----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:31:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.571090105000001 2.571090105000001 5.726659995000000 b 2.571090105000001 -2.571090105000001 5.726659995000000 c 2.571090105000001 2.571090105000001 -5.726659995000000 Atomic positions (fractional): *1 O 0.73110266251561 0.32502722902148 0.89627764896649 15.999 2 O 0.58482501354912 0.98110266251561 0.90607543349413 15.999 3 O 0.07502722902148 0.67874958005498 0.09392456650587 15.999 4 O 0.42874958005498 0.83482501354912 0.10372235103351 15.999 5 O 0.32125041994502 0.41517498645088 0.39627764896649 15.999 6 O 0.67497277097852 0.57125041994502 0.40607543349413 15.999 7 O 0.16517498645088 0.26889733748439 0.59392456650587 15.999 8 O 0.01889733748439 0.92497277097852 0.60372235103351 15.999 *9 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 *11 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 12 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.142180210000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.142180210000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.453319990000001 Atomic positions (fractional): *1 O 0.24510110773618 0.65117654123031 0.07992612128530 15.999 > 1 2 O 0.65117654123031 0.25489889226382 0.32992612128530 15.999 > 2 3 O 0.34882345876969 0.74510110773618 0.32992612128530 15.999 > 3 4 O 0.75489889226382 0.34882345876969 0.07992612128530 15.999 > 4 5 O 0.24510110773618 0.15117654123031 0.17007387871470 15.999 > 5 6 O 0.15117654123031 0.25489889226382 0.42007387871470 15.999 > 6 7 O 0.84882345876969 0.74510110773618 0.42007387871470 15.999 > 7 8 O 0.75489889226382 0.84882345876969 0.17007387871470 15.999 > 8 9 O 0.74510110773618 0.15117654123031 0.57992612128530 15.999 > 1 10 O 0.15117654123031 0.75489889226382 0.82992612128530 15.999 > 2 11 O 0.84882345876969 0.24510110773618 0.82992612128530 15.999 > 3 12 O 0.25489889226382 0.84882345876969 0.57992612128530 15.999 > 4 13 O 0.74510110773618 0.65117654123031 0.67007387871470 15.999 > 5 14 O 0.65117654123031 0.75489889226382 0.92007387871470 15.999 > 6 15 O 0.34882345876969 0.24510110773618 0.92007387871470 15.999 > 7 16 O 0.25489889226382 0.34882345876969 0.67007387871470 15.999 > 8 *17 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 9 18 Ge 0.50000000000000 0.00000000000000 0.25000000000000 72.640 > 10 19 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 9 20 Ge 0.00000000000000 0.50000000000000 0.75000000000000 72.640 > 10 *21 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 11 22 Th 0.00000000000000 0.50000000000000 0.25000000000000 232.038 > 12 23 Th 0.50000000000000 0.50000000000000 0.50000000000000 232.038 > 11 24 Th 0.50000000000000 0.00000000000000 0.75000000000000 232.038 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.284360420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.284360420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.453319990000001 Atomic positions (fractional): *1 O 0.12255055386809 0.32558827061516 0.07992612128530 15.999 > 1 2 O 0.62255055386809 0.32558827061516 0.07992612128530 15.999 > 1 3 O 0.12255055386809 0.82558827061516 0.07992612128530 15.999 > 1 4 O 0.62255055386809 0.82558827061516 0.07992612128530 15.999 > 1 5 O 0.32558827061516 0.12744944613191 0.32992612128530 15.999 > 2 6 O 0.82558827061516 0.12744944613191 0.32992612128530 15.999 > 2 7 O 0.32558827061516 0.62744944613191 0.32992612128530 15.999 > 2 8 O 0.82558827061516 0.62744944613191 0.32992612128530 15.999 > 2 9 O 0.17441172938484 0.37255055386809 0.32992612128530 15.999 > 3 10 O 0.67441172938484 0.37255055386809 0.32992612128530 15.999 > 3 11 O 0.17441172938484 0.87255055386809 0.32992612128530 15.999 > 3 12 O 0.67441172938484 0.87255055386809 0.32992612128530 15.999 > 3 13 O 0.37744944613191 0.17441172938484 0.07992612128530 15.999 > 4 14 O 0.87744944613191 0.17441172938484 0.07992612128530 15.999 > 4 15 O 0.37744944613191 0.67441172938484 0.07992612128530 15.999 > 4 16 O 0.87744944613191 0.67441172938484 0.07992612128530 15.999 > 4 17 O 0.12255055386809 0.07558827061516 0.17007387871470 15.999 > 5 18 O 0.62255055386809 0.07558827061516 0.17007387871470 15.999 > 5 19 O 0.12255055386809 0.57558827061516 0.17007387871470 15.999 > 5 20 O 0.62255055386809 0.57558827061516 0.17007387871470 15.999 > 5 21 O 0.07558827061516 0.12744944613191 0.42007387871470 15.999 > 6 22 O 0.57558827061516 0.12744944613191 0.42007387871470 15.999 > 6 23 O 0.07558827061516 0.62744944613191 0.42007387871470 15.999 > 6 24 O 0.57558827061516 0.62744944613191 0.42007387871470 15.999 > 6 25 O 0.42441172938484 0.37255055386809 0.42007387871470 15.999 > 7 26 O 0.92441172938484 0.37255055386809 0.42007387871470 15.999 > 7 27 O 0.42441172938484 0.87255055386809 0.42007387871470 15.999 > 7 28 O 0.92441172938484 0.87255055386809 0.42007387871470 15.999 > 7 29 O 0.37744944613191 0.42441172938484 0.17007387871470 15.999 > 8 30 O 0.87744944613191 0.42441172938484 0.17007387871470 15.999 > 8 31 O 0.37744944613191 0.92441172938484 0.17007387871470 15.999 > 8 32 O 0.87744944613191 0.92441172938484 0.17007387871470 15.999 > 8 33 O 0.37255055386809 0.07558827061516 0.57992612128530 15.999 > 1 34 O 0.87255055386809 0.07558827061516 0.57992612128530 15.999 > 1 35 O 0.37255055386809 0.57558827061516 0.57992612128530 15.999 > 1 36 O 0.87255055386809 0.57558827061516 0.57992612128530 15.999 > 1 37 O 0.07558827061516 0.37744944613191 0.82992612128530 15.999 > 2 38 O 0.57558827061516 0.37744944613191 0.82992612128530 15.999 > 2 39 O 0.07558827061516 0.87744944613191 0.82992612128530 15.999 > 2 40 O 0.57558827061516 0.87744944613191 0.82992612128530 15.999 > 2 41 O 0.42441172938484 0.12255055386809 0.82992612128530 15.999 > 3 42 O 0.92441172938484 0.12255055386809 0.82992612128530 15.999 > 3 43 O 0.42441172938484 0.62255055386809 0.82992612128530 15.999 > 3 44 O 0.92441172938484 0.62255055386809 0.82992612128530 15.999 > 3 45 O 0.12744944613191 0.42441172938484 0.57992612128530 15.999 > 4 46 O 0.62744944613191 0.42441172938484 0.57992612128530 15.999 > 4 47 O 0.12744944613191 0.92441172938484 0.57992612128530 15.999 > 4 48 O 0.62744944613191 0.92441172938484 0.57992612128530 15.999 > 4 49 O 0.37255055386809 0.32558827061516 0.67007387871470 15.999 > 5 50 O 0.87255055386809 0.32558827061516 0.67007387871470 15.999 > 5 51 O 0.37255055386809 0.82558827061516 0.67007387871470 15.999 > 5 52 O 0.87255055386809 0.82558827061516 0.67007387871470 15.999 > 5 53 O 0.32558827061516 0.37744944613191 0.92007387871470 15.999 > 6 54 O 0.82558827061516 0.37744944613191 0.92007387871470 15.999 > 6 55 O 0.32558827061516 0.87744944613191 0.92007387871470 15.999 > 6 56 O 0.82558827061516 0.87744944613191 0.92007387871470 15.999 > 6 57 O 0.17441172938484 0.12255055386809 0.92007387871470 15.999 > 7 58 O 0.67441172938484 0.12255055386809 0.92007387871470 15.999 > 7 59 O 0.17441172938484 0.62255055386809 0.92007387871470 15.999 > 7 60 O 0.67441172938484 0.62255055386809 0.92007387871470 15.999 > 7 61 O 0.12744944613191 0.17441172938484 0.67007387871470 15.999 > 8 62 O 0.62744944613191 0.17441172938484 0.67007387871470 15.999 > 8 63 O 0.12744944613191 0.67441172938484 0.67007387871470 15.999 > 8 64 O 0.62744944613191 0.67441172938484 0.67007387871470 15.999 > 8 *65 Ge 0.25000000000000 0.25000000000000 0.00000000000000 72.640 > 9 66 Ge 0.75000000000000 0.25000000000000 0.00000000000000 72.640 > 9 67 Ge 0.25000000000000 0.75000000000000 0.00000000000000 72.640 > 9 68 Ge 0.75000000000000 0.75000000000000 0.00000000000000 72.640 > 9 69 Ge 0.25000000000000 0.00000000000000 0.25000000000000 72.640 > 10 70 Ge 0.75000000000000 0.00000000000000 0.25000000000000 72.640 > 10 71 Ge 0.25000000000000 0.50000000000000 0.25000000000000 72.640 > 10 72 Ge 0.75000000000000 0.50000000000000 0.25000000000000 72.640 > 10 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 9 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 9 75 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 9 76 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 9 77 Ge 0.00000000000000 0.25000000000000 0.75000000000000 72.640 > 10 78 Ge 0.50000000000000 0.25000000000000 0.75000000000000 72.640 > 10 79 Ge 0.00000000000000 0.75000000000000 0.75000000000000 72.640 > 10 80 Ge 0.50000000000000 0.75000000000000 0.75000000000000 72.640 > 10 *81 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 11 82 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 11 83 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 11 84 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 11 85 Th 0.00000000000000 0.25000000000000 0.25000000000000 232.038 > 12 86 Th 0.50000000000000 0.25000000000000 0.25000000000000 232.038 > 12 87 Th 0.00000000000000 0.75000000000000 0.25000000000000 232.038 > 12 88 Th 0.50000000000000 0.75000000000000 0.25000000000000 232.038 > 12 89 Th 0.25000000000000 0.25000000000000 0.50000000000000 232.038 > 11 90 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 > 11 91 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 > 11 92 Th 0.75000000000000 0.75000000000000 0.50000000000000 232.038 > 11 93 Th 0.25000000000000 0.00000000000000 0.75000000000000 232.038 > 12 94 Th 0.75000000000000 0.00000000000000 0.75000000000000 232.038 > 12 95 Th 0.25000000000000 0.50000000000000 0.75000000000000 232.038 > 12 96 Th 0.75000000000000 0.50000000000000 0.75000000000000 232.038 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4415751 -0.0000438 0.0000000 0.0000438 4.4415751 0.0000000 0.0000000 0.0000000 4.4527334 -------------------------- Born effective charges -------------------------- 1 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 2 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 3 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 4 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 5 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 6 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 7 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 8 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 9 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 10 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 11 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 12 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.583 Solver_block: 200 / 240 - Time: 0.563 Solver_block: 240 / 240 - Time: 0.331 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.582 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:31:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:31:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.571090105000001 2.571090105000001 5.726659995000000 b 2.571090105000001 -2.571090105000001 5.726659995000000 c 2.571090105000001 2.571090105000001 -5.726659995000000 Atomic positions (fractional): 1 O 0.73110266251561 0.32502722902148 0.89627764896649 15.999 2 O 0.58482501354912 0.98110266251561 0.90607543349413 15.999 3 O 0.07502722902148 0.67874958005498 0.09392456650587 15.999 4 O 0.42874958005498 0.83482501354912 0.10372235103351 15.999 5 O 0.32125041994502 0.41517498645088 0.39627764896649 15.999 6 O 0.67497277097852 0.57125041994502 0.40607543349413 15.999 7 O 0.16517498645088 0.26889733748439 0.59392456650587 15.999 8 O 0.01889733748439 0.92497277097852 0.60372235103351 15.999 9 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 11 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 12 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.284360420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.284360420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.453319990000001 Atomic positions (fractional): 1 O 0.12255055386809 0.32558827061516 0.07992612128530 15.999 > 1 2 O 0.62255055386809 0.32558827061516 0.07992612128530 15.999 > 1 3 O 0.12255055386809 0.82558827061516 0.07992612128530 15.999 > 1 4 O 0.62255055386809 0.82558827061516 0.07992612128530 15.999 > 1 5 O 0.32558827061516 0.12744944613191 0.32992612128530 15.999 > 5 6 O 0.82558827061516 0.12744944613191 0.32992612128530 15.999 > 5 7 O 0.32558827061516 0.62744944613191 0.32992612128530 15.999 > 5 8 O 0.82558827061516 0.62744944613191 0.32992612128530 15.999 > 5 9 O 0.17441172938484 0.37255055386809 0.32992612128530 15.999 > 9 10 O 0.67441172938484 0.37255055386809 0.32992612128530 15.999 > 9 11 O 0.17441172938484 0.87255055386809 0.32992612128530 15.999 > 9 12 O 0.67441172938484 0.87255055386809 0.32992612128530 15.999 > 9 13 O 0.37744944613191 0.17441172938484 0.07992612128530 15.999 > 13 14 O 0.87744944613191 0.17441172938484 0.07992612128530 15.999 > 13 15 O 0.37744944613191 0.67441172938484 0.07992612128530 15.999 > 13 16 O 0.87744944613191 0.67441172938484 0.07992612128530 15.999 > 13 17 O 0.12255055386809 0.07558827061516 0.17007387871470 15.999 > 17 18 O 0.62255055386809 0.07558827061516 0.17007387871470 15.999 > 17 19 O 0.12255055386809 0.57558827061516 0.17007387871470 15.999 > 17 20 O 0.62255055386809 0.57558827061516 0.17007387871470 15.999 > 17 21 O 0.07558827061516 0.12744944613191 0.42007387871470 15.999 > 21 22 O 0.57558827061516 0.12744944613191 0.42007387871470 15.999 > 21 23 O 0.07558827061516 0.62744944613191 0.42007387871470 15.999 > 21 24 O 0.57558827061516 0.62744944613191 0.42007387871470 15.999 > 21 25 O 0.42441172938484 0.37255055386809 0.42007387871470 15.999 > 25 26 O 0.92441172938484 0.37255055386809 0.42007387871470 15.999 > 25 27 O 0.42441172938484 0.87255055386809 0.42007387871470 15.999 > 25 28 O 0.92441172938484 0.87255055386809 0.42007387871470 15.999 > 25 29 O 0.37744944613191 0.42441172938484 0.17007387871470 15.999 > 29 30 O 0.87744944613191 0.42441172938484 0.17007387871470 15.999 > 29 31 O 0.37744944613191 0.92441172938484 0.17007387871470 15.999 > 29 32 O 0.87744944613191 0.92441172938484 0.17007387871470 15.999 > 29 33 O 0.37255055386809 0.07558827061516 0.57992612128530 15.999 > 1 34 O 0.87255055386809 0.07558827061516 0.57992612128530 15.999 > 1 35 O 0.37255055386809 0.57558827061516 0.57992612128530 15.999 > 1 36 O 0.87255055386809 0.57558827061516 0.57992612128530 15.999 > 1 37 O 0.07558827061516 0.37744944613191 0.82992612128530 15.999 > 5 38 O 0.57558827061516 0.37744944613191 0.82992612128530 15.999 > 5 39 O 0.07558827061516 0.87744944613191 0.82992612128530 15.999 > 5 40 O 0.57558827061516 0.87744944613191 0.82992612128530 15.999 > 5 41 O 0.42441172938484 0.12255055386809 0.82992612128530 15.999 > 9 42 O 0.92441172938484 0.12255055386809 0.82992612128530 15.999 > 9 43 O 0.42441172938484 0.62255055386809 0.82992612128530 15.999 > 9 44 O 0.92441172938484 0.62255055386809 0.82992612128530 15.999 > 9 45 O 0.12744944613191 0.42441172938484 0.57992612128530 15.999 > 13 46 O 0.62744944613191 0.42441172938484 0.57992612128530 15.999 > 13 47 O 0.12744944613191 0.92441172938484 0.57992612128530 15.999 > 13 48 O 0.62744944613191 0.92441172938484 0.57992612128530 15.999 > 13 49 O 0.37255055386809 0.32558827061516 0.67007387871470 15.999 > 17 50 O 0.87255055386809 0.32558827061516 0.67007387871470 15.999 > 17 51 O 0.37255055386809 0.82558827061516 0.67007387871470 15.999 > 17 52 O 0.87255055386809 0.82558827061516 0.67007387871470 15.999 > 17 53 O 0.32558827061516 0.37744944613191 0.92007387871470 15.999 > 21 54 O 0.82558827061516 0.37744944613191 0.92007387871470 15.999 > 21 55 O 0.32558827061516 0.87744944613191 0.92007387871470 15.999 > 21 56 O 0.82558827061516 0.87744944613191 0.92007387871470 15.999 > 21 57 O 0.17441172938484 0.12255055386809 0.92007387871470 15.999 > 25 58 O 0.67441172938484 0.12255055386809 0.92007387871470 15.999 > 25 59 O 0.17441172938484 0.62255055386809 0.92007387871470 15.999 > 25 60 O 0.67441172938484 0.62255055386809 0.92007387871470 15.999 > 25 61 O 0.12744944613191 0.17441172938484 0.67007387871470 15.999 > 29 62 O 0.62744944613191 0.17441172938484 0.67007387871470 15.999 > 29 63 O 0.12744944613191 0.67441172938484 0.67007387871470 15.999 > 29 64 O 0.62744944613191 0.67441172938484 0.67007387871470 15.999 > 29 65 Ge 0.25000000000000 0.25000000000000 0.00000000000000 72.640 > 65 66 Ge 0.75000000000000 0.25000000000000 0.00000000000000 72.640 > 65 67 Ge 0.25000000000000 0.75000000000000 0.00000000000000 72.640 > 65 68 Ge 0.75000000000000 0.75000000000000 0.00000000000000 72.640 > 65 69 Ge 0.25000000000000 0.00000000000000 0.25000000000000 72.640 > 69 70 Ge 0.75000000000000 0.00000000000000 0.25000000000000 72.640 > 69 71 Ge 0.25000000000000 0.50000000000000 0.25000000000000 72.640 > 69 72 Ge 0.75000000000000 0.50000000000000 0.25000000000000 72.640 > 69 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 65 76 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 65 77 Ge 0.00000000000000 0.25000000000000 0.75000000000000 72.640 > 69 78 Ge 0.50000000000000 0.25000000000000 0.75000000000000 72.640 > 69 79 Ge 0.00000000000000 0.75000000000000 0.75000000000000 72.640 > 69 80 Ge 0.50000000000000 0.75000000000000 0.75000000000000 72.640 > 69 81 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 81 82 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 81 83 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 81 84 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 81 85 Th 0.00000000000000 0.25000000000000 0.25000000000000 232.038 > 85 86 Th 0.50000000000000 0.25000000000000 0.25000000000000 232.038 > 85 87 Th 0.00000000000000 0.75000000000000 0.25000000000000 232.038 > 85 88 Th 0.50000000000000 0.75000000000000 0.25000000000000 232.038 > 85 89 Th 0.25000000000000 0.25000000000000 0.50000000000000 232.038 > 81 90 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 > 81 91 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 > 81 92 Th 0.75000000000000 0.75000000000000 0.50000000000000 232.038 > 81 93 Th 0.25000000000000 0.00000000000000 0.75000000000000 232.038 > 85 94 Th 0.75000000000000 0.00000000000000 0.75000000000000 232.038 > 85 95 Th 0.25000000000000 0.50000000000000 0.75000000000000 232.038 > 85 96 Th 0.75000000000000 0.50000000000000 0.75000000000000 232.038 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4415751 -0.0000438 0.0000000 0.0000438 4.4415751 0.0000000 0.0000000 0.0000000 4.4527334 -------------------------- Born effective charges -------------------------- 1 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 2 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 3 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 4 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 5 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 6 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 7 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 8 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 9 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 10 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 11 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 12 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (xy) -0.00000007 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:31:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:31:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.571090105000001 2.571090105000001 5.726659995000000 b 2.571090105000001 -2.571090105000001 5.726659995000000 c 2.571090105000001 2.571090105000001 -5.726659995000000 Atomic positions (fractional): 1 O 0.73110266251561 0.32502722902148 0.89627764896649 15.999 2 O 0.58482501354912 0.98110266251561 0.90607543349413 15.999 3 O 0.07502722902148 0.67874958005498 0.09392456650587 15.999 4 O 0.42874958005498 0.83482501354912 0.10372235103351 15.999 5 O 0.32125041994502 0.41517498645088 0.39627764896649 15.999 6 O 0.67497277097852 0.57125041994502 0.40607543349413 15.999 7 O 0.16517498645088 0.26889733748439 0.59392456650587 15.999 8 O 0.01889733748439 0.92497277097852 0.60372235103351 15.999 9 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.75000000000000 0.50000000000000 72.640 11 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 12 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.284360420000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.284360420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.453319990000001 Atomic positions (fractional): 1 O 0.12255055386809 0.32558827061516 0.07992612128530 15.999 > 1 2 O 0.62255055386809 0.32558827061516 0.07992612128530 15.999 > 1 3 O 0.12255055386809 0.82558827061516 0.07992612128530 15.999 > 1 4 O 0.62255055386809 0.82558827061516 0.07992612128530 15.999 > 1 5 O 0.32558827061516 0.12744944613191 0.32992612128530 15.999 > 5 6 O 0.82558827061516 0.12744944613191 0.32992612128530 15.999 > 5 7 O 0.32558827061516 0.62744944613191 0.32992612128530 15.999 > 5 8 O 0.82558827061516 0.62744944613191 0.32992612128530 15.999 > 5 9 O 0.17441172938484 0.37255055386809 0.32992612128530 15.999 > 9 10 O 0.67441172938484 0.37255055386809 0.32992612128530 15.999 > 9 11 O 0.17441172938484 0.87255055386809 0.32992612128530 15.999 > 9 12 O 0.67441172938484 0.87255055386809 0.32992612128530 15.999 > 9 13 O 0.37744944613191 0.17441172938484 0.07992612128530 15.999 > 13 14 O 0.87744944613191 0.17441172938484 0.07992612128530 15.999 > 13 15 O 0.37744944613191 0.67441172938484 0.07992612128530 15.999 > 13 16 O 0.87744944613191 0.67441172938484 0.07992612128530 15.999 > 13 17 O 0.12255055386809 0.07558827061516 0.17007387871470 15.999 > 17 18 O 0.62255055386809 0.07558827061516 0.17007387871470 15.999 > 17 19 O 0.12255055386809 0.57558827061516 0.17007387871470 15.999 > 17 20 O 0.62255055386809 0.57558827061516 0.17007387871470 15.999 > 17 21 O 0.07558827061516 0.12744944613191 0.42007387871470 15.999 > 21 22 O 0.57558827061516 0.12744944613191 0.42007387871470 15.999 > 21 23 O 0.07558827061516 0.62744944613191 0.42007387871470 15.999 > 21 24 O 0.57558827061516 0.62744944613191 0.42007387871470 15.999 > 21 25 O 0.42441172938484 0.37255055386809 0.42007387871470 15.999 > 25 26 O 0.92441172938484 0.37255055386809 0.42007387871470 15.999 > 25 27 O 0.42441172938484 0.87255055386809 0.42007387871470 15.999 > 25 28 O 0.92441172938484 0.87255055386809 0.42007387871470 15.999 > 25 29 O 0.37744944613191 0.42441172938484 0.17007387871470 15.999 > 29 30 O 0.87744944613191 0.42441172938484 0.17007387871470 15.999 > 29 31 O 0.37744944613191 0.92441172938484 0.17007387871470 15.999 > 29 32 O 0.87744944613191 0.92441172938484 0.17007387871470 15.999 > 29 33 O 0.37255055386809 0.07558827061516 0.57992612128530 15.999 > 1 34 O 0.87255055386809 0.07558827061516 0.57992612128530 15.999 > 1 35 O 0.37255055386809 0.57558827061516 0.57992612128530 15.999 > 1 36 O 0.87255055386809 0.57558827061516 0.57992612128530 15.999 > 1 37 O 0.07558827061516 0.37744944613191 0.82992612128530 15.999 > 5 38 O 0.57558827061516 0.37744944613191 0.82992612128530 15.999 > 5 39 O 0.07558827061516 0.87744944613191 0.82992612128530 15.999 > 5 40 O 0.57558827061516 0.87744944613191 0.82992612128530 15.999 > 5 41 O 0.42441172938484 0.12255055386809 0.82992612128530 15.999 > 9 42 O 0.92441172938484 0.12255055386809 0.82992612128530 15.999 > 9 43 O 0.42441172938484 0.62255055386809 0.82992612128530 15.999 > 9 44 O 0.92441172938484 0.62255055386809 0.82992612128530 15.999 > 9 45 O 0.12744944613191 0.42441172938484 0.57992612128530 15.999 > 13 46 O 0.62744944613191 0.42441172938484 0.57992612128530 15.999 > 13 47 O 0.12744944613191 0.92441172938484 0.57992612128530 15.999 > 13 48 O 0.62744944613191 0.92441172938484 0.57992612128530 15.999 > 13 49 O 0.37255055386809 0.32558827061516 0.67007387871470 15.999 > 17 50 O 0.87255055386809 0.32558827061516 0.67007387871470 15.999 > 17 51 O 0.37255055386809 0.82558827061516 0.67007387871470 15.999 > 17 52 O 0.87255055386809 0.82558827061516 0.67007387871470 15.999 > 17 53 O 0.32558827061516 0.37744944613191 0.92007387871470 15.999 > 21 54 O 0.82558827061516 0.37744944613191 0.92007387871470 15.999 > 21 55 O 0.32558827061516 0.87744944613191 0.92007387871470 15.999 > 21 56 O 0.82558827061516 0.87744944613191 0.92007387871470 15.999 > 21 57 O 0.17441172938484 0.12255055386809 0.92007387871470 15.999 > 25 58 O 0.67441172938484 0.12255055386809 0.92007387871470 15.999 > 25 59 O 0.17441172938484 0.62255055386809 0.92007387871470 15.999 > 25 60 O 0.67441172938484 0.62255055386809 0.92007387871470 15.999 > 25 61 O 0.12744944613191 0.17441172938484 0.67007387871470 15.999 > 29 62 O 0.62744944613191 0.17441172938484 0.67007387871470 15.999 > 29 63 O 0.12744944613191 0.67441172938484 0.67007387871470 15.999 > 29 64 O 0.62744944613191 0.67441172938484 0.67007387871470 15.999 > 29 65 Ge 0.25000000000000 0.25000000000000 0.00000000000000 72.640 > 65 66 Ge 0.75000000000000 0.25000000000000 0.00000000000000 72.640 > 65 67 Ge 0.25000000000000 0.75000000000000 0.00000000000000 72.640 > 65 68 Ge 0.75000000000000 0.75000000000000 0.00000000000000 72.640 > 65 69 Ge 0.25000000000000 0.00000000000000 0.25000000000000 72.640 > 69 70 Ge 0.75000000000000 0.00000000000000 0.25000000000000 72.640 > 69 71 Ge 0.25000000000000 0.50000000000000 0.25000000000000 72.640 > 69 72 Ge 0.75000000000000 0.50000000000000 0.25000000000000 72.640 > 69 73 Ge 0.00000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 65 76 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 65 77 Ge 0.00000000000000 0.25000000000000 0.75000000000000 72.640 > 69 78 Ge 0.50000000000000 0.25000000000000 0.75000000000000 72.640 > 69 79 Ge 0.00000000000000 0.75000000000000 0.75000000000000 72.640 > 69 80 Ge 0.50000000000000 0.75000000000000 0.75000000000000 72.640 > 69 81 Th 0.00000000000000 0.00000000000000 0.00000000000000 232.038 > 81 82 Th 0.50000000000000 0.00000000000000 0.00000000000000 232.038 > 81 83 Th 0.00000000000000 0.50000000000000 0.00000000000000 232.038 > 81 84 Th 0.50000000000000 0.50000000000000 0.00000000000000 232.038 > 81 85 Th 0.00000000000000 0.25000000000000 0.25000000000000 232.038 > 85 86 Th 0.50000000000000 0.25000000000000 0.25000000000000 232.038 > 85 87 Th 0.00000000000000 0.75000000000000 0.25000000000000 232.038 > 85 88 Th 0.50000000000000 0.75000000000000 0.25000000000000 232.038 > 85 89 Th 0.25000000000000 0.25000000000000 0.50000000000000 232.038 > 81 90 Th 0.75000000000000 0.25000000000000 0.50000000000000 232.038 > 81 91 Th 0.25000000000000 0.75000000000000 0.50000000000000 232.038 > 81 92 Th 0.75000000000000 0.75000000000000 0.50000000000000 232.038 > 81 93 Th 0.25000000000000 0.00000000000000 0.75000000000000 232.038 > 85 94 Th 0.75000000000000 0.00000000000000 0.75000000000000 232.038 > 85 95 Th 0.25000000000000 0.50000000000000 0.75000000000000 232.038 > 85 96 Th 0.75000000000000 0.50000000000000 0.75000000000000 232.038 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4415751 -0.0000438 0.0000000 0.0000438 4.4415751 0.0000000 0.0000000 0.0000000 4.4527334 -------------------------- Born effective charges -------------------------- 1 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 2 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 3 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 4 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 5 O -2.4528210 0.5995295 -0.5200814 0.5863044 -2.3350318 -0.3383685 -0.5727675 -0.2559251 -2.3965097 6 O -2.3350318 -0.5863044 -0.3383685 -0.5995295 -2.4528210 0.5200814 -0.2559251 0.5727675 -2.3965097 7 O -2.3350318 -0.5863044 0.3383685 -0.5995295 -2.4528210 -0.5200814 0.2559251 -0.5727675 -2.3965097 8 O -2.4528210 0.5995295 0.5200814 0.5863044 -2.3350318 0.3383685 0.5727675 0.2559251 -2.3965097 9 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 10 Ge 3.9916956 -0.0571236 0.0000000 0.0571236 3.9916956 0.0000000 0.0000000 0.0000000 3.3750330 11 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 12 Th 5.5840100 0.0306734 0.0000000 -0.0306734 5.5840100 0.0000000 0.0000000 0.0000000 6.2110060 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 10 40 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 4 4 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.78, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/131) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 131 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 3.352 ( -0.000 0.000 0.000) 0.000 3.352 ( -0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 -0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 5.572 ( -0.000 0.000 -0.000) 0.000 5.572 ( 0.000 -0.000 0.000) 0.000 6.348 ( 0.000 -0.000 0.000) 0.000 7.278 ( 0.000 -0.000 -0.000) 0.000 7.279 ( -0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.672 ( -0.000 0.000 0.000) 0.000 8.896 ( 0.000 -0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 -0.000) 0.000 9.518 ( -0.000 -0.000 0.000) 0.000 10.417 ( -0.000 0.000 -0.000) 0.000 10.417 ( -0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 0.000 0.000) 0.000 12.048 ( 0.000 -0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 -0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 18.877 ( 0.000 0.000 0.000) 0.000 19.141 ( 0.000 -0.000 0.000) 0.000 19.256 ( 0.000 0.000 0.000) 0.000 19.256 ( 0.000 0.000 0.000) 0.000 20.138 ( 0.000 0.000 0.000) 0.000 20.138 ( 0.000 -0.000 0.000) 0.000 21.667 ( 0.000 0.000 0.000) 0.000 22.404 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/131) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.000 0.000 0.000) 0.000 2.618 ( -0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 3.371 ( -0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.330 ( -0.000 0.000 -0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.075 ( -0.000 0.000 0.000) 0.000 6.407 ( 0.000 0.000 0.000) 0.000 6.840 ( -0.000 0.000 0.000) 0.000 7.382 ( -0.000 0.000 0.000) 0.000 8.144 ( -0.000 0.000 -0.000) 0.000 8.166 ( 0.000 -0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.170 ( -0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 -0.000 0.000) 0.000 11.031 ( -0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.555 ( -0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 13.834 ( 0.000 0.000 -0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 18.661 ( -0.000 0.000 0.000) 0.000 18.824 ( -0.000 0.000 0.000) 0.000 19.729 ( 0.000 0.000 0.000) 0.000 19.866 ( -0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 22.016 ( -0.000 0.000 0.000) 0.000 22.123 ( -0.000 0.000 0.000) 0.000 22.791 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/131) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 3.488 -11.636 -10.749) 16.220 2.396 ( -3.432 -12.111 -8.681) 15.291 2.862 ( -2.588 3.038 4.683) 6.153 3.321 ( -4.484 -2.175 4.554) 6.751 3.731 ( 4.032 4.617 -1.383) 6.284 4.318 ( -6.822 -14.563 -9.621) 18.740 4.935 ( -2.149 -1.373 9.291) 9.635 5.020 ( -0.271 -0.484 9.410) 9.426 5.270 ( 4.595 -14.959 1.791) 15.751 5.481 ( -1.490 4.465 -9.083) 10.230 5.950 ( 4.195 -6.879 1.601) 8.215 6.109 ( 8.443 -8.511 0.770) 12.013 6.510 ( 1.075 9.911 1.451) 10.074 6.906 ( -6.106 11.949 3.056) 13.763 7.362 ( -2.450 2.406 3.855) 5.162 8.103 ( 0.409 -1.747 2.896) 3.407 8.453 ( 8.649 8.706 -7.614) 14.442 9.067 ( 0.363 -4.927 -0.086) 4.941 9.203 ( 1.469 6.015 3.520) 7.123 9.740 ( 1.030 6.347 -9.588) 11.545 10.687 ( -17.501 -10.725 -3.813) 20.877 10.790 ( 1.588 -1.492 2.497) 3.314 11.662 ( 7.601 3.480 -6.963) 10.880 12.307 ( 0.300 -1.735 5.021) 5.321 12.587 ( 5.258 -5.700 -0.081) 7.755 12.761 ( 1.939 4.829 6.605) 8.409 13.831 ( -6.869 6.997 -1.901) 9.987 14.778 ( -13.471 9.112 -1.645) 16.346 18.602 ( -4.499 2.147 -2.036) 5.385 18.947 ( 11.168 -2.534 5.393) 12.658 19.751 ( -3.103 3.320 -2.150) 5.028 19.875 ( -1.244 3.291 -0.061) 3.519 20.761 ( 4.605 -3.137 -10.493) 11.880 21.969 ( -1.597 -2.200 -0.654) 2.796 22.160 ( 1.156 1.647 1.296) 2.393 22.677 ( -7.069 -3.417 11.082) 13.581 ======================= Grid point 4 (4/131) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.507 33.993 -0.000) 33.997 0.817 ( 20.814 20.858 -0.000) 29.467 1.650 ( 46.666 31.600 0.000) 56.359 3.285 ( -3.573 -2.897 -0.000) 4.599 3.502 ( 5.918 6.188 -0.000) 8.562 3.616 ( 1.072 0.579 0.000) 1.218 4.599 ( 5.183 6.357 -0.000) 8.202 4.773 ( 2.060 1.664 0.000) 2.648 5.447 ( -4.840 -5.195 0.000) 7.101 5.675 ( 4.543 5.202 -0.000) 6.907 5.919 ( -1.227 0.165 -0.000) 1.238 6.339 ( -0.509 1.172 -0.000) 1.277 7.101 ( -4.159 -4.815 0.000) 6.362 7.325 ( -0.955 1.275 -0.000) 1.593 7.667 ( -1.989 -1.057 -0.000) 2.252 7.882 ( 7.571 -0.551 0.000) 7.591 8.493 ( -14.269 -15.935 0.000) 21.390 9.186 ( 1.295 1.591 -0.000) 2.051 9.321 ( 5.388 5.201 0.000) 7.488 9.525 ( 0.887 0.237 0.000) 0.918 10.057 ( -3.319 -15.185 0.000) 15.544 10.782 ( -0.783 18.541 -0.000) 18.557 11.967 ( -5.663 -2.399 -0.000) 6.150 12.138 ( 5.826 2.482 0.000) 6.333 12.928 ( -1.414 -1.159 -0.000) 1.828 13.083 ( 1.732 0.739 0.000) 1.883 13.412 ( -2.091 -3.997 0.000) 4.511 15.757 ( -11.314 -10.895 -0.000) 15.707 18.892 ( 1.798 0.712 0.000) 1.934 19.031 ( -13.099 6.136 -0.000) 14.465 19.379 ( 13.023 -4.887 0.000) 13.910 20.021 ( -4.851 -5.939 0.000) 7.669 20.241 ( 3.684 5.678 -0.000) 6.768 21.739 ( 3.143 3.221 -0.000) 4.501 22.355 ( -2.268 -2.379 0.000) 3.287 23.208 ( -0.918 -2.422 0.000) 2.590 ======================= Grid point 5 (5/131) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -0.505 27.690 -0.000) 27.695 1.603 ( 18.947 19.395 -0.000) 27.114 2.917 ( 31.984 17.055 0.000) 36.247 3.128 ( -5.042 -3.637 -0.000) 6.217 3.621 ( -3.571 -0.474 -0.000) 3.602 3.672 ( 1.852 2.205 -0.000) 2.880 4.866 ( 2.525 0.981 0.000) 2.709 4.964 ( 10.198 15.603 -0.000) 18.640 5.368 ( 4.085 3.171 0.000) 5.171 5.701 ( -9.669 -10.965 0.000) 14.619 5.905 ( 4.912 7.753 -0.000) 9.178 6.279 ( -3.108 -6.751 0.000) 7.432 7.065 ( -4.239 6.518 -0.000) 7.775 7.378 ( -19.212 -9.883 -0.000) 21.605 7.410 ( 7.142 5.817 0.000) 9.211 7.987 ( -0.741 -16.081 0.000) 16.099 7.993 ( 8.586 -3.468 0.000) 9.260 9.216 ( -4.678 4.619 -0.000) 6.574 9.518 ( 7.667 0.760 0.000) 7.704 9.565 ( 6.154 -4.160 0.000) 7.428 9.740 ( -8.644 -3.891 -0.000) 9.479 11.124 ( 0.154 17.589 -0.000) 17.590 11.756 ( -9.537 -3.443 -0.000) 10.140 12.316 ( 8.129 0.201 0.000) 8.132 12.877 ( -1.804 0.238 -0.000) 1.820 13.077 ( -7.593 1.932 -0.000) 7.835 13.317 ( 7.359 -7.958 0.000) 10.839 15.156 ( -19.923 -17.832 -0.000) 26.738 18.912 ( -12.289 7.381 -0.000) 14.336 18.999 ( 7.126 0.986 0.000) 7.194 19.529 ( 12.376 -5.374 0.000) 13.492 19.779 ( -6.137 -6.339 0.000) 8.823 20.448 ( 2.481 8.606 -0.000) 8.956 21.868 ( 2.675 3.312 -0.000) 4.257 22.245 ( -2.644 -3.469 0.000) 4.362 23.069 ( -4.446 -7.385 0.000) 8.620 ======================= Grid point 6 (6/131) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 4.127 -11.127 -16.373) 20.222 2.218 ( 8.788 -12.011 -8.305) 17.043 2.853 ( -4.287 3.228 6.390) 8.344 3.193 ( -4.455 2.657 6.079) 7.991 3.771 ( -0.058 -7.842 -1.266) 7.944 4.028 ( -0.123 -4.826 -16.123) 16.830 4.850 ( 1.215 -5.086 7.936) 9.504 4.940 ( -2.385 -3.063 12.017) 12.629 5.145 ( 6.754 -7.673 1.919) 10.401 5.538 ( 5.874 -3.064 -3.393) 7.444 5.954 ( 6.143 -4.394 3.569) 8.354 6.122 ( 6.382 -6.704 1.016) 9.311 6.750 ( 5.029 7.747 6.779) 11.457 7.022 ( -8.311 14.536 3.771) 17.163 7.327 ( -5.744 0.070 7.724) 9.625 8.097 ( -0.908 1.514 -5.042) 5.342 8.666 ( 2.030 2.069 -6.638) 7.243 9.026 ( 2.991 -2.416 0.576) 3.887 9.233 ( -3.709 -2.307 0.151) 4.371 9.885 ( -4.012 6.970 -7.169) 10.774 10.123 ( -12.700 -10.421 -11.893) 20.281 10.966 ( 8.428 10.406 4.365) 14.085 11.851 ( 5.390 1.835 -9.094) 10.729 12.306 ( 7.491 -5.347 8.294) 12.389 12.489 ( -0.045 -8.885 0.194) 8.887 12.889 ( 1.670 1.760 11.637) 11.887 13.866 ( -11.853 15.518 -8.877) 21.450 14.674 ( -19.554 14.233 0.766) 24.198 18.602 ( -0.531 1.984 2.594) 3.309 19.116 ( 9.656 -0.399 2.711) 10.037 19.718 ( -7.162 4.926 -1.614) 8.841 19.904 ( -3.105 0.655 -5.391) 6.256 20.787 ( 6.572 -6.350 -14.375) 17.034 21.897 ( -0.370 -2.250 0.551) 2.345 22.202 ( -0.377 1.291 0.307) 1.380 22.484 ( -5.338 -0.564 17.950) 18.735 ======================= Grid point 7 (7/131) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 14.876 -2.187 -7.193) 16.668 2.234 ( 11.210 -5.712 -6.599) 14.207 2.870 ( -2.645 5.368 6.382) 8.749 3.299 ( 0.728 8.702 8.088) 11.902 3.682 ( 4.388 -2.114 -11.158) 12.175 3.921 ( 3.582 -7.728 -9.235) 12.563 4.843 ( 3.790 -1.178 2.062) 4.473 4.887 ( 2.621 -2.079 9.270) 9.855 5.167 ( 3.201 -1.388 12.714) 13.184 5.636 ( 11.814 -4.385 -5.703) 13.832 5.916 ( -0.720 -5.644 3.599) 6.732 6.080 ( 5.251 -8.047 1.922) 9.799 6.938 ( 0.953 3.636 9.029) 9.780 7.115 ( -13.241 -1.839 6.905) 15.046 7.197 ( -2.677 13.619 2.021) 14.026 8.082 ( -1.550 -1.892 -6.106) 6.578 8.574 ( -6.201 -6.391 -17.889) 19.983 9.069 ( -0.390 0.079 8.493) 8.502 9.125 ( 3.392 -0.906 5.111) 6.201 9.677 ( -8.845 -1.950 -3.831) 9.834 10.108 ( 2.419 8.553 -12.953) 15.709 11.356 ( 6.104 9.763 1.393) 11.598 11.846 ( -4.190 -6.285 -5.110) 9.119 12.303 ( -0.442 -5.421 0.175) 5.442 12.423 ( 13.674 -5.415 5.363) 15.655 12.853 ( -3.330 -3.026 12.826) 13.593 13.924 ( -13.923 14.193 -16.898) 26.093 14.636 ( -15.268 18.101 6.172) 24.472 18.609 ( -1.233 0.229 6.452) 6.572 19.317 ( 5.633 2.302 0.723) 6.128 19.668 ( -2.815 -4.533 -5.161) 7.423 19.737 ( -8.684 2.207 -9.419) 13.000 20.767 ( 5.462 -6.681 -4.415) 9.693 21.905 ( 2.645 0.554 0.484) 2.746 22.192 ( -1.843 0.203 -0.299) 1.878 22.509 ( 1.263 6.153 13.565) 14.949 ======================= Grid point 8 (8/131) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -0.143 18.003 -0.000) 18.004 2.231 ( 9.633 12.509 -0.000) 15.788 3.015 ( 0.101 0.544 -0.000) 0.554 3.347 ( -12.675 -8.685 -0.000) 15.366 3.458 ( 5.459 -1.170 0.000) 5.583 3.773 ( 4.412 1.999 0.000) 4.843 4.872 ( -0.229 -0.998 0.000) 1.024 5.171 ( -8.119 -15.706 0.000) 17.680 5.538 ( 2.742 19.156 -0.000) 19.351 5.690 ( 8.218 10.046 -0.000) 12.979 6.130 ( 2.696 7.599 -0.000) 8.063 6.132 ( 7.583 -6.450 0.000) 9.955 6.794 ( -15.625 -6.877 -0.000) 17.071 7.011 ( -8.991 1.831 -0.000) 9.176 7.661 ( -1.884 5.822 -0.000) 6.119 7.756 ( 6.741 -16.192 0.000) 17.539 8.256 ( 21.227 4.060 0.000) 21.612 9.180 ( -10.208 6.608 -0.000) 12.160 9.485 ( -4.372 -3.254 -0.000) 5.450 9.580 ( 3.907 -7.169 0.000) 8.165 9.697 ( 2.059 3.911 -0.000) 4.420 11.474 ( -10.282 -6.091 -0.000) 11.951 11.487 ( 2.672 17.515 -0.000) 17.717 12.418 ( 6.561 -3.853 0.000) 7.609 12.904 ( 0.940 2.822 -0.000) 2.975 12.910 ( -9.985 1.138 -0.000) 10.050 13.363 ( 11.710 -8.549 0.000) 14.499 14.371 ( -23.269 -17.437 -0.000) 29.077 18.846 ( -10.112 8.295 -0.000) 13.079 19.133 ( 8.810 -6.572 0.000) 10.991 19.612 ( -3.951 1.670 -0.000) 4.290 19.644 ( 10.540 -5.845 0.000) 12.052 20.676 ( 1.073 12.247 -0.000) 12.294 21.957 ( 0.592 2.506 -0.000) 2.575 22.128 ( -1.689 -4.142 0.000) 4.473 22.735 ( -8.838 -13.447 0.000) 16.091 ======================= Grid point 9 (9/131) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.662 8.033 -0.000) 8.462 2.351 ( -6.631 1.057 -0.000) 6.714 2.899 ( -10.125 -8.890 -0.000) 13.474 3.171 ( -12.152 -14.422 0.000) 18.859 3.270 ( 10.889 8.930 0.000) 14.083 3.822 ( -1.327 -2.195 0.000) 2.565 4.853 ( -0.482 -0.144 -0.000) 0.503 4.866 ( -1.517 -4.406 0.000) 4.660 5.740 ( 1.722 0.493 0.000) 1.791 5.817 ( -9.113 5.981 -0.000) 10.900 6.380 ( 8.908 6.445 0.000) 10.994 6.400 ( 11.729 7.070 0.000) 13.695 6.639 ( -1.285 3.460 -0.000) 3.691 6.831 ( -6.787 -3.172 -0.000) 7.492 7.608 ( 9.888 -15.072 0.000) 18.026 7.633 ( -8.394 4.636 -0.000) 9.590 8.740 ( 18.552 0.631 0.000) 18.563 9.092 ( -12.239 7.459 -0.000) 14.332 9.331 ( -13.141 4.962 -0.000) 14.047 9.411 ( 0.345 -12.216 0.000) 12.220 9.969 ( 13.464 10.176 0.000) 16.877 11.086 ( -11.107 -13.121 0.000) 17.191 11.930 ( 5.617 19.901 -0.000) 20.678 12.483 ( 7.516 -2.865 0.000) 8.044 12.771 ( -6.584 0.848 -0.000) 6.639 12.912 ( -0.361 -7.053 0.000) 7.062 13.408 ( 11.355 -9.893 0.000) 15.060 13.685 ( -21.634 -4.097 -0.000) 22.019 18.845 ( -7.407 9.219 -0.000) 11.826 19.056 ( 4.667 -12.132 0.000) 12.998 19.673 ( -1.271 6.185 -0.000) 6.314 19.711 ( 8.032 -5.765 0.000) 9.887 21.017 ( 4.713 18.019 -0.000) 18.625 21.998 ( -0.977 2.534 -0.000) 2.716 22.000 ( -2.487 -7.785 0.000) 8.173 22.248 ( -8.922 -14.985 0.000) 17.440 ======================= Grid point 10 (10/131) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 10.174 -6.652 -1.960) 12.313 2.452 ( 9.673 3.960 -0.650) 10.473 2.888 ( -3.785 2.124 3.696) 5.701 3.401 ( -0.736 0.694 3.074) 3.236 3.644 ( -2.584 -1.077 -2.592) 3.816 4.231 ( 19.946 8.963 -10.591) 24.297 4.897 ( 0.439 3.686 0.230) 3.719 4.975 ( 6.331 -0.456 3.626) 7.310 5.219 ( 4.224 0.102 14.453) 15.058 5.671 ( -3.153 -5.841 -1.998) 6.932 5.871 ( 8.880 -2.259 -1.888) 9.355 6.054 ( 6.434 -4.653 1.162) 8.025 6.707 ( -12.688 -9.121 2.824) 15.879 6.963 ( -9.791 3.489 8.546) 13.456 7.361 ( -4.044 8.227 -0.640) 9.189 8.007 ( 4.279 -3.883 0.347) 5.788 8.348 ( -5.388 -3.904 -19.025) 20.155 9.041 ( 0.114 0.468 3.526) 3.559 9.221 ( 1.446 -0.974 11.716) 11.845 9.598 ( -1.905 4.350 -5.564) 7.315 10.429 ( 9.019 12.174 -3.691) 15.594 11.461 ( -17.558 -4.401 -2.659) 18.295 11.508 ( 6.128 -8.603 -1.402) 10.655 12.309 ( 1.598 2.122 1.879) 3.253 12.535 ( 7.856 -6.663 0.252) 10.304 12.729 ( -2.995 -0.340 9.130) 9.614 13.875 ( -8.926 5.324 -12.549) 16.294 14.752 ( -7.958 14.545 4.480) 17.174 18.599 ( -1.576 2.873 5.320) 6.248 19.101 ( -5.208 -15.867 -3.878) 17.144 19.706 ( 2.117 2.400 -0.978) 3.346 19.754 ( -0.914 8.266 -7.042) 10.897 20.754 ( 3.359 -3.797 1.589) 5.313 21.979 ( 2.134 1.306 -0.075) 2.503 22.149 ( -1.539 -0.784 -0.232) 1.743 22.693 ( 2.700 6.415 6.303) 9.390 ======================= Grid point 13 (11/131) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -6.962 -1.384 -0.000) 7.098 2.198 ( 6.962 1.384 0.000) 7.098 2.765 ( -3.597 -4.872 0.000) 6.056 2.765 ( 3.597 4.872 -0.000) 6.056 3.632 ( -9.409 -5.847 -0.000) 11.078 3.632 ( 9.409 5.847 0.000) 11.078 4.840 ( 1.431 -0.737 0.000) 1.609 4.840 ( -1.431 0.737 -0.000) 1.609 5.762 ( 7.529 -6.166 0.000) 9.732 5.762 ( -7.529 6.166 -0.000) 9.732 6.617 ( -2.025 -1.571 -0.000) 2.563 6.617 ( 2.025 1.571 0.000) 2.563 6.668 ( -1.215 -0.879 -0.000) 1.499 6.668 ( 1.215 0.879 0.000) 1.499 7.571 ( 10.646 -9.279 0.000) 14.122 7.571 ( -10.646 9.279 -0.000) 14.122 8.989 ( -13.016 5.370 -0.000) 14.080 8.989 ( 13.016 -5.370 0.000) 14.080 9.243 ( 6.593 -8.633 0.000) 10.863 9.243 ( -6.593 8.633 -0.000) 10.863 10.537 ( -13.958 -17.155 0.000) 22.116 10.537 ( 13.958 17.155 -0.000) 22.116 12.439 ( -0.106 -21.454 0.000) 21.454 12.439 ( 0.106 21.454 -0.000) 21.454 12.683 ( 0.279 -0.282 0.000) 0.397 12.683 ( -0.279 0.282 -0.000) 0.397 13.442 ( 13.082 -9.606 0.000) 16.230 13.442 ( -13.082 9.606 -0.000) 16.230 18.919 ( 5.023 -10.763 0.000) 11.878 18.919 ( -5.023 10.763 -0.000) 11.878 19.729 ( 4.749 -5.454 0.000) 7.232 19.729 ( -4.749 5.454 -0.000) 7.232 21.545 ( -9.457 -20.329 0.000) 22.421 21.545 ( 9.457 20.329 -0.000) 22.421 22.037 ( 0.649 -3.832 0.000) 3.887 22.037 ( -0.649 3.832 -0.000) 3.887 ======================= Grid point 23 (12/131) ======================= q-point: (-0.23 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.482 -23.143 -9.428) 25.388 1.438 ( -9.967 -25.835 -13.972) 31.017 2.445 ( 8.433 -39.927 -21.057) 45.920 3.331 ( -0.077 -2.147 1.221) 2.471 3.451 ( -1.250 -5.421 6.493) 8.550 3.663 ( 0.536 0.753 -4.692) 4.782 4.732 ( -0.242 -10.914 4.230) 11.708 4.766 ( -0.244 -7.161 3.653) 8.042 5.367 ( -1.867 -2.688 11.311) 11.775 5.487 ( 3.712 2.829 2.357) 5.228 5.801 ( -4.176 -5.434 4.404) 8.146 6.095 ( 1.459 6.810 5.827) 9.081 6.905 ( -1.746 7.278 1.808) 7.700 7.336 ( -0.295 -3.971 7.831) 8.785 7.886 ( 2.968 -9.322 0.553) 9.799 8.088 ( -5.835 26.868 -8.616) 28.813 8.318 ( 8.270 17.762 -19.401) 27.573 9.176 ( -4.253 -1.179 7.252) 8.490 9.263 ( 3.859 -6.199 6.385) 9.699 9.658 ( 1.677 2.964 -12.991) 13.430 10.316 ( 19.185 -1.767 -0.303) 19.269 10.753 ( -26.108 -7.313 -5.515) 27.669 11.887 ( -2.651 8.836 -1.359) 9.324 12.153 ( 1.402 -20.027 23.308) 30.762 12.217 ( 3.576 -7.013 0.342) 7.879 13.230 ( 0.248 7.582 7.749) 10.844 14.068 ( 0.368 25.618 -39.211) 46.840 15.523 ( -0.196 15.331 5.991) 16.461 18.863 ( 4.632 2.469 1.497) 5.458 18.962 ( -14.904 7.234 -3.241) 16.881 19.573 ( 11.327 -5.685 -7.862) 14.914 19.970 ( 1.208 6.977 -1.364) 7.211 20.339 ( -2.756 -7.902 -3.082) 8.918 21.812 ( -0.114 -4.932 -1.359) 5.117 22.288 ( 0.176 3.240 2.366) 4.015 22.886 ( 0.766 -10.357 24.376) 26.496 ======================= Grid point 24 (13/131) ======================= q-point: ( 0.28 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.195 21.967 2.859) 22.753 1.915 ( 10.205 22.837 10.697) 27.205 3.003 ( -5.434 11.428 -1.055) 12.698 3.458 ( -2.156 7.714 12.650) 14.972 3.523 ( 0.335 3.199 -5.507) 6.377 3.714 ( -0.089 12.139 1.288) 12.208 4.888 ( -2.130 5.390 -0.097) 5.797 4.938 ( 0.456 9.142 -4.439) 10.173 5.407 ( -0.586 -3.181 4.028) 5.166 5.507 ( 4.052 9.165 -16.889) 19.638 5.907 ( 0.506 4.687 -2.362) 5.273 5.971 ( -0.933 -4.034 -3.568) 5.466 6.736 ( 3.323 -10.053 0.885) 10.625 7.357 ( 1.574 -5.428 -7.574) 9.449 7.606 ( 7.112 -19.052 7.947) 21.834 7.998 ( -9.021 1.434 -0.168) 9.136 8.075 ( -8.352 -6.514 15.405) 18.695 9.157 ( 4.057 -2.730 -5.431) 7.308 9.400 ( -1.846 4.965 -8.551) 10.059 9.584 ( -3.617 -2.042 7.168) 8.284 10.437 ( -14.929 10.230 -1.206) 18.138 10.900 ( 25.015 7.716 5.913) 26.838 11.673 ( 2.507 -12.796 2.487) 13.274 12.348 ( -5.147 6.732 0.191) 8.476 12.417 ( 0.712 7.549 -14.689) 16.531 13.041 ( 0.205 -11.247 -2.643) 11.555 13.758 ( -2.338 -7.943 21.564) 23.099 15.217 ( 0.992 -15.109 -4.386) 15.764 18.791 ( 5.248 -5.388 -0.294) 7.527 18.875 ( 1.691 -1.512 -0.541) 2.332 19.677 ( -8.922 4.981 4.327) 11.097 19.844 ( -1.655 -5.498 1.910) 6.051 20.492 ( 4.324 7.474 4.038) 9.532 21.906 ( 0.412 4.443 0.833) 4.539 22.221 ( -0.580 -3.427 -1.309) 3.714 22.981 ( -1.352 0.761 -14.216) 14.301 ======================= Grid point 25 (14/131) ======================= q-point: ( 0.28 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 7.771 16.049 -1.810) 17.923 2.413 ( -0.587 14.658 2.310) 14.850 2.999 ( -0.102 -3.643 -6.080) 7.088 3.452 ( -0.910 -0.368 10.550) 10.595 3.503 ( -2.862 -3.941 -3.022) 5.732 4.084 ( -5.277 23.279 3.044) 24.063 4.879 ( -2.472 -0.891 0.829) 2.755 5.033 ( -1.822 -4.045 -0.098) 4.438 5.437 ( 6.564 3.542 -3.914) 8.423 5.774 ( 1.134 -5.027 -9.251) 10.589 5.851 ( 0.267 13.210 -2.419) 13.433 6.061 ( 2.435 5.296 0.295) 5.836 6.745 ( 13.255 -12.498 -1.166) 18.255 7.083 ( -2.389 -18.647 -2.044) 18.911 7.375 ( -9.422 -5.028 -1.667) 10.809 7.860 ( 7.024 4.588 19.975) 21.665 8.029 ( -3.239 4.856 1.162) 5.952 9.144 ( 3.022 -4.881 -5.028) 7.631 9.328 ( 1.200 -5.724 2.224) 6.257 9.653 ( -4.422 11.875 -9.873) 16.064 10.401 ( -15.116 13.022 0.215) 19.953 11.410 ( 3.988 -17.663 1.665) 18.184 11.456 ( 13.218 7.766 2.502) 15.533 12.341 ( -4.249 2.549 -0.776) 5.015 12.584 ( 7.733 0.697 -4.697) 9.074 12.867 ( 1.898 -7.622 -2.441) 8.225 13.563 ( -9.227 -0.702 13.757) 16.580 14.860 ( -12.623 -8.883 -4.521) 16.084 18.720 ( -1.026 -2.909 -5.488) 6.296 18.997 ( 14.505 -6.252 5.306) 16.662 19.604 ( -10.793 6.846 3.937) 13.374 19.728 ( -1.704 -0.785 -0.302) 1.901 20.750 ( 6.605 7.560 1.229) 10.114 21.989 ( 0.022 3.157 -0.774) 3.251 22.138 ( -1.033 -3.037 0.688) 3.281 22.838 ( -8.419 -5.830 -5.961) 11.849 ======================= Grid point 26 (15/131) ======================= q-point: (-0.23 -0.03 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 16.652 -7.981 -18.677) 26.264 1.089 ( 19.444 -12.760 -18.480) 29.705 2.001 ( 25.466 -33.359 -29.409) 51.247 3.257 ( -2.094 2.607 3.367) 4.745 3.426 ( 5.017 -4.890 6.319) 9.434 3.686 ( 0.969 -1.194 -5.864) 6.062 4.568 ( 5.675 -5.355 2.844) 8.305 4.695 ( 5.485 -5.180 5.848) 9.545 5.356 ( -1.404 3.139 9.398) 10.007 5.521 ( -1.982 -2.372 5.733) 6.514 5.778 ( 8.840 -4.697 7.197) 12.329 6.190 ( -2.568 1.381 8.674) 9.151 7.032 ( -0.522 2.909 2.999) 4.211 7.250 ( 1.152 -1.281 6.003) 6.245 7.736 ( 7.955 -10.717 2.373) 13.556 8.396 ( -16.231 19.814 1.038) 25.634 8.592 ( -22.755 17.598 -35.155) 45.424 9.104 ( 1.506 -0.154 6.052) 6.238 9.241 ( 3.051 -4.563 5.844) 8.018 9.690 ( -0.428 -0.384 -14.739) 14.751 10.120 ( -15.482 2.115 -4.492) 16.258 10.831 ( 18.885 1.700 -4.123) 19.404 11.852 ( 21.008 -25.166 30.188) 44.564 11.982 ( -1.462 4.856 -0.916) 5.153 12.144 ( 2.280 -5.776 -0.481) 6.228 13.306 ( -3.051 2.828 9.631) 10.491 14.445 ( -29.943 29.979 -47.228) 63.449 15.666 ( -10.555 10.458 7.414) 16.605 18.864 ( -5.584 3.531 0.580) 6.632 19.138 ( 8.590 13.393 -4.580) 16.557 19.481 ( -6.650 -14.255 -10.753) 19.054 20.038 ( -5.617 4.673 -1.571) 7.474 20.259 ( 6.449 -4.002 -1.786) 7.797 21.753 ( 2.834 -2.787 -1.217) 4.157 22.322 ( -1.596 1.506 3.182) 3.866 22.691 ( 14.650 -15.229 32.362) 38.651 ======================= Grid point 28 (16/131) ======================= q-point: ( 0.28 -0.03 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -9.721 4.408 -1.727) 10.813 2.488 ( 5.099 3.346 -2.031) 6.428 2.892 ( -0.620 -6.666 -10.474) 12.431 3.199 ( -11.260 -6.925 0.270) 13.222 3.553 ( 1.620 4.683 12.645) 13.581 4.233 ( -13.644 10.905 -3.431) 17.800 4.786 ( -0.042 -5.161 1.435) 5.357 4.875 ( -1.533 -2.186 4.778) 5.473 5.562 ( -0.052 -10.091 -1.421) 10.191 5.692 ( 9.084 0.666 -6.684) 11.298 6.201 ( 6.296 9.008 -4.741) 11.970 6.296 ( 6.277 8.034 1.988) 10.388 6.546 ( 2.062 -15.197 -3.055) 15.638 6.768 ( 0.319 -11.253 3.905) 11.916 7.223 ( -0.713 -1.950 3.592) 4.149 7.968 ( -2.523 3.955 3.663) 5.952 8.349 ( 8.899 12.354 5.468) 16.178 9.095 ( 1.635 -5.558 -1.639) 6.021 9.411 ( 10.750 3.119 -2.960) 11.578 9.731 ( -9.819 9.776 -8.971) 16.507 10.294 ( -17.153 9.610 -0.392) 19.665 11.026 ( -2.503 -19.457 1.936) 19.712 11.867 ( 11.726 7.524 -2.275) 14.117 12.319 ( 0.818 -0.459 -0.169) 0.953 12.734 ( 9.692 -3.234 2.284) 10.470 12.794 ( 2.726 -6.157 -1.551) 6.909 13.377 ( -13.793 5.276 8.833) 17.207 14.447 ( -19.757 0.554 -4.294) 20.226 18.660 ( 1.551 -4.036 -4.150) 5.993 19.139 ( 11.770 -5.801 6.314) 14.562 19.517 ( -9.863 6.092 1.383) 11.675 19.780 ( 0.928 5.326 -0.951) 5.489 21.044 ( 8.040 8.235 -4.241) 12.265 21.990 ( -1.602 -1.796 -1.271) 2.722 22.106 ( -0.598 1.679 1.606) 2.399 22.445 ( -14.121 -10.628 1.738) 17.759 ======================= Grid point 29 (17/131) ======================= q-point: (-0.72 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -6.335 -4.065 -3.607) 8.347 2.509 ( -1.719 -2.535 2.860) 4.191 2.736 ( -3.309 -3.570 -6.891) 8.437 2.910 ( -7.610 1.307 1.457) 7.858 3.683 ( 0.036 6.923 5.622) 8.919 4.149 ( -13.262 7.055 -6.749) 16.469 4.712 ( 2.336 -3.041 3.928) 5.489 4.854 ( 1.451 -0.821 3.839) 4.186 5.349 ( 3.028 -14.310 3.939) 15.148 5.838 ( 5.657 -0.897 -6.240) 8.470 6.334 ( 9.077 -10.434 -2.844) 14.119 6.422 ( 5.840 -7.906 -0.275) 9.833 6.566 ( 2.555 9.102 2.893) 9.887 6.650 ( 1.420 -0.916 4.571) 4.873 7.191 ( 1.994 -3.204 4.718) 6.042 8.047 ( -4.380 10.221 -5.220) 12.284 8.633 ( 5.421 3.788 3.971) 7.714 8.995 ( -0.660 -4.853 2.654) 5.570 9.521 ( -4.275 -4.226 -9.367) 11.130 9.696 ( -11.005 6.187 -1.783) 12.750 10.289 ( -1.939 4.868 -8.835) 10.272 10.708 ( -0.510 0.651 8.243) 8.284 12.161 ( 4.261 1.124 -8.400) 9.485 12.394 ( 9.989 0.022 4.190) 10.832 12.635 ( -1.844 -9.403 -0.450) 9.593 12.840 ( 9.501 -7.202 7.121) 13.887 13.302 ( -14.557 17.708 2.690) 23.080 14.153 ( -18.051 7.035 -3.299) 19.653 18.611 ( 2.087 -5.017 0.433) 5.451 19.236 ( 4.717 0.067 2.660) 5.415 19.495 ( -2.839 4.395 0.369) 5.245 19.899 ( -0.604 5.086 -2.676) 5.779 21.313 ( 4.438 -1.161 -13.536) 14.292 21.867 ( -4.700 -2.704 6.862) 8.746 22.031 ( -5.830 -0.735 6.192) 8.537 22.155 ( -1.426 2.119 0.264) 2.567 ======================= Grid point 30 (18/131) ======================= q-point: (-0.23 -0.03 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 20.801 -4.469 -10.555) 23.749 1.862 ( 20.754 5.373 -9.553) 23.470 3.074 ( 2.421 -0.070 7.819) 8.185 3.377 ( 3.928 -4.883 0.430) 6.282 3.630 ( 12.138 5.516 -10.851) 17.191 3.725 ( 8.922 1.300 -1.699) 9.175 4.928 ( 6.582 0.824 0.655) 6.666 4.970 ( 10.598 5.292 0.208) 11.847 5.382 ( 3.240 -3.462 5.330) 7.134 5.458 ( -3.502 -0.374 11.124) 11.668 5.902 ( 3.851 3.004 0.276) 4.892 6.082 ( -1.630 6.678 4.363) 8.142 6.751 ( -10.642 3.852 1.826) 11.464 7.258 ( -15.546 -9.091 0.999) 18.037 7.491 ( -7.902 -2.980 -3.547) 9.160 8.056 ( 3.606 -0.652 -0.437) 3.690 8.282 ( -1.872 9.349 -11.871) 15.226 9.081 ( -2.381 -3.255 4.053) 5.717 9.425 ( 1.586 0.251 8.946) 9.089 9.647 ( -2.164 2.800 -7.363) 8.169 10.342 ( 11.687 -24.774 -5.601) 27.959 10.787 ( 3.445 15.224 0.145) 15.610 11.640 ( -10.314 -0.587 -4.679) 11.341 12.444 ( 7.594 3.788 -0.031) 8.486 12.447 ( 4.790 3.718 14.549) 15.762 13.036 ( -11.337 -0.230 0.855) 11.371 13.741 ( -4.011 -3.900 -16.263) 17.198 15.064 ( -16.579 -14.016 3.265) 21.954 18.660 ( -5.859 -3.299 -0.023) 6.724 18.995 ( 2.413 8.615 2.496) 9.288 19.768 ( -0.229 -0.476 -1.926) 1.997 19.841 ( -1.036 -1.618 -4.430) 4.829 20.457 ( 5.195 1.518 -6.065) 8.129 21.901 ( 3.624 0.005 -0.429) 3.649 22.224 ( -2.665 -0.385 0.895) 2.837 22.954 ( -0.257 -4.130 14.323) 14.908 ======================= Grid point 31 (19/131) ======================= q-point: (-0.23 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 16.197 0.921 -9.989) 19.052 2.285 ( 7.756 5.161 -4.470) 10.332 2.983 ( -3.029 -3.098 10.480) 11.340 3.266 ( 2.196 -8.892 2.547) 9.506 3.635 ( -7.266 1.427 -11.521) 13.696 4.054 ( 14.798 -8.477 -0.632) 17.066 4.936 ( -1.966 -3.766 -2.329) 4.845 5.130 ( -6.310 -6.724 5.796) 10.891 5.389 ( 9.865 6.283 2.796) 12.026 5.500 ( -5.482 7.840 1.264) 9.650 6.103 ( 7.147 7.320 0.194) 10.232 6.255 ( 8.164 4.219 1.393) 9.295 6.630 ( -12.052 5.546 1.358) 13.337 6.729 ( -11.970 -3.776 -5.003) 13.512 7.478 ( -3.409 2.565 3.654) 5.617 8.028 ( 3.174 -6.581 2.310) 7.663 8.579 ( 7.381 11.932 -5.489) 15.065 8.992 ( -1.935 0.280 -4.569) 4.969 9.283 ( -9.385 -3.495 3.476) 10.600 9.647 ( -0.889 -2.006 2.867) 3.610 10.171 ( 9.623 -16.288 -7.504) 20.352 11.068 ( 3.294 6.055 10.492) 12.554 11.578 ( -0.840 6.205 -11.742) 13.308 12.495 ( -2.255 2.576 5.886) 6.810 12.638 ( 2.163 1.746 0.504) 2.826 12.877 ( -5.465 4.776 -1.543) 7.420 13.684 ( 5.003 -5.678 -0.056) 7.568 14.394 ( -13.685 -22.665 -0.335) 26.479 18.565 ( -4.279 2.947 -0.088) 5.196 19.273 ( 6.234 9.739 3.474) 12.074 19.591 ( -3.244 -8.117 -1.516) 8.871 19.867 ( 2.169 -1.794 1.322) 3.110 20.603 ( 2.673 6.437 -10.035) 12.218 21.946 ( 1.462 -0.326 0.328) 1.533 22.174 ( -0.931 -1.338 -0.270) 1.652 22.733 ( -5.952 -11.630 8.605) 15.644 ======================= Grid point 32 (20/131) ======================= q-point: (-0.72 -0.03 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.329 1.074 1.060) 2.775 2.382 ( -6.119 -2.389 6.324) 9.118 2.731 ( 2.381 3.951 -5.983) 7.555 3.010 ( 3.857 10.964 1.434) 11.711 3.787 ( -5.136 1.814 -3.673) 6.570 3.998 ( -8.242 8.769 0.804) 12.061 4.804 ( 5.245 2.475 1.588) 6.013 4.873 ( 1.338 0.475 1.101) 1.797 5.177 ( 9.388 -13.371 7.944) 18.166 5.837 ( -4.017 -1.854 -3.743) 5.795 6.289 ( 8.810 -12.323 -1.358) 15.209 6.347 ( 7.451 -10.272 1.397) 12.766 6.659 ( -4.090 2.804 1.660) 5.229 6.724 ( -3.098 2.662 4.621) 6.167 7.211 ( 7.491 -2.388 1.902) 8.089 8.128 ( -6.694 7.851 -8.224) 13.194 8.735 ( 2.041 -0.942 0.968) 2.447 8.940 ( 2.717 -0.991 3.675) 4.676 9.297 ( -4.275 -8.833 -2.524) 10.133 9.561 ( -5.229 0.761 1.760) 5.570 10.198 ( -5.689 3.399 -9.671) 11.723 11.047 ( 3.013 16.475 4.209) 17.269 11.993 ( -9.206 -9.331 -1.889) 13.244 12.463 ( 2.587 -7.554 -1.768) 8.178 12.585 ( 5.998 -2.187 4.000) 7.534 12.856 ( 9.451 -9.027 3.465) 13.521 13.542 ( -6.902 27.327 -3.675) 28.424 14.011 ( -12.169 9.081 0.654) 15.198 18.545 ( 1.470 -4.885 2.879) 5.857 19.356 ( 2.420 4.881 -0.187) 5.451 19.541 ( -0.664 2.226 1.026) 2.539 19.921 ( -3.378 1.128 -7.822) 8.595 20.991 ( -7.494 -16.017 1.882) 17.784 21.933 ( 1.932 0.900 -0.838) 2.290 22.152 ( 1.350 10.301 3.824) 11.071 22.180 ( 3.018 6.267 -0.779) 6.999 ======================= Grid point 33 (21/131) ======================= q-point: ( 0.28 -0.03 -0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -13.295 1.051 7.443) 15.273 2.335 ( 2.052 1.267 3.695) 4.412 2.892 ( 5.104 3.029 -8.742) 10.566 3.325 ( 2.924 9.263 -0.973) 9.762 3.567 ( -5.855 -2.943 7.665) 10.084 4.229 ( -2.863 14.194 -1.479) 14.555 4.882 ( 2.191 2.985 0.440) 3.728 5.021 ( 5.475 5.155 1.013) 7.588 5.247 ( 14.809 -6.358 1.051) 16.150 5.630 ( -10.865 -2.436 -1.584) 11.246 6.180 ( 1.491 -8.250 -2.466) 8.739 6.373 ( 8.524 -5.149 0.057) 9.959 6.489 ( -7.974 -8.045 -0.493) 11.338 6.625 ( -2.785 0.665 8.410) 8.884 7.366 ( 7.445 0.161 -1.136) 7.533 8.099 ( -3.807 1.405 -4.958) 6.407 8.673 ( -2.567 -8.329 -4.756) 9.929 9.012 ( -3.646 -5.453 11.450) 13.196 9.084 ( 9.535 2.237 0.553) 9.809 9.623 ( 1.921 4.845 -5.484) 7.566 10.293 ( -4.160 15.199 -0.804) 15.779 11.199 ( -8.381 2.360 -4.365) 9.740 11.628 ( -6.055 -8.956 6.929) 12.841 12.419 ( 4.734 -4.642 -3.756) 7.620 12.611 ( 3.494 -0.966 4.704) 5.939 12.817 ( 3.348 -8.204 -0.463) 8.872 13.799 ( -6.880 6.917 -5.990) 11.448 14.222 ( 3.278 23.951 3.472) 24.422 18.503 ( 2.074 -2.268 2.129) 3.739 19.360 ( -1.993 -10.776 -1.989) 11.137 19.576 ( -1.888 8.357 0.413) 8.578 19.888 ( -0.584 1.101 -7.796) 7.895 20.662 ( -3.496 -6.374 10.693) 12.930 21.964 ( -0.317 1.126 -0.089) 1.173 22.167 ( -0.306 0.405 -0.334) 0.608 22.598 ( 7.952 12.630 -3.900) 15.426 ======================= Grid point 34 (22/131) ======================= q-point: (-0.23 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 10.372 0.778 -5.414) 11.726 2.324 ( -2.874 -0.605 -6.333) 6.981 2.809 ( -5.690 -5.605 7.299) 10.820 3.102 ( -3.102 -13.051 5.546) 14.516 3.607 ( 7.631 0.997 -9.015) 11.853 3.947 ( 0.734 -12.903 3.142) 13.301 4.845 ( -0.205 -0.723 -0.269) 0.798 4.928 ( -3.639 -3.670 -1.770) 5.463 5.418 ( -13.982 10.365 -3.735) 17.801 5.710 ( 7.547 4.853 2.520) 9.320 6.374 ( -0.360 10.868 0.883) 10.910 6.455 ( 1.735 4.116 -0.248) 4.474 6.625 ( 5.817 0.629 -4.999) 7.695 6.638 ( -5.611 5.984 -0.071) 8.204 7.379 ( -8.928 1.314 0.970) 9.076 7.974 ( 8.323 -10.736 7.799) 15.664 8.785 ( -2.994 4.755 1.973) 5.956 9.051 ( -7.950 -0.648 -1.365) 8.092 9.160 ( 9.247 6.012 -8.901) 14.173 9.531 ( -1.372 -5.274 3.093) 6.266 10.100 ( 5.117 -2.524 1.007) 5.794 11.081 ( -0.945 -9.541 2.784) 9.983 11.818 ( 7.369 11.005 -4.029) 13.843 12.521 ( -2.585 5.469 2.362) 6.494 12.650 ( -1.823 2.576 -3.251) 4.531 12.971 ( -1.046 6.666 0.246) 6.752 13.520 ( -3.953 -21.350 7.465) 22.960 13.846 ( 3.546 -12.950 -4.878) 14.286 18.588 ( -2.963 6.180 -1.590) 7.035 19.367 ( 0.990 -11.371 0.196) 11.416 19.528 ( 1.062 5.939 0.592) 6.062 19.866 ( 2.258 -1.825 5.336) 6.075 20.867 ( 5.067 14.287 -7.884) 17.086 21.953 ( -0.300 0.137 0.259) 0.419 22.131 ( 1.050 -3.768 -0.713) 3.976 22.313 ( -7.954 -15.721 4.353) 18.149 ======================= Grid point 35 (23/131) ======================= q-point: ( 0.78 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.017 0.882 -1.696) 2.165 2.412 ( 7.498 0.569 -5.895) 9.555 2.681 ( 1.612 -0.274 7.031) 7.219 2.815 ( 1.907 -7.827 2.331) 8.387 3.696 ( -1.419 -6.660 -1.374) 6.946 3.875 ( 13.797 -4.438 0.826) 14.516 4.788 ( -4.638 0.989 -2.194) 5.225 4.876 ( -0.529 0.338 -2.319) 2.403 5.448 ( -7.204 13.234 -5.048) 15.891 5.864 ( 2.479 0.838 4.581) 5.276 6.511 ( -4.284 5.417 0.973) 6.975 6.517 ( -7.949 9.784 0.059) 12.606 6.597 ( -1.277 -3.005 -0.307) 3.279 6.694 ( -0.896 0.549 -5.048) 5.157 7.270 ( -6.135 3.460 -1.291) 7.161 7.913 ( 8.828 -12.533 7.521) 17.075 8.761 ( -6.973 1.575 -3.645) 8.024 9.000 ( -1.883 5.344 -2.270) 6.104 9.369 ( 10.100 -1.605 3.791) 10.907 9.493 ( 8.539 -5.858 1.001) 10.403 10.297 ( -0.125 9.598 7.975) 12.480 10.733 ( -3.393 -12.660 -7.409) 15.056 12.164 ( 3.043 7.965 3.673) 9.284 12.598 ( -7.273 -1.061 -0.021) 7.350 12.610 ( -1.414 6.315 -0.667) 6.506 13.026 ( 0.270 -1.329 1.081) 1.734 13.047 ( 0.417 -11.128 -6.251) 12.771 13.846 ( 13.358 -8.106 2.199) 15.779 18.665 ( -3.317 7.193 -1.564) 8.074 19.213 ( 4.248 -8.495 0.366) 9.505 19.549 ( -5.390 2.292 -1.391) 6.020 19.869 ( 2.474 -3.946 3.374) 5.751 21.312 ( 4.431 14.980 4.652) 16.299 21.826 ( -1.969 -12.165 -5.608) 13.539 21.977 ( 0.762 -0.445 -0.746) 1.156 22.122 ( 1.801 -3.070 0.814) 3.652 ======================= Grid point 36 (24/131) ======================= q-point: ( 0.28 -0.03 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -17.828 5.553 5.767) 19.543 2.216 ( -14.742 -0.314 6.934) 16.294 3.032 ( 4.806 1.299 -10.139) 11.295 3.406 ( -2.382 5.001 -2.167) 5.948 3.589 ( 6.155 -2.588 8.959) 11.174 4.169 ( -21.376 2.786 4.271) 21.976 4.990 ( 0.572 0.674 5.289) 5.363 5.115 ( -2.655 -4.530 -0.761) 5.306 5.358 ( 5.138 -3.362 -0.483) 6.159 5.492 ( -6.497 10.344 -15.159) 19.468 6.010 ( -6.533 -1.511 -0.863) 6.761 6.124 ( -6.759 -9.186 -2.008) 11.580 6.517 ( 12.863 -3.817 -0.013) 13.417 6.871 ( 18.291 8.697 6.223) 21.188 7.441 ( 1.953 -0.618 -2.624) 3.329 8.083 ( 1.031 -0.861 3.327) 3.588 8.310 ( -5.203 -15.004 4.432) 16.488 9.026 ( 2.894 3.053 0.851) 4.292 9.329 ( 9.674 1.123 -1.455) 9.847 9.678 ( -3.879 1.350 -6.404) 7.608 10.563 ( -8.514 23.228 6.816) 25.660 10.909 ( -9.823 -10.061 -6.608) 15.537 11.478 ( 5.044 -3.962 8.600) 10.729 12.450 ( 3.327 -1.373 -7.758) 8.553 12.580 ( -5.186 -4.804 0.243) 7.073 12.821 ( 9.781 -0.608 1.638) 9.936 13.745 ( -3.441 0.543 4.697) 5.848 14.785 ( 11.292 16.022 -1.607) 19.668 18.565 ( 3.884 3.338 1.254) 5.272 19.050 ( -2.915 -11.908 -3.625) 12.784 19.714 ( 2.731 3.615 1.201) 4.688 19.877 ( -2.402 -1.218 -0.331) 2.713 20.549 ( -4.159 0.827 7.989) 9.045 21.960 ( -2.425 1.033 0.219) 2.645 22.180 ( 1.877 -0.573 -0.497) 2.025 22.905 ( 4.552 5.647 -8.610) 11.258 ======================= Grid point 38 (25/131) ======================= q-point: (-0.23 -0.03 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 8.013 -4.618 -1.148) 9.319 2.518 ( 2.581 -1.683 -1.868) 3.603 2.856 ( 3.254 7.097 12.923) 15.098 2.953 ( 12.945 5.553 0.767) 14.107 3.559 ( 0.625 -4.387 -11.778) 12.584 3.989 ( 10.698 -8.375 4.006) 14.164 4.794 ( -0.554 4.842 -2.133) 5.320 4.862 ( -0.730 0.288 -2.301) 2.432 5.587 ( -2.241 9.434 -0.014) 9.697 5.839 ( -4.988 -0.962 7.563) 9.110 6.352 ( -9.078 -6.106 1.038) 10.990 6.404 ( -4.859 -7.542 -2.385) 9.284 6.587 ( -3.462 7.232 0.762) 8.054 6.784 ( -0.253 10.396 -2.360) 10.664 7.255 ( -3.563 4.018 -2.625) 5.978 7.867 ( 7.204 -7.010 2.537) 10.367 8.558 ( -11.875 -3.753 -6.782) 14.181 9.119 ( -0.866 7.221 2.147) 7.583 9.491 ( 11.860 -8.460 5.806) 15.683 9.579 ( 0.652 -2.415 2.405) 3.471 10.065 ( 1.628 -12.941 -0.400) 13.049 10.945 ( 6.096 17.563 -1.991) 18.698 12.060 ( -8.537 -8.723 5.768) 13.499 12.382 ( -5.377 -0.891 -3.500) 6.478 12.780 ( 0.688 4.025 1.761) 4.447 12.976 ( -10.145 5.536 0.205) 11.559 13.097 ( 13.596 -1.355 -8.730) 16.214 14.055 ( 19.517 -2.253 3.316) 19.924 18.716 ( -3.908 5.370 3.510) 7.512 19.219 ( 6.065 -1.954 -5.590) 8.477 19.462 ( -6.655 1.596 -0.801) 6.891 19.792 ( -0.140 -5.729 1.086) 5.833 21.197 ( -7.849 -10.567 4.271) 13.839 21.956 ( 2.669 3.925 -0.939) 4.839 22.064 ( 4.642 -0.237 -0.385) 4.664 22.183 ( 10.443 8.129 -1.446) 13.313 ======================= Grid point 39 (26/131) ======================= q-point: (-0.23 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.368 -16.404 0.139) 16.976 2.361 ( -3.523 -10.715 -1.976) 11.451 2.983 ( 2.421 2.429 9.040) 9.668 3.346 ( 10.760 7.351 1.811) 13.157 3.504 ( -3.665 -1.338 -10.909) 11.586 3.973 ( 6.349 -14.131 -1.502) 15.565 4.860 ( -0.473 1.590 -0.351) 1.696 4.972 ( 4.283 8.020 1.519) 9.218 5.587 ( -7.902 -6.272 9.663) 13.970 5.765 ( 0.921 4.148 3.292) 5.375 5.936 ( -8.806 -13.416 -1.493) 16.117 6.164 ( -6.849 -5.208 -0.973) 8.659 6.863 ( 7.763 16.724 3.316) 18.733 6.988 ( -0.292 9.082 0.288) 9.091 7.280 ( -0.994 3.736 2.983) 4.883 7.921 ( 4.908 -1.011 -7.404) 8.940 8.147 ( -16.789 -6.883 -12.561) 22.068 9.200 ( -2.495 4.955 7.190) 9.081 9.399 ( -5.297 0.353 0.221) 5.314 9.530 ( 6.983 -8.669 5.281) 12.321 10.103 ( 15.160 -9.804 -2.097) 18.175 11.375 ( 4.803 13.499 0.538) 14.338 11.713 ( -10.137 -6.734 -1.796) 12.302 12.307 ( -1.112 -1.057 -0.446) 1.598 12.732 ( -5.575 -3.666 5.895) 8.903 12.931 ( -5.576 7.810 4.018) 10.404 13.364 ( 10.403 3.378 -15.380) 18.873 14.522 ( 20.860 8.353 4.368) 22.891 18.738 ( -2.400 3.500 7.413) 8.541 19.273 ( -10.299 7.372 -9.621) 15.906 19.402 ( 6.836 -5.448 -2.156) 9.003 19.699 ( 1.240 -2.616 0.952) 3.047 20.868 ( -5.463 -9.646 -0.626) 11.103 21.984 ( 0.462 -2.352 1.950) 3.090 22.116 ( 1.356 2.607 -2.028) 3.571 22.635 ( 11.810 8.793 4.799) 15.486 ======================= Grid point 40 (27/131) ======================= q-point: ( 0.28 -0.03 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -23.260 8.036 7.193) 25.639 1.571 ( -26.948 2.144 11.097) 29.222 2.550 ( -28.959 19.210 20.150) 40.171 3.242 ( -0.923 -6.037 -0.910) 6.175 3.519 ( -4.419 2.365 -7.002) 8.611 3.694 ( 0.367 3.406 4.329) 5.520 4.757 ( -11.406 3.841 -4.884) 12.988 4.795 ( -5.826 2.510 -2.545) 6.835 5.350 ( -1.932 -2.890 -3.274) 4.775 5.490 ( 1.205 2.877 -12.132) 12.527 5.910 ( -4.000 4.388 -1.341) 6.088 6.107 ( 5.503 2.309 -9.521) 11.237 6.992 ( 3.538 6.173 -0.640) 7.143 7.307 ( -3.759 -2.854 -8.253) 9.508 7.844 ( 0.660 -2.699 -3.478) 4.452 8.037 ( 15.009 -14.942 8.033) 22.651 8.180 ( 19.045 2.148 25.143) 31.615 9.188 ( -6.982 -2.446 -7.298) 10.392 9.273 ( 0.024 4.254 -8.145) 9.189 9.635 ( 5.603 -0.123 11.810) 13.072 10.008 ( -2.789 -11.422 4.087) 12.448 11.108 ( -10.989 8.288 3.763) 14.269 11.901 ( 6.182 -2.417 0.840) 6.691 12.197 ( -3.354 2.922 -0.047) 4.449 12.241 ( -16.251 9.595 -22.781) 29.583 13.213 ( 6.649 -1.385 -8.524) 10.899 13.937 ( 20.533 -11.494 37.799) 44.525 15.402 ( 15.618 -11.952 -6.531) 20.723 18.806 ( 1.654 -1.443 -5.204) 5.648 19.290 ( -0.012 3.861 -0.901) 3.965 19.326 ( 1.082 0.783 14.283) 14.345 19.907 ( 7.112 -4.790 1.552) 8.714 20.415 ( -8.917 4.234 3.032) 10.326 21.827 ( -4.445 1.397 0.642) 4.704 22.274 ( 3.203 -1.279 -1.668) 3.831 22.883 ( -4.984 0.151 -20.780) 21.370 ======================= Grid point 41 (28/131) ======================= q-point: ( 0.28 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -4.012 17.032 16.343) 23.943 1.444 ( -10.203 21.307 13.484) 27.202 2.710 ( -15.450 34.724 12.475) 40.001 3.237 ( 5.890 1.774 0.033) 6.152 3.492 ( -2.449 1.885 -6.051) 6.795 3.709 ( -3.452 0.719 5.587) 6.607 4.737 ( -3.447 10.978 -2.997) 11.891 4.805 ( -3.069 6.559 -3.240) 7.933 5.329 ( 2.136 0.952 -7.603) 7.954 5.527 ( -0.196 -2.259 -7.937) 8.255 5.844 ( -6.797 2.677 -3.688) 8.184 6.143 ( -2.438 -3.461 -6.834) 8.039 6.926 ( -3.685 -7.390 -3.353) 8.913 7.309 ( 1.877 3.318 -5.645) 6.812 7.896 ( 13.722 -26.654 9.260) 31.376 7.940 ( -1.727 8.519 -0.104) 8.693 8.371 ( 2.212 -7.356 16.552) 18.247 9.109 ( 1.675 -0.382 -6.634) 6.853 9.337 ( -2.910 5.379 -7.626) 9.775 9.691 ( -1.700 -0.904 12.779) 12.923 10.167 ( 25.069 5.898 5.062) 26.247 10.773 ( -20.935 -1.932 2.785) 21.207 11.836 ( 2.244 -9.102 2.249) 9.640 12.258 ( -7.970 14.030 -19.688) 25.455 12.289 ( -3.277 9.081 -2.906) 10.082 13.218 ( 1.569 -6.728 -7.308) 10.057 13.951 ( 10.894 -18.503 34.809) 40.899 15.395 ( 12.171 -16.513 -5.428) 21.219 18.781 ( 3.705 -5.848 -1.814) 7.156 18.982 ( -7.184 -2.311 1.589) 7.712 19.686 ( 0.062 7.231 8.178) 10.917 19.931 ( 5.286 -5.908 2.269) 8.246 20.352 ( -4.567 5.380 3.421) 7.843 21.823 ( -1.337 4.110 0.749) 4.386 22.279 ( 1.199 -2.732 -1.777) 3.473 22.902 ( -0.192 6.191 -22.076) 22.929 ======================= Grid point 42 (29/131) ======================= q-point: (-0.23 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -8.159 -21.947 -2.193) 23.517 2.055 ( -0.847 -21.987 -5.361) 22.647 2.976 ( -3.770 -9.689 -2.361) 10.661 3.347 ( 4.729 -10.379 -11.545) 16.228 3.572 ( 0.538 0.795 6.438) 6.509 3.724 ( -2.082 -8.221 -1.125) 8.555 4.861 ( 0.548 -2.716 0.499) 2.815 4.988 ( -4.973 -8.199 6.527) 11.600 5.415 ( -2.287 -0.686 -2.040) 3.141 5.539 ( 1.873 -10.893 13.004) 17.067 5.917 ( -3.550 3.966 0.617) 5.359 6.020 ( -2.062 1.524 4.327) 5.029 6.907 ( -13.047 5.344 0.223) 14.101 7.341 ( 2.571 2.762 9.590) 10.305 7.574 ( 16.395 18.107 1.833) 24.496 7.881 ( -6.859 8.167 -18.165) 21.065 7.986 ( 3.263 -0.764 -11.154) 11.647 9.233 ( -3.748 3.663 7.693) 9.308 9.356 ( 2.902 -7.610 8.651) 11.882 9.520 ( 2.197 3.389 -6.771) 7.884 10.158 ( 13.085 -11.164 -2.758) 17.420 11.294 ( -13.384 -8.664 -2.778) 16.184 11.717 ( -1.383 12.867 -1.570) 13.036 12.270 ( 1.798 -4.050 0.010) 4.431 12.487 ( -6.081 -9.038 13.890) 17.652 13.049 ( -0.830 9.845 5.135) 11.134 13.653 ( 7.936 9.045 -24.377) 27.185 15.097 ( 12.763 14.781 5.343) 20.247 18.772 ( 0.621 2.178 6.203) 6.604 19.136 ( -17.068 8.020 -5.460) 19.632 19.463 ( 11.872 -7.602 -5.591) 15.165 19.785 ( 4.048 4.904 -0.875) 6.419 20.590 ( -5.073 -8.801 -2.882) 10.560 21.914 ( -0.480 -4.340 -0.054) 4.367 22.205 ( 1.073 3.673 0.482) 3.857 22.911 ( 5.472 1.506 12.230) 13.482 ======================= Grid point 43 (30/131) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -1.080 -10.252 -5.735) 11.797 2.470 ( -2.383 -13.102 -5.559) 14.430 2.897 ( -0.922 3.430 3.104) 4.717 3.375 ( -2.011 -0.040 4.159) 4.620 3.662 ( 2.673 3.597 -1.272) 4.659 4.365 ( 2.893 -19.843 -11.729) 23.231 4.934 ( -0.433 -7.492 9.017) 11.732 4.997 ( 4.021 -0.982 -0.769) 4.210 5.228 ( 0.053 -7.945 13.206) 15.412 5.553 ( -5.197 3.877 -7.700) 10.066 5.899 ( 3.167 -8.044 2.486) 8.996 6.002 ( 0.344 -6.300 0.538) 6.332 6.548 ( -5.546 10.055 1.012) 11.528 6.985 ( -1.497 11.315 6.790) 13.280 7.428 ( -2.356 5.734 -0.331) 6.208 8.022 ( 5.909 -4.847 5.305) 9.304 8.335 ( 2.456 9.757 -16.618) 19.426 9.058 ( 0.930 -1.673 0.338) 1.944 9.200 ( -1.015 1.862 11.000) 11.202 9.686 ( 4.144 3.757 -8.363) 10.061 10.636 ( 8.788 -11.862 -0.481) 14.771 11.120 ( -20.660 1.258 -3.700) 21.026 11.546 ( 4.135 6.651 -4.077) 8.829 12.332 ( -1.505 -1.438 4.261) 4.742 12.486 ( 3.132 -6.208 -0.406) 6.965 12.738 ( 0.840 3.439 7.834) 8.596 13.913 ( -1.320 8.448 -7.457) 11.345 14.909 ( 0.773 8.470 1.141) 8.581 18.683 ( 2.649 2.116 2.512) 4.219 18.839 ( -6.909 1.629 -0.792) 7.142 19.751 ( 1.848 2.013 -0.935) 2.888 19.872 ( 2.991 0.807 -4.059) 5.106 20.714 ( 0.018 -3.476 -3.744) 5.109 21.991 ( -0.332 -2.288 -0.838) 2.460 22.141 ( 0.361 1.643 1.186) 2.058 22.753 ( -0.439 -4.067 8.604) 9.527 ======================= Grid point 44 (31/131) ======================= q-point: ( 0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.013 29.410 -0.000) 29.410 0.637 ( 25.607 32.019 -0.000) 40.999 1.135 ( -14.651 57.100 -0.000) 58.949 3.350 ( 0.545 -0.256 0.000) 0.602 3.406 ( -0.294 5.202 -0.000) 5.210 3.606 ( -0.302 0.379 -0.000) 0.485 4.574 ( 0.366 8.038 -0.000) 8.046 4.755 ( -0.102 1.811 -0.000) 1.814 5.532 ( -0.375 -3.876 0.000) 3.894 5.592 ( 0.453 2.040 -0.000) 2.090 5.861 ( 1.288 -1.837 0.000) 2.243 6.293 ( 0.307 -5.321 0.000) 5.330 7.144 ( -0.075 -9.124 0.000) 9.125 7.350 ( 1.354 3.916 -0.000) 4.143 7.678 ( 0.185 0.069 0.000) 0.197 7.860 ( -4.495 5.762 -0.000) 7.308 8.658 ( -0.271 -19.045 0.000) 19.047 9.189 ( -1.119 4.517 -0.000) 4.654 9.241 ( 1.039 5.165 -0.000) 5.268 9.519 ( -0.140 0.047 -0.000) 0.148 10.322 ( -24.698 -3.822 -0.000) 24.992 10.556 ( 28.306 6.872 0.000) 29.128 12.004 ( 1.545 -4.565 0.000) 4.819 12.096 ( -1.556 4.657 -0.000) 4.910 12.941 ( 0.062 -1.387 0.000) 1.388 13.038 ( -0.976 -1.775 0.000) 2.025 13.462 ( -0.509 -1.237 0.000) 1.337 15.870 ( 0.117 -10.587 0.000) 10.587 18.879 ( -0.296 0.217 -0.000) 0.367 19.045 ( 11.034 -6.767 0.000) 12.943 19.352 ( -10.334 6.753 -0.000) 12.345 20.083 ( -0.706 -5.237 0.000) 5.284 20.187 ( 0.946 4.772 -0.000) 4.865 21.706 ( 0.019 3.744 -0.000) 3.744 22.378 ( -0.028 -2.543 0.000) 2.544 23.232 ( -0.759 -0.370 -0.000) 0.844 ======================= Grid point 45 (32/131) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 13.271 25.091 -0.000) 28.385 1.420 ( -6.150 34.438 -0.000) 34.983 2.303 ( 26.809 34.630 -0.000) 43.795 3.250 ( -6.800 -0.942 -0.000) 6.865 3.612 ( 4.131 4.485 -0.000) 6.098 3.632 ( 1.805 1.385 0.000) 2.275 4.817 ( 4.224 14.533 -0.000) 15.135 4.817 ( 1.716 2.802 -0.000) 3.286 5.367 ( -3.336 -2.492 -0.000) 4.164 5.773 ( 7.973 5.058 0.000) 9.442 5.841 ( -3.770 -6.503 0.000) 7.516 6.273 ( 5.760 -7.220 0.000) 9.236 6.992 ( 6.919 -4.903 0.000) 8.480 7.402 ( -4.234 4.913 -0.000) 6.486 7.625 ( -5.226 -3.565 -0.000) 6.326 7.887 ( 1.207 0.826 0.000) 1.463 8.092 ( -9.623 -24.091 0.000) 25.942 9.283 ( -2.518 8.216 -0.000) 8.593 9.382 ( 6.059 0.818 0.000) 6.114 9.498 ( 0.833 -3.734 0.000) 3.826 9.954 ( -13.957 3.188 -0.000) 14.316 11.064 ( 8.796 11.718 -0.000) 14.652 11.885 ( -2.864 -6.554 0.000) 7.152 12.196 ( 2.957 3.483 -0.000) 4.569 12.902 ( -0.713 -1.292 0.000) 1.475 13.044 ( 7.217 -4.725 0.000) 8.627 13.344 ( -6.970 -2.385 -0.000) 7.367 15.481 ( -12.233 -16.393 0.000) 20.454 18.896 ( 3.100 -0.501 0.000) 3.140 19.129 ( -1.271 0.213 -0.000) 1.288 19.300 ( 2.583 0.632 0.000) 2.659 19.890 ( -4.966 -6.870 0.000) 8.477 20.382 ( 4.128 8.423 -0.000) 9.380 21.820 ( 2.027 4.764 -0.000) 5.177 22.292 ( -1.903 -3.913 0.000) 4.351 23.151 ( -4.068 -3.663 -0.000) 5.474 ======================= Grid point 46 (33/131) ======================= q-point: (-0.45 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 2.546 -14.426 -16.333) 21.940 2.109 ( 1.016 -16.613 -12.070) 20.560 2.918 ( -2.299 2.254 5.876) 6.700 3.281 ( -4.263 -2.027 6.630) 8.139 3.760 ( 1.242 -5.648 -1.336) 5.935 3.995 ( 3.539 -14.246 -19.609) 24.494 4.808 ( 2.714 -8.922 8.581) 12.673 4.958 ( 2.929 -15.821 5.954) 17.156 5.054 ( -0.720 2.117 9.461) 9.721 5.518 ( -2.643 -0.374 -5.331) 5.962 5.833 ( 5.163 -5.116 4.171) 8.380 5.991 ( 6.912 -3.335 4.385) 8.839 6.685 ( 1.096 7.791 4.700) 9.164 7.119 ( -2.153 5.614 9.660) 11.378 7.491 ( -9.951 13.098 2.753) 16.678 8.066 ( 4.177 -2.340 0.777) 4.850 8.620 ( 2.984 9.011 -14.614) 17.426 8.998 ( -0.332 -2.084 2.626) 3.369 9.259 ( 1.140 -0.769 2.509) 2.861 9.897 ( 2.226 9.441 -11.723) 15.215 10.428 ( -13.804 -11.181 -4.614) 18.354 10.821 ( 2.729 1.056 -3.094) 4.259 11.763 ( 3.092 6.745 -5.680) 9.345 12.206 ( 2.573 -9.291 7.588) 12.269 12.449 ( 4.048 -7.908 -0.208) 8.886 12.859 ( 1.407 4.710 13.567) 14.430 14.071 ( -8.746 18.068 -11.115) 22.945 15.007 ( -13.013 13.573 0.986) 18.829 18.665 ( -6.548 4.176 -0.387) 7.776 18.923 ( 9.531 0.464 3.831) 10.283 19.827 ( -2.612 4.027 -3.332) 5.843 19.936 ( -0.332 3.193 -3.458) 4.719 20.666 ( 5.299 -6.758 -12.751) 15.374 21.916 ( -1.284 -3.212 -0.978) 3.595 22.193 ( 1.025 1.640 1.967) 2.758 22.576 ( -3.808 -7.262 18.714) 20.432 ======================= Grid point 47 (34/131) ======================= q-point: (-0.45 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 10.644 -6.830 -16.319) 20.646 1.986 ( 13.242 -10.432 -12.031) 20.710 2.915 ( -1.858 2.794 5.184) 6.175 3.263 ( 2.827 3.768 6.142) 7.740 3.550 ( 6.461 -13.062 -12.760) 19.370 3.914 ( -0.116 -6.702 -8.572) 10.882 4.738 ( 6.028 -5.558 5.831) 10.061 4.801 ( 5.932 -8.098 6.739) 12.091 5.119 ( 2.386 2.003 9.515) 10.012 5.473 ( 3.097 -2.720 -3.131) 5.176 5.896 ( 5.580 -2.707 6.801) 9.204 5.988 ( 2.377 -6.985 6.220) 9.650 6.882 ( 4.014 5.673 8.499) 10.978 7.138 ( 0.646 -2.492 7.981) 8.386 7.497 ( -17.007 15.773 5.087) 23.747 8.083 ( 1.504 -2.737 -4.044) 5.110 8.709 ( -7.037 3.117 -16.116) 17.860 9.013 ( 2.573 1.144 1.615) 3.246 9.164 ( -3.323 -4.205 5.859) 7.941 9.899 ( -14.441 -2.830 -3.226) 15.065 10.085 ( -0.071 4.609 -20.264) 20.781 11.166 ( 13.469 8.390 -1.091) 15.906 11.885 ( -0.558 0.827 -3.987) 4.110 12.151 ( 13.259 -9.724 8.104) 18.331 12.319 ( -0.192 -8.221 0.048) 8.224 12.908 ( -2.161 0.593 15.900) 16.057 14.227 ( -16.508 20.088 -18.053) 31.654 14.965 ( -17.623 15.090 5.781) 23.910 18.645 ( -2.947 2.491 4.429) 5.874 19.169 ( 8.926 5.770 0.347) 10.634 19.769 ( -6.618 -2.401 -4.540) 8.378 19.902 ( -7.608 1.222 -8.477) 11.456 20.643 ( 7.131 -7.732 -10.130) 14.603 21.860 ( 1.679 -1.376 0.160) 2.177 22.220 ( -0.787 0.474 1.369) 1.649 22.461 ( 3.560 -2.041 20.126) 20.540 ======================= Grid point 48 (35/131) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -9.125 25.539 -0.000) 27.120 1.991 ( 13.405 19.657 -0.000) 23.793 3.097 ( -6.942 0.447 -0.000) 6.956 3.206 ( 17.293 11.035 0.000) 20.514 3.559 ( -8.410 -5.794 -0.000) 10.212 3.739 ( 1.078 6.129 -0.000) 6.223 4.871 ( 0.225 -0.317 0.000) 0.389 5.204 ( 5.660 -1.598 0.000) 5.882 5.495 ( 9.497 8.980 0.000) 13.071 5.579 ( -7.748 8.660 -0.000) 11.621 6.040 ( 7.050 6.220 0.000) 9.401 6.066 ( -0.600 -12.889 0.000) 12.903 7.131 ( -0.539 -2.052 0.000) 2.122 7.165 ( -21.431 -11.881 -0.000) 24.504 7.573 ( 10.795 10.171 0.000) 14.832 7.643 ( 5.151 -18.016 0.000) 18.738 7.947 ( 7.178 0.215 0.000) 7.181 9.354 ( -6.554 7.452 -0.000) 9.924 9.424 ( 4.127 -6.033 0.000) 7.310 9.485 ( 4.643 -2.478 0.000) 5.262 9.855 ( -12.506 10.368 -0.000) 16.245 11.434 ( 4.179 14.497 -0.000) 15.087 11.644 ( -6.378 -9.031 0.000) 11.056 12.300 ( 4.645 -1.066 0.000) 4.766 12.893 ( 0.433 0.975 -0.000) 1.067 13.095 ( 0.778 -1.949 0.000) 2.098 13.147 ( 0.615 -7.139 0.000) 7.166 14.816 ( -21.530 -15.989 -0.000) 26.818 18.969 ( 7.419 -4.137 0.000) 8.495 19.060 ( -10.589 6.781 -0.000) 12.574 19.417 ( 11.647 -5.146 0.000) 12.733 19.696 ( -4.461 -1.761 -0.000) 4.796 20.638 ( 3.030 10.688 -0.000) 11.109 21.939 ( 1.172 3.854 -0.000) 4.028 22.168 ( -2.270 -4.282 0.000) 4.847 22.904 ( -8.493 -9.583 0.000) 12.805 ======================= Grid point 49 (36/131) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -7.252 13.774 -0.000) 15.567 2.424 ( 0.473 6.912 -0.000) 6.929 3.080 ( -3.340 1.278 -0.000) 3.576 3.193 ( -7.878 -2.023 -0.000) 8.133 3.342 ( -3.092 -11.311 0.000) 11.726 3.852 ( -3.351 6.948 -0.000) 7.714 4.854 ( 0.124 -0.858 0.000) 0.867 4.919 ( -3.660 -9.891 0.000) 10.546 5.752 ( -2.740 -1.871 -0.000) 3.317 5.858 ( 5.777 6.420 -0.000) 8.637 6.140 ( 13.782 10.772 0.000) 17.492 6.259 ( 3.820 5.868 -0.000) 7.002 6.696 ( -6.361 -3.750 -0.000) 7.384 6.946 ( -4.440 -8.117 0.000) 9.251 7.444 ( 6.914 -14.584 0.000) 16.140 7.763 ( -4.664 5.433 -0.000) 7.160 8.357 ( 20.133 5.999 0.000) 21.008 9.320 ( -6.804 2.587 -0.000) 7.279 9.418 ( -4.560 -4.163 -0.000) 6.174 9.498 ( 1.794 4.256 -0.000) 4.618 9.827 ( -5.035 9.064 -0.000) 10.368 11.276 ( -8.061 -14.591 0.000) 16.669 11.828 ( 5.408 17.345 -0.000) 18.168 12.355 ( 5.128 -2.143 0.000) 5.558 12.911 ( 0.521 -2.671 0.000) 2.722 12.933 ( -10.067 1.683 -0.000) 10.207 13.173 ( 12.892 -10.717 0.000) 16.764 14.126 ( -23.431 -6.996 -0.000) 24.453 18.956 ( 5.475 -10.248 0.000) 11.619 19.010 ( -9.188 8.175 -0.000) 12.299 19.528 ( 10.388 -5.480 0.000) 11.745 19.691 ( -0.824 5.466 -0.000) 5.527 20.941 ( 3.716 14.742 -0.000) 15.204 22.013 ( -0.501 3.301 -0.000) 3.339 22.041 ( -2.116 -4.707 0.000) 5.161 22.454 ( -11.843 -15.267 0.000) 19.322 ======================= Grid point 50 (37/131) ======================= q-point: (-0.45 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 15.346 -5.874 -8.358) 18.435 2.197 ( 16.067 -0.258 -6.876) 17.478 2.944 ( -1.645 1.785 4.299) 4.937 3.388 ( 2.158 -0.048 9.087) 9.340 3.712 ( 0.707 2.949 -12.499) 12.862 3.791 ( 19.181 -1.336 -11.043) 22.174 4.803 ( 9.533 -4.168 8.469) 13.416 4.851 ( 4.991 1.349 1.278) 5.326 5.175 ( 1.411 -0.184 13.919) 13.992 5.570 ( 9.393 -1.818 -6.695) 11.677 5.831 ( -2.697 -2.635 6.156) 7.219 5.946 ( 5.676 -5.774 3.852) 8.966 6.875 ( -5.039 -9.037 3.391) 10.889 7.087 ( -1.953 2.460 12.438) 12.828 7.537 ( -13.423 15.606 1.716) 20.656 7.979 ( -0.601 -6.892 -1.312) 7.042 8.508 ( -11.599 -0.092 -23.127) 25.873 9.061 ( -1.468 -1.190 7.293) 7.534 9.139 ( 5.178 2.438 8.174) 9.978 9.709 ( -8.425 4.454 -6.945) 11.792 10.275 ( 6.457 8.602 -10.498) 15.030 11.374 ( 7.429 -10.046 -4.000) 13.119 11.749 ( -11.253 -2.070 -0.971) 11.483 12.244 ( 5.649 -1.076 3.058) 6.513 12.320 ( 12.852 -3.508 1.547) 13.412 12.822 ( -5.621 -0.261 14.465) 15.521 14.135 ( -18.009 6.904 -17.634) 26.133 14.966 ( -13.318 14.210 5.737) 20.303 18.639 ( -2.589 3.187 5.559) 6.911 19.209 ( -5.363 -14.553 -1.427) 15.576 19.644 ( 2.582 6.056 -8.639) 10.862 19.833 ( -5.945 5.092 -4.842) 9.204 20.660 ( 6.257 -4.201 -2.929) 8.085 21.922 ( 3.528 1.009 -0.819) 3.760 22.186 ( -2.019 -0.694 1.285) 2.492 22.601 ( 7.079 3.068 14.523) 16.445 ======================= Grid point 52 (38/131) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -1.939 4.177 -0.000) 4.605 2.367 ( -8.940 0.232 -0.000) 8.943 2.788 ( -5.926 -1.688 -0.000) 6.162 2.903 ( -9.327 -11.341 0.000) 14.683 3.466 ( 7.308 10.772 -0.000) 13.017 3.823 ( -10.152 1.870 -0.000) 10.323 4.800 ( 2.379 -2.875 0.000) 3.731 4.851 ( 0.283 -0.162 0.000) 0.326 5.643 ( 4.290 -9.642 0.000) 10.554 5.903 ( -5.794 2.676 -0.000) 6.382 6.490 ( 7.938 5.007 0.000) 9.385 6.534 ( 7.623 4.741 0.000) 8.977 6.656 ( 1.984 -2.761 0.000) 3.399 6.727 ( -2.358 -6.788 0.000) 7.186 7.373 ( 9.186 -8.451 0.000) 12.482 7.766 ( -8.949 9.724 -0.000) 13.215 8.732 ( 13.445 -0.859 0.000) 13.473 9.161 ( 0.806 -11.128 0.000) 11.157 9.264 ( -13.892 8.171 -0.000) 16.116 9.433 ( -12.056 5.053 -0.000) 13.072 10.246 ( 14.968 17.379 -0.000) 22.936 10.771 ( -9.961 -18.603 0.000) 21.102 12.341 ( 8.690 21.179 -0.000) 22.893 12.385 ( 3.689 -7.587 0.000) 8.436 12.746 ( -4.069 -7.556 0.000) 8.582 12.781 ( -9.158 1.412 -0.000) 9.267 13.203 ( 11.923 -10.782 0.000) 16.075 13.729 ( -16.706 6.274 -0.000) 17.845 18.832 ( 3.951 -10.608 0.000) 11.320 19.030 ( -6.386 9.677 -0.000) 11.594 19.606 ( 7.744 -4.810 0.000) 9.116 19.792 ( -1.856 6.094 -0.000) 6.371 21.382 ( 7.489 19.212 -0.000) 20.620 21.751 ( -11.385 -17.609 0.000) 20.968 22.044 ( -1.865 -5.918 0.000) 6.205 22.059 ( -1.378 3.581 -0.000) 3.837 ======================= Grid point 53 (39/131) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -9.836 -3.136 -0.000) 10.324 2.220 ( 5.545 1.292 0.000) 5.694 2.770 ( 2.775 4.709 -0.000) 5.466 2.948 ( 9.413 12.557 -0.000) 15.693 3.535 ( -15.768 -4.081 -0.000) 16.288 3.769 ( 3.983 8.603 -0.000) 9.480 4.828 ( 2.261 -0.299 0.000) 2.280 4.855 ( 0.093 0.984 -0.000) 0.989 5.593 ( 12.167 -10.477 0.000) 16.057 5.814 ( -5.483 -0.862 -0.000) 5.550 6.544 ( -6.131 -5.737 -0.000) 8.396 6.559 ( -3.826 -5.621 0.000) 6.800 6.606 ( 2.127 -5.019 0.000) 5.451 6.695 ( 6.832 0.948 0.000) 6.897 7.448 ( 10.145 -4.193 0.000) 10.978 7.814 ( -10.727 14.740 -0.000) 18.230 8.882 ( 9.351 -4.910 0.000) 10.562 9.038 ( -4.609 -1.029 -0.000) 4.722 9.143 ( -2.670 -1.728 -0.000) 3.180 9.426 ( -1.871 9.110 -0.000) 9.300 10.225 ( -11.908 -13.110 0.000) 17.711 10.856 ( 12.336 15.225 -0.000) 19.596 12.060 ( -7.685 -17.080 0.000) 18.729 12.616 ( -4.412 -2.632 -0.000) 5.137 12.673 ( 3.599 -1.889 0.000) 4.065 12.912 ( -1.482 19.590 -0.000) 19.646 13.292 ( 18.431 -2.093 0.000) 18.550 13.626 ( -11.443 8.877 -0.000) 14.483 18.725 ( 5.004 -9.093 0.000) 10.379 19.139 ( -4.079 11.752 -0.000) 12.440 19.628 ( 3.608 -4.909 0.000) 6.093 19.838 ( -5.046 5.655 -0.000) 7.579 21.145 ( -8.819 -20.458 0.000) 22.278 21.916 ( 6.664 16.718 -0.000) 17.997 21.980 ( 0.775 -2.011 0.000) 2.155 22.135 ( 2.317 7.008 -0.000) 7.381 ======================= Grid point 54 (40/131) ======================= q-point: ( 0.55 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.491 6.210 -4.387) 7.748 2.541 ( 1.594 -6.757 -5.309) 8.740 2.830 ( 0.799 -1.860 0.623) 2.118 3.367 ( 2.418 -1.886 3.138) 4.388 3.647 ( -2.922 2.507 -1.330) 4.074 4.466 ( -1.870 -10.969 0.331) 11.132 4.904 ( -1.630 -5.705 4.865) 7.673 5.030 ( -0.536 -0.553 4.509) 4.574 5.349 ( -7.789 1.634 -11.828) 14.256 5.527 ( 10.511 3.796 1.021) 11.222 6.014 ( -2.776 2.955 0.627) 4.102 6.204 ( -5.837 8.249 1.064) 10.162 6.438 ( 10.191 2.648 -1.780) 10.679 6.808 ( 3.223 -2.489 -2.858) 4.975 7.336 ( -0.450 -2.945 2.419) 3.837 8.109 ( -3.134 -2.705 -1.599) 4.438 8.311 ( -3.285 11.336 9.108) 14.908 9.086 ( -4.658 0.069 1.335) 4.846 9.173 ( 5.196 1.659 -5.461) 7.718 9.637 ( -4.490 -2.037 -3.918) 6.298 10.609 ( -8.846 -16.035 -0.718) 18.328 11.092 ( 19.551 2.468 3.332) 19.986 11.604 ( -3.513 8.905 -3.460) 10.180 12.316 ( 0.151 -0.350 0.522) 0.646 12.630 ( -2.152 6.771 2.237) 7.448 12.706 ( -0.108 0.296 -3.007) 3.023 13.778 ( 1.199 -5.742 6.291) 8.602 14.678 ( -0.754 -14.087 -3.356) 14.501 18.582 ( 0.046 -3.324 -3.837) 5.076 19.012 ( 4.005 13.788 5.223) 15.278 19.710 ( -0.692 -3.213 -1.009) 3.438 19.806 ( -3.725 -4.292 3.784) 6.827 20.789 ( -0.215 4.006 -6.398) 7.552 21.997 ( 0.415 -1.554 -0.529) 1.693 22.137 ( -0.453 0.995 1.129) 1.572 22.714 ( 0.421 -7.710 2.411) 8.089 ======================= Grid point 56 (41/131) ======================= q-point: ( 0.55 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -12.449 0.154 0.149) 12.451 2.389 ( -3.948 2.139 -0.038) 4.491 2.811 ( 3.211 -5.515 -5.251) 8.265 3.296 ( 1.129 -10.358 -2.665) 10.755 3.687 ( 1.187 2.683 4.450) 5.330 4.072 ( -8.820 -7.298 7.768) 13.834 4.860 ( 1.297 0.119 -0.757) 1.506 4.928 ( -2.375 -4.377 -1.553) 5.217 5.274 ( -7.375 5.902 -16.262) 18.806 5.748 ( 3.303 2.021 1.379) 4.110 5.999 ( -9.950 10.197 3.533) 14.679 6.181 ( -6.128 8.072 -0.145) 10.136 6.789 ( 16.111 -3.627 -3.290) 16.839 6.902 ( 5.066 -0.501 -7.427) 9.004 7.240 ( -3.390 -1.982 -0.947) 4.040 8.042 ( 1.967 -2.132 5.452) 6.176 8.498 ( 1.091 10.609 15.211) 18.577 9.043 ( 0.090 0.600 -6.105) 6.135 9.244 ( -5.616 1.175 -9.482) 11.083 9.548 ( 3.813 0.297 3.343) 5.080 10.179 ( -4.806 -12.913 5.746) 14.928 11.364 ( 7.328 -8.800 -0.808) 11.480 11.757 ( 2.233 11.012 2.014) 11.416 12.316 ( -1.561 3.272 0.442) 3.652 12.648 ( -8.391 3.002 -2.712) 9.315 12.792 ( 2.288 7.116 -7.640) 10.689 13.704 ( 8.355 -12.243 14.438) 20.692 14.401 ( 8.296 -19.718 -6.135) 22.255 18.587 ( 1.143 1.351 -6.051) 6.304 19.362 ( 1.305 7.965 0.359) 8.079 19.588 ( 5.055 -6.701 10.467) 13.417 19.685 ( -3.570 0.727 1.895) 4.107 20.853 ( -3.344 6.406 -2.676) 7.706 21.952 ( -1.910 -1.233 -0.652) 2.365 22.157 ( 1.521 -0.245 1.592) 2.215 22.516 ( 0.263 -11.292 -5.326) 12.488 ======================= Grid point 57 (42/131) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -9.960 -8.311 -0.000) 12.972 2.318 ( 0.518 -2.836 0.000) 2.883 3.097 ( 12.088 9.958 0.000) 15.661 3.147 ( -13.130 -2.323 -0.000) 13.334 3.394 ( 9.292 7.366 0.000) 11.858 3.912 ( -7.004 6.629 -0.000) 9.644 4.860 ( 0.984 0.677 0.000) 1.194 5.002 ( 7.629 10.162 -0.000) 12.707 5.615 ( -5.007 -11.008 0.000) 12.093 5.680 ( 10.312 -7.913 0.000) 12.998 6.238 ( -9.510 -8.014 -0.000) 12.437 6.324 ( -10.521 -0.912 -0.000) 10.561 6.578 ( 7.006 -1.589 0.000) 7.184 6.821 ( 10.045 -4.576 0.000) 11.038 7.563 ( 7.422 -2.870 0.000) 7.957 7.908 ( -8.748 14.174 -0.000) 16.657 8.668 ( -20.264 -7.641 -0.000) 21.656 8.979 ( 9.913 -3.844 0.000) 10.632 9.273 ( 13.155 -0.105 0.000) 13.155 9.617 ( 0.307 8.524 -0.000) 8.529 9.883 ( -12.240 1.819 -0.000) 12.375 11.275 ( 9.533 6.475 0.000) 11.525 11.577 ( -7.177 -16.448 0.000) 17.945 12.524 ( -3.737 1.853 -0.000) 4.171 12.736 ( 7.821 -2.761 0.000) 8.294 12.939 ( -2.683 -3.716 0.000) 4.584 13.576 ( -10.351 7.181 -0.000) 12.598 13.940 ( 20.383 20.766 -0.000) 29.098 18.679 ( 7.031 -7.579 0.000) 10.338 19.288 ( -6.445 10.615 -0.000) 12.418 19.551 ( 2.056 -5.838 0.000) 6.190 19.819 ( -7.557 4.980 -0.000) 9.050 20.696 ( -1.652 -14.451 0.000) 14.545 21.962 ( 0.020 -1.193 0.000) 1.193 22.109 ( 0.193 4.199 -0.000) 4.204 22.558 ( 9.453 15.712 -0.000) 18.337 ======================= Grid point 58 (43/131) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -12.709 -11.328 -0.000) 17.024 1.969 ( -17.480 -13.440 -0.000) 22.050 3.076 ( -0.283 6.184 -0.000) 6.190 3.430 ( -15.215 -3.900 -0.000) 15.707 3.487 ( 9.436 5.467 0.000) 10.906 3.735 ( -9.021 -2.092 -0.000) 9.260 4.893 ( -0.196 1.084 -0.000) 1.102 5.173 ( -9.901 -15.556 0.000) 18.439 5.496 ( 10.368 15.786 -0.000) 18.886 5.503 ( -7.461 -8.373 0.000) 11.215 5.966 ( -2.460 -8.916 0.000) 9.249 6.238 ( -0.219 1.992 -0.000) 2.004 6.903 ( 10.554 -7.494 0.000) 12.944 6.965 ( 21.316 10.440 0.000) 23.736 7.531 ( -2.925 -6.675 0.000) 7.288 8.022 ( -3.382 9.800 -0.000) 10.367 8.197 ( -12.271 -2.659 -0.000) 12.555 9.100 ( 7.047 -1.223 0.000) 7.152 9.529 ( 10.051 -1.356 0.000) 10.142 9.662 ( -6.488 1.258 -0.000) 6.609 9.787 ( -12.404 15.921 -0.000) 20.182 11.146 ( -3.381 -17.673 0.000) 17.993 11.545 ( 11.342 2.179 0.000) 11.550 12.474 ( -7.319 1.067 -0.000) 7.397 12.839 ( 1.698 -2.717 0.000) 3.204 12.879 ( 11.127 -2.181 0.000) 11.339 13.496 ( -9.566 4.937 -0.000) 10.765 14.753 ( 20.456 20.369 0.000) 28.868 18.706 ( 8.879 -5.488 0.000) 10.439 19.156 ( -8.543 -4.160 -0.000) 9.502 19.662 ( 5.667 6.251 -0.000) 8.437 19.736 ( -9.099 3.170 -0.000) 9.635 20.478 ( -0.674 -7.708 0.000) 7.737 21.917 ( -2.184 -1.572 -0.000) 2.691 22.197 ( 2.118 2.810 -0.000) 3.519 22.970 ( 5.918 10.417 -0.000) 11.980 ======================= Grid point 59 (44/131) ======================= q-point: ( 0.55 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -8.502 3.577 9.473) 13.222 2.388 ( -7.628 8.012 4.810) 12.063 2.766 ( 4.206 -4.419 -6.798) 9.134 3.113 ( 3.859 -9.146 -5.732) 11.464 3.758 ( 1.298 4.258 2.006) 4.882 3.996 ( 2.998 -0.799 12.805) 13.175 4.842 ( 1.281 -2.798 -6.882) 7.538 4.911 ( 0.689 2.930 -4.544) 5.451 5.278 ( -7.251 8.891 -10.200) 15.352 5.705 ( -8.233 1.918 3.433) 9.123 6.069 ( -6.684 10.482 -0.151) 12.432 6.240 ( -5.698 7.925 1.463) 9.870 6.826 ( 7.510 -10.163 -2.884) 12.961 6.855 ( -1.989 -9.914 -5.602) 11.560 7.266 ( 1.228 5.480 -8.661) 10.322 8.038 ( 4.871 -5.690 9.236) 11.892 8.699 ( -1.073 4.687 4.483) 6.574 9.080 ( -0.232 1.112 -8.103) 8.182 9.164 ( -0.031 3.654 5.524) 6.624 9.747 ( 8.403 0.372 0.634) 8.435 9.989 ( 2.429 0.325 13.684) 13.902 11.103 ( -5.164 -14.090 -6.599) 16.393 11.938 ( -2.520 2.796 9.129) 9.874 12.429 ( -0.076 6.188 0.288) 6.195 12.512 ( -7.595 4.427 -6.487) 10.926 12.922 ( -1.685 3.248 -9.027) 9.740 13.629 ( 12.119 -14.663 7.480) 20.440 14.305 ( 17.160 -15.291 -0.972) 23.005 18.616 ( -1.392 0.629 -5.122) 5.345 19.274 ( -5.812 -0.647 -0.165) 5.850 19.598 ( 4.067 -5.540 0.231) 6.876 19.820 ( 5.120 3.536 7.687) 9.890 20.908 ( -5.744 7.269 9.674) 13.394 21.906 ( -1.174 0.666 -1.394) 1.940 22.177 ( 2.043 -1.267 1.016) 2.610 22.376 ( 5.614 -7.036 -13.361) 16.110 ======================= Grid point 60 (45/131) ======================= q-point: ( 0.55 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.145 13.134 14.106) 19.274 2.404 ( -4.388 6.090 5.670) 9.407 2.797 ( 4.023 -2.383 -5.267) 7.043 3.183 ( 9.346 1.890 -4.766) 10.660 3.801 ( -2.543 -3.733 0.024) 4.517 4.136 ( 11.195 5.534 9.077) 15.438 4.852 ( 4.135 -2.365 -7.628) 8.993 5.004 ( 2.481 2.119 -7.124) 7.835 5.355 ( -4.496 11.583 -1.136) 12.477 5.549 ( -7.566 -2.399 5.868) 9.871 6.085 ( -9.182 7.683 0.867) 12.004 6.268 ( -7.194 9.071 0.803) 11.606 6.570 ( -4.753 -10.737 -3.497) 12.252 6.780 ( 5.864 -7.390 -1.173) 9.506 7.344 ( -0.047 0.091 -7.639) 7.640 8.047 ( 5.567 -2.687 2.518) 6.675 8.609 ( -6.897 -3.861 -1.726) 8.090 9.089 ( -1.461 2.871 -3.368) 4.660 9.243 ( -2.290 -0.656 8.562) 8.887 9.720 ( 3.050 -8.636 7.754) 12.000 10.322 ( 16.404 5.187 6.310) 18.325 10.860 ( -3.270 3.263 -8.132) 9.352 11.819 ( -7.894 -1.698 9.922) 12.793 12.359 ( -5.024 0.528 -5.829) 7.713 12.644 ( -0.496 6.292 0.647) 6.344 12.837 ( -5.821 -2.963 -5.401) 8.476 13.654 ( 11.235 -6.294 -2.935) 13.208 14.437 ( 20.027 -9.505 3.647) 22.466 18.572 ( -1.169 -0.890 0.681) 1.619 19.170 ( -10.751 4.720 -5.481) 12.957 19.623 ( 8.617 -4.435 1.059) 9.749 19.861 ( 0.583 -3.553 0.880) 3.707 20.876 ( -6.844 2.660 13.958) 15.772 21.941 ( 1.141 2.022 -0.082) 2.323 22.172 ( 0.179 -1.686 -0.565) 1.788 22.493 ( 11.386 0.497 -12.393) 16.837 ======================= Grid point 61 (46/131) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -21.286 -2.966 -0.000) 21.491 1.275 ( -24.802 -13.209 -0.000) 28.100 2.559 ( -44.772 -19.715 -0.000) 48.920 3.235 ( 1.533 6.891 -0.000) 7.059 3.583 ( -1.702 -3.871 0.000) 4.228 3.634 ( -0.768 -1.608 0.000) 1.782 4.768 ( -10.939 -3.589 -0.000) 11.513 4.836 ( -4.135 -1.784 -0.000) 4.503 5.379 ( 1.605 3.675 -0.000) 4.010 5.745 ( -2.836 -8.096 0.000) 8.578 5.846 ( 4.619 2.736 0.000) 5.368 6.248 ( 6.513 -8.013 0.000) 10.326 6.978 ( 8.359 -2.114 0.000) 8.622 7.372 ( -4.468 1.875 -0.000) 4.846 7.542 ( 12.649 6.771 0.000) 14.347 8.030 ( -6.082 -0.741 -0.000) 6.127 8.223 ( 10.723 7.322 0.000) 12.984 9.193 ( 1.320 2.048 -0.000) 2.436 9.454 ( -8.565 -5.208 -0.000) 10.024 9.541 ( 0.157 -2.331 0.000) 2.336 10.089 ( -5.295 27.712 -0.000) 28.213 10.742 ( 0.779 -21.722 0.000) 21.736 11.811 ( 10.121 2.714 0.000) 10.479 12.281 ( -8.287 -3.136 -0.000) 8.860 12.887 ( 2.758 0.991 0.000) 2.931 13.021 ( 7.570 -3.681 0.000) 8.417 13.436 ( -4.238 3.831 -0.000) 5.713 15.462 ( 17.866 12.389 0.000) 21.742 18.814 ( 9.235 -1.309 0.000) 9.328 18.947 ( -3.636 -3.710 0.000) 5.195 19.589 ( -9.020 -0.216 -0.000) 9.023 19.908 ( 6.473 5.663 0.000) 8.601 20.319 ( -4.104 -4.138 0.000) 5.828 21.816 ( -4.320 -1.946 -0.000) 4.738 22.298 ( 3.331 1.808 0.000) 3.790 23.185 ( 1.905 4.176 -0.000) 4.590 ======================= Grid point 65 (47/131) ======================= q-point: ( 0.32 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 5.425 16.115 -1.753) 17.094 2.311 ( 8.516 17.323 8.171) 20.961 3.024 ( -1.810 -4.192 -8.027) 9.235 3.459 ( 0.820 -1.570 3.535) 3.954 3.543 ( -2.088 -2.818 1.685) 3.891 4.167 ( -2.634 24.835 6.109) 25.711 4.945 ( -3.904 0.327 3.245) 5.087 5.060 ( -1.608 1.840 -1.074) 2.669 5.349 ( 2.342 -1.994 0.624) 3.138 5.680 ( 7.715 5.724 -16.805) 19.357 5.940 ( -8.360 5.294 -0.922) 9.938 6.036 ( 2.146 5.389 -2.812) 6.446 6.525 ( 6.254 -11.169 2.409) 13.025 7.030 ( 6.617 -20.378 3.249) 21.670 7.456 ( 1.153 -2.437 -2.119) 3.429 7.943 ( -12.834 -3.460 14.841) 19.923 8.101 ( -4.718 6.270 -0.957) 7.905 9.086 ( 2.974 -4.097 -2.103) 5.482 9.331 ( -0.609 -8.311 1.467) 8.461 9.694 ( -0.103 9.321 -9.893) 13.593 10.680 ( -13.281 13.693 -2.657) 19.259 11.033 ( 23.737 4.476 3.931) 24.473 11.430 ( -1.012 -9.925 5.170) 11.237 12.438 ( -3.118 -0.501 -4.066) 5.149 12.489 ( -0.303 2.726 -2.325) 3.595 12.835 ( 1.455 -8.839 -0.118) 8.959 13.703 ( -4.851 1.272 9.605) 10.836 14.969 ( 2.072 -9.701 -3.312) 10.458 18.691 ( 8.167 -4.414 1.108) 9.349 18.860 ( -5.461 -0.474 -2.043) 5.850 19.737 ( -1.036 -0.645 0.201) 1.237 19.800 ( -6.429 2.935 2.496) 7.495 20.622 ( 5.977 5.801 3.855) 9.178 21.980 ( 0.871 3.135 0.255) 3.264 22.160 ( -1.233 -2.794 -0.495) 3.094 22.942 ( -1.922 -4.429 -7.561) 8.971 ======================= Grid point 66 (48/131) ======================= q-point: (-0.18 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -2.133 -16.424 -20.898) 26.664 0.937 ( -5.021 -24.350 -19.852) 31.815 1.664 ( 3.947 -36.297 -39.856) 54.051 3.309 ( -0.551 -0.847 4.501) 4.613 3.344 ( 0.427 -4.684 5.532) 7.261 3.673 ( 0.030 0.102 -6.038) 6.039 4.542 ( 0.225 -7.574 2.868) 8.102 4.610 ( -0.464 -9.494 7.617) 12.181 5.380 ( -1.196 3.433 10.002) 10.642 5.525 ( 3.361 1.118 2.284) 4.215 5.680 ( -2.642 -7.716 6.884) 10.672 6.207 ( 0.392 4.313 7.995) 9.093 7.039 ( -0.740 7.650 2.725) 8.155 7.254 ( -0.191 -3.706 6.608) 7.579 7.622 ( 1.082 -17.107 2.175) 17.278 8.564 ( -0.467 18.601 6.966) 19.868 8.874 ( 0.570 42.803 -36.155) 56.032 9.138 ( -2.457 0.803 1.705) 3.097 9.166 ( 2.724 -4.576 4.742) 7.131 9.688 ( 0.169 0.665 -15.220) 15.235 10.355 ( 22.215 4.764 -1.978) 22.806 10.614 ( -26.158 -6.934 -5.267) 27.569 11.545 ( 3.285 -45.196 29.136) 53.874 12.016 ( -1.603 4.255 -1.042) 4.665 12.103 ( 1.639 -4.468 -0.567) 4.793 13.335 ( 0.068 3.437 9.817) 10.402 14.838 ( -0.082 55.377 -44.956) 71.328 15.775 ( 0.134 9.726 7.652) 12.376 18.957 ( 5.425 9.668 -4.195) 11.853 19.119 ( -16.527 8.472 -3.885) 18.974 19.453 ( 11.558 -6.771 -10.816) 17.217 20.093 ( 0.320 5.101 -0.981) 5.204 20.204 ( -1.011 -5.448 -1.582) 5.763 21.726 ( -0.008 -3.560 -1.783) 3.981 22.328 ( 0.040 -3.052 8.381) 8.919 22.475 ( 0.165 -33.065 32.396) 46.291 ======================= Grid point 68 (49/131) ======================= q-point: ( 0.32 -0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 7.052 4.595 -5.718) 10.175 2.611 ( -2.665 4.805 -0.995) 5.584 2.897 ( -0.826 -5.571 -6.341) 8.481 3.363 ( -5.623 -6.428 -2.407) 8.874 3.508 ( 2.451 3.970 12.134) 13.000 4.459 ( -7.820 12.762 0.329) 14.971 4.828 ( -4.694 -4.563 2.153) 6.891 4.900 ( -1.524 -6.678 6.118) 9.184 5.505 ( 9.939 0.089 -4.557) 10.934 5.616 ( -5.489 -6.963 -4.142) 9.786 6.098 ( 4.365 7.788 -7.529) 11.679 6.187 ( 4.729 4.299 -0.330) 6.400 6.451 ( 6.740 -13.679 -0.097) 15.249 6.784 ( -0.451 -9.796 4.635) 10.846 7.306 ( -7.741 -2.021 0.114) 8.002 7.935 ( 5.411 2.354 13.500) 14.734 8.254 ( 0.382 17.331 -1.936) 17.443 9.058 ( 2.043 -3.957 0.052) 4.454 9.241 ( 6.055 -2.039 -0.986) 6.465 9.859 ( -2.807 7.934 -11.976) 14.637 10.639 ( -17.191 10.897 -1.599) 20.416 11.054 ( -0.512 -17.297 -0.196) 17.306 11.606 ( 14.301 7.142 2.568) 16.190 12.338 ( -1.783 -3.196 -2.480) 4.421 12.554 ( 6.508 -1.872 4.536) 8.150 12.755 ( 2.507 -5.235 -1.243) 5.936 13.619 ( -10.842 6.549 6.754) 14.354 14.770 ( -11.938 -0.246 -4.024) 12.600 18.669 ( -2.484 -2.054 -3.980) 5.121 18.893 ( 11.832 -4.325 5.216) 13.635 19.717 ( -8.592 4.359 0.401) 9.643 19.764 ( -0.318 4.647 0.289) 4.667 20.880 ( 8.814 5.653 -2.036) 10.667 22.020 ( -1.288 -0.483 -1.607) 2.115 22.105 ( 0.251 0.270 1.721) 1.760 22.687 ( -10.081 -9.592 0.211) 13.917 ======================= Grid point 69 (50/131) ======================= q-point: (-0.68 -0.08 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -2.862 -7.863 -9.197) 12.434 2.495 ( -0.318 -4.020 -2.480) 4.735 2.788 ( -2.063 -2.674 -4.050) 5.274 3.088 ( -9.509 -4.240 3.181) 10.886 3.675 ( 1.159 6.782 8.586) 11.003 4.368 ( -9.469 2.978 -9.285) 13.592 4.703 ( -0.836 -3.445 5.504) 6.547 4.832 ( 0.942 -3.138 7.019) 7.746 5.331 ( -1.119 -12.598 0.888) 12.679 5.683 ( 8.483 -1.920 -5.407) 10.241 6.167 ( 8.479 -13.617 -5.051) 16.818 6.268 ( 9.176 -7.566 -0.167) 11.894 6.494 ( 4.108 6.174 3.302) 8.118 6.694 ( -4.749 6.399 5.746) 9.824 7.193 ( -2.477 -1.263 5.311) 5.995 8.069 ( 2.040 5.872 0.829) 6.272 8.573 ( 0.729 9.696 0.700) 9.748 9.003 ( 0.157 -3.537 2.397) 4.275 9.486 ( 7.556 2.374 -10.319) 13.009 9.873 ( -6.366 4.362 -4.000) 8.692 10.451 ( -14.573 4.247 -5.170) 16.036 10.744 ( -2.988 -4.372 1.750) 5.578 11.980 ( 12.816 3.837 -3.628) 13.861 12.276 ( 2.760 -3.979 0.333) 4.854 12.658 ( -0.070 -8.207 0.247) 8.211 12.661 ( 8.662 -3.681 9.002) 13.024 13.581 ( -13.782 15.753 2.903) 21.131 14.526 ( -19.246 6.930 -3.646) 20.778 18.593 ( -0.601 -2.699 -1.030) 2.951 19.058 ( 11.500 -2.366 4.233) 12.480 19.635 ( -9.540 5.996 -0.204) 11.269 19.892 ( 1.266 5.899 -1.482) 6.212 21.170 ( 9.507 3.962 -11.864) 15.711 21.939 ( -2.744 -3.180 0.248) 4.208 22.148 ( -0.587 1.773 1.617) 2.470 22.240 ( -11.361 -9.357 9.460) 17.496 ======================= Grid point 71 (51/131) ======================= q-point: (-0.18 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 12.285 8.983 -11.629) 19.153 2.047 ( 15.609 12.033 -6.515) 20.758 3.009 ( -0.969 -4.901 6.298) 8.039 3.306 ( -2.773 -3.001 5.094) 6.530 3.674 ( 15.281 -0.601 -10.397) 18.493 3.766 ( 1.050 2.308 -3.689) 4.476 4.923 ( 3.053 -1.186 -0.971) 3.416 5.155 ( 12.318 12.253 2.331) 17.530 5.272 ( -6.530 -7.026 13.382) 16.465 5.512 ( 3.507 6.487 0.949) 7.435 6.013 ( 1.911 7.098 -1.055) 7.426 6.153 ( 2.409 0.199 4.350) 4.976 6.864 ( -10.646 7.065 3.344) 13.208 7.036 ( -18.893 -12.284 -2.787) 22.707 7.487 ( 1.754 1.323 5.311) 5.748 7.983 ( 1.633 -6.440 -2.696) 7.170 8.414 ( 8.734 4.340 -13.682) 16.803 9.060 ( -4.234 1.616 2.919) 5.390 9.390 ( -1.066 -3.881 10.237) 11.000 9.693 ( -4.028 2.089 -6.773) 8.152 9.935 ( 12.530 -15.747 -7.959) 21.641 11.075 ( -2.908 13.252 5.111) 14.498 11.654 ( -6.449 1.944 -8.276) 10.670 12.466 ( 5.921 -0.814 1.824) 6.249 12.559 ( 4.369 6.527 10.881) 13.419 13.034 ( -9.000 0.084 0.130) 9.001 13.622 ( 0.443 -7.955 -11.064) 13.634 14.719 ( -18.910 -19.960 2.597) 27.618 18.667 ( -5.970 3.160 2.991) 7.388 19.155 ( 4.971 6.840 0.671) 8.482 19.680 ( -5.395 -6.396 -1.557) 8.511 19.788 ( 6.123 -4.136 -4.472) 8.636 20.552 ( 2.770 7.716 -7.001) 10.781 21.910 ( 2.183 0.968 0.551) 2.451 22.201 ( -1.844 -2.029 -0.271) 2.755 22.827 ( -3.663 -8.620 12.271) 15.437 ======================= Grid point 72 (52/131) ======================= q-point: (-0.68 -0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.998 -4.400 -5.476) 7.095 2.435 ( 0.960 -4.542 0.746) 4.702 2.723 ( -1.598 1.666 -3.024) 3.805 2.985 ( -1.140 5.632 5.576) 8.007 3.800 ( 1.150 5.025 -2.198) 5.604 4.213 ( -9.834 -1.553 -4.925) 11.108 4.701 ( 4.028 2.066 3.810) 5.917 4.828 ( 3.535 -1.669 2.808) 4.813 5.079 ( 0.871 -11.901 7.183) 13.928 5.807 ( 7.459 -2.171 -4.824) 9.144 6.079 ( 10.285 -13.713 -0.807) 17.160 6.221 ( 6.751 -11.828 2.737) 13.891 6.685 ( 2.861 3.534 5.434) 7.085 6.809 ( -7.157 14.832 1.750) 16.562 7.115 ( 1.593 -4.823 4.847) 7.021 8.207 ( -0.915 4.788 -5.530) 7.372 8.704 ( 0.737 3.548 1.324) 3.858 8.936 ( -1.366 -1.438 4.577) 4.988 9.369 ( -3.903 -10.766 -10.151) 15.303 9.715 ( -9.808 -3.111 3.357) 10.824 10.329 ( -7.641 5.376 -15.914) 18.453 10.969 ( 4.644 18.910 6.057) 20.392 12.108 ( -1.345 -6.123 -6.204) 8.820 12.380 ( 13.238 -1.642 4.442) 14.060 12.452 ( -0.915 -8.657 -0.890) 8.751 12.698 ( 6.265 -7.501 10.210) 14.134 13.737 ( -11.998 25.679 -2.633) 28.465 14.308 ( -18.114 8.649 -0.863) 20.091 18.531 ( -0.151 -2.964 2.597) 3.944 19.249 ( 8.373 1.684 1.381) 8.651 19.598 ( -5.580 5.556 0.159) 7.876 19.981 ( -2.326 2.991 -5.985) 7.084 21.134 ( -5.929 -14.712 -10.011) 18.757 21.879 ( 2.973 1.992 1.150) 3.759 22.088 ( 1.684 6.311 11.383) 13.124 22.193 ( -0.730 1.407 -0.105) 1.589 ======================= Grid point 73 (53/131) ======================= q-point: (-0.68 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 6.004 0.721 1.472) 6.224 2.350 ( -5.071 0.999 2.852) 5.904 2.811 ( 2.983 3.875 -4.966) 6.969 3.195 ( 6.907 7.230 6.890) 12.144 3.769 ( -10.297 -3.192 -4.455) 11.664 4.198 ( 4.559 10.870 -1.323) 11.861 4.846 ( 3.126 1.400 0.549) 3.469 4.914 ( 5.403 2.244 1.015) 5.938 4.988 ( 9.071 -3.795 6.416) 11.741 5.789 ( -4.102 -3.171 -1.429) 5.378 6.067 ( 10.662 -9.975 -2.338) 14.787 6.147 ( 9.624 -9.317 2.480) 13.622 6.708 ( -8.143 2.284 5.220) 9.938 6.744 ( -10.197 -2.098 4.089) 11.185 7.218 ( 6.923 4.632 1.079) 8.399 8.167 ( -2.936 -4.252 -5.323) 7.418 8.718 ( -2.689 -1.527 -5.147) 6.005 8.948 ( 3.920 1.435 3.243) 5.286 9.090 ( -3.464 -9.395 4.100) 10.820 9.599 ( -0.699 4.219 -1.277) 4.463 10.378 ( -5.066 12.586 -11.461) 17.760 11.317 ( -2.814 10.470 3.758) 11.474 11.795 ( -9.663 -11.485 -1.316) 15.067 12.334 ( 3.689 -5.199 -1.399) 6.526 12.540 ( 4.158 -1.999 7.368) 8.693 12.685 ( 9.735 -8.321 1.410) 12.884 13.965 ( -10.645 11.873 -9.296) 18.458 14.273 ( -8.021 20.657 5.383) 22.805 18.483 ( 0.050 -1.326 3.334) 3.588 19.360 ( 1.584 -4.834 0.257) 5.093 19.627 ( -2.392 4.865 0.845) 5.486 19.922 ( -3.482 0.221 -12.705) 13.175 20.742 ( -4.769 -8.575 6.867) 11.976 21.956 ( 1.175 1.579 -0.699) 2.088 22.181 ( -0.852 -0.650 -0.592) 1.224 22.427 ( 9.471 11.523 2.624) 15.145 ======================= Grid point 74 (54/131) ======================= q-point: (-0.18 -0.08 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 9.697 6.388 -7.575) 13.865 2.367 ( 0.096 2.541 -4.341) 5.031 2.930 ( -3.832 -2.655 11.509) 12.417 3.084 ( -0.134 -9.172 3.554) 9.837 3.610 ( -5.547 -4.309 -13.939) 15.609 3.889 ( 5.660 -7.010 2.195) 9.273 4.869 ( -2.306 -2.682 0.890) 3.648 4.986 ( -2.737 -5.825 0.524) 6.457 5.575 ( 5.934 9.910 3.586) 12.095 5.655 ( -8.244 7.463 1.044) 11.169 6.269 ( 8.933 9.117 -1.759) 12.885 6.323 ( 9.727 3.708 -0.944) 10.452 6.615 ( -5.647 -1.621 -2.315) 6.315 6.808 ( -9.562 5.454 1.560) 11.118 7.516 ( -3.755 1.045 5.352) 6.621 7.840 ( 4.095 -11.707 1.914) 12.550 8.759 ( 9.927 6.319 -3.321) 12.227 9.032 ( -1.376 2.521 -7.031) 7.595 9.225 ( -7.591 -0.740 4.648) 8.932 9.584 ( -4.194 -5.173 0.826) 6.710 9.961 ( 9.753 -4.357 -5.800) 12.155 11.127 ( -4.832 -0.634 9.901) 11.035 11.730 ( 1.961 9.896 -10.214) 14.357 12.524 ( 2.945 0.202 0.322) 2.970 12.683 ( -1.462 3.026 3.494) 4.848 12.968 ( -1.161 3.241 -1.372) 3.706 13.528 ( 4.156 -9.949 4.405) 11.647 13.972 ( -15.556 -18.890 -2.928) 24.646 18.661 ( -4.427 6.422 1.449) 7.934 19.307 ( 4.867 -8.329 -1.061) 9.705 19.533 ( -2.046 4.841 1.475) 5.459 19.811 ( 4.066 -3.847 0.109) 5.599 20.791 ( 3.031 12.443 -8.156) 15.184 21.950 ( 0.502 0.831 0.873) 1.305 22.126 ( -0.551 -3.559 -1.249) 3.811 22.472 ( -8.253 -14.756 7.552) 18.517 ======================= Grid point 75 (55/131) ======================= q-point: (-0.18 -0.08 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 5.532 2.807 -3.262) 7.008 2.302 ( -1.058 -1.717 -6.960) 7.246 2.696 ( -3.642 -4.805 6.029) 8.527 2.845 ( -4.515 -12.245 7.613) 15.109 3.620 ( 9.158 1.101 -6.169) 11.097 3.760 ( -2.509 -6.655 1.105) 7.198 4.847 ( -0.220 0.805 -1.325) 1.566 4.887 ( -1.652 -0.958 -2.181) 2.899 5.619 ( -9.559 9.560 -2.767) 13.799 5.784 ( 4.682 1.913 2.577) 5.676 6.523 ( 4.504 4.098 0.302) 6.097 6.582 ( -2.279 7.394 0.840) 7.783 6.638 ( 5.668 1.166 -2.917) 6.480 6.714 ( -7.132 2.021 -2.156) 7.721 7.418 ( -8.294 2.983 2.309) 9.112 7.730 ( 9.198 -12.981 6.222) 17.083 8.889 ( -5.946 6.104 -0.487) 8.535 9.069 ( -1.331 2.144 -1.867) 3.139 9.175 ( 5.269 -2.918 -2.714) 6.606 9.393 ( 1.644 -8.741 2.350) 9.199 10.228 ( 7.733 13.826 -0.294) 15.844 10.846 ( -7.983 -14.250 0.948) 16.362 12.073 ( 5.464 15.562 -1.355) 16.549 12.610 ( 1.256 2.616 0.896) 3.037 12.693 ( -0.909 1.444 -1.823) 2.496 12.894 ( 1.373 -18.418 1.561) 18.535 13.281 ( -12.826 3.563 1.165) 13.363 13.635 ( 7.597 -10.169 -0.976) 12.731 18.734 ( -3.641 8.689 -0.872) 9.461 19.138 ( 2.953 -11.676 0.312) 12.047 19.631 ( -2.508 4.845 -0.171) 5.458 19.809 ( 3.562 -3.906 2.223) 5.735 21.191 ( 6.820 18.300 -3.846) 19.905 21.920 ( -6.316 -16.161 -0.111) 17.352 21.977 ( -0.444 0.455 0.357) 0.729 22.103 ( -0.730 -5.048 2.318) 5.602 ======================= Grid point 76 (56/131) ======================= q-point: ( 0.32 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.868 1.741 0.356) 9.044 2.407 ( -4.914 6.441 6.196) 10.200 2.932 ( 4.595 1.030 -8.515) 9.731 3.436 ( 7.169 2.114 4.267) 8.606 3.512 ( -6.580 -2.293 2.603) 7.439 4.440 ( -5.788 7.061 2.755) 9.537 4.933 ( 4.168 1.308 5.978) 7.404 5.076 ( 5.489 -1.474 0.013) 5.683 5.203 ( 10.258 2.691 -3.355) 11.123 5.648 ( -7.527 4.290 -8.075) 11.843 6.074 ( 2.139 -2.316 -3.613) 4.795 6.214 ( 9.214 -10.099 0.213) 13.673 6.386 ( -9.895 -2.882 2.185) 10.536 6.663 ( 1.206 3.497 9.443) 10.141 7.395 ( 2.111 2.926 -2.477) 4.376 8.034 ( 3.143 -7.470 3.378) 8.780 8.465 ( -9.746 -10.896 -4.114) 15.187 8.983 ( 1.088 1.130 6.366) 6.556 9.130 ( 9.504 2.183 0.647) 9.773 9.732 ( -0.927 6.203 -8.933) 10.915 10.627 ( 0.264 17.757 -2.587) 17.947 11.177 ( -16.197 -4.528 -3.994) 17.286 11.459 ( -2.139 -7.893 8.921) 12.102 12.351 ( 5.540 -2.050 -2.328) 6.349 12.615 ( 2.563 -0.236 3.424) 4.284 12.674 ( 5.391 -4.839 -0.352) 7.253 13.855 ( -7.809 -0.511 -0.946) 7.883 14.649 ( 2.287 17.876 -0.388) 18.026 18.511 ( 1.646 3.271 2.460) 4.412 19.105 ( -2.718 -14.434 -3.003) 14.991 19.686 ( 0.108 3.241 0.969) 3.385 19.918 ( -1.998 1.094 -5.912) 6.335 20.619 ( -3.089 1.726 8.175) 8.908 21.993 ( -0.910 1.753 -0.039) 1.976 22.153 ( 0.804 -1.640 -0.397) 1.869 22.782 ( 8.124 5.856 -3.129) 10.492 ======================= Grid point 78 (57/131) ======================= q-point: (-0.18 -0.08 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.923 -3.549 -4.081) 5.487 2.405 ( 7.976 -0.976 -3.635) 8.819 2.739 ( 7.686 2.819 3.782) 9.018 2.763 ( 6.011 6.203 10.238) 13.395 3.570 ( -2.670 -5.417 -7.056) 9.288 3.811 ( 8.155 -2.002 1.406) 8.514 4.823 ( -2.389 1.732 -1.879) 3.498 4.882 ( -0.524 0.534 -2.171) 2.297 5.652 ( -4.563 6.939 -1.024) 8.367 5.858 ( 2.816 -1.806 4.031) 5.238 6.500 ( -5.720 -4.374 -0.971) 7.265 6.540 ( -8.181 -3.056 -0.416) 8.743 6.650 ( -2.158 1.938 0.052) 2.901 6.769 ( 1.623 5.799 -2.454) 6.503 7.357 ( -6.902 6.068 0.645) 9.213 7.703 ( 9.356 -7.695 4.785) 13.025 8.793 ( -11.929 1.650 -4.641) 12.906 9.139 ( -1.606 7.678 1.754) 8.038 9.248 ( 11.905 -8.040 1.212) 14.416 9.415 ( 11.899 -2.087 1.644) 12.192 10.245 ( -15.028 -12.752 0.160) 19.710 10.784 ( 10.454 13.831 -1.160) 17.376 12.227 ( -9.284 -6.461 5.593) 12.619 12.490 ( -3.947 -3.622 -4.763) 7.168 12.748 ( 2.898 6.235 -0.015) 6.875 12.806 ( 11.889 -2.055 -1.915) 12.217 13.210 ( -11.253 8.522 -0.824) 14.139 13.711 ( 15.743 -4.900 1.568) 16.563 18.806 ( -5.270 5.915 1.973) 8.164 19.064 ( 8.064 -5.203 -2.550) 9.930 19.613 ( -7.098 3.963 -0.650) 8.155 19.779 ( 1.643 -4.927 0.907) 5.272 21.360 ( -9.165 -12.119 2.146) 15.345 21.796 ( 12.425 11.732 -3.825) 17.511 22.002 ( 0.054 1.021 2.208) 2.433 22.076 ( 3.157 -0.119 -0.257) 3.170 ======================= Grid point 79 (58/131) ======================= q-point: (-0.18 -0.08 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 5.773 -12.761 -3.702) 14.487 2.445 ( -1.104 -5.951 -2.032) 6.385 2.933 ( 1.478 0.509 11.916) 12.018 3.095 ( 13.808 8.064 2.976) 16.264 3.559 ( -0.013 3.837 -11.886) 12.489 3.853 ( 4.577 -5.012 -0.562) 6.811 4.868 ( 1.503 1.266 -0.445) 2.015 4.904 ( 0.597 6.074 0.883) 6.167 5.674 ( -1.033 -2.871 7.447) 8.048 5.798 ( -3.339 -2.796 4.084) 5.971 6.169 ( -13.957 -9.575 -2.537) 17.115 6.286 ( -5.626 -5.348 -2.447) 8.139 6.693 ( 6.058 4.674 0.278) 7.657 6.958 ( 4.255 5.969 0.503) 7.348 7.367 ( -6.415 7.200 4.974) 10.851 7.796 ( 7.528 -0.447 -3.128) 8.164 8.497 ( -17.944 -2.359 -10.663) 21.006 9.226 ( 1.186 1.879 7.378) 7.705 9.321 ( 8.055 -7.029 5.408) 11.981 9.572 ( -2.863 2.855 -3.344) 5.247 9.865 ( 4.643 -7.531 -3.536) 9.528 11.230 ( 9.601 9.504 3.663) 13.997 11.866 ( -6.151 -9.841 -2.970) 11.979 12.377 ( -5.664 0.909 -1.815) 6.017 12.776 ( 0.271 -3.222 5.576) 6.445 13.025 ( 0.779 1.434 0.165) 1.641 13.234 ( -1.090 10.685 -6.967) 12.802 14.098 ( 21.640 7.402 2.285) 22.985 18.788 ( -2.016 0.967 7.918) 8.227 19.193 ( 6.879 0.451 -8.763) 11.150 19.537 ( -9.104 5.040 -0.932) 10.448 19.688 ( -0.424 -4.374 -0.159) 4.397 20.967 ( -4.931 -12.258 -2.073) 13.375 21.976 ( 0.222 -1.548 2.111) 2.627 22.081 ( 2.206 2.952 -2.380) 4.387 22.399 ( 11.960 12.226 4.663) 17.727 ======================= Grid point 81 (59/131) ======================= q-point: ( 0.32 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -21.230 3.635 10.132) 23.804 1.733 ( -17.818 14.911 10.234) 25.388 2.967 ( -8.167 13.951 1.600) 16.245 3.185 ( -3.398 5.650 6.643) 9.359 3.519 ( -0.271 -1.063 -5.881) 5.983 3.760 ( -1.242 2.254 5.585) 6.149 4.844 ( -2.840 4.365 -2.690) 5.861 4.922 ( -12.131 10.553 -3.867) 16.537 5.329 ( -3.385 0.347 -5.623) 6.572 5.494 ( 3.233 -1.957 -8.943) 9.709 5.976 ( -5.947 2.687 1.207) 6.637 6.135 ( 4.019 0.388 -8.810) 9.691 7.025 ( -5.370 -4.790 -3.955) 8.211 7.284 ( 0.493 -0.919 -5.014) 5.121 7.579 ( 17.404 -17.172 0.779) 24.462 7.948 ( 0.874 1.921 6.845) 7.163 8.263 ( 7.842 6.270 18.061) 20.664 9.135 ( -4.517 -3.259 -6.554) 8.601 9.355 ( 1.277 3.691 -10.107) 10.835 9.685 ( 5.765 5.357 10.691) 13.276 9.850 ( 3.524 -5.146 6.278) 8.849 11.139 ( -16.100 -2.537 1.171) 16.340 11.797 ( 2.264 -7.319 3.448) 8.401 12.316 ( 0.036 8.052 -0.108) 8.053 12.439 ( -9.529 8.779 -18.432) 22.530 13.167 ( 3.673 -4.048 -7.283) 9.106 13.709 ( 12.718 -9.588 28.150) 32.343 15.094 ( 17.503 -18.639 -5.181) 26.089 18.770 ( -1.060 -3.561 -6.988) 7.915 19.127 ( -7.503 -3.679 4.849) 9.661 19.607 ( 6.846 12.175 7.234) 15.730 19.799 ( 7.049 -5.928 1.995) 9.424 20.491 ( -8.877 3.532 4.159) 10.420 21.864 ( -2.769 2.309 -0.258) 3.615 22.240 ( 2.672 -2.006 -0.520) 3.381 22.875 ( 3.102 -1.277 -16.024) 16.371 ======================= Grid point 82 (60/131) ======================= q-point: (-0.18 -0.08 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 2.206 -22.604 -2.670) 22.868 2.084 ( -8.162 -17.087 -6.651) 20.071 3.008 ( 3.137 0.551 5.611) 6.452 3.364 ( -3.075 -9.066 -8.762) 12.978 3.496 ( 2.089 2.300 2.579) 4.038 3.785 ( -2.578 -3.635 -3.855) 5.893 4.870 ( -1.303 -0.321 0.393) 1.399 5.093 ( -3.581 0.267 8.559) 9.282 5.445 ( 1.982 -6.457 10.920) 12.840 5.537 ( -6.540 -13.324 -3.012) 15.145 5.997 ( -3.237 8.546 3.733) 9.872 6.076 ( -5.000 -4.153 -1.420) 6.653 7.082 ( 0.336 0.516 3.870) 3.919 7.183 ( 20.240 14.725 -0.305) 25.032 7.340 ( -5.618 3.209 10.604) 12.422 7.923 ( 3.496 1.082 -9.808) 10.468 8.124 ( -16.111 4.467 -18.494) 24.931 9.271 ( 5.018 -7.383 6.655) 11.135 9.296 ( -1.349 2.752 10.478) 10.917 9.543 ( -5.512 6.142 -6.071) 10.245 9.927 ( 10.880 -7.711 -5.373) 14.377 11.394 ( 2.369 -9.604 2.305) 10.157 11.723 ( 0.240 5.396 -5.660) 7.824 12.301 ( -4.721 0.686 -0.135) 4.772 12.614 ( -5.688 -7.982 12.351) 15.767 13.072 ( -0.928 6.181 6.840) 9.266 13.490 ( 7.221 9.243 -21.911) 24.853 14.761 ( 20.545 15.645 4.685) 26.245 18.780 ( -0.414 0.649 9.100) 9.133 19.265 ( 7.074 -6.437 -8.124) 12.549 19.452 ( -14.341 8.428 -5.503) 17.521 19.697 ( 4.726 2.767 -0.155) 5.479 20.677 ( -3.753 -9.879 -3.328) 11.080 21.925 ( -0.621 -3.281 1.061) 3.504 22.179 ( 1.566 3.462 -0.774) 3.877 22.783 ( 7.399 6.267 10.265) 14.120 ======================= Grid point 85 (61/131) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.090 28.127 -0.000) 28.127 1.232 ( 23.631 28.878 -0.000) 37.315 2.190 ( -14.509 50.335 -0.000) 52.384 3.339 ( 0.528 -0.941 0.000) 1.079 3.527 ( 1.116 6.271 -0.000) 6.370 3.615 ( -0.155 0.792 -0.000) 0.807 4.777 ( 1.692 11.845 -0.000) 11.965 4.809 ( -0.708 3.680 -0.000) 3.748 5.438 ( -0.937 -5.254 0.000) 5.337 5.652 ( 1.491 4.183 -0.000) 4.441 5.842 ( 0.678 0.825 -0.000) 1.068 6.161 ( 1.259 -7.761 0.000) 7.863 6.946 ( -1.027 -10.953 0.000) 11.001 7.429 ( 2.052 3.676 -0.000) 4.210 7.635 ( 2.693 -5.986 0.000) 6.564 7.954 ( -6.037 3.387 -0.000) 6.922 8.253 ( -4.348 -20.692 0.000) 21.144 9.269 ( 4.820 0.549 0.000) 4.851 9.352 ( -4.262 9.367 -0.000) 10.291 9.507 ( -1.232 -1.806 0.000) 2.187 10.304 ( -21.615 2.771 -0.000) 21.792 10.691 ( 29.113 7.048 0.000) 29.954 11.869 ( 3.031 -9.330 0.000) 9.810 12.212 ( -3.315 6.784 -0.000) 7.550 12.904 ( 0.525 -2.336 0.000) 2.394 12.967 ( -0.347 -5.916 0.000) 5.926 13.449 ( -2.707 0.457 -0.000) 2.745 15.597 ( 0.705 -16.423 0.000) 16.438 18.886 ( -1.844 0.399 -0.000) 1.887 18.911 ( 11.348 -6.871 0.000) 13.266 19.488 ( -10.187 7.129 -0.000) 12.434 19.956 ( -1.063 -7.264 0.000) 7.342 20.306 ( 2.667 7.072 -0.000) 7.558 21.798 ( 0.160 5.209 -0.000) 5.211 22.313 ( -0.220 -3.893 0.000) 3.900 23.213 ( -1.458 -1.814 0.000) 2.327 ======================= Grid point 86 (62/131) ======================= q-point: (-0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -1.135 -14.919 -11.769) 19.037 2.156 ( -3.828 -18.472 -10.619) 21.648 2.947 ( -0.850 1.190 3.507) 3.800 3.349 ( -2.844 -2.949 8.367) 9.316 3.729 ( 1.434 0.756 -2.057) 2.619 3.893 ( 6.718 -24.619 -21.590) 33.427 4.765 ( 0.662 -8.822 9.076) 12.674 4.892 ( 2.726 -10.367 1.009) 10.766 5.124 ( -4.394 -1.854 15.041) 15.779 5.559 ( -0.349 -2.606 -7.475) 7.924 5.810 ( -2.039 -3.776 6.859) 8.091 5.881 ( 2.435 -3.389 4.176) 5.903 6.722 ( -5.189 7.474 2.810) 9.522 7.127 ( 1.076 2.064 12.308) 12.526 7.659 ( -5.016 17.605 -0.114) 18.306 7.950 ( 5.894 -3.664 3.805) 7.914 8.551 ( 3.654 13.365 -21.472) 25.554 9.027 ( -2.083 -1.331 6.022) 6.509 9.205 ( 3.768 -1.526 5.427) 6.781 9.815 ( 5.638 9.218 -9.679) 14.507 10.440 ( 7.737 -7.701 -5.026) 12.017 11.046 ( -19.977 -6.861 -6.464) 22.089 11.735 ( 0.061 10.638 -2.522) 10.933 12.203 ( -1.943 -12.327 5.622) 13.687 12.353 ( 5.024 -6.927 -0.207) 8.560 12.833 ( 1.166 5.738 14.545) 15.679 14.182 ( -2.032 19.610 -14.225) 24.311 15.128 ( 1.314 13.197 2.680) 13.530 18.736 ( 6.027 3.319 3.865) 7.892 18.898 ( -13.906 4.709 -1.882) 14.802 19.788 ( 6.157 1.277 -4.630) 7.809 19.914 ( 2.868 3.928 -4.915) 6.915 20.612 ( -0.207 -6.905 -6.593) 9.549 21.933 ( -0.163 -3.579 -1.697) 3.965 22.178 ( 0.193 1.918 2.607) 3.242 22.623 ( -0.799 -9.697 16.745) 19.367 ======================= Grid point 87 (63/131) ======================= q-point: (-0.40 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 4.836 -11.435 -21.311) 24.664 1.781 ( 5.941 -16.241 -16.240) 23.723 2.923 ( 1.342 -3.106 -1.664) 3.770 3.227 ( -0.185 -4.237 4.854) 6.446 3.454 ( 4.156 -17.602 -10.096) 20.713 3.881 ( 3.326 -2.189 -9.876) 10.649 4.646 ( 2.642 -8.855 4.397) 10.234 4.687 ( 4.956 -9.799 7.146) 13.102 5.094 ( -0.183 2.070 9.972) 10.187 5.493 ( -3.762 -1.675 -0.510) 4.150 5.735 ( 8.750 -5.211 4.769) 11.245 5.952 ( 2.500 -1.427 11.320) 11.680 6.819 ( 1.507 6.318 6.430) 9.139 7.131 ( 0.444 -2.252 9.965) 10.226 7.760 ( -8.849 6.652 6.628) 12.903 8.041 ( 1.825 4.224 -0.037) 4.602 8.834 ( -5.454 12.980 -14.429) 20.160 8.986 ( 0.462 1.090 1.254) 1.724 9.207 ( -0.625 -2.855 0.937) 3.069 10.064 ( 0.545 6.724 -16.895) 18.192 10.268 ( -19.139 -5.691 -7.520) 21.337 10.854 ( 15.955 3.146 -4.250) 16.808 11.901 ( -1.309 6.130 -3.406) 7.134 11.935 ( 8.303 -18.041 8.705) 21.684 12.292 ( 2.893 -7.902 -0.316) 8.421 12.936 ( -0.698 3.192 17.790) 18.088 14.525 ( -12.852 27.599 -16.773) 34.759 15.273 ( -12.486 13.002 4.561) 18.595 18.755 ( -9.257 4.941 0.670) 10.515 18.988 ( 9.242 6.782 0.834) 11.494 19.876 ( -2.679 0.062 -7.333) 7.807 20.008 ( -2.752 4.316 -4.448) 6.781 20.504 ( 6.277 -9.419 -11.561) 16.179 21.848 ( -0.360 -3.633 -1.317) 3.881 22.216 ( 1.221 0.069 4.577) 4.738 22.388 ( 3.039 -11.654 22.172) 25.232 ======================= Grid point 88 (64/131) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 9.287 23.979 -0.000) 25.715 1.992 ( -0.083 24.459 -0.000) 24.459 2.913 ( 8.040 24.098 -0.000) 25.404 3.237 ( -6.455 -0.515 -0.000) 6.476 3.652 ( -0.872 -0.932 0.000) 1.277 3.711 ( 1.586 9.185 -0.000) 9.321 4.868 ( -0.125 1.815 -0.000) 1.819 5.064 ( 6.339 6.836 -0.000) 9.322 5.369 ( 3.077 3.044 0.000) 4.329 5.755 ( -9.004 0.880 -0.000) 9.047 5.879 ( 8.481 6.008 0.000) 10.394 6.102 ( -0.766 -9.190 0.000) 9.222 6.915 ( 17.477 -4.136 0.000) 17.960 7.478 ( -0.644 3.239 -0.000) 3.302 7.515 ( 1.509 -10.366 0.000) 10.476 7.606 ( -15.907 -22.206 0.000) 27.316 7.919 ( -2.264 3.040 -0.000) 3.790 9.333 ( 5.569 -4.432 0.000) 7.117 9.394 ( -0.778 -6.070 0.000) 6.119 9.512 ( -4.551 13.442 -0.000) 14.191 10.123 ( -15.119 12.661 -0.000) 19.720 11.263 ( 14.918 9.113 0.000) 17.481 11.697 ( 0.893 -12.966 0.000) 12.996 12.270 ( -1.759 3.987 -0.000) 4.357 12.880 ( 1.031 -1.126 0.000) 1.527 12.901 ( 8.699 -9.662 0.000) 13.001 13.333 ( -9.863 1.289 -0.000) 9.946 15.161 ( -12.693 -15.440 0.000) 19.988 18.869 ( 2.332 -2.375 0.000) 3.328 19.037 ( 13.162 -6.724 0.000) 14.780 19.409 ( -11.180 7.713 -0.000) 13.583 19.777 ( -3.598 -4.322 0.000) 5.624 20.556 ( 5.321 9.179 -0.000) 10.609 21.915 ( 1.212 4.750 -0.000) 4.903 22.210 ( -1.826 -4.342 0.000) 4.710 23.058 ( -7.011 -6.025 -0.000) 9.244 ======================= Grid point 89 (65/131) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -10.711 16.124 -0.000) 19.358 2.332 ( 7.589 14.342 -0.000) 16.226 3.146 ( -4.845 4.626 -0.000) 6.699 3.271 ( 8.499 -4.354 0.000) 9.550 3.411 ( -10.839 -8.747 -0.000) 13.928 3.961 ( -6.369 15.860 -0.000) 17.091 4.855 ( -0.381 -1.371 0.000) 1.423 4.987 ( -2.611 -13.262 0.000) 13.516 5.673 ( 11.120 8.120 0.000) 13.769 5.815 ( -1.097 -12.451 0.000) 12.500 5.941 ( 2.822 20.289 -0.000) 20.484 6.156 ( 7.098 6.078 0.000) 9.345 6.913 ( -14.465 -14.131 -0.000) 20.222 6.970 ( 3.285 -13.407 0.000) 13.804 7.337 ( 3.792 -12.326 0.000) 12.896 7.764 ( 7.264 8.419 -0.000) 11.120 8.041 ( 8.004 9.860 -0.000) 12.700 9.300 ( 4.001 -8.804 0.000) 9.671 9.366 ( 6.745 0.278 0.000) 6.751 9.621 ( -11.025 12.196 -0.000) 16.441 10.078 ( -16.091 11.845 -0.000) 19.981 11.384 ( -2.757 -17.479 0.000) 17.695 11.691 ( 9.524 11.876 -0.000) 15.223 12.301 ( 0.185 1.262 -0.000) 1.276 12.890 ( 1.654 -1.851 0.000) 2.482 12.913 ( 13.308 -11.372 0.000) 17.505 13.155 ( -12.366 3.432 -0.000) 12.834 14.572 ( -21.511 -8.451 -0.000) 23.112 18.854 ( 4.499 -7.050 0.000) 8.364 19.121 ( 3.399 -1.370 0.000) 3.665 19.388 ( -1.653 3.320 -0.000) 3.709 19.710 ( -1.161 2.859 -0.000) 3.085 20.856 ( 5.238 11.637 -0.000) 12.762 22.015 ( 0.367 3.892 -0.000) 3.910 22.084 ( -2.276 -4.232 0.000) 4.806 22.693 ( -12.277 -12.172 -0.000) 17.289 ======================= Grid point 90 (66/131) ======================= q-point: (-0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 13.477 -6.101 -16.281) 21.998 1.850 ( 18.717 -4.112 -13.841) 23.639 2.931 ( 4.263 -1.777 -4.511) 6.456 3.315 ( 9.447 1.238 4.013) 10.338 3.342 ( 12.480 -5.991 -10.804) 17.560 3.815 ( -3.286 -2.614 -6.404) 7.658 4.623 ( 8.781 -4.212 6.350) 11.626 4.717 ( 8.175 -2.497 4.151) 9.502 5.143 ( 1.420 -0.197 10.501) 10.598 5.451 ( 2.198 0.908 -3.009) 3.835 5.809 ( 8.521 -6.551 6.189) 12.402 5.890 ( -2.942 -2.088 12.017) 12.547 6.928 ( -0.808 -2.527 5.506) 6.112 7.085 ( 0.744 -0.218 10.669) 10.697 7.747 ( -3.328 7.834 4.939) 9.841 8.039 ( -8.045 -0.589 1.168) 8.150 8.799 ( -16.507 5.526 -19.336) 26.017 9.069 ( -0.163 3.702 -1.538) 4.012 9.088 ( -0.828 -2.653 8.129) 8.591 9.905 ( -11.840 3.696 -6.817) 14.153 10.186 ( 2.702 5.884 -17.371) 18.539 11.211 ( 9.979 -6.639 -5.169) 13.053 11.824 ( 9.560 -5.344 7.345) 13.187 12.026 ( 6.385 -2.792 -0.706) 7.004 12.199 ( 2.839 -2.817 -0.047) 3.999 12.922 ( -4.330 0.847 17.864) 18.401 14.568 ( -25.709 12.873 -19.831) 34.928 15.239 ( -14.097 12.320 7.358) 20.116 18.709 ( -5.015 4.388 3.626) 7.586 19.263 ( 1.143 -2.005 1.402) 2.701 19.659 ( -5.182 -1.719 -14.099) 15.119 19.965 ( -7.144 3.651 -4.317) 9.111 20.515 ( 8.587 -5.151 -6.163) 11.758 21.849 ( 3.791 0.206 -1.303) 4.014 22.217 ( -0.587 -0.869 3.710) 3.855 22.407 ( 12.713 -3.124 20.418) 24.254 ======================= Grid point 92 (67/131) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -9.989 6.459 -0.000) 11.896 2.500 ( -3.928 1.018 -0.000) 4.058 2.968 ( -11.571 -6.210 -0.000) 13.132 3.066 ( -5.817 -14.982 0.000) 16.072 3.361 ( 3.290 12.558 -0.000) 12.982 4.031 ( -11.566 10.578 -0.000) 15.674 4.767 ( 0.576 -6.382 0.000) 6.408 4.835 ( 1.182 -1.237 0.000) 1.711 5.589 ( 1.679 -12.154 0.000) 12.269 5.928 ( 4.230 1.016 0.000) 4.350 6.370 ( 8.073 8.916 -0.000) 12.028 6.375 ( 3.456 6.590 -0.000) 7.441 6.600 ( 2.347 -7.427 0.000) 7.790 6.739 ( 1.351 -11.709 0.000) 11.787 7.230 ( 5.317 -7.034 0.000) 8.818 7.900 ( -4.310 9.125 -0.000) 10.092 8.476 ( 12.202 6.024 0.000) 13.607 9.147 ( 0.811 -11.056 0.000) 11.086 9.562 ( -15.808 9.709 -0.000) 18.552 9.604 ( 0.040 5.148 -0.000) 5.148 10.061 ( -1.468 15.530 -0.000) 15.600 10.924 ( -5.858 -20.310 0.000) 21.138 12.140 ( 11.660 13.648 -0.000) 17.951 12.331 ( 1.566 -0.902 0.000) 1.808 12.805 ( -1.758 -7.511 0.000) 7.714 12.946 ( 8.457 -10.032 0.000) 13.121 13.018 ( -8.363 5.978 -0.000) 10.280 14.093 ( -20.420 2.677 -0.000) 20.595 18.763 ( 3.134 -9.190 0.000) 9.709 19.146 ( -3.594 5.253 -0.000) 6.364 19.454 ( 5.732 -1.408 0.000) 5.903 19.807 ( 0.126 6.315 -0.000) 6.316 21.241 ( 7.292 16.029 -0.000) 17.610 21.936 ( -5.938 -7.289 0.000) 9.402 22.082 ( -0.882 3.675 -0.000) 3.780 22.156 ( -11.008 -14.191 0.000) 17.961 ======================= Grid point 93 (68/131) ======================= q-point: ( 0.10 0.90 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -2.526 0.405 -0.000) 2.558 2.349 ( -8.958 -1.929 -0.000) 9.163 2.777 ( -2.658 -1.377 -0.000) 2.993 2.841 ( 1.085 6.362 -0.000) 6.454 3.683 ( 4.439 11.571 -0.000) 12.393 3.869 ( -18.140 2.145 -0.000) 18.266 4.760 ( 4.673 -0.763 0.000) 4.735 4.847 ( 1.052 -0.106 0.000) 1.057 5.394 ( 7.522 -15.170 0.000) 16.933 5.922 ( -4.238 -0.610 -0.000) 4.282 6.515 ( 5.304 -8.401 0.000) 9.935 6.516 ( 6.674 -7.996 0.000) 10.416 6.600 ( 3.652 3.617 0.000) 5.140 6.628 ( -0.560 -1.010 0.000) 1.155 7.262 ( 8.376 -4.153 0.000) 9.349 8.004 ( -8.243 13.591 -0.000) 15.895 8.716 ( 7.962 -0.597 0.000) 7.984 8.975 ( 2.250 -6.899 0.000) 7.257 9.402 ( -15.061 3.494 -0.000) 15.461 9.511 ( -7.070 2.734 -0.000) 7.580 10.423 ( -8.679 -14.404 0.000) 16.816 10.616 ( 11.927 19.945 -0.000) 23.239 12.207 ( -6.635 -9.908 0.000) 11.925 12.572 ( 9.098 -0.017 0.000) 9.098 12.631 ( 0.574 -5.103 0.000) 5.135 12.960 ( 9.974 3.514 0.000) 10.575 13.047 ( -6.528 10.975 -0.000) 12.770 13.871 ( -14.258 7.598 -0.000) 16.156 18.648 ( 2.999 -8.299 0.000) 8.824 19.215 ( -3.338 9.060 -0.000) 9.656 19.533 ( 5.577 -2.447 0.000) 6.090 19.909 ( -2.357 5.941 -0.000) 6.391 21.368 ( -14.096 -20.914 0.000) 25.221 21.755 ( 9.392 18.884 -0.000) 21.091 21.972 ( -0.001 -2.132 0.000) 2.132 22.131 ( -0.978 3.609 -0.000) 3.739 ======================= Grid point 98 (69/131) ======================= q-point: ( 0.60 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 7.511 -0.296 -8.853) 11.614 2.426 ( -4.062 0.644 -3.869) 5.646 2.772 ( 0.220 -4.109 0.801) 4.192 3.248 ( 3.700 -10.587 4.037) 11.920 3.709 ( -3.881 3.311 -1.059) 5.210 4.182 ( -1.645 -16.673 0.799) 16.773 4.833 ( 0.725 -1.343 2.817) 3.204 4.987 ( -3.068 -3.772 4.541) 6.653 5.420 ( -6.605 6.137 -11.626) 14.712 5.602 ( 9.791 3.628 0.058) 10.441 6.141 ( -2.967 9.295 0.129) 9.758 6.354 ( -10.990 6.644 2.336) 13.053 6.496 ( 13.970 3.652 -1.509) 14.518 6.775 ( 5.813 -0.730 -3.828) 6.999 7.310 ( -3.317 0.337 3.797) 5.053 8.020 ( 0.035 -6.801 2.097) 7.118 8.529 ( -3.672 10.231 8.777) 13.971 9.079 ( -3.031 -0.320 0.439) 3.079 9.267 ( 2.521 7.230 -10.542) 13.029 9.574 ( -5.873 -4.025 -2.751) 7.633 10.286 ( -5.609 -15.801 -0.168) 16.768 11.098 ( 16.788 -1.969 4.413) 17.470 11.777 ( -2.527 8.132 -5.884) 10.351 12.347 ( -1.353 3.903 2.594) 4.877 12.711 ( 0.769 0.737 -4.034) 4.172 12.796 ( -1.632 9.179 1.394) 9.426 13.608 ( 1.375 -11.961 10.834) 16.196 14.329 ( -1.081 -20.065 -5.839) 20.925 18.569 ( 0.497 1.804 -3.810) 4.245 19.280 ( 5.948 12.748 5.533) 15.116 19.559 ( -1.608 -10.663 2.067) 10.980 19.776 ( -4.957 0.258 1.619) 5.221 20.894 ( -0.699 6.689 -9.402) 11.560 21.968 ( 0.469 -1.246 -0.579) 1.451 22.146 ( -0.595 -0.283 1.662) 1.788 22.505 ( 0.708 -13.275 3.836) 13.836 ======================= Grid point 100 (70/131) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -12.885 -2.933 -0.000) 13.215 2.254 ( 4.743 2.060 0.000) 5.171 2.907 ( 6.942 8.189 -0.000) 10.736 3.177 ( 11.726 9.052 0.000) 14.813 3.481 ( -20.002 -1.127 -0.000) 20.034 3.980 ( 0.276 13.087 -0.000) 13.090 4.832 ( 1.930 0.559 0.000) 2.009 4.900 ( 2.988 4.349 -0.000) 5.277 5.390 ( 16.820 -9.259 0.000) 19.200 5.741 ( -7.846 -5.806 -0.000) 9.760 6.383 ( -0.415 -9.622 0.000) 9.631 6.460 ( -0.118 -4.157 0.000) 4.158 6.528 ( -4.167 -2.953 -0.000) 5.107 6.661 ( 3.745 -5.072 0.000) 6.305 7.388 ( 10.236 -2.041 0.000) 10.437 8.083 ( -8.753 11.000 -0.000) 14.058 8.814 ( 6.701 -1.667 0.000) 6.906 9.023 ( -7.511 -3.380 -0.000) 8.237 9.043 ( 1.022 -6.561 0.000) 6.640 9.578 ( 2.960 6.601 -0.000) 7.234 10.113 ( -11.194 2.816 -0.000) 11.543 11.114 ( 7.089 10.839 -0.000) 12.951 11.770 ( -12.170 -13.066 0.000) 17.856 12.553 ( 0.651 -2.925 0.000) 2.997 12.606 ( 5.561 -4.888 0.000) 7.404 12.974 ( 1.323 -6.975 0.000) 7.099 13.618 ( 10.828 28.464 -0.000) 30.454 13.776 ( -10.562 6.328 -0.000) 12.313 18.571 ( 4.187 -6.563 0.000) 7.784 19.365 ( -1.638 10.949 -0.000) 11.071 19.532 ( 0.381 -5.176 0.000) 5.190 19.941 ( -5.069 4.679 -0.000) 6.899 20.768 ( -6.436 -17.461 0.000) 18.609 21.958 ( 0.322 -0.298 0.000) 0.439 22.119 ( -1.038 4.896 -0.000) 5.005 22.365 ( 10.364 15.348 -0.000) 18.520 ======================= Grid point 101 (71/131) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -17.514 -1.016 -0.000) 17.543 2.233 ( -8.528 -5.564 -0.000) 10.183 3.142 ( -3.548 2.848 -0.000) 4.550 3.312 ( 4.320 10.232 -0.000) 11.107 3.448 ( 7.006 -1.423 0.000) 7.149 4.048 ( -16.104 6.435 -0.000) 17.342 4.878 ( 1.585 1.088 0.000) 1.923 5.200 ( 8.813 3.178 0.000) 9.369 5.451 ( -8.068 2.194 -0.000) 8.361 5.521 ( 7.465 -7.985 0.000) 10.931 6.083 ( -10.138 -7.432 -0.000) 12.571 6.308 ( -6.730 -2.560 -0.000) 7.201 6.606 ( 14.418 4.606 0.000) 15.136 6.675 ( 12.651 -8.946 0.000) 15.494 7.509 ( 4.687 -2.809 0.000) 5.464 8.098 ( -4.119 3.962 -0.000) 5.715 8.466 ( -15.062 -11.547 -0.000) 18.979 8.955 ( 7.414 1.545 0.000) 7.573 9.305 ( 12.467 1.923 0.000) 12.614 9.742 ( -1.138 4.713 -0.000) 4.848 10.051 ( -13.728 15.451 -0.000) 20.669 11.280 ( -10.444 -14.413 0.000) 17.799 11.350 ( 7.844 1.668 0.000) 8.020 12.564 ( -1.082 2.033 -0.000) 2.303 12.669 ( 10.127 -3.883 0.000) 10.846 12.828 ( -0.616 -6.385 0.000) 6.415 13.678 ( -9.168 3.012 -0.000) 9.650 14.397 ( 15.409 24.022 -0.000) 28.540 18.565 ( 5.761 -3.758 0.000) 6.878 19.311 ( -6.655 -8.849 0.000) 11.072 19.572 ( 3.007 7.906 -0.000) 8.459 19.891 ( -6.917 2.008 -0.000) 7.203 20.484 ( -0.364 -6.635 0.000) 6.645 21.950 ( -1.244 -0.044 -0.000) 1.245 22.169 ( 0.700 1.932 -0.000) 2.055 22.833 ( 8.282 12.034 -0.000) 14.609 ======================= Grid point 102 (72/131) ======================= q-point: ( 0.60 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -8.235 -2.758 2.697) 9.094 2.494 ( -3.133 4.399 0.232) 5.406 2.693 ( 3.241 -5.726 -6.803) 9.464 3.041 ( 3.441 -14.193 -1.855) 14.722 3.731 ( 0.811 1.239 3.089) 3.425 3.925 ( 3.638 -7.709 5.976) 10.410 4.843 ( -1.479 -2.645 -1.964) 3.611 4.895 ( 0.926 1.928 -0.640) 2.233 5.428 ( -7.921 9.159 -13.412) 18.070 5.766 ( 1.992 0.390 1.595) 2.582 6.237 ( -9.170 13.535 3.204) 16.659 6.342 ( -5.152 7.809 1.868) 9.540 6.683 ( 5.574 -5.029 -0.700) 7.539 6.872 ( 2.541 -2.942 -6.989) 7.997 7.272 ( -2.000 3.579 -3.657) 5.493 7.927 ( 5.884 -8.878 8.709) 13.758 8.703 ( 0.273 9.381 5.764) 11.014 9.058 ( -0.014 0.772 -7.024) 7.066 9.246 ( -5.796 -0.712 -0.131) 5.841 9.602 ( 6.362 0.971 -0.837) 6.490 9.991 ( -2.521 -2.461 8.098) 8.831 11.141 ( 2.260 -13.304 -4.243) 14.146 11.936 ( 1.641 7.779 3.149) 8.551 12.422 ( -0.971 6.900 2.032) 7.258 12.674 ( -6.521 0.475 -4.109) 7.722 12.954 ( -1.574 7.793 -4.869) 9.323 13.414 ( 9.077 -16.312 7.815) 20.237 14.043 ( 9.172 -16.184 -2.288) 18.742 18.639 ( -0.654 3.646 -5.631) 6.740 19.328 ( -0.659 -7.376 3.149) 8.047 19.558 ( 2.050 1.199 0.081) 2.376 19.745 ( 0.928 3.929 6.276) 7.463 21.006 ( -4.068 9.146 0.840) 10.046 21.937 ( -1.734 -0.287 -1.195) 2.125 22.134 ( 2.004 -2.233 2.287) 3.773 22.276 ( 4.419 -12.726 -6.052) 14.769 ======================= Grid point 103 (73/131) ======================= q-point: ( 0.60 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -1.183 8.188 9.220) 12.388 2.491 ( -2.815 2.228 5.950) 6.949 2.711 ( 4.547 -1.811 -6.975) 8.521 2.984 ( 10.420 -3.202 -4.872) 11.940 3.804 ( 2.894 -0.466 -4.464) 5.340 3.924 ( 9.059 -4.503 12.734) 16.263 4.807 ( 0.434 -0.026 -4.024) 4.048 4.950 ( 2.218 0.259 -3.797) 4.405 5.465 ( -6.590 9.452 -5.982) 12.983 5.697 ( -6.316 -2.613 5.216) 8.598 6.290 ( -11.468 9.758 1.107) 15.098 6.381 ( -4.773 6.757 3.123) 8.843 6.629 ( 0.916 -6.578 -1.630) 6.838 6.745 ( -3.663 -3.672 -3.935) 6.511 7.344 ( 0.294 2.157 -8.671) 8.940 7.905 ( 8.550 -6.460 6.472) 12.519 8.733 ( -6.151 -0.549 -4.144) 7.437 9.092 ( 1.279 -0.017 -6.072) 6.205 9.275 ( -0.346 6.602 12.526) 14.163 9.623 ( 6.887 -8.980 3.782) 11.932 10.107 ( 4.592 4.862 7.505) 10.053 10.907 ( -1.286 -2.965 -9.818) 10.336 11.956 ( -6.225 -0.716 10.100) 11.885 12.484 ( -6.882 -0.025 -3.513) 7.727 12.634 ( 0.691 7.029 -0.673) 7.095 12.958 ( -5.756 0.551 -2.850) 6.447 13.403 ( 13.919 -7.966 -6.151) 17.177 14.060 ( 17.492 -9.410 4.702) 20.411 18.629 ( -4.152 0.643 -1.242) 4.381 19.297 ( 1.033 2.516 -2.197) 3.496 19.506 ( -0.309 -3.461 -0.750) 3.554 19.836 ( 2.053 -1.394 2.455) 3.491 21.023 ( -8.298 4.026 12.524) 15.553 21.929 ( -0.025 1.613 -1.105) 1.955 22.149 ( 2.177 -1.534 0.608) 2.732 22.255 ( 12.463 -4.719 -11.385) 17.527 ======================= Grid point 104 (74/131) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -24.220 9.718 -0.000) 26.097 1.746 ( -22.894 -8.629 -0.000) 24.466 3.222 ( 0.004 7.577 -0.000) 7.577 3.281 ( -22.634 -11.898 -0.000) 25.571 3.561 ( 3.520 2.553 0.000) 4.348 3.700 ( -11.619 -1.352 -0.000) 11.697 4.903 ( -1.879 -0.326 -0.000) 1.907 4.981 ( -9.957 -3.753 -0.000) 10.641 5.389 ( -1.887 -3.182 0.000) 3.699 5.766 ( 3.570 11.967 -0.000) 12.488 5.807 ( -4.661 -6.449 0.000) 7.957 6.152 ( 2.225 -9.736 0.000) 9.987 6.781 ( 11.775 -4.867 0.000) 12.741 7.181 ( 22.492 11.156 0.000) 25.107 7.451 ( -2.913 -0.790 -0.000) 3.018 8.097 ( 3.558 -2.383 0.000) 4.282 8.125 ( -4.810 -5.084 0.000) 6.998 9.132 ( 4.696 3.937 0.000) 6.128 9.484 ( 6.032 -2.614 0.000) 6.574 9.644 ( -10.248 -2.489 -0.000) 10.546 10.244 ( -10.196 29.112 -0.000) 30.846 10.797 ( -6.863 -18.263 0.000) 19.510 11.585 ( 12.481 2.377 0.000) 12.705 12.442 ( -7.847 -4.050 -0.000) 8.830 12.823 ( 3.705 0.869 0.000) 3.805 12.829 ( 11.389 -2.523 0.000) 11.665 13.546 ( -6.605 -0.070 -0.000) 6.605 15.106 ( 17.691 14.542 0.000) 22.900 18.661 ( 6.724 1.562 0.000) 6.903 19.023 ( -3.940 -8.024 0.000) 8.939 19.747 ( -7.429 -2.568 -0.000) 7.860 19.785 ( 5.670 4.843 0.000) 7.457 20.394 ( -3.507 -0.570 -0.000) 3.553 21.896 ( -3.776 -0.523 -0.000) 3.812 22.234 ( 3.050 0.946 0.000) 3.194 23.124 ( 4.459 5.036 -0.000) 6.727 ======================= Grid point 110 (75/131) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 0.000 -28.848) 28.848 0.637 ( 0.000 0.000 -28.848) 28.848 1.248 ( 0.000 0.000 -56.199) 56.199 3.295 ( -0.000 -0.000 5.138) 5.138 3.295 ( -0.000 -0.000 5.138) 5.138 3.673 ( 0.000 0.000 -6.298) 6.298 4.465 ( -0.000 -0.000 2.499) 2.499 4.465 ( -0.000 -0.000 2.499) 2.499 5.466 ( -0.000 -0.000 7.859) 7.859 5.536 ( -0.000 -0.000 3.134) 3.134 5.536 ( -0.000 -0.000 3.134) 3.134 6.251 ( -0.000 -0.000 8.959) 8.959 7.214 ( -0.000 -0.000 5.766) 5.766 7.214 ( -0.000 -0.000 5.766) 5.766 7.325 ( 0.000 0.000 -3.884) 3.884 8.776 ( -0.000 -0.000 10.351) 10.351 9.084 ( -0.000 -0.000 4.611) 4.611 9.084 ( -0.000 -0.000 4.611) 4.611 9.676 ( 0.000 0.000 -13.538) 13.538 9.993 ( 0.000 0.000 -7.037) 7.037 10.462 ( 0.000 0.000 -2.030) 2.030 10.503 ( 0.000 0.000 -6.954) 6.954 10.503 ( 0.000 0.000 -6.954) 6.954 12.057 ( 0.000 0.000 -0.770) 0.770 12.057 ( 0.000 0.000 -0.770) 0.770 13.368 ( -0.000 -0.000 10.129) 10.129 15.741 ( -0.000 -0.000 2.613) 2.613 15.874 ( -0.000 -0.000 8.354) 8.354 19.245 ( -0.000 -0.000 0.962) 0.962 19.245 ( -0.000 -0.000 0.962) 0.962 19.324 ( 0.000 0.000 -15.797) 15.797 20.150 ( 0.000 0.000 -1.023) 1.023 20.150 ( 0.000 0.000 -1.023) 1.023 21.652 ( -0.000 -0.000 4.862) 4.862 21.689 ( 0.000 0.000 -1.960) 1.960 22.372 ( -0.000 -0.000 2.929) 2.929 ======================= Grid point 111 (76/131) ======================= q-point: ( 0.38 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 4.445 5.685 -5.730) 9.215 2.554 ( 7.084 6.430 5.089) 10.837 2.928 ( -1.414 -4.163 -7.243) 8.473 3.437 ( -2.042 -6.732 -1.066) 7.116 3.479 ( -0.202 3.705 7.713) 8.559 4.517 ( 1.058 9.884 4.467) 10.898 4.917 ( -2.838 -3.075 6.578) 7.796 4.982 ( -6.558 -7.946 1.925) 10.481 5.321 ( 8.444 -2.990 -3.825) 9.741 5.711 ( -1.185 -1.320 -11.213) 11.352 6.064 ( -2.373 1.002 -3.900) 4.674 6.098 ( 3.638 -1.361 -2.376) 4.553 6.362 ( 1.203 -0.911 3.365) 3.688 6.746 ( 4.060 -6.077 8.158) 10.953 7.434 ( -1.790 0.378 -4.852) 5.185 7.884 ( -3.884 -2.442 13.572) 14.326 8.306 ( -5.291 14.439 -4.147) 15.927 9.018 ( 2.060 -2.512 2.673) 4.207 9.168 ( 2.139 -7.394 0.631) 7.723 9.841 ( 4.115 4.594 -11.860) 13.368 10.873 ( 0.344 0.157 -5.508) 5.521 11.054 ( -3.431 4.735 -1.893) 6.146 11.396 ( 4.000 5.214 9.034) 11.171 12.343 ( 0.833 -6.264 -1.173) 6.427 12.534 ( -3.889 0.264 1.711) 4.257 12.696 ( 3.265 -6.302 0.645) 7.127 13.788 ( -6.252 7.351 3.168) 10.157 14.862 ( 3.193 -0.984 -2.658) 4.269 18.627 ( 7.879 -2.096 2.103) 8.420 18.854 ( -9.473 0.078 -1.848) 9.652 19.728 ( 1.532 0.760 0.059) 1.712 19.883 ( -5.216 4.488 -1.223) 6.989 20.715 ( 7.483 3.700 2.336) 8.669 22.024 ( 1.056 1.168 -0.603) 1.686 22.117 ( -1.628 -1.420 0.459) 2.209 22.814 ( -2.575 -8.687 -1.659) 9.211 ======================= Grid point 112 (77/131) ======================= q-point: (-0.62 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 5.927 -5.756 -9.231) 12.388 2.564 ( -1.933 -8.526 -6.514) 10.902 2.839 ( -3.552 -0.605 -2.121) 4.181 3.233 ( -4.793 -6.644 3.408) 8.873 3.638 ( 2.214 8.230 7.683) 11.474 4.531 ( -6.589 -4.166 -7.532) 10.840 4.729 ( -1.269 -4.986 7.675) 9.240 4.809 ( -0.010 -4.088 7.913) 8.906 5.335 ( 4.043 -13.136 -6.027) 15.007 5.590 ( -1.215 -0.203 -0.031) 1.233 6.004 ( 7.714 -14.505 -4.655) 17.075 6.102 ( 7.308 -7.716 -1.818) 10.782 6.440 ( 0.744 6.126 4.440) 7.602 6.773 ( -2.470 7.054 7.843) 10.834 7.306 ( -9.203 2.584 0.973) 9.608 7.982 ( 6.622 2.725 6.549) 9.703 8.584 ( -1.187 13.908 -3.878) 14.487 8.989 ( 1.039 -2.958 2.890) 4.264 9.290 ( 10.817 7.124 -6.040) 14.291 9.929 ( 0.679 -0.422 -4.942) 5.006 10.791 ( -13.673 -6.110 -7.304) 16.662 10.814 ( -8.651 4.251 -3.800) 10.361 11.726 ( 12.203 5.241 2.013) 13.432 12.249 ( 0.418 -5.229 -0.357) 5.258 12.521 ( 5.120 -2.141 8.276) 9.965 12.634 ( 2.396 -7.047 1.534) 7.600 13.825 ( -10.979 14.912 1.520) 18.580 14.844 ( -11.761 7.300 -3.325) 14.236 18.649 ( -5.190 0.132 -2.204) 5.640 18.834 ( 10.310 -1.543 4.542) 11.372 19.802 ( -4.017 4.834 -2.370) 6.717 19.872 ( -2.042 5.723 0.475) 6.095 20.964 ( 11.197 2.774 -7.173) 13.584 21.988 ( -2.381 -2.189 -0.976) 3.378 22.129 ( 1.659 1.390 1.290) 2.519 22.466 ( -10.218 -13.053 7.486) 18.189 ======================= Grid point 115 (78/131) ======================= q-point: (-0.62 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -1.499 -9.581 -12.959) 16.186 2.372 ( 3.884 -7.587 -4.921) 9.842 2.774 ( -3.068 0.573 0.465) 3.156 3.042 ( -4.208 -0.458 7.125) 8.287 3.779 ( 0.743 3.532 0.327) 3.624 4.332 ( -3.033 -8.110 -9.160) 12.605 4.658 ( 0.910 -0.009 6.553) 6.616 4.751 ( 3.806 -4.224 5.522) 7.926 5.104 ( -1.550 -10.534 1.400) 10.739 5.621 ( 8.608 -4.018 -3.480) 10.117 5.904 ( 8.148 -11.873 1.678) 14.497 6.075 ( 8.121 -11.301 2.403) 14.122 6.602 ( 4.369 5.405 5.914) 9.126 6.909 ( -1.622 10.758 5.256) 12.082 7.195 ( -9.992 3.417 4.030) 11.302 8.162 ( 5.075 2.645 -1.143) 5.836 8.718 ( -2.051 5.631 -0.470) 6.011 8.962 ( -0.792 -0.771 3.411) 3.586 9.432 ( -1.691 -7.462 -13.304) 15.348 9.906 ( -8.042 -0.210 4.207) 9.078 10.491 ( -9.412 4.178 -18.759) 21.399 10.891 ( 2.487 14.068 2.719) 14.542 12.022 ( 10.421 0.763 -4.831) 11.512 12.165 ( 5.632 -7.513 3.198) 9.919 12.485 ( -0.965 -9.154 0.629) 9.227 12.588 ( 5.315 -3.923 13.969) 15.452 13.980 ( -12.470 24.612 -2.221) 27.680 14.690 ( -20.036 9.308 -1.572) 22.148 18.560 ( -3.203 -0.564 1.208) 3.469 19.056 ( 10.888 2.318 2.321) 11.372 19.745 ( -8.834 5.056 -0.795) 10.210 20.001 ( 0.306 5.078 -3.191) 6.005 21.156 ( 4.725 -6.482 -18.678) 20.328 21.868 ( -2.470 -3.510 3.954) 5.835 22.095 ( -2.343 -3.444 15.458) 16.009 22.190 ( 1.026 0.734 0.708) 1.447 ======================= Grid point 116 (79/131) ======================= q-point: (-0.62 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.665 -2.117 -5.382) 7.430 2.356 ( 3.917 -2.839 -4.188) 6.399 2.782 ( 0.073 3.950 0.260) 3.959 3.097 ( 3.231 5.043 10.093) 11.737 3.882 ( -0.451 2.772 -8.140) 8.611 4.107 ( 3.223 -6.246 -3.804) 7.992 4.752 ( 4.870 1.270 0.716) 5.084 4.806 ( 5.159 -0.834 1.360) 5.400 4.931 ( -0.257 -2.311 8.302) 8.622 5.756 ( 8.911 -2.919 -3.810) 10.121 5.827 ( 9.281 -12.056 4.301) 15.811 6.001 ( 7.065 -9.780 3.910) 12.683 6.756 ( 0.777 3.477 6.189) 7.142 6.979 ( -6.754 -6.691 5.064) 10.771 7.152 ( -4.648 17.261 2.043) 17.992 8.198 ( 0.247 -5.818 -4.299) 7.238 8.770 ( -2.207 3.076 -1.277) 3.995 8.927 ( -1.168 0.061 4.940) 5.077 9.165 ( -5.296 -7.985 -7.659) 12.266 9.681 ( -7.861 0.818 2.395) 8.259 10.490 ( -6.256 9.610 -19.654) 22.754 11.308 ( 3.608 14.250 3.743) 15.168 11.937 ( -3.763 -11.027 -3.167) 12.075 12.284 ( 2.402 -6.325 1.387) 6.907 12.362 ( 12.903 -2.097 1.093) 13.118 12.555 ( 2.669 -6.574 12.559) 14.425 14.213 ( -14.357 19.119 -9.811) 25.844 14.510 ( -15.926 14.492 5.233) 22.159 18.502 ( -2.124 0.095 3.351) 3.968 19.292 ( 5.657 1.617 1.089) 5.984 19.687 ( -4.760 3.054 -0.003) 5.656 20.010 ( -4.737 0.416 -10.875) 11.870 20.845 ( -5.487 -12.820 -2.302) 14.134 21.915 ( 3.095 1.928 -1.656) 4.005 22.187 ( 1.190 -0.122 1.605) 2.002 22.241 ( 8.555 6.018 9.275) 13.980 ======================= Grid point 117 (80/131) ======================= q-point: (-0.13 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 1.311 15.382 -6.883) 16.902 2.280 ( 8.831 10.880 -4.175) 14.621 2.939 ( -1.712 -1.623 6.973) 7.362 3.231 ( -10.683 -5.351 5.565) 13.181 3.636 ( 7.291 -3.054 -10.229) 12.928 3.798 ( 0.287 1.337 -3.118) 3.404 4.894 ( 0.446 -1.515 -1.068) 1.906 5.064 ( -4.967 -9.982 8.046) 13.749 5.473 ( 4.471 15.311 6.371) 17.176 5.680 ( 5.345 9.285 0.620) 10.731 6.094 ( 7.684 -0.506 2.044) 7.968 6.176 ( 5.184 5.473 -3.376) 8.260 6.818 ( -15.004 -8.803 -1.530) 17.463 6.984 ( -8.166 3.214 3.474) 9.438 7.483 ( 6.229 -3.134 10.901) 12.941 7.848 ( -3.649 -5.812 -7.031) 9.825 8.464 ( 17.713 1.446 -14.243) 22.775 9.142 ( -7.259 6.251 2.590) 9.924 9.308 ( -1.035 -3.235 10.622) 11.152 9.688 ( 0.260 -7.008 -4.663) 8.422 9.766 ( 2.446 1.947 -6.572) 7.278 11.268 ( -8.571 5.311 8.659) 13.291 11.718 ( -0.185 5.053 -10.767) 11.895 12.421 ( 6.669 -3.083 -0.306) 7.353 12.684 ( 1.626 5.927 9.323) 11.166 13.038 ( -4.493 0.049 0.130) 4.495 13.442 ( 2.621 -10.241 -7.670) 13.060 14.344 ( -21.309 -17.173 2.078) 27.446 18.748 ( -3.825 4.180 6.516) 8.635 19.222 ( 2.363 -0.424 -4.973) 5.523 19.595 ( -3.486 -1.461 0.361) 3.797 19.691 ( 8.088 -4.926 -3.782) 10.197 20.738 ( 2.703 10.993 -5.574) 12.618 21.938 ( 0.690 1.886 1.425) 2.463 22.148 ( -1.533 -3.357 -1.456) 3.967 22.631 ( -8.079 -11.268 9.028) 16.545 ======================= Grid point 118 (81/131) ======================= q-point: (-0.13 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 2.818 7.353 -5.114) 9.389 2.390 ( -5.335 0.504 -3.606) 6.459 2.836 ( -10.328 -6.754 6.484) 13.940 2.928 ( -2.523 -7.893 10.759) 13.580 3.525 ( -0.161 -1.801 -12.656) 12.785 3.806 ( -1.688 -1.737 1.300) 2.749 4.840 ( -0.222 -0.569 0.263) 0.665 4.911 ( -0.192 -2.442 -2.166) 3.270 5.701 ( 2.338 2.043 2.619) 4.062 5.786 ( -5.092 5.664 3.032) 8.197 6.403 ( 7.020 5.212 -2.277) 9.034 6.440 ( 12.518 7.000 -2.861) 14.624 6.628 ( -1.737 2.457 0.827) 3.121 6.849 ( -6.506 -1.470 -0.604) 6.697 7.493 ( 4.705 -5.286 7.458) 10.281 7.652 ( -5.243 -4.043 -1.126) 6.716 8.816 ( 14.113 -0.127 -4.650) 14.860 9.092 ( -8.330 5.218 -0.632) 9.850 9.248 ( -3.619 0.232 5.006) 6.182 9.449 ( -8.185 -6.696 -1.762) 10.720 10.014 ( 12.968 8.859 -3.948) 16.194 11.029 ( -10.413 -9.433 4.873) 14.871 11.971 ( 5.037 14.594 -3.497) 15.829 12.508 ( 7.188 -1.782 -2.012) 7.674 12.739 ( -3.163 2.398 2.540) 4.712 12.937 ( -4.552 -7.229 -1.937) 8.760 13.352 ( 6.322 -6.920 4.855) 10.556 13.715 ( -16.322 -6.720 -2.559) 17.836 18.792 ( -1.752 6.162 3.676) 7.385 19.114 ( -1.051 -9.052 -3.988) 9.947 19.641 ( 1.608 4.153 2.238) 4.985 19.733 ( 4.001 -2.982 -1.661) 5.259 21.068 ( 5.673 15.539 -4.384) 17.113 21.975 ( 0.016 1.169 1.162) 1.648 22.028 ( -3.531 -7.156 -1.424) 8.106 22.192 ( -8.581 -12.221 4.701) 15.655 ======================= Grid point 119 (82/131) ======================= q-point: (-0.62 -0.12 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 4.126 -0.763 -4.159) 5.908 2.436 ( 1.720 6.114 1.715) 6.579 2.874 ( 1.416 2.468 -3.310) 4.365 3.283 ( 7.555 2.006 9.340) 12.179 3.681 ( -9.193 -5.019 -3.248) 10.967 4.395 ( 9.462 9.073 -0.985) 13.146 4.835 ( 6.549 -2.266 5.594) 8.906 4.971 ( 4.659 3.321 -2.081) 6.088 5.000 ( 8.521 2.759 0.332) 8.963 5.723 ( 0.518 -2.946 -0.325) 3.009 5.919 ( 11.753 -4.784 -2.651) 12.963 6.017 ( 8.452 -3.693 1.710) 9.381 6.630 ( -11.361 -8.130 3.595) 14.426 6.754 ( -6.852 2.114 8.997) 11.505 7.388 ( -2.207 10.950 -1.218) 11.237 7.993 ( 0.493 -11.789 0.534) 11.812 8.657 ( -9.400 -3.809 -9.421) 13.842 8.971 ( 3.870 -0.045 7.235) 8.206 9.016 ( -2.081 2.222 1.880) 3.578 9.719 ( 1.161 7.481 -3.627) 8.395 10.626 ( -1.003 11.840 -14.301) 18.594 11.450 ( -6.210 3.791 5.947) 9.397 11.533 ( -8.833 -15.394 -1.968) 17.857 12.269 ( 2.937 -1.725 1.658) 3.788 12.526 ( 4.563 0.865 7.692) 8.985 12.545 ( 9.440 -5.544 -0.528) 10.961 14.058 ( -13.539 0.046 -4.261) 14.194 14.696 ( -6.700 18.929 0.567) 20.087 18.501 ( -0.706 3.386 3.335) 4.805 19.160 ( -3.127 -14.629 -1.614) 15.047 19.701 ( -1.396 3.349 0.397) 3.650 19.963 ( -2.777 2.809 -10.035) 10.784 20.668 ( -1.933 0.776 5.810) 6.172 21.993 ( 0.956 2.070 -0.955) 2.472 22.148 ( -0.131 -2.463 0.248) 2.479 22.590 ( 11.634 4.787 2.981) 12.929 ======================= Grid point 121 (83/131) ======================= q-point: (-0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -5.147 -2.572 -4.841) 7.519 2.255 ( 5.147 2.572 -4.841) 7.519 2.677 ( -1.123 -3.915 6.961) 8.065 2.677 ( 1.123 3.915 6.961) 8.065 3.665 ( -6.549 -3.482 -2.209) 7.739 3.665 ( 6.549 3.482 -2.209) 7.739 4.869 ( -1.199 -0.903 -2.106) 2.586 4.869 ( 1.199 0.903 -2.106) 2.586 5.761 ( 2.938 -3.547 0.030) 4.606 5.761 ( -2.938 3.547 0.030) 4.606 6.591 ( -2.799 -2.723 1.210) 4.089 6.591 ( 2.799 2.723 1.210) 4.089 6.715 ( -4.048 -2.514 -2.786) 5.520 6.715 ( 4.048 2.514 -2.786) 5.520 7.518 ( 5.510 -7.080 3.898) 9.782 7.518 ( -5.510 7.080 3.898) 9.782 9.018 ( -0.197 -3.530 -2.261) 4.197 9.018 ( 0.197 3.530 -2.261) 4.197 9.223 ( 3.191 -7.110 1.674) 7.971 9.223 ( -3.191 7.110 1.674) 7.971 10.541 ( -12.189 -16.269 -0.303) 20.331 10.541 ( 12.189 16.269 -0.303) 20.331 12.423 ( -3.049 -19.180 1.074) 19.450 12.423 ( 3.049 19.180 1.074) 19.450 12.703 ( -2.041 -0.216 -1.381) 2.474 12.703 ( 2.041 0.216 -1.381) 2.474 13.438 ( 2.068 -7.725 0.261) 8.001 13.438 ( -2.068 7.725 0.261) 8.001 18.921 ( 1.838 -9.967 -0.170) 10.136 18.921 ( -1.838 9.967 -0.170) 10.136 19.723 ( 2.805 -4.407 0.391) 5.239 19.723 ( -2.805 4.407 0.391) 5.239 21.559 ( -8.948 -18.883 -1.060) 20.923 21.559 ( 8.948 18.883 -1.060) 20.923 22.025 ( -0.017 -3.173 0.873) 3.291 22.025 ( 0.017 3.173 0.873) 3.291 ======================= Grid point 131 (84/131) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.320 -13.521 -18.793) 23.154 1.775 ( -3.558 -20.059 -16.189) 26.021 2.896 ( -0.023 -8.751 -11.272) 14.270 3.264 ( -2.761 -5.468 9.851) 11.600 3.371 ( 3.953 -19.289 -11.259) 22.681 3.817 ( 2.390 2.305 -8.919) 9.518 4.603 ( 1.733 -8.009 6.797) 10.646 4.666 ( -2.371 -11.647 4.996) 12.893 5.116 ( -1.777 1.158 9.930) 10.154 5.514 ( 4.199 -1.814 -2.658) 5.290 5.676 ( -5.289 -7.800 6.489) 11.442 5.897 ( 2.334 2.312 12.439) 12.865 6.842 ( -3.807 5.348 4.488) 7.952 7.112 ( 1.566 -2.333 11.562) 11.899 7.823 ( 1.148 -9.167 3.200) 9.777 8.038 ( -0.585 18.622 5.353) 19.385 8.878 ( 1.628 18.403 -17.310) 25.317 9.012 ( -3.375 0.284 6.774) 7.574 9.174 ( 4.166 1.077 -3.498) 5.546 10.010 ( 5.133 9.586 -13.937) 17.677 10.348 ( 10.516 -1.475 -7.439) 12.966 10.900 ( -20.295 -7.653 -6.981) 22.786 11.811 ( 3.615 -17.785 7.021) 19.459 11.959 ( -3.805 1.692 -2.046) 4.640 12.221 ( 3.659 -6.330 -0.264) 7.316 12.937 ( 0.517 4.540 18.442) 18.999 14.677 ( -1.758 30.838 -16.490) 35.015 15.389 ( 1.443 12.859 4.926) 13.845 18.823 ( 7.380 6.298 1.981) 9.903 19.018 ( -16.809 7.251 -1.700) 18.385 19.802 ( 9.970 0.475 -11.278) 15.061 20.016 ( 1.338 5.937 -2.942) 6.760 20.450 ( -1.016 -9.564 -7.418) 12.146 21.857 ( 0.040 -4.108 -2.676) 4.903 22.198 ( -0.256 -2.119 7.430) 7.730 22.366 ( -0.661 -15.336 19.706) 24.979 ======================= Grid point 132 (85/131) ======================= q-point: ( 0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.403 25.358 -0.000) 25.361 1.750 ( 20.694 24.175 -0.000) 31.823 3.004 ( -13.915 28.515 -0.000) 31.729 3.309 ( 0.147 -2.164 0.000) 2.169 3.614 ( 3.297 2.050 0.000) 3.882 3.689 ( 0.371 10.729 -0.000) 10.735 4.883 ( -1.320 3.071 -0.000) 3.343 4.983 ( 2.419 7.911 -0.000) 8.272 5.357 ( -0.843 -2.227 0.000) 2.381 5.760 ( 2.364 7.165 -0.000) 7.544 5.915 ( -5.238 6.018 -0.000) 7.979 6.020 ( 5.859 -5.308 0.000) 7.906 6.722 ( 0.892 -11.956 0.000) 11.989 7.380 ( 9.024 -20.181 0.000) 22.106 7.474 ( 1.642 0.835 0.000) 1.842 7.936 ( -13.667 -11.229 -0.000) 17.688 8.008 ( -6.183 3.193 -0.000) 6.958 9.226 ( 5.267 -4.337 0.000) 6.823 9.432 ( -2.614 -5.863 0.000) 6.420 9.586 ( -3.259 13.754 -0.000) 14.135 10.444 ( -17.662 11.233 -0.000) 20.932 10.831 ( 28.490 7.411 0.000) 29.438 11.644 ( 3.482 -13.554 0.000) 13.995 12.345 ( -5.176 6.627 -0.000) 8.409 12.807 ( 1.095 -10.272 0.000) 10.330 12.852 ( 1.703 -2.919 0.000) 3.379 13.489 ( -5.736 3.611 -0.000) 6.778 15.272 ( 1.694 -15.935 0.000) 16.025 18.782 ( 10.754 -6.195 0.000) 12.411 18.891 ( -4.578 0.087 -0.000) 4.579 19.628 ( -9.473 7.208 -0.000) 11.903 19.823 ( -0.737 -5.867 0.000) 5.914 20.447 ( 5.143 7.085 -0.000) 8.754 21.897 ( 0.536 4.758 -0.000) 4.788 22.235 ( -0.716 -3.942 0.000) 4.007 23.153 ( -2.096 -4.473 0.000) 4.940 ======================= Grid point 133 (86/131) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 6.614 18.608 -0.000) 19.749 2.382 ( 1.764 15.919 -0.000) 16.017 3.127 ( 2.682 -0.133 0.000) 2.686 3.233 ( -3.348 0.632 -0.000) 3.407 3.571 ( -5.095 -7.019 0.000) 8.674 4.053 ( -2.841 22.993 -0.000) 23.168 4.872 ( -1.264 -1.493 0.000) 1.956 5.016 ( -1.023 -9.104 0.000) 9.162 5.473 ( 8.646 6.519 0.000) 10.829 5.813 ( -2.525 -4.223 0.000) 4.921 6.016 ( 6.341 8.174 -0.000) 10.345 6.031 ( -7.311 7.813 -0.000) 10.700 6.773 ( 16.309 -11.230 0.000) 19.802 7.077 ( 2.445 -24.427 0.000) 24.549 7.416 ( -15.262 -6.443 -0.000) 16.567 7.578 ( 7.469 8.004 -0.000) 10.948 8.025 ( -2.821 8.401 -0.000) 8.862 9.210 ( 4.880 -7.527 0.000) 8.971 9.289 ( 1.331 -4.263 0.000) 4.466 9.790 ( -5.987 14.159 -0.000) 15.372 10.398 ( -16.467 14.620 -0.000) 22.021 11.393 ( 1.162 -17.503 0.000) 17.541 11.425 ( 18.432 7.569 0.000) 19.925 12.347 ( -4.547 3.700 -0.000) 5.862 12.688 ( 8.904 -11.656 0.000) 14.668 12.847 ( 2.779 -2.660 0.000) 3.847 13.394 ( -11.629 5.074 -0.000) 12.688 14.915 ( -12.363 -9.242 -0.000) 15.436 18.807 ( -0.364 -3.761 0.000) 3.778 18.911 ( 13.495 -5.967 0.000) 14.755 19.562 ( -11.583 7.881 -0.000) 14.010 19.732 ( -0.984 -0.201 -0.000) 1.004 20.732 ( 7.499 8.857 -0.000) 11.605 22.000 ( 1.054 4.001 -0.000) 4.138 22.128 ( -2.122 -3.992 0.000) 4.521 22.910 ( -9.373 -9.368 -0.000) 13.252 ======================= Grid point 134 (87/131) ======================= q-point: (-0.35 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 6.674 -7.357 -23.770) 25.762 1.521 ( 13.184 -9.363 -20.399) 26.030 2.745 ( 11.923 -12.620 -32.175) 36.561 3.149 ( 2.103 -1.283 3.817) 4.543 3.248 ( 4.114 -5.654 8.705) 11.166 3.851 ( -0.524 -0.811 -8.549) 8.603 4.483 ( 4.596 -5.450 4.423) 8.389 4.561 ( 7.282 -5.528 5.806) 10.830 5.146 ( -1.694 3.094 8.930) 9.602 5.459 ( -2.249 -1.488 1.834) 3.261 5.629 ( 9.230 -5.457 6.080) 12.327 5.933 ( -1.273 -0.254 15.567) 15.621 6.930 ( -0.240 4.443 6.478) 7.859 7.077 ( 0.264 -2.552 9.242) 9.591 7.681 ( 6.453 -7.990 1.536) 10.385 8.245 ( -9.781 10.483 8.763) 16.803 8.967 ( -2.340 1.419 3.741) 4.635 9.054 ( 2.084 -0.017 3.976) 4.490 9.315 ( -18.661 17.408 -20.344) 32.637 10.152 ( -1.811 1.652 -26.733) 26.845 10.201 ( -16.397 0.892 -2.226) 16.571 10.937 ( 19.383 3.563 -5.085) 20.353 11.489 ( 17.048 -24.847 7.049) 30.946 12.017 ( -1.015 4.547 -1.814) 5.000 12.157 ( 1.844 -5.508 -0.679) 5.848 12.985 ( -2.145 1.852 19.766) 19.968 15.066 ( -22.449 24.548 -14.278) 36.200 15.487 ( -10.596 8.619 7.862) 15.760 18.864 ( -11.789 6.632 -0.212) 13.528 19.173 ( 7.035 9.978 0.300) 12.212 19.806 ( -7.146 -6.491 -15.686) 18.419 20.089 ( -4.828 3.424 -3.103) 6.683 20.338 ( 8.702 -6.441 -6.535) 12.646 21.787 ( 2.101 -2.118 -1.147) 3.196 22.058 ( 16.408 -15.336 20.582) 30.464 22.270 ( 0.157 -0.191 5.879) 5.884 ======================= Grid point 136 (88/131) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -10.950 7.200 -0.000) 13.105 2.510 ( 2.434 3.529 -0.000) 4.287 3.093 ( 2.728 -12.257 0.000) 12.557 3.202 ( -11.612 -6.211 -0.000) 13.169 3.328 ( 0.846 7.908 -0.000) 7.953 4.273 ( -12.516 14.420 -0.000) 19.094 4.772 ( -0.700 -8.621 0.000) 8.649 4.814 ( 0.695 -2.908 0.000) 2.989 5.573 ( -0.632 -12.550 0.000) 12.566 5.774 ( 10.027 1.863 0.000) 10.199 6.256 ( 3.345 10.932 -0.000) 11.432 6.286 ( 6.337 6.622 -0.000) 9.166 6.630 ( -4.543 -13.546 0.000) 14.287 6.667 ( 6.257 -16.262 0.000) 17.424 7.178 ( -0.870 -4.460 0.000) 4.544 7.905 ( 4.381 6.984 -0.000) 8.244 8.302 ( 4.721 15.266 -0.000) 15.980 9.119 ( 2.169 -8.863 0.000) 9.125 9.438 ( 11.689 7.015 0.000) 13.633 9.845 ( -12.357 9.306 -0.000) 15.469 10.299 ( -17.791 10.740 -0.000) 20.781 11.008 ( -3.268 -19.167 0.000) 19.444 11.887 ( 14.617 7.979 0.000) 16.653 12.332 ( -1.765 1.304 -0.000) 2.194 12.695 ( 13.313 -10.766 0.000) 17.121 12.811 ( 1.098 -6.152 0.000) 6.250 13.275 ( -14.098 9.555 -0.000) 17.031 14.497 ( -20.040 0.458 -0.000) 20.045 18.717 ( 1.309 -6.647 0.000) 6.775 19.057 ( 11.153 -3.696 0.000) 11.749 19.502 ( -9.155 6.999 -0.000) 11.524 19.793 ( 1.176 5.386 -0.000) 5.513 21.087 ( 8.755 12.051 -0.000) 14.895 22.007 ( -2.631 -3.693 0.000) 4.534 22.088 ( 0.373 3.531 -0.000) 3.550 22.426 ( -14.893 -15.347 0.000) 21.385 ======================= Grid point 137 (89/131) ======================= q-point: (-0.85 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -10.432 -1.312 -0.000) 10.514 2.474 ( -3.692 -2.962 -0.000) 4.733 2.838 ( -2.808 -7.002 0.000) 7.544 2.899 ( -6.329 -1.186 -0.000) 6.439 3.608 ( 3.218 12.339 -0.000) 12.751 4.216 ( -16.579 6.746 -0.000) 17.899 4.669 ( 3.772 -3.010 0.000) 4.826 4.808 ( 2.807 -1.265 0.000) 3.079 5.306 ( 1.805 -16.492 0.000) 16.591 5.916 ( 5.577 -1.788 0.000) 5.856 6.391 ( 6.953 -13.491 0.000) 15.178 6.402 ( 5.825 -8.022 0.000) 9.914 6.536 ( 0.420 10.335 -0.000) 10.344 6.582 ( 4.991 -0.973 0.000) 5.085 7.142 ( 3.662 -3.372 0.000) 4.977 8.105 ( -1.261 10.782 -0.000) 10.856 8.588 ( 4.193 5.534 -0.000) 6.943 8.968 ( -0.770 -6.829 0.000) 6.872 9.659 ( -5.551 0.384 -0.000) 5.565 9.683 ( -13.370 0.115 -0.000) 13.371 10.432 ( 4.949 21.854 -0.000) 22.407 10.580 ( -7.941 -11.531 0.000) 14.001 12.295 ( -2.488 -3.393 0.000) 4.207 12.316 ( 15.768 4.066 0.000) 16.284 12.646 ( -1.557 -8.338 0.000) 8.482 12.732 ( 11.616 -10.644 0.000) 15.755 13.276 ( -13.596 19.942 -0.000) 24.136 14.190 ( -18.510 6.511 -0.000) 19.622 18.607 ( 1.199 -6.796 0.000) 6.901 19.204 ( 6.481 1.286 0.000) 6.607 19.490 ( -3.536 4.585 -0.000) 5.790 19.932 ( 0.040 6.389 -0.000) 6.389 21.556 ( 11.097 16.105 -0.000) 19.558 21.676 ( -16.709 -18.841 0.000) 25.183 21.985 ( -1.787 -3.834 0.000) 4.230 22.150 ( -0.673 3.106 -0.000) 3.179 ======================= Grid point 142 (90/131) ======================= q-point: ( 0.15 0.85 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 0.730 0.769 -0.000) 1.060 2.309 ( -8.862 -1.632 -0.000) 9.011 2.823 ( 2.266 5.012 -0.000) 5.500 2.980 ( 7.671 6.406 0.000) 9.994 3.886 ( -20.588 -0.667 -0.000) 20.598 3.923 ( 4.567 13.246 -0.000) 14.011 4.781 ( 3.662 2.626 0.000) 4.506 4.859 ( 2.070 1.806 0.000) 2.747 5.098 ( 11.585 -13.632 0.000) 17.889 5.885 ( -5.156 -3.185 -0.000) 6.060 6.304 ( 6.038 -11.660 0.000) 13.131 6.317 ( 11.137 -11.168 0.000) 15.772 6.629 ( -3.110 0.439 -0.000) 3.140 6.685 ( -3.420 3.899 -0.000) 5.186 7.190 ( 9.249 -2.799 0.000) 9.664 8.227 ( -5.467 7.350 -0.000) 9.160 8.720 ( 3.206 1.333 0.000) 3.472 8.900 ( 3.546 -1.189 0.000) 3.740 9.315 ( -12.572 -12.132 -0.000) 17.471 9.547 ( -1.037 1.697 -0.000) 1.989 10.327 ( -11.146 5.098 -0.000) 12.257 10.988 ( 6.193 17.325 -0.000) 18.399 12.014 ( -11.761 -9.965 -0.000) 15.415 12.498 ( 5.265 -5.242 0.000) 7.430 12.520 ( 3.196 -6.653 0.000) 7.381 12.817 ( 13.658 -7.902 0.000) 15.779 13.580 ( -5.789 31.298 -0.000) 31.829 14.006 ( -13.664 5.993 -0.000) 14.920 18.514 ( 1.729 -5.357 0.000) 5.629 19.356 ( 3.138 4.198 -0.000) 5.242 19.528 ( -0.834 2.668 -0.000) 2.795 20.017 ( -2.808 4.966 -0.000) 5.705 20.961 ( -13.303 -20.209 0.000) 24.194 21.952 ( 0.281 -0.041 0.000) 0.284 22.098 ( 7.889 14.908 -0.000) 16.867 22.195 ( 2.891 3.757 -0.000) 4.741 ======================= Grid point 145 (91/131) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -15.140 2.364 -0.000) 15.323 2.291 ( 1.756 1.585 0.000) 2.365 3.049 ( 7.321 5.910 0.000) 9.409 3.264 ( 10.901 0.187 0.000) 10.902 3.500 ( -17.094 2.673 -0.000) 17.302 4.239 ( -2.679 11.774 -0.000) 12.075 4.837 ( 2.503 -0.257 0.000) 2.516 5.025 ( 7.280 7.065 0.000) 10.145 5.269 ( 16.126 -2.761 0.000) 16.360 5.649 ( -10.623 -1.308 -0.000) 10.703 6.213 ( 1.848 -7.087 0.000) 7.324 6.380 ( 10.809 -5.352 0.000) 12.061 6.490 ( -5.076 -0.796 -0.000) 5.138 6.509 ( -6.441 -9.171 0.000) 11.207 7.374 ( 8.579 0.730 0.000) 8.610 8.173 ( -3.545 -2.621 -0.000) 4.409 8.761 ( -14.592 -15.034 0.000) 20.951 8.831 ( 4.902 3.268 0.000) 5.891 9.072 ( 10.440 2.626 0.000) 10.765 9.702 ( 4.624 6.840 -0.000) 8.256 10.307 ( -12.613 15.659 -0.000) 20.107 11.258 ( 1.863 3.599 -0.000) 4.052 11.534 ( -14.746 -11.697 -0.000) 18.822 12.494 ( 7.704 -6.212 0.000) 9.897 12.526 ( 4.188 0.447 0.000) 4.212 12.821 ( 3.039 -7.990 0.000) 8.548 13.862 ( -10.175 2.304 -0.000) 10.433 14.186 ( 5.551 28.148 -0.000) 28.690 18.479 ( 3.037 -2.538 0.000) 3.958 19.380 ( -0.303 -9.545 0.000) 9.550 19.568 ( -2.233 7.626 -0.000) 7.947 20.008 ( -5.218 1.929 -0.000) 5.563 20.514 ( -3.383 -7.268 0.000) 8.017 21.966 ( -0.371 1.016 -0.000) 1.081 22.169 ( -0.637 0.744 -0.000) 0.979 22.645 ( 11.069 12.381 -0.000) 16.607 ======================= Grid point 146 (92/131) ======================= q-point: ( 0.65 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 2.349 -3.679 -3.582) 5.647 2.508 ( 0.649 2.370 -7.909) 8.282 2.673 ( -1.508 -5.836 2.071) 6.374 2.984 ( 2.146 -15.206 4.065) 15.886 3.751 ( -2.959 0.283 1.759) 3.454 3.883 ( 0.230 -12.433 -2.052) 12.604 4.836 ( 2.229 0.898 1.192) 2.682 4.920 ( -2.811 -2.001 2.374) 4.188 5.562 ( -3.926 7.378 -5.883) 10.221 5.676 ( 4.887 4.186 -2.422) 6.875 6.350 ( -2.267 11.580 0.905) 11.834 6.453 ( -3.735 3.930 1.207) 5.554 6.588 ( 3.571 4.990 1.323) 6.277 6.770 ( 6.017 0.121 -4.219) 7.350 7.332 ( -3.077 1.544 3.438) 4.865 7.847 ( 1.173 -10.542 2.252) 10.844 8.710 ( -1.146 8.759 5.607) 10.463 9.079 ( -1.311 0.344 -1.273) 1.859 9.343 ( -2.140 -2.535 -7.439) 8.145 9.515 ( 0.663 -2.688 -2.222) 3.550 10.078 ( -5.438 -2.011 0.822) 5.856 11.008 ( 9.689 -7.361 3.519) 12.666 11.929 ( -1.208 8.283 -5.827) 10.199 12.458 ( -2.139 6.788 3.284) 7.838 12.726 ( 1.387 0.781 -3.242) 3.612 12.968 ( 0.469 6.864 -0.132) 6.881 13.320 ( -0.134 -15.975 10.433) 19.080 13.959 ( -0.573 -17.072 -5.136) 17.837 18.640 ( 0.398 5.186 -3.111) 6.060 19.333 ( 0.398 -11.296 3.581) 11.857 19.495 ( 2.679 8.385 2.138) 9.058 19.784 ( -3.379 0.196 1.248) 3.607 21.055 ( -0.697 10.109 -8.298) 13.097 21.954 ( 0.387 -0.043 -0.396) 0.555 22.120 ( -0.899 -2.741 2.633) 3.906 22.218 ( 0.991 -15.450 2.804) 15.734 ======================= Grid point 148 (93/131) ======================= q-point: ( 0.65 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -4.194 2.825 3.842) 6.351 2.503 ( 0.709 -2.364 5.615) 6.134 2.619 ( 5.053 -2.705 -9.560) 11.146 2.800 ( 7.989 -9.410 -2.160) 12.532 3.720 ( 3.344 -1.817 1.753) 4.189 3.802 ( 4.540 -4.515 3.819) 7.455 4.829 ( -2.308 1.111 -1.119) 2.795 4.923 ( 0.969 0.394 -1.266) 1.642 5.597 ( -6.517 7.507 -7.349) 12.362 5.768 ( -0.873 -0.473 2.896) 3.061 6.466 ( -4.115 4.964 2.949) 7.090 6.497 ( -7.795 11.892 1.906) 14.346 6.610 ( -0.801 -2.627 -0.788) 2.857 6.810 ( -0.995 -3.024 -4.402) 5.433 7.342 ( -0.658 3.254 -5.490) 6.416 7.737 ( 8.041 -9.326 6.983) 14.156 8.840 ( -4.179 4.485 -2.490) 6.617 9.073 ( -0.644 1.061 -3.867) 4.061 9.245 ( 2.992 0.710 5.857) 6.615 9.476 ( 7.269 -10.070 0.807) 12.446 10.133 ( -5.586 11.327 6.727) 14.309 10.894 ( 2.950 -10.345 -7.073) 12.874 12.066 ( -5.028 5.402 4.840) 8.826 12.557 ( -0.140 5.841 2.242) 6.258 12.673 ( -5.030 -0.041 -3.289) 6.010 12.984 ( 6.511 -8.027 2.205) 10.568 13.211 ( 1.405 0.066 -7.602) 7.732 13.783 ( 10.702 -10.424 3.324) 15.305 18.716 ( -4.228 3.878 -3.054) 6.499 19.187 ( 6.442 -6.274 2.272) 9.275 19.590 ( -4.756 2.123 -2.269) 5.681 19.788 ( 2.470 0.237 3.429) 4.232 21.189 ( -8.087 8.725 6.121) 13.379 21.937 ( -0.172 -0.382 -3.050) 3.079 22.024 ( 9.249 -8.659 -3.178) 13.062 22.106 ( 2.752 -3.245 -0.565) 4.293 ======================= Grid point 149 (94/131) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -20.742 12.045 -0.000) 23.985 2.132 ( -15.762 -3.984 -0.000) 16.258 3.215 ( 1.602 3.697 -0.000) 4.029 3.363 ( 5.404 -6.747 0.000) 8.644 3.492 ( 1.772 7.900 -0.000) 8.097 4.121 ( -21.974 0.485 -0.000) 21.980 4.897 ( 2.208 0.672 0.000) 2.308 5.115 ( -2.604 -5.049 0.000) 5.681 5.391 ( 2.896 -4.745 0.000) 5.559 5.723 ( -0.140 18.110 -0.000) 18.111 5.966 ( -11.250 -4.139 -0.000) 11.987 6.181 ( -4.881 -9.510 0.000) 10.689 6.528 ( 13.838 -5.888 0.000) 15.038 6.747 ( 20.258 9.283 0.000) 22.284 7.467 ( 1.214 -0.868 0.000) 1.493 8.041 ( 2.664 -9.345 0.000) 9.717 8.261 ( -9.804 -9.206 -0.000) 13.449 9.024 ( 6.073 4.668 0.000) 7.659 9.318 ( 10.281 -0.553 0.000) 10.296 9.816 ( -6.246 2.982 -0.000) 6.922 10.459 ( -11.425 25.321 -0.000) 27.780 11.003 ( -13.769 -14.340 0.000) 19.880 11.360 ( 9.446 -0.029 0.000) 9.446 12.565 ( -4.053 -3.259 -0.000) 5.201 12.600 ( 11.779 -2.730 0.000) 12.091 12.746 ( 3.971 -0.503 0.000) 4.002 13.686 ( -7.836 -2.301 -0.000) 8.167 14.809 ( 12.069 17.009 -0.000) 20.856 18.551 ( 4.612 2.689 0.000) 5.339 19.092 ( -2.924 -12.138 0.000) 12.485 19.700 ( 2.882 4.218 -0.000) 5.108 19.883 ( -6.633 -3.069 -0.000) 7.309 20.454 ( -2.773 3.303 -0.000) 4.312 21.958 ( -2.522 0.768 -0.000) 2.637 22.184 ( 1.972 -0.255 0.000) 1.989 23.007 ( 7.744 5.421 0.000) 9.453 ======================= Grid point 157 (95/131) ======================= q-point: (-0.58 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 3.072 -4.725 -8.900) 10.535 2.540 ( 3.838 -6.613 -1.507) 7.793 2.894 ( -0.960 -0.198 -2.553) 2.735 3.286 ( -1.276 -7.881 6.212) 10.116 3.617 ( -0.877 9.115 1.913) 9.355 4.541 ( 5.300 -6.935 -0.004) 8.728 4.773 ( -3.855 -9.526 3.892) 10.989 4.893 ( -6.833 -1.976 5.621) 9.065 5.172 ( 10.547 -11.763 -6.900) 17.240 5.668 ( -3.874 -2.873 1.075) 4.941 5.896 ( 2.635 -11.765 -4.133) 12.745 6.003 ( 2.350 -8.337 -0.619) 8.684 6.485 ( -5.481 8.451 3.861) 10.787 6.785 ( 0.858 6.376 9.879) 11.790 7.491 ( -5.274 6.133 -5.344) 9.694 7.856 ( 2.515 -0.490 9.229) 9.578 8.607 ( -1.410 14.342 -7.913) 16.441 8.973 ( 0.426 -3.215 5.651) 6.516 9.111 ( 7.137 3.904 -1.472) 8.268 9.858 ( 6.027 -2.016 -4.768) 7.945 10.796 ( 4.603 -3.000 -14.971) 15.947 11.186 ( -19.291 3.504 -2.141) 19.723 11.540 ( 6.454 9.097 6.210) 12.766 12.250 ( -0.443 -3.378 3.193) 4.669 12.478 ( -0.821 -5.828 2.006) 6.218 12.574 ( 3.333 -6.082 4.542) 8.291 13.996 ( -6.256 14.381 -0.859) 15.706 14.928 ( 3.896 7.321 -2.083) 8.551 18.613 ( 7.638 0.685 2.950) 8.216 18.871 ( -12.989 1.843 -1.475) 13.202 19.769 ( 3.488 3.344 -0.623) 4.873 19.966 ( -3.206 4.061 -4.011) 6.546 20.763 ( 8.484 1.152 -0.777) 8.597 22.020 ( -0.093 -1.394 -1.789) 2.270 22.109 ( -0.545 0.368 1.749) 1.869 22.604 ( -3.403 -13.053 4.668) 14.275 ======================= Grid point 160 (96/131) ======================= q-point: (-0.58 -0.18 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 5.048 -9.113 -13.403) 16.975 2.354 ( -0.885 -12.074 -9.823) 15.591 2.836 ( -3.314 0.056 1.502) 3.639 3.115 ( -2.535 -5.287 8.119) 10.015 3.774 ( -0.153 4.677 -0.012) 4.680 4.357 ( 0.410 -13.510 -9.641) 16.603 4.630 ( 2.665 -4.175 5.520) 7.417 4.730 ( -3.115 -3.701 7.718) 9.109 5.067 ( 5.486 -13.107 -5.842) 15.363 5.553 ( -1.327 -3.567 3.489) 5.163 5.763 ( 6.052 -10.005 2.724) 12.006 5.918 ( 7.528 -10.147 0.979) 12.672 6.555 ( -0.323 5.847 6.113) 8.466 6.906 ( 1.133 4.021 8.429) 9.407 7.436 ( -13.534 10.800 1.638) 17.392 8.026 ( 8.689 1.081 2.237) 9.037 8.771 ( -2.977 6.294 -1.265) 7.077 8.958 ( 1.183 0.072 1.618) 2.005 9.411 ( 4.198 1.815 -13.927) 14.658 9.955 ( 3.060 6.707 6.387) 9.755 10.716 ( -12.017 -0.918 -19.537) 22.955 10.897 ( -4.362 2.885 -4.120) 6.658 11.822 ( 8.051 4.777 2.494) 9.688 12.117 ( 0.269 -9.179 -0.241) 9.186 12.447 ( 4.922 -6.562 1.723) 8.382 12.514 ( 2.050 -3.648 14.847) 15.425 14.204 ( -10.139 23.842 -2.171) 25.999 15.025 ( -12.576 10.512 -1.855) 16.496 18.676 ( -9.042 2.528 -0.537) 9.404 18.845 ( 10.191 3.051 2.893) 11.025 19.902 ( -4.695 5.087 -3.185) 7.620 19.980 ( 0.055 5.457 -0.639) 5.494 20.974 ( 12.245 -2.169 -14.015) 18.736 21.938 ( -3.548 -3.357 -0.721) 4.937 22.134 ( 1.112 -3.744 5.041) 6.377 22.204 ( -5.010 -10.425 12.166) 16.787 ======================= Grid point 161 (97/131) ======================= q-point: (-0.58 -0.18 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 1.911 -6.764 -13.735) 15.429 2.232 ( 7.711 -6.087 -9.891) 13.940 2.800 ( -1.717 2.020 3.906) 4.720 3.057 ( 1.355 1.154 11.081) 11.223 3.825 ( 3.886 1.780 -9.541) 10.455 4.091 ( -0.481 -13.189 -5.376) 14.251 4.674 ( 3.930 -3.299 0.502) 5.155 4.692 ( 6.222 -0.461 -0.235) 6.243 4.937 ( 0.500 -4.619 7.014) 8.414 5.548 ( 8.411 -2.943 -2.892) 9.368 5.704 ( 5.369 -9.334 11.369) 15.659 5.857 ( 7.593 -10.271 3.906) 13.357 6.710 ( 3.012 5.508 6.058) 8.723 6.970 ( 2.547 -2.810 6.384) 7.425 7.397 ( -14.672 14.459 3.630) 20.917 8.145 ( 5.108 -4.369 -1.920) 6.991 8.811 ( -2.348 4.216 0.480) 4.849 8.960 ( -1.499 -0.253 4.701) 4.941 9.302 ( -8.055 -2.668 -13.001) 15.525 9.896 ( -13.629 -0.346 2.525) 13.865 10.611 ( -5.854 6.763 -25.011) 26.563 11.174 ( 10.246 13.194 0.891) 16.729 11.943 ( 2.764 -11.764 -1.280) 12.152 12.057 ( 12.054 -0.358 1.505) 12.153 12.314 ( -0.617 -8.086 0.719) 8.142 12.515 ( 2.040 -3.255 17.882) 18.289 14.493 ( -13.649 26.140 -6.891) 30.283 14.870 ( -20.037 9.240 2.650) 22.224 18.575 ( -5.800 2.192 2.053) 6.531 19.146 ( 8.914 6.465 1.169) 11.074 19.821 ( -8.546 2.459 -1.201) 8.973 20.080 ( -2.056 2.822 -6.011) 6.951 20.928 ( -1.781 -14.953 -14.906) 21.189 21.834 ( 4.691 0.040 4.154) 6.266 22.064 ( 6.654 -0.800 13.623) 15.182 22.186 ( 1.254 -1.236 1.517) 2.324 ======================= Grid point 164 (98/131) ======================= q-point: (-0.58 -0.18 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 7.567 -1.202 -8.730) 11.616 2.338 ( 7.952 0.644 -6.338) 10.189 2.857 ( 0.705 3.275 2.137) 3.974 3.154 ( 5.705 0.617 12.068) 13.363 3.838 ( -6.462 -4.853 -5.192) 9.605 4.135 ( 15.456 7.785 -9.663) 19.821 4.693 ( 7.336 -5.648 0.154) 9.259 4.820 ( 7.902 2.703 0.146) 8.352 4.951 ( 0.903 0.553 5.268) 5.373 5.631 ( 7.387 -6.560 11.988) 15.534 5.711 ( 9.086 -1.391 -5.030) 10.478 5.858 ( 8.344 -5.192 3.421) 10.406 6.775 ( -3.455 -5.705 4.472) 8.030 6.852 ( -2.958 -1.172 8.215) 8.810 7.495 ( -8.140 16.479 1.967) 18.485 8.009 ( -1.376 -12.333 -1.527) 12.503 8.818 ( -6.632 1.631 -4.240) 8.039 8.914 ( 0.998 -0.928 5.471) 5.638 9.130 ( -8.795 4.348 -7.530) 12.368 9.742 ( -4.619 4.807 2.656) 7.176 10.667 ( -2.912 8.052 -22.955) 24.500 11.434 ( 4.214 -4.947 -0.455) 6.514 11.738 ( -7.705 -5.747 2.457) 9.921 12.196 ( 6.319 -2.897 0.796) 6.997 12.321 ( 11.352 -1.490 -0.264) 11.452 12.473 ( 0.877 -1.566 15.298) 15.403 14.393 ( -20.822 2.093 -6.261) 21.844 14.881 ( -11.467 18.896 1.742) 22.172 18.541 ( -3.517 4.027 3.237) 6.250 19.221 ( -2.617 -10.823 -0.049) 11.135 19.742 ( -3.243 4.360 -1.475) 5.630 20.031 ( -4.150 1.872 -10.563) 11.503 20.692 ( -0.484 -2.360 0.229) 2.420 21.956 ( 2.896 2.105 -2.311) 4.261 22.152 ( -0.194 -2.597 1.658) 3.087 22.328 ( 15.274 1.906 9.756) 18.224 ======================= Grid point 177 (99/131) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 1.335 19.160 -0.000) 19.207 2.165 ( 17.194 18.255 -0.000) 25.077 3.207 ( -8.313 -1.849 -0.000) 8.516 3.260 ( 0.640 -2.450 0.000) 2.532 3.598 ( 2.407 -3.439 0.000) 4.198 4.094 ( -2.051 24.397 -0.000) 24.483 4.896 ( -0.874 -1.859 0.000) 2.054 5.048 ( -2.374 -1.321 -0.000) 2.716 5.362 ( 2.213 1.988 0.000) 2.975 5.911 ( -4.680 -2.795 -0.000) 5.451 5.937 ( 1.351 10.791 -0.000) 10.875 6.100 ( 3.176 8.142 -0.000) 8.739 6.489 ( 6.323 -11.727 0.000) 13.322 6.937 ( 9.542 -22.948 0.000) 24.853 7.486 ( 2.718 1.631 0.000) 3.170 7.768 ( -17.708 -7.134 -0.000) 19.091 8.112 ( -6.080 8.163 -0.000) 10.178 9.116 ( 4.772 -6.474 0.000) 8.042 9.295 ( -1.344 -7.674 0.000) 7.791 9.848 ( -0.174 11.931 -0.000) 11.932 10.709 ( -15.286 15.109 -0.000) 21.492 10.981 ( 25.999 8.052 0.000) 27.217 11.367 ( 0.954 -13.815 0.000) 13.848 12.458 ( -6.388 4.613 -0.000) 7.880 12.585 ( 1.814 -11.985 0.000) 12.121 12.786 ( 3.215 -4.085 0.000) 5.199 13.587 ( -7.783 6.468 -0.000) 10.120 15.011 ( 2.925 -10.176 0.000) 10.588 18.674 ( 9.836 -4.810 0.000) 10.949 18.887 ( -7.884 -0.503 -0.000) 7.900 19.740 ( 0.416 -2.479 0.000) 2.514 19.767 ( -8.687 7.077 -0.000) 11.205 20.576 ( 8.032 6.086 0.000) 10.077 21.978 ( 1.182 3.517 -0.000) 3.711 22.165 ( -1.595 -3.244 0.000) 3.615 23.033 ( -2.752 -8.015 0.000) 8.474 ======================= Grid point 178 (100/131) ======================= q-point: (-0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.585 -7.277 -25.022) 26.065 1.416 ( -1.646 -15.377 -22.858) 27.598 2.605 ( 0.379 -16.128 -42.317) 45.287 3.162 ( -1.561 -3.430 8.266) 9.084 3.177 ( 1.740 -4.545 8.718) 9.984 3.849 ( 0.345 0.984 -9.384) 9.442 4.457 ( 2.391 -6.466 4.686) 8.335 4.469 ( -2.707 -7.879 5.554) 10.013 5.180 ( -0.538 4.964 8.990) 10.284 5.475 ( 3.738 -2.114 2.188) 4.820 5.535 ( -3.555 -6.529 6.368) 9.789 5.939 ( 0.431 1.752 16.585) 16.683 6.953 ( -1.559 6.308 5.726) 8.661 7.066 ( 0.926 -2.020 9.846) 10.094 7.595 ( 0.541 -12.757 -0.442) 12.776 8.351 ( -0.211 12.490 11.746) 17.146 8.990 ( 0.706 0.075 3.635) 3.703 9.025 ( -0.814 -2.343 5.219) 5.779 9.545 ( -0.704 32.330 -19.589) 37.808 10.151 ( 0.185 5.239 -24.326) 24.884 10.391 ( 14.994 5.380 -3.051) 16.219 10.758 ( -19.330 -6.786 -6.908) 21.620 11.263 ( 5.128 -34.314 3.231) 34.845 12.046 ( -1.736 3.441 -1.537) 4.149 12.119 ( 1.781 -3.934 -0.787) 4.390 13.005 ( 0.078 2.416 20.373) 20.516 15.314 ( -0.973 30.950 -7.255) 31.804 15.597 ( 0.965 7.843 7.251) 10.725 19.011 ( 7.856 13.358 -0.963) 15.526 19.155 ( -13.275 6.012 -0.117) 14.573 19.806 ( 6.910 -0.687 -18.790) 20.032 20.124 ( 0.254 4.693 -1.702) 4.998 20.263 ( -1.372 -8.462 -4.530) 9.696 21.784 ( 0.238 -3.011 -3.508) 4.629 21.844 ( -0.683 -27.130 20.421) 33.964 22.272 ( 0.015 0.489 5.286) 5.309 ======================= Grid point 180 (101/131) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 4.404 6.249 -0.000) 7.645 2.612 ( 0.701 7.581 -0.000) 7.613 3.031 ( 0.515 -7.703 0.000) 7.721 3.293 ( 2.335 4.832 -0.000) 5.366 3.407 ( -8.320 -7.684 -0.000) 11.325 4.450 ( -3.771 15.311 -0.000) 15.769 4.813 ( -0.524 -4.468 0.000) 4.499 4.816 ( -5.348 -9.844 0.000) 11.203 5.571 ( 10.518 2.479 0.000) 10.806 5.648 ( -7.299 -9.995 0.000) 12.376 6.169 ( 4.814 4.662 0.000) 6.701 6.232 ( -0.373 8.702 -0.000) 8.710 6.497 ( 11.044 -15.829 0.000) 19.301 6.672 ( 1.717 -14.302 0.000) 14.404 7.316 ( -13.685 -3.352 -0.000) 14.089 7.754 ( 9.918 8.435 0.000) 13.020 8.281 ( -1.621 17.966 -0.000) 18.039 9.064 ( 3.353 -6.878 0.000) 7.652 9.248 ( 7.168 0.702 0.000) 7.202 10.008 ( -3.769 6.200 -0.000) 7.256 10.660 ( -18.523 11.658 -0.000) 21.886 11.073 ( -3.927 -13.092 0.000) 13.668 11.557 ( 19.549 5.912 0.000) 20.423 12.397 ( -4.745 0.959 -0.000) 4.841 12.469 ( 9.031 -10.316 0.000) 13.711 12.766 ( 3.438 -5.737 0.000) 6.688 13.539 ( -12.541 10.140 -0.000) 16.127 14.819 ( -11.566 -0.507 -0.000) 11.578 18.733 ( -3.678 -3.468 -0.000) 5.055 18.814 ( 12.535 -3.720 0.000) 13.076 19.711 ( -11.051 7.277 -0.000) 13.231 19.765 ( 1.691 3.341 -0.000) 3.745 20.898 ( 10.690 8.139 0.000) 13.436 22.057 ( -2.622 -3.251 0.000) 4.177 22.068 ( 1.537 2.967 -0.000) 3.342 22.689 ( -11.236 -13.532 0.000) 17.589 ======================= Grid point 181 (102/131) ======================= q-point: (-0.80 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 1.332 -3.864 0.000) 4.087 2.538 ( -10.697 -2.404 -0.000) 10.964 2.868 ( -0.354 -8.599 0.000) 8.606 3.056 ( -8.735 -7.041 -0.000) 11.220 3.551 ( 2.673 12.435 -0.000) 12.719 4.477 ( -10.028 5.567 -0.000) 11.470 4.636 ( 0.056 -5.799 0.000) 5.800 4.748 ( 3.039 -3.592 0.000) 4.705 5.321 ( -3.666 -13.071 0.000) 13.575 5.752 ( 9.671 -3.451 0.000) 10.269 6.212 ( 10.408 -15.067 0.000) 18.313 6.300 ( 4.886 -10.484 0.000) 11.567 6.456 ( 6.883 0.430 0.000) 6.896 6.601 ( -4.692 11.127 -0.000) 12.076 7.134 ( -3.552 -0.785 -0.000) 3.637 8.049 ( 6.092 7.541 -0.000) 9.694 8.571 ( -1.746 11.159 -0.000) 11.295 8.980 ( -0.056 -5.053 0.000) 5.054 9.619 ( 9.761 10.393 -0.000) 14.258 9.894 ( -7.581 -6.394 -0.000) 9.917 10.509 ( -12.531 11.681 -0.000) 17.131 10.752 ( -10.080 -4.278 -0.000) 10.950 11.993 ( 17.076 2.979 0.000) 17.334 12.327 ( -1.427 -2.381 0.000) 2.776 12.503 ( 11.648 -8.814 0.000) 14.607 12.664 ( 0.293 -8.580 0.000) 8.585 13.548 ( -13.957 18.759 -0.000) 23.382 14.569 ( -19.351 6.278 -0.000) 20.344 18.607 ( -1.487 -4.499 0.000) 4.739 19.008 ( 11.988 -0.994 0.000) 12.029 19.637 ( -9.990 6.618 -0.000) 11.983 19.910 ( 2.080 6.468 -0.000) 6.794 21.321 ( 13.206 11.740 0.000) 17.670 21.929 ( -6.206 -6.042 -0.000) 8.661 22.106 ( -12.968 -15.938 0.000) 20.547 22.148 ( 0.967 2.541 -0.000) 2.719 ======================= Grid point 186 (103/131) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -6.614 -4.247 -0.000) 7.860 2.417 ( -2.236 -2.280 0.000) 3.194 2.798 ( 0.604 1.825 -0.000) 1.923 2.898 ( 0.680 0.521 0.000) 0.856 3.834 ( 4.138 10.913 -0.000) 11.671 4.233 ( -13.764 -5.084 -0.000) 14.673 4.683 ( 5.561 3.937 0.000) 6.814 4.798 ( 4.446 0.520 0.000) 4.476 4.994 ( -1.038 -13.919 0.000) 13.957 5.868 ( 7.399 -3.220 0.000) 8.069 6.092 ( 11.304 -16.710 0.000) 20.175 6.176 ( 6.781 -12.533 0.000) 14.250 6.624 ( 3.372 3.345 0.000) 4.749 6.786 ( -6.521 15.050 -0.000) 16.402 7.062 ( 2.781 -5.155 0.000) 5.857 8.267 ( 1.815 4.627 -0.000) 4.970 8.689 ( -0.271 4.719 -0.000) 4.727 8.885 ( -1.341 -1.993 0.000) 2.402 9.521 ( -8.631 -14.135 0.000) 16.562 9.640 ( -7.911 -1.445 -0.000) 8.042 10.558 ( -12.804 7.651 -0.000) 14.916 10.866 ( 6.202 21.575 -0.000) 22.449 12.184 ( -5.034 -8.147 0.000) 9.576 12.322 ( 13.525 -2.466 0.000) 13.748 12.488 ( 0.085 -7.981 0.000) 7.982 12.547 ( 12.017 -8.187 0.000) 14.541 13.762 ( -11.569 28.869 -0.000) 31.101 14.321 ( -18.689 6.410 -0.000) 19.757 18.503 ( -0.697 -3.755 0.000) 3.820 19.232 ( 9.089 2.093 0.000) 9.327 19.596 ( -6.095 5.555 -0.000) 8.247 20.050 ( -0.506 5.590 -0.000) 5.613 21.269 ( -17.709 -22.047 0.000) 28.279 21.855 ( 14.853 14.127 0.000) 20.498 21.949 ( -0.102 -0.467 0.000) 0.478 22.195 ( -0.237 1.247 -0.000) 1.269 ======================= Grid point 188 (104/131) ======================= q-point: ( 0.20 0.80 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 3.766 2.551 0.000) 4.549 2.311 ( -8.687 2.370 -0.000) 9.005 2.935 ( 4.446 5.926 -0.000) 7.408 3.055 ( 9.918 1.110 0.000) 9.980 3.841 ( -16.158 -3.976 -0.000) 16.640 4.179 ( 6.996 12.105 -0.000) 13.981 4.792 ( 1.597 -3.163 0.000) 3.544 4.925 ( 3.848 4.610 -0.000) 6.005 4.967 ( 13.544 2.217 0.000) 13.725 5.797 ( -2.660 -5.554 0.000) 6.158 6.099 ( 7.233 -8.663 0.000) 11.285 6.107 ( 14.688 -9.668 0.000) 17.585 6.638 ( -6.217 0.345 -0.000) 6.227 6.707 ( -11.868 -2.869 -0.000) 12.209 7.204 ( 8.040 5.624 0.000) 9.812 8.233 ( -2.440 -6.968 0.000) 7.382 8.772 ( 1.288 3.632 -0.000) 3.854 8.901 ( 3.704 -0.472 0.000) 3.734 9.049 ( -11.820 -11.308 -0.000) 16.358 9.612 ( 3.043 5.554 -0.000) 6.333 10.546 ( -12.050 15.403 -0.000) 19.557 11.249 ( 0.029 8.513 -0.000) 8.513 11.810 ( -12.432 -11.397 -0.000) 16.866 12.376 ( 4.173 -7.690 0.000) 8.749 12.420 ( 6.559 -1.919 0.000) 6.834 12.675 ( 11.677 -6.770 0.000) 13.497 14.092 ( -14.043 2.569 -0.000) 14.276 14.188 ( -5.178 30.035 -0.000) 30.478 18.446 ( 0.423 -1.453 0.000) 1.514 19.356 ( 2.343 -4.162 0.000) 4.776 19.616 ( -2.476 4.789 -0.000) 5.391 20.093 ( -3.420 2.482 -0.000) 4.226 20.635 ( -9.309 -11.303 0.000) 14.643 21.966 ( 0.241 1.490 -0.000) 1.509 22.186 ( -0.807 -0.696 -0.000) 1.065 22.400 ( 14.188 11.640 0.000) 18.351 ======================= Grid point 192 (105/131) ======================= q-point: ( 0.70 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.382 2.184 -0.557) 2.286 2.481 ( 1.128 -5.031 -4.799) 7.043 2.565 ( -1.321 -4.046 1.022) 4.377 2.709 ( 0.366 -11.873 2.691) 12.180 3.700 ( -0.292 -3.207 3.972) 5.113 3.749 ( -0.116 -3.198 -4.139) 5.232 4.859 ( 0.598 1.803 0.767) 2.048 4.913 ( -0.620 0.200 0.196) 0.680 5.686 ( -0.539 5.303 0.394) 5.345 5.752 ( 0.595 2.811 -3.360) 4.421 6.521 ( 0.133 3.354 0.402) 3.381 6.554 ( -1.873 7.135 1.184) 7.471 6.658 ( 0.889 3.141 0.447) 3.295 6.780 ( 1.621 0.445 -2.042) 2.645 7.371 ( -1.056 2.818 1.731) 3.471 7.635 ( 0.651 -10.485 0.516) 10.517 8.879 ( -0.080 8.780 2.200) 9.051 9.102 ( 0.601 2.479 -1.412) 2.915 9.223 ( -2.882 -7.975 -1.159) 8.558 9.374 ( 1.935 -10.280 -1.253) 10.536 10.238 ( -2.224 14.801 -0.479) 14.974 10.816 ( 2.664 -12.111 1.603) 12.504 12.125 ( -0.065 12.360 -3.550) 12.860 12.571 ( -2.167 2.956 2.690) 4.547 12.734 ( 2.620 -0.161 -1.447) 2.998 12.851 ( -0.263 -16.028 2.129) 16.171 13.243 ( -0.442 7.792 1.988) 8.053 13.669 ( -0.040 -13.160 -1.975) 13.308 18.763 ( 0.130 7.365 -1.743) 7.569 19.116 ( -0.104 -10.632 1.797) 10.784 19.629 ( 1.009 5.545 0.513) 5.660 19.771 ( -1.000 -1.716 0.646) 2.088 21.287 ( -0.231 13.559 -4.333) 14.236 21.890 ( 0.256 -16.417 3.670) 16.825 21.969 ( -0.152 1.468 -0.446) 1.542 22.074 ( 0.073 -3.309 0.078) 3.311 ======================= Grid point 194 (106/131) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -14.553 10.595 -0.000) 18.001 2.318 ( -2.999 1.498 -0.000) 3.353 3.145 ( 4.958 4.410 0.000) 6.635 3.213 ( 9.011 -4.666 0.000) 10.148 3.548 ( -7.477 1.249 -0.000) 7.581 4.397 ( -5.755 4.575 -0.000) 7.352 4.831 ( 4.266 -0.072 0.000) 4.267 5.075 ( 5.134 -2.726 0.000) 5.813 5.275 ( 8.500 2.996 0.000) 9.013 5.769 ( -2.333 11.979 -0.000) 12.204 6.121 ( 0.793 -2.417 0.000) 2.544 6.207 ( 11.525 -10.275 0.000) 15.440 6.375 ( -7.517 -4.838 -0.000) 8.940 6.507 ( -0.027 2.756 -0.000) 2.756 7.424 ( 2.452 4.738 -0.000) 5.335 7.995 ( 1.773 -14.612 0.000) 14.720 8.505 ( -14.830 -10.659 -0.000) 18.263 8.912 ( 4.969 4.377 0.000) 6.622 9.118 ( 9.369 1.948 0.000) 9.569 9.853 ( 2.542 8.240 -0.000) 8.623 10.679 ( -11.004 21.723 -0.000) 24.351 11.258 ( 0.814 -3.083 0.000) 3.189 11.297 ( -15.343 -13.071 -0.000) 20.156 12.388 ( 9.555 -3.989 0.000) 10.354 12.564 ( 4.246 2.267 0.000) 4.813 12.678 ( 3.678 -5.790 0.000) 6.859 13.857 ( -10.109 -2.946 -0.000) 10.530 14.660 ( 2.849 19.421 -0.000) 19.629 18.483 ( 2.310 3.074 -0.000) 3.845 19.138 ( -1.978 -14.331 0.000) 14.467 19.675 ( -0.117 3.624 -0.000) 3.626 20.004 ( -5.714 -2.671 -0.000) 6.307 20.507 ( -2.911 5.782 -0.000) 6.473 21.994 ( -1.212 1.814 -0.000) 2.182 22.157 ( 0.919 -1.793 0.000) 2.015 22.821 ( 11.437 5.227 0.000) 12.575 ======================= Grid point 205 (107/131) ======================= q-point: (-0.53 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 2.300 -8.650 -12.599) 15.454 2.356 ( 0.687 -11.450 -7.894) 13.924 2.885 ( -0.886 -0.742 1.571) 1.950 3.143 ( -0.962 -6.873 10.532) 12.613 3.783 ( -1.010 6.724 -3.271) 7.546 4.293 ( 6.604 -16.641 -9.004) 20.040 4.609 ( -1.850 -7.372 3.436) 8.341 4.834 ( -4.810 -6.956 2.480) 8.814 4.952 ( 4.082 -6.759 -2.024) 8.151 5.585 ( -0.191 -5.578 13.349) 14.469 5.700 ( -0.008 -8.151 -3.910) 9.041 5.813 ( 1.931 -10.558 1.545) 10.844 6.625 ( -6.611 5.950 4.894) 10.152 6.878 ( 1.672 2.254 9.246) 9.663 7.678 ( -6.997 12.196 -1.862) 14.183 7.848 ( 5.574 -1.066 4.970) 7.544 8.819 ( -1.557 7.656 -2.434) 8.183 8.925 ( 1.768 -0.761 2.321) 3.016 9.275 ( 8.803 9.878 -10.833) 17.100 9.851 ( 6.150 4.175 5.322) 9.142 10.783 ( 3.171 1.031 -24.002) 24.232 11.158 ( -18.321 -5.083 -3.797) 19.389 11.726 ( 2.225 8.603 5.512) 10.457 12.143 ( -2.582 -9.564 0.322) 9.911 12.349 ( 4.204 -6.518 1.413) 7.884 12.478 ( 1.512 -2.882 14.808) 15.162 14.357 ( -5.236 22.769 -3.094) 23.567 15.118 ( 3.947 11.290 -1.114) 12.012 18.658 ( 7.811 4.134 2.830) 9.280 18.932 ( -15.730 4.517 -1.105) 16.403 19.854 ( 5.807 5.232 -1.682) 7.995 20.041 ( -2.042 3.613 -5.362) 6.781 20.755 ( 8.465 -2.196 -5.674) 10.425 21.981 ( -0.292 -2.466 -2.702) 3.670 22.114 ( -0.462 -0.584 2.973) 3.065 22.306 ( -3.904 -17.110 11.423) 20.940 ======================= Grid point 206 (108/131) ======================= q-point: (-0.53 -0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.568 -7.441 -17.429) 19.493 2.120 ( 2.203 -11.256 -13.994) 18.094 2.841 ( -2.315 0.426 5.708) 6.174 3.032 ( 1.358 -3.406 10.820) 11.425 3.787 ( -0.063 -4.467 -13.530) 14.249 4.087 ( 1.558 -10.409 -6.582) 12.413 4.536 ( 6.912 -6.419 5.091) 10.720 4.643 ( 1.242 -6.645 -6.496) 9.375 4.913 ( 0.858 -0.952 6.545) 6.670 5.470 ( 0.055 -4.161 3.146) 5.216 5.606 ( 4.812 -6.319 12.811) 15.073 5.716 ( 6.602 -10.460 3.519) 12.861 6.676 ( -0.182 6.409 5.640) 8.540 6.926 ( 2.048 -1.100 7.563) 7.912 7.651 ( -10.895 8.221 3.398) 14.065 8.018 ( 7.286 -0.790 1.351) 7.452 8.861 ( -2.539 3.429 1.523) 4.530 8.972 ( 0.299 0.072 2.993) 3.009 9.444 ( -5.765 6.221 -14.709) 16.979 10.132 ( -6.175 7.692 3.849) 10.588 10.728 ( -7.926 2.037 -24.449) 25.783 10.953 ( 9.573 3.593 -6.350) 12.036 11.816 ( 6.958 -13.572 3.430) 15.633 11.968 ( -0.156 1.705 -2.168) 2.763 12.297 ( 2.670 -7.710 0.001) 8.159 12.478 ( 1.520 -0.935 22.313) 22.384 14.724 ( -9.730 28.301 -3.422) 30.122 15.221 ( -13.872 8.951 0.554) 16.519 18.747 ( -12.317 4.895 0.140) 13.254 18.962 ( 9.639 8.895 1.183) 13.169 19.986 ( -6.980 3.260 -3.174) 8.332 20.085 ( 1.312 5.168 -2.066) 5.718 20.858 ( 9.119 -10.144 -19.632) 23.906 21.795 ( -1.945 -12.264 14.100) 18.788 21.968 ( 3.571 -5.145 5.004) 8.016 22.160 ( 1.216 -0.551 3.942) 4.162 ======================= Grid point 209 (109/131) ======================= q-point: (-0.53 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 5.388 -3.630 -15.396) 16.711 2.149 ( 10.911 -2.689 -13.023) 17.201 2.847 ( 0.214 2.476 6.140) 6.624 3.055 ( 4.671 -1.734 13.320) 14.221 3.831 ( 12.362 -2.185 -18.829) 22.630 3.952 ( -3.086 0.897 -5.751) 6.588 4.558 ( 6.855 -7.089 -2.740) 10.235 4.652 ( 9.572 -2.279 0.459) 9.850 4.940 ( -0.117 1.567 7.931) 8.085 5.510 ( 5.316 -2.340 4.808) 7.540 5.558 ( 5.499 -2.876 11.687) 13.232 5.690 ( 8.732 -7.170 4.152) 12.037 6.793 ( 0.493 1.608 5.175) 5.441 6.884 ( -0.699 -4.087 7.278) 8.376 7.649 ( -5.999 10.454 3.606) 12.581 8.024 ( -0.338 -7.017 0.199) 7.028 8.884 ( -1.359 3.118 1.169) 3.597 8.938 ( -1.959 -1.246 5.102) 5.605 9.373 ( -16.001 8.192 -15.813) 23.941 9.910 ( -12.342 2.696 3.686) 13.160 10.729 ( -3.209 5.195 -27.692) 28.357 11.309 ( 9.188 -3.612 -3.174) 10.370 11.712 ( 12.182 -7.097 2.592) 14.335 12.057 ( 3.014 -1.072 0.040) 3.199 12.198 ( 2.661 -2.589 0.153) 3.716 12.469 ( 0.016 -1.361 21.336) 21.379 14.844 ( -24.096 6.976 -6.682) 25.960 15.114 ( -11.981 16.371 3.762) 20.633 18.649 ( -7.996 5.457 1.823) 9.851 19.235 ( 1.657 -1.014 0.988) 2.179 19.850 ( -8.062 2.507 -3.704) 9.220 20.113 ( -3.852 0.841 -7.440) 8.420 20.683 ( 1.601 -7.744 -8.749) 11.793 21.854 ( 10.142 1.643 3.357) 10.809 22.025 ( 12.392 -3.959 8.945) 15.788 22.155 ( 0.245 -1.309 4.137) 4.346 ======================= Grid point 224 (110/131) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 0.000 -27.084) 27.084 1.250 ( 0.000 0.000 -27.084) 27.084 2.430 ( 0.000 0.000 -51.521) 51.521 3.131 ( -0.000 -0.000 9.735) 9.735 3.131 ( -0.000 -0.000 9.735) 9.735 3.858 ( 0.000 0.000 -10.133) 10.133 4.387 ( -0.000 -0.000 4.440) 4.440 4.387 ( -0.000 -0.000 4.440) 4.440 5.254 ( -0.000 -0.000 10.729) 10.729 5.450 ( -0.000 -0.000 4.253) 4.253 5.450 ( -0.000 -0.000 4.253) 4.253 5.958 ( -0.000 -0.000 17.790) 17.790 7.044 ( -0.000 -0.000 9.036) 9.036 7.044 ( -0.000 -0.000 9.036) 9.036 7.431 ( 0.000 0.000 -5.775) 5.775 8.482 ( -0.000 -0.000 15.650) 15.650 8.990 ( -0.000 -0.000 3.350) 3.350 8.990 ( -0.000 -0.000 3.350) 3.350 9.986 ( 0.000 0.000 -11.747) 11.747 10.313 ( 0.000 0.000 -24.247) 24.247 10.497 ( 0.000 0.000 -0.668) 0.668 10.670 ( 0.000 0.000 -7.450) 7.450 10.670 ( 0.000 0.000 -7.450) 7.450 12.079 ( 0.000 0.000 -1.124) 1.124 12.079 ( 0.000 0.000 -1.124) 1.124 13.029 ( -0.000 -0.000 20.971) 20.971 15.664 ( -0.000 -0.000 4.129) 4.129 15.676 ( -0.000 -0.000 8.408) 8.408 19.219 ( -0.000 -0.000 1.267) 1.267 19.219 ( -0.000 -0.000 1.267) 1.267 19.770 ( 0.000 0.000 -23.618) 23.618 20.177 ( 0.000 0.000 -1.354) 1.354 20.177 ( 0.000 0.000 -1.354) 1.354 21.490 ( -0.000 -0.000 10.051) 10.051 21.753 ( 0.000 0.000 -3.885) 3.885 22.279 ( -0.000 -0.000 5.411) 5.411 ======================= Grid point 225 (111/131) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 3.036 6.292 -0.000) 6.987 2.449 ( 13.119 10.592 0.000) 16.861 3.104 ( -5.996 -6.959 0.000) 9.186 3.228 ( 4.047 -1.583 0.000) 4.346 3.526 ( -3.696 -1.588 -0.000) 4.023 4.450 ( 1.750 10.490 -0.000) 10.635 4.827 ( -0.622 -4.887 0.000) 4.926 4.962 ( -7.834 -6.068 -0.000) 9.910 5.384 ( 8.082 -0.839 0.000) 8.125 5.826 ( -8.682 -7.774 -0.000) 11.653 6.111 ( 1.193 2.527 -0.000) 2.794 6.204 ( 8.614 -2.321 0.000) 8.922 6.312 ( 0.839 -0.976 0.000) 1.287 6.591 ( 5.251 -8.315 0.000) 9.835 7.561 ( 9.056 5.499 0.000) 10.595 7.654 ( -19.083 -4.154 -0.000) 19.530 8.350 ( -5.529 16.471 -0.000) 17.375 8.993 ( 3.929 -5.714 0.000) 6.934 9.157 ( 2.661 -5.744 0.000) 6.331 9.991 ( 4.920 1.287 0.000) 5.085 10.990 ( -12.426 12.540 -0.000) 17.653 11.146 ( 19.340 8.977 0.000) 21.322 11.167 ( -5.407 -5.149 -0.000) 7.466 12.363 ( 1.854 -10.252 0.000) 10.419 12.507 ( -6.099 -0.148 -0.000) 6.101 12.687 ( 4.259 -6.263 0.000) 7.574 13.746 ( -8.425 10.169 -0.000) 13.206 14.897 ( 4.164 -1.274 0.000) 4.355 18.601 ( 8.896 -2.628 0.000) 9.276 18.877 ( -11.104 -0.228 -0.000) 11.107 19.728 ( 2.157 1.062 0.000) 2.405 19.900 ( -7.871 6.501 -0.000) 10.209 20.682 ( 10.918 4.906 0.000) 11.970 22.032 ( 2.033 2.124 -0.000) 2.940 22.110 ( -2.762 -2.389 -0.000) 3.652 22.837 ( -3.596 -12.216 0.000) 12.735 ======================= Grid point 226 (112/131) ======================= q-point: (-0.75 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 3.781 -4.213 0.000) 5.661 2.655 ( 0.387 -4.012 0.000) 4.031 2.891 ( -3.429 -5.003 0.000) 6.066 3.176 ( -1.912 -10.154 0.000) 10.332 3.531 ( -1.804 12.817 -0.000) 12.943 4.583 ( 2.426 -3.125 0.000) 3.956 4.678 ( -8.284 -2.781 -0.000) 8.739 4.706 ( 0.975 -6.249 0.000) 6.324 5.446 ( -8.259 -10.801 0.000) 13.597 5.554 ( 11.234 -3.967 0.000) 11.914 6.037 ( 6.538 -15.339 0.000) 16.674 6.178 ( 7.891 -14.158 0.000) 16.208 6.375 ( 0.522 4.741 -0.000) 4.770 6.656 ( -0.718 8.611 -0.000) 8.641 7.303 ( -13.598 2.379 -0.000) 13.804 7.896 ( 9.572 6.519 0.000) 11.581 8.624 ( -3.265 13.656 -0.000) 14.041 8.963 ( 1.833 -3.211 0.000) 3.697 9.366 ( 14.010 13.055 0.000) 19.150 9.964 ( 0.259 -10.152 0.000) 10.155 10.832 ( -18.731 5.765 -0.000) 19.598 10.968 ( -11.610 2.343 -0.000) 11.844 11.651 ( 18.145 3.781 0.000) 18.535 12.304 ( 8.032 -6.403 0.000) 10.272 12.367 ( -2.847 -4.393 0.000) 5.235 12.628 ( 3.346 -8.214 0.000) 8.869 13.803 ( -11.924 17.417 -0.000) 21.108 14.885 ( -11.454 6.752 -0.000) 13.296 18.683 ( -6.938 -1.485 -0.000) 7.095 18.773 ( 11.522 -0.291 0.000) 11.525 19.842 ( -10.408 6.161 -0.000) 12.095 19.854 ( 3.582 5.658 -0.000) 6.696 21.046 ( 14.758 7.015 0.000) 16.341 22.002 ( -3.173 -2.462 -0.000) 4.016 22.114 ( 2.426 1.646 0.000) 2.932 22.379 ( -12.554 -18.391 0.000) 22.268 ======================= Grid point 231 (113/131) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -7.604 -9.308 0.000) 12.019 2.408 ( 2.675 -4.088 0.000) 4.885 2.797 ( -0.691 -0.123 -0.000) 0.702 2.937 ( -3.656 -5.300 0.000) 6.439 3.772 ( 2.012 9.858 -0.000) 10.061 4.396 ( -3.531 -12.525 0.000) 13.013 4.615 ( 0.631 3.194 -0.000) 3.256 4.691 ( 6.093 -1.768 0.000) 6.344 5.094 ( -7.354 -10.177 0.000) 12.556 5.666 ( 11.354 -4.932 0.000) 12.379 5.876 ( 10.635 -18.153 0.000) 21.039 6.048 ( 6.438 -13.055 0.000) 14.556 6.530 ( 5.040 5.313 -0.000) 7.323 6.844 ( 1.058 10.069 -0.000) 10.124 7.152 ( -11.466 4.377 -0.000) 12.273 8.170 ( 7.387 3.876 0.000) 8.342 8.723 ( -2.685 5.104 -0.000) 5.767 8.922 ( -1.789 -1.344 -0.000) 2.237 9.654 ( -5.213 -14.170 0.000) 15.098 9.785 ( -4.342 5.808 -0.000) 7.252 10.780 ( 0.895 16.172 -0.000) 16.196 10.821 ( -13.959 8.517 -0.000) 16.352 12.013 ( 16.556 -0.525 0.000) 16.564 12.225 ( -0.192 -8.360 0.000) 8.362 12.352 ( 8.610 -6.730 0.000) 10.929 12.494 ( 0.279 -8.584 0.000) 8.588 13.998 ( -12.201 27.024 -0.000) 29.651 14.712 ( -20.381 7.709 -0.000) 21.790 18.547 ( -4.174 -1.473 -0.000) 4.426 19.029 ( 11.266 3.277 0.000) 11.733 19.753 ( -9.619 5.202 -0.000) 10.935 20.037 ( 1.871 6.311 -0.000) 6.582 21.534 ( 18.022 9.907 0.000) 20.565 21.621 ( -17.788 -22.670 0.000) 28.816 21.960 ( -1.155 -1.749 0.000) 2.096 22.181 ( 1.758 0.619 0.000) 1.864 ======================= Grid point 233 (114/131) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.890 -1.486 0.000) 1.732 2.402 ( -0.758 0.900 -0.000) 1.177 2.864 ( 3.130 4.006 -0.000) 5.084 2.902 ( 5.362 -0.285 0.000) 5.370 4.033 ( 6.979 9.396 -0.000) 11.704 4.069 ( -6.657 -9.870 0.000) 11.906 4.766 ( 4.834 0.795 0.000) 4.899 4.810 ( -1.787 -1.980 0.000) 2.667 4.838 ( 5.774 3.605 0.000) 6.807 5.722 ( 9.198 -15.878 0.000) 18.350 5.831 ( 13.494 -5.173 0.000) 14.451 5.956 ( 7.369 -9.521 0.000) 12.039 6.690 ( 0.651 3.139 -0.000) 3.206 6.918 ( -5.300 -7.636 0.000) 9.295 7.126 ( -4.270 17.451 -0.000) 17.966 8.250 ( 1.400 -6.709 0.000) 6.854 8.771 ( -0.956 3.860 -0.000) 3.977 8.869 ( -0.543 -0.472 -0.000) 0.720 9.276 ( -10.999 -8.225 -0.000) 13.734 9.637 ( -6.348 1.573 -0.000) 6.540 10.778 ( -11.905 13.402 -0.000) 17.926 11.223 ( 3.321 13.972 -0.000) 14.361 11.977 ( -4.314 -13.138 0.000) 13.828 12.259 ( 11.071 -2.896 0.000) 11.443 12.337 ( 0.066 -7.308 0.000) 7.308 12.416 ( 12.587 -5.332 0.000) 13.669 14.349 ( -10.411 30.063 -0.000) 31.815 14.423 ( -19.918 3.658 -0.000) 20.251 18.465 ( -2.532 -0.045 -0.000) 2.532 19.279 ( 5.882 1.760 0.000) 6.140 19.687 ( -5.445 3.520 -0.000) 6.483 20.140 ( -1.378 3.373 -0.000) 3.644 20.867 ( -14.004 -17.424 0.000) 22.354 21.959 ( 0.459 1.366 -0.000) 1.441 22.085 ( 17.858 8.777 0.000) 19.898 22.195 ( 0.657 -1.049 0.000) 1.237 ======================= Grid point 237 (115/131) ======================= q-point: ( 0.25 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 4.819 3.696 0.000) 6.073 2.407 ( -6.213 7.147 -0.000) 9.471 3.037 ( 8.610 -2.389 0.000) 8.935 3.042 ( 5.537 5.073 0.000) 7.509 3.739 ( -10.663 -6.080 -0.000) 12.275 4.369 ( 7.046 7.467 -0.000) 10.267 4.741 ( 4.829 -1.681 0.000) 5.113 4.981 ( 3.825 -0.942 0.000) 3.939 5.091 ( 9.364 9.312 0.000) 13.206 5.697 ( 11.083 -4.270 0.000) 11.877 5.975 ( 10.007 -2.776 0.000) 10.385 5.984 ( 9.023 -3.174 0.000) 9.565 6.584 ( -10.797 -8.390 -0.000) 13.674 6.643 ( -8.042 0.252 -0.000) 8.046 7.402 ( -0.805 13.389 -0.000) 13.413 7.988 ( -1.319 -16.895 0.000) 16.947 8.789 ( -10.835 -7.027 -0.000) 12.914 8.845 ( 1.696 3.693 -0.000) 4.064 9.010 ( -1.864 3.762 -0.000) 4.198 9.754 ( 5.993 8.190 -0.000) 10.148 10.881 ( -9.543 18.349 -0.000) 20.682 11.303 ( -4.261 -2.582 -0.000) 4.982 11.558 ( -10.433 -14.701 0.000) 18.027 12.248 ( 4.411 -4.807 0.000) 6.524 12.438 ( 8.110 3.308 0.000) 8.759 12.553 ( 9.557 -5.570 0.000) 11.062 14.096 ( -14.939 -2.372 -0.000) 15.127 14.698 ( -6.179 21.037 -0.000) 21.926 18.464 ( -0.436 3.397 -0.000) 3.425 19.177 ( -2.242 -13.821 0.000) 14.001 19.696 ( -1.957 3.876 -0.000) 4.342 20.102 ( -4.311 -1.815 -0.000) 4.677 20.575 ( -4.265 4.831 -0.000) 6.445 22.006 ( -0.081 2.515 -0.000) 2.516 22.144 ( 0.618 -3.327 0.000) 3.384 22.559 ( 15.598 4.201 0.000) 16.153 ======================= Grid point 241 (116/131) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 103 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -3.157 -6.314 -0.000) 7.059 2.348 ( 3.157 6.314 -0.000) 7.059 2.556 ( -1.574 -3.148 0.000) 3.520 2.556 ( 1.574 3.148 0.000) 3.520 3.694 ( -0.900 -1.800 -0.000) 2.012 3.694 ( 0.900 1.800 -0.000) 2.012 4.899 ( -0.778 -1.556 -0.000) 1.740 4.899 ( 0.778 1.556 -0.000) 1.740 5.761 ( -0.899 -1.797 -0.000) 2.009 5.761 ( 0.899 1.797 -0.000) 2.009 6.577 ( -0.995 -1.990 -0.000) 2.225 6.577 ( 0.995 1.990 0.000) 2.225 6.752 ( -1.784 -3.569 -0.000) 3.990 6.752 ( 1.784 3.569 -0.000) 3.990 7.462 ( -3.086 -6.171 -0.000) 6.899 7.462 ( 3.086 6.171 -0.000) 6.899 9.053 ( -4.027 -8.054 -0.000) 9.005 9.053 ( 4.027 8.054 -0.000) 9.005 9.195 ( -3.172 -6.344 -0.000) 7.093 9.195 ( 3.172 6.344 0.000) 7.093 10.545 ( -6.935 -13.870 -0.000) 15.508 10.545 ( 6.935 13.870 -0.000) 15.508 12.409 ( -7.171 -14.343 -0.000) 16.036 12.409 ( 7.171 14.343 -0.000) 16.036 12.722 ( -0.513 -1.026 -0.000) 1.147 12.722 ( 0.513 1.026 -0.000) 1.147 13.435 ( -4.951 -9.901 -0.000) 11.070 13.435 ( 4.951 9.901 -0.000) 11.070 18.924 ( -4.075 -8.150 -0.000) 9.113 18.924 ( 4.075 8.150 -0.000) 9.113 19.718 ( -1.649 -3.298 -0.000) 3.687 19.718 ( 1.649 3.298 -0.000) 3.687 21.574 ( -7.034 -14.068 -0.000) 15.728 21.574 ( 7.034 14.068 -0.000) 15.728 22.012 ( -1.276 -2.551 -0.000) 2.852 22.012 ( 1.276 2.551 0.000) 2.852 ======================= Grid point 253 (117/131) ======================= q-point: (-0.48 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 1.612 -7.185 -17.382) 18.878 2.116 ( -0.864 -12.713 -14.407) 19.234 2.875 ( -0.327 -0.183 6.222) 6.233 3.017 ( -0.730 -5.945 12.205) 13.596 3.802 ( -0.834 -8.768 -18.309) 20.317 4.025 ( 4.438 -5.156 -8.901) 11.203 4.469 ( -0.843 -7.238 5.061) 8.872 4.629 ( -0.011 -11.675 -5.322) 12.831 4.930 ( -1.962 1.990 6.993) 7.531 5.487 ( 0.481 -4.011 15.992) 16.495 5.559 ( -1.551 -6.613 1.047) 6.872 5.613 ( 2.827 -9.424 5.654) 11.348 6.728 ( -4.824 4.940 4.839) 8.431 6.887 ( 1.982 -0.635 7.957) 8.224 7.783 ( 0.689 -5.254 0.160) 5.301 7.917 ( -0.784 10.725 5.314) 11.995 8.900 ( -1.316 1.879 3.388) 4.092 8.949 ( 1.870 1.344 1.604) 2.806 9.494 ( 1.706 15.313 -16.934) 22.895 10.044 ( 10.443 13.612 5.990) 18.172 10.812 ( 3.393 1.534 -27.534) 27.784 11.033 ( -18.397 -7.031 -5.866) 20.550 11.715 ( 3.784 -15.502 3.063) 16.248 12.004 ( -3.135 1.502 -0.931) 3.599 12.225 ( 3.845 -5.916 0.014) 7.056 12.460 ( 0.286 0.090 23.265) 23.267 14.858 ( -3.729 27.504 -2.519) 27.870 15.334 ( 3.334 10.232 0.574) 10.777 18.784 ( 8.297 9.213 1.381) 12.475 19.040 ( -15.991 6.134 -0.464) 17.134 19.969 ( 7.260 6.560 -3.524) 10.400 20.108 ( -2.001 3.266 -4.623) 6.004 20.671 ( 6.427 -6.644 -11.944) 15.103 21.874 ( -2.187 -21.667 15.464) 26.709 21.931 ( -2.199 -3.627 -3.229) 5.330 22.145 ( 0.213 -0.422 5.719) 5.739 ======================= Grid point 256 (118/131) ======================= q-point: (-0.48 -0.28 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.778 -5.641 -19.939) 20.907 1.951 ( 8.034 -5.445 -18.122) 20.557 2.853 ( -1.014 0.995 8.937) 9.049 2.970 ( 3.954 -3.186 12.843) 13.810 3.635 ( 6.823 -7.507 -29.265) 30.973 4.013 ( -2.534 0.599 -4.808) 5.468 4.413 ( 7.369 -5.071 0.710) 8.973 4.487 ( 6.448 -8.070 -0.640) 10.349 4.961 ( -1.861 3.323 7.617) 8.516 5.418 ( 3.010 -0.918 1.907) 3.679 5.508 ( 1.250 -5.055 20.811) 21.452 5.535 ( 6.611 -6.137 4.242) 9.967 6.789 ( -0.576 4.672 5.314) 7.099 6.887 ( 0.311 -2.416 7.060) 7.468 7.689 ( 1.358 -2.470 -2.153) 3.547 8.047 ( -2.127 2.963 8.700) 9.434 8.912 ( -1.443 1.803 1.160) 2.585 8.956 ( -0.036 -0.864 3.467) 3.573 9.695 ( -15.050 17.154 -13.399) 26.464 10.201 ( -16.220 0.792 2.014) 16.363 10.783 ( -2.197 2.913 -27.426) 27.668 11.040 ( 17.539 4.015 -4.834) 18.630 11.444 ( 11.387 -20.695 -2.780) 23.784 12.045 ( -0.521 3.976 0.076) 4.011 12.169 ( 1.263 -5.148 -0.129) 5.302 12.466 ( 0.254 -0.352 26.232) 26.235 15.225 ( -12.053 20.054 -2.498) 23.530 15.357 ( -13.281 5.454 3.648) 14.813 18.866 ( -14.319 7.221 0.005) 16.036 19.157 ( 6.017 8.699 0.789) 10.607 20.028 ( -8.851 1.669 -4.448) 10.045 20.165 ( -1.071 2.491 -2.976) 4.026 20.612 ( 6.368 -12.584 -18.210) 23.033 21.561 ( 14.366 -10.240 19.116) 26.012 21.904 ( 2.792 -2.279 -3.291) 4.881 22.148 ( 0.365 -0.508 5.602) 5.637 ======================= Grid point 273 (119/131) ======================= q-point: (-0.70 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 4.169 -4.586 0.000) 6.197 2.560 ( 7.611 0.516 0.000) 7.629 2.974 ( -4.011 -5.831 0.000) 7.077 3.136 ( 4.403 -7.658 0.000) 8.834 3.618 ( -6.022 10.128 -0.000) 11.783 4.491 ( 5.652 -5.165 0.000) 7.657 4.711 ( -1.270 -6.956 0.000) 7.071 4.867 ( -9.422 -3.042 -0.000) 9.901 5.313 ( 12.817 -6.133 0.000) 14.209 5.598 ( -6.661 -14.942 0.000) 16.359 5.966 ( 1.157 -12.383 0.000) 12.437 6.025 ( 6.805 -11.028 0.000) 12.958 6.432 ( -6.087 7.680 -0.000) 9.799 6.651 ( 0.595 8.231 -0.000) 8.253 7.629 ( -18.817 2.040 -0.000) 18.927 7.672 ( 13.341 5.587 0.000) 14.464 8.690 ( -3.697 14.317 -0.000) 14.787 8.913 ( 3.183 -2.175 0.000) 3.856 9.133 ( 9.171 6.622 0.000) 11.311 9.898 ( 6.009 -9.015 0.000) 10.834 11.155 ( -5.546 3.999 -0.000) 6.838 11.178 ( -9.384 5.011 -0.000) 10.638 11.329 ( 6.515 9.272 -0.000) 11.332 12.211 ( 1.381 -4.888 0.000) 5.079 12.438 ( -4.200 -7.080 0.000) 8.232 12.543 ( 4.743 -8.285 0.000) 9.546 13.997 ( -7.730 16.103 -0.000) 17.862 14.958 ( 4.860 6.945 -0.000) 8.477 18.578 ( 8.227 0.450 0.000) 8.239 18.888 ( -13.888 1.580 -0.000) 13.977 19.776 ( 4.243 3.807 0.000) 5.701 20.016 ( -6.968 5.327 -0.000) 8.771 20.766 ( 13.236 3.684 0.000) 13.739 22.060 ( 2.920 0.735 0.000) 3.011 22.070 ( -3.867 -1.744 -0.000) 4.242 22.553 ( -4.845 -17.154 0.000) 17.825 ======================= Grid point 278 (120/131) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 4.473 -5.611 0.000) 7.176 2.494 ( -1.565 -10.390 0.000) 10.507 2.833 ( -2.748 -2.174 -0.000) 3.504 2.991 ( -0.936 -8.609 0.000) 8.660 3.772 ( -2.197 10.941 -0.000) 11.160 4.401 ( 2.478 -13.348 0.000) 13.576 4.583 ( 4.211 -5.934 0.000) 7.276 4.673 ( -6.609 1.904 -0.000) 6.878 5.215 ( -4.258 -13.399 0.000) 14.059 5.439 ( 12.652 -7.180 0.000) 14.548 5.725 ( 3.649 -15.243 0.000) 15.673 5.922 ( 6.473 -12.193 0.000) 13.804 6.478 ( -0.689 6.107 -0.000) 6.146 6.805 ( 2.160 4.779 -0.000) 5.244 7.420 ( -15.073 9.333 -0.000) 17.729 7.997 ( 10.329 3.148 0.000) 10.798 8.777 ( -2.577 4.033 -0.000) 4.786 8.938 ( 0.355 0.106 0.000) 0.371 9.725 ( -1.996 -11.188 0.000) 11.365 9.725 ( 10.397 20.675 -0.000) 23.142 10.893 ( -12.252 1.316 -0.000) 12.322 11.086 ( -12.778 7.710 -0.000) 14.924 11.709 ( 14.438 2.414 0.000) 14.638 12.214 ( 5.124 -3.283 0.000) 6.085 12.223 ( -0.137 -10.264 0.000) 10.264 12.458 ( 3.364 -8.851 0.000) 9.469 14.220 ( -10.187 25.157 -0.000) 27.142 15.051 ( -12.550 9.389 -0.000) 15.673 18.683 ( -10.198 1.577 -0.000) 10.319 18.811 ( 10.705 4.362 0.000) 11.560 19.948 ( -9.702 4.628 -0.000) 10.749 19.977 ( 4.300 6.724 -0.000) 7.981 21.165 ( 19.346 4.992 0.000) 19.980 21.921 ( -11.033 -14.638 0.000) 18.330 22.011 ( -5.554 -10.590 0.000) 11.958 22.130 ( 3.288 -0.115 0.000) 3.290 ======================= Grid point 280 (121/131) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -3.521 -6.642 0.000) 7.518 2.356 ( 4.808 -1.230 0.000) 4.963 2.813 ( 1.996 1.068 0.000) 2.264 2.847 ( 0.720 -3.835 0.000) 3.902 3.933 ( 2.871 6.867 -0.000) 7.444 4.130 ( -1.041 -12.213 0.000) 12.258 4.688 ( 9.605 1.394 0.000) 9.705 4.713 ( 0.229 6.811 -0.000) 6.815 4.887 ( -3.800 -12.035 0.000) 12.621 5.509 ( 11.602 -16.661 0.000) 20.303 5.596 ( 9.752 -4.394 0.000) 10.696 5.818 ( 6.751 -10.382 0.000) 12.384 6.643 ( 3.091 5.798 -0.000) 6.570 6.896 ( 3.303 -3.031 0.000) 4.483 7.355 ( -14.202 13.911 -0.000) 19.880 8.167 ( 6.894 -4.414 0.000) 8.186 8.805 ( -2.277 3.939 -0.000) 4.550 8.901 ( -2.149 -1.474 -0.000) 2.606 9.474 ( -9.269 -2.229 -0.000) 9.533 9.845 ( -13.616 0.798 -0.000) 13.639 11.007 ( -11.478 9.542 -0.000) 14.926 11.099 ( 9.449 15.240 -0.000) 17.932 11.988 ( 14.480 -1.745 0.000) 14.585 12.002 ( 0.749 -14.255 0.000) 14.275 12.242 ( 6.112 -4.416 0.000) 7.540 12.340 ( 0.572 -7.019 0.000) 7.042 14.561 ( -10.796 29.448 -0.000) 31.365 14.844 ( -22.247 5.409 -0.000) 22.895 18.553 ( -6.842 2.093 -0.000) 7.155 19.132 ( 8.903 6.789 0.000) 11.196 19.834 ( -9.278 2.970 -0.000) 9.742 20.145 ( 0.830 4.558 -0.000) 4.633 21.159 ( -15.435 -23.250 0.000) 27.907 21.691 ( 22.440 5.837 0.000) 23.187 21.953 ( -0.031 0.727 -0.000) 0.728 22.167 ( 2.345 -2.138 0.000) 3.173 ======================= Grid point 284 (122/131) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.526 1.711 0.000) 3.919 2.441 ( 2.273 2.621 -0.000) 3.469 2.891 ( 6.251 -0.599 0.000) 6.279 2.930 ( 5.831 2.647 0.000) 6.404 3.913 ( -6.454 -5.526 -0.000) 8.496 4.195 ( 9.255 7.327 0.000) 11.804 4.660 ( 3.054 -6.575 0.000) 7.250 4.909 ( 4.783 1.924 0.000) 5.155 4.942 ( 5.555 10.260 -0.000) 11.667 5.414 ( 15.332 -13.314 0.000) 20.306 5.779 ( 10.928 -0.708 0.000) 10.951 5.812 ( 8.799 -5.606 0.000) 10.433 6.739 ( -1.822 1.907 -0.000) 2.637 6.741 ( -4.994 -9.824 0.000) 11.020 7.470 ( -5.969 16.900 -0.000) 17.923 8.030 ( -1.917 -14.634 0.000) 14.759 8.845 ( -1.346 3.694 -0.000) 3.931 8.848 ( -0.366 -1.505 0.000) 1.549 9.255 ( -17.385 5.820 -0.000) 18.333 9.689 ( -0.961 3.021 -0.000) 3.170 11.043 ( -7.019 12.918 -0.000) 14.702 11.375 ( -1.907 1.332 -0.000) 2.326 11.683 ( -2.905 -16.241 0.000) 16.499 12.217 ( -0.494 -4.710 0.000) 4.735 12.240 ( 13.281 0.719 0.000) 13.301 12.341 ( 10.101 -1.862 0.000) 10.271 14.451 ( -21.489 -0.979 -0.000) 21.511 14.869 ( -10.546 21.741 -0.000) 24.164 18.505 ( -3.994 4.170 -0.000) 5.774 19.221 ( -1.783 -9.652 0.000) 9.815 19.755 ( -4.441 4.727 -0.000) 6.486 20.169 ( -2.528 -0.694 -0.000) 2.622 20.677 ( -6.115 -0.706 -0.000) 6.156 21.999 ( 0.710 2.731 -0.000) 2.822 22.123 ( 2.651 -3.487 0.000) 4.381 22.212 ( 19.205 1.389 0.000) 19.255 ======================= Grid point 303 (123/131) ======================= q-point: (-0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.868 -3.823 -21.061) 21.422 1.894 ( -0.817 -9.122 -19.916) 21.921 2.877 ( 0.178 0.248 10.349) 10.354 2.919 ( -0.396 -3.852 12.650) 13.230 3.566 ( 0.326 -10.502 -34.688) 36.245 4.037 ( 0.515 2.724 -6.241) 6.829 4.343 ( -1.260 -5.132 4.579) 6.992 4.409 ( 0.990 -10.167 -0.959) 10.260 4.992 ( -0.492 3.651 7.259) 8.140 5.409 ( -2.021 -3.898 5.601) 7.117 5.439 ( 2.360 -6.272 1.564) 6.881 5.498 ( 0.077 -1.514 21.732) 21.785 6.818 ( -1.849 4.029 5.410) 6.994 6.871 ( 1.260 -0.762 7.005) 7.158 7.657 ( 0.394 -6.462 -5.309) 8.372 8.078 ( -0.261 5.492 12.627) 13.772 8.931 ( -0.093 1.241 1.754) 2.151 8.950 ( 0.253 -0.556 1.839) 1.938 9.889 ( -2.400 23.342 -12.509) 26.591 10.304 ( 9.593 12.025 2.957) 15.664 10.828 ( 2.195 -0.460 -19.635) 19.763 10.907 ( -14.341 -5.433 -12.794) 19.971 11.282 ( 5.022 -24.932 -5.752) 26.075 12.072 ( -1.840 3.018 -0.174) 3.539 12.133 ( 1.965 -3.276 -0.487) 3.851 12.463 ( 0.020 0.106 28.135) 28.135 15.350 ( -2.087 20.440 1.346) 20.590 15.494 ( 2.053 5.934 2.396) 6.720 19.017 ( 7.789 13.720 0.163) 15.778 19.149 ( -10.825 4.484 0.403) 11.724 20.101 ( 4.646 6.650 -5.491) 9.796 20.167 ( -1.891 2.805 -2.258) 4.067 20.491 ( 1.792 -11.631 -17.562) 21.140 21.433 ( -1.489 -20.391 18.300) 27.439 21.879 ( -0.110 -2.103 -5.111) 5.528 22.144 ( 0.041 0.013 6.350) 6.350 ======================= Grid point 323 (124/131) ======================= q-point: (-0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.864 -5.670 0.000) 6.861 2.486 ( 1.728 -6.949 0.000) 7.160 2.876 ( -1.316 -4.706 0.000) 4.887 2.974 ( 1.973 -8.308 0.000) 8.539 3.835 ( -3.484 10.639 -0.000) 11.195 4.320 ( 5.478 -10.855 0.000) 12.159 4.561 ( -2.396 -8.245 0.000) 8.586 4.839 ( -8.558 0.004 -0.000) 8.558 5.178 ( 13.434 -6.680 0.000) 15.003 5.267 ( -2.612 -18.656 0.000) 18.838 5.728 ( -2.896 -11.792 0.000) 12.142 5.813 ( 4.103 -10.738 0.000) 11.495 6.564 ( -7.571 5.934 -0.000) 9.619 6.770 ( 1.526 3.337 -0.000) 3.669 7.724 ( -16.059 6.647 -0.000) 17.380 7.766 ( 13.504 3.698 0.000) 14.001 8.818 ( -1.663 2.242 -0.000) 2.792 8.908 ( 2.588 1.197 0.000) 2.851 9.463 ( 14.081 22.870 -0.000) 26.857 9.733 ( 1.117 -5.651 0.000) 5.760 11.153 ( -8.308 -3.611 -0.000) 9.059 11.297 ( -8.298 5.767 -0.000) 10.105 11.490 ( 3.859 7.265 -0.000) 8.226 12.166 ( -0.228 -0.518 0.000) 0.566 12.236 ( -1.058 -13.273 0.000) 13.315 12.375 ( 4.429 -8.589 0.000) 9.664 14.381 ( -6.120 23.252 -0.000) 24.044 15.136 ( 4.713 10.485 -0.000) 11.496 18.625 ( 8.098 4.669 0.000) 9.347 18.944 ( -15.877 4.203 -0.000) 16.424 19.871 ( 6.318 5.886 0.000) 8.635 20.105 ( -5.933 3.735 -0.000) 7.010 20.824 ( 14.242 2.132 0.000) 14.401 22.040 ( -4.511 -1.432 -0.000) 4.732 22.061 ( 3.518 -0.603 0.000) 3.569 22.165 ( -6.384 -22.869 0.000) 23.744 ======================= Grid point 325 (125/131) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 5.587 -3.117 0.000) 6.398 2.298 ( -2.100 -9.166 0.000) 9.403 2.789 ( 0.537 -2.421 0.000) 2.480 2.843 ( 0.488 -6.593 0.000) 6.611 3.937 ( -3.353 6.020 -0.000) 6.891 4.140 ( -0.034 -11.397 0.000) 11.397 4.488 ( 9.681 -3.654 0.000) 10.348 4.757 ( -4.757 6.359 -0.000) 7.941 4.914 ( 1.179 -17.386 0.000) 17.426 5.289 ( 10.953 -8.442 0.000) 13.829 5.482 ( 1.796 -8.696 0.000) 8.880 5.698 ( 5.532 -10.909 0.000) 12.232 6.610 ( -0.507 6.975 -0.000) 6.993 6.839 ( 2.453 -0.598 0.000) 2.524 7.613 ( -12.088 8.895 -0.000) 15.008 8.001 ( 9.621 -2.548 0.000) 9.952 8.846 ( -1.629 3.548 -0.000) 3.904 8.934 ( -0.923 -1.092 0.000) 1.430 9.636 ( -7.334 3.739 -0.000) 8.232 10.059 ( -3.708 11.749 -0.000) 12.320 10.926 ( 3.851 3.176 0.000) 4.992 11.215 ( -9.457 4.449 -0.000) 10.451 11.752 ( 9.650 1.973 0.000) 9.850 11.976 ( 1.527 -14.528 0.000) 14.608 12.161 ( 2.212 -2.399 0.000) 3.263 12.301 ( 3.346 -6.992 0.000) 7.751 14.751 ( -8.356 28.085 -0.000) 29.301 15.220 ( -14.311 7.399 -0.000) 16.111 18.746 ( -13.227 4.865 -0.000) 14.094 18.948 ( 9.667 9.576 0.000) 13.607 20.021 ( -9.190 2.942 -0.000) 9.649 20.105 ( 3.499 6.097 -0.000) 7.030 21.231 ( 23.786 1.531 0.000) 23.835 21.446 ( -13.573 -27.175 0.000) 30.376 21.967 ( -1.517 -0.191 -0.000) 1.529 22.108 ( 3.492 -2.094 0.000) 4.072 ======================= Grid point 329 (126/131) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.565 -2.005 0.000) 2.082 2.344 ( 6.975 -0.516 0.000) 6.994 2.794 ( 3.729 -1.456 0.000) 4.003 2.822 ( 5.055 -0.065 0.000) 5.055 3.989 ( -2.025 -1.846 -0.000) 2.740 4.047 ( 5.337 4.918 0.000) 7.258 4.619 ( 1.893 -14.264 0.000) 14.389 4.741 ( 13.120 3.900 0.000) 13.688 4.880 ( 0.859 9.687 -0.000) 9.725 5.187 ( 6.854 -15.397 0.000) 16.854 5.563 ( 10.497 0.425 0.000) 10.506 5.642 ( 8.355 -7.824 0.000) 11.446 6.739 ( 0.942 3.894 -0.000) 4.006 6.795 ( -1.212 -6.502 0.000) 6.614 7.607 ( -7.364 11.418 -0.000) 13.587 8.023 ( 3.075 -9.365 0.000) 9.857 8.872 ( -1.968 -0.960 -0.000) 2.189 8.880 ( -1.863 3.484 -0.000) 3.951 9.586 ( -15.986 12.749 -0.000) 20.447 9.829 ( -13.372 -2.337 -0.000) 13.575 11.150 ( -3.922 3.266 -0.000) 5.104 11.324 ( 8.786 6.844 0.000) 11.137 11.710 ( -0.825 -13.316 0.000) 13.341 11.957 ( 13.206 -1.149 0.000) 13.256 12.193 ( 5.468 -0.381 0.000) 5.481 12.224 ( 0.495 -4.816 0.000) 4.841 14.908 ( -24.217 0.861 -0.000) 24.233 15.076 ( -10.027 21.532 -0.000) 23.753 18.629 ( -9.105 5.685 -0.000) 10.734 19.224 ( 1.850 -0.593 0.000) 1.943 19.883 ( -8.745 3.557 -0.000) 9.440 20.200 ( -0.726 0.721 -0.000) 1.023 20.809 ( -7.412 -9.753 0.000) 12.250 21.747 ( 26.042 -0.469 0.000) 26.047 21.983 ( 0.788 2.295 -0.000) 2.426 22.100 ( 2.156 -4.377 0.000) 4.879 ======================= Grid point 352 (127/131) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 0.000 -22.277) 22.277 1.799 ( 0.000 0.000 -22.277) 22.277 2.880 ( -0.000 -0.000 12.764) 12.764 2.880 ( -0.000 -0.000 12.764) 12.764 3.459 ( 0.000 0.000 -41.324) 41.324 4.078 ( 0.000 0.000 -8.615) 8.615 4.289 ( -0.000 -0.000 3.874) 3.874 4.289 ( -0.000 -0.000 3.874) 3.874 5.036 ( -0.000 -0.000 7.940) 7.940 5.368 ( -0.000 -0.000 2.954) 2.954 5.368 ( -0.000 -0.000 2.954) 2.954 5.490 ( -0.000 -0.000 24.059) 24.059 6.863 ( -0.000 -0.000 6.619) 6.619 6.863 ( -0.000 -0.000 6.619) 6.619 7.584 ( 0.000 0.000 -8.562) 8.562 8.131 ( -0.000 -0.000 15.853) 15.853 8.943 ( -0.000 -0.000 1.120) 1.120 8.943 ( -0.000 -0.000 1.120) 1.120 10.203 ( 0.000 0.000 -8.842) 8.842 10.475 ( -0.000 -0.000 2.852) 2.852 10.802 ( 0.000 0.000 -4.292) 4.292 10.802 ( 0.000 0.000 -4.292) 4.292 10.975 ( 0.000 0.000 -34.164) 34.164 12.101 ( 0.000 0.000 -0.820) 0.820 12.101 ( 0.000 0.000 -0.820) 0.820 12.464 ( -0.000 -0.000 30.210) 30.210 15.542 ( -0.000 -0.000 3.591) 3.591 15.574 ( -0.000 -0.000 3.738) 3.738 19.195 ( -0.000 -0.000 0.840) 0.840 19.195 ( -0.000 -0.000 0.840) 0.840 20.203 ( 0.000 0.000 -0.902) 0.902 20.203 ( 0.000 0.000 -0.902) 0.902 20.304 ( 0.000 0.000 -24.448) 24.448 21.209 ( -0.000 -0.000 15.688) 15.688 21.857 ( 0.000 0.000 -5.605) 5.605 22.144 ( -0.000 -0.000 6.795) 6.795 ======================= Grid point 373 (128/131) ======================= q-point: (-0.60 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.623 -3.140 0.000) 4.092 2.327 ( -1.131 -8.718 0.000) 8.791 2.784 ( 0.048 -4.546 0.000) 4.546 2.826 ( 0.754 -6.734 0.000) 6.776 4.000 ( -0.326 5.983 -0.000) 5.992 4.119 ( 2.404 -8.523 0.000) 8.856 4.407 ( -4.299 -7.190 0.000) 8.378 4.823 ( 3.154 -9.939 0.000) 10.427 4.935 ( -9.254 -6.880 -0.000) 11.531 5.080 ( 10.611 -3.267 0.000) 11.103 5.516 ( -4.727 -9.546 0.000) 10.652 5.606 ( 3.710 -10.379 0.000) 11.022 6.671 ( -5.440 5.126 -0.000) 7.474 6.796 ( 2.225 0.034 0.000) 2.226 7.809 ( 9.919 0.891 0.000) 9.959 7.829 ( -10.401 2.998 -0.000) 10.824 8.863 ( -0.316 2.687 -0.000) 2.706 8.929 ( 1.452 0.482 0.000) 1.530 9.757 ( -5.040 9.103 -0.000) 10.405 9.898 ( 16.515 20.583 -0.000) 26.390 11.046 ( -11.907 -6.603 -0.000) 13.615 11.351 ( -3.654 -2.033 -0.000) 4.181 11.614 ( 3.471 5.574 -0.000) 6.566 11.952 ( 0.658 -14.246 0.000) 14.261 12.158 ( -1.808 -0.839 -0.000) 1.993 12.228 ( 3.493 -6.248 0.000) 7.158 14.875 ( -4.180 26.200 -0.000) 26.532 15.332 ( 3.772 9.029 -0.000) 9.785 18.769 ( 8.455 10.232 -0.000) 13.274 19.044 ( -15.502 5.658 -0.000) 16.502 20.001 ( 7.014 7.335 -0.000) 10.149 20.162 ( -4.783 2.227 -0.000) 5.276 20.846 ( 13.026 0.050 0.000) 13.026 21.663 ( -8.130 -28.196 0.000) 29.344 22.017 ( -3.668 -1.089 -0.000) 3.826 22.039 ( 3.358 -1.547 0.000) 3.698 ======================= Grid point 377 (129/131) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.458 -4.938 0.000) 4.959 2.203 ( 6.579 -1.763 0.000) 6.811 2.741 ( 1.948 -3.554 0.000) 4.052 2.742 ( 3.044 -2.189 0.000) 3.749 4.015 ( -2.491 2.225 -0.000) 3.340 4.017 ( -1.154 -0.668 -0.000) 1.333 4.449 ( 14.877 -0.175 0.000) 14.878 4.562 ( 3.971 -17.899 0.000) 18.334 4.901 ( -2.712 7.961 -0.000) 8.410 5.115 ( 2.209 -8.564 0.000) 8.844 5.399 ( 5.613 -0.692 0.000) 5.655 5.503 ( 5.685 -8.818 0.000) 10.492 6.728 ( -0.265 4.774 -0.000) 4.781 6.805 ( 0.043 -2.495 0.000) 2.496 7.737 ( -5.857 4.243 -0.000) 7.232 7.925 ( 6.181 -4.566 0.000) 7.685 8.908 ( -0.868 2.440 -0.000) 2.590 8.912 ( -1.818 -0.555 -0.000) 1.901 9.863 ( -12.320 18.038 -0.000) 21.844 10.157 ( -17.375 -1.011 -0.000) 17.404 11.030 ( 18.136 6.798 0.000) 19.368 11.191 ( -0.061 -9.146 0.000) 9.146 11.734 ( -1.724 -7.346 0.000) 7.546 11.780 ( 5.593 0.683 0.000) 5.634 12.126 ( 1.458 -0.877 0.000) 1.702 12.191 ( 2.681 -4.333 0.000) 5.095 15.241 ( -6.701 20.284 -0.000) 21.362 15.322 ( -16.273 2.875 -0.000) 16.525 18.866 ( -14.937 7.210 -0.000) 16.586 19.147 ( 5.759 8.534 -0.000) 10.296 20.068 ( -9.099 2.420 -0.000) 9.416 20.197 ( 1.191 2.850 -0.000) 3.089 20.960 ( -7.986 -19.667 0.000) 21.226 21.215 ( 26.883 -3.213 0.000) 27.074 21.976 ( -0.282 1.126 -0.000) 1.161 22.054 ( 2.490 -3.133 0.000) 4.002 ======================= Grid point 425 (130/131) ======================= q-point: (-0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 1.366 -1.425 0.000) 1.974 2.173 ( -1.250 -6.413 0.000) 6.534 2.709 ( 0.159 -2.961 0.000) 2.965 2.719 ( 0.100 -4.025 0.000) 4.027 4.032 ( -0.182 0.322 -0.000) 0.370 4.075 ( 2.211 2.218 -0.000) 3.132 4.291 ( -5.168 -4.516 -0.000) 6.863 4.483 ( 3.444 -17.788 0.000) 18.118 4.979 ( -5.348 4.393 -0.000) 6.921 5.043 ( 5.875 -0.946 0.000) 5.950 5.376 ( -3.366 -4.589 0.000) 5.691 5.423 ( 2.679 -7.919 0.000) 8.360 6.755 ( -2.295 3.177 -0.000) 3.919 6.790 ( 1.715 -0.351 0.000) 1.751 7.815 ( 4.623 0.019 0.000) 4.624 7.836 ( -4.577 -1.424 -0.000) 4.793 8.912 ( 0.237 1.993 -0.000) 2.008 8.932 ( -0.019 0.034 -0.000) 0.039 10.061 ( -7.959 20.348 -0.000) 21.849 10.233 ( 14.539 13.161 0.000) 19.611 10.919 ( -11.871 -5.925 -0.000) 13.268 11.148 ( 4.473 -18.206 0.000) 18.747 11.705 ( 2.300 3.564 -0.000) 4.242 11.770 ( -1.602 -3.975 0.000) 4.286 12.131 ( -1.811 -1.672 -0.000) 2.465 12.138 ( 2.127 -2.928 0.000) 3.619 15.329 ( -2.157 18.346 -0.000) 18.473 15.470 ( 2.118 4.875 -0.000) 5.315 19.014 ( 7.621 13.753 -0.000) 15.724 19.144 ( -10.137 4.061 -0.000) 10.921 20.142 ( 4.519 6.420 -0.000) 7.851 20.196 ( -3.362 1.361 -0.000) 3.627 20.828 ( 8.464 -1.577 0.000) 8.610 21.111 ( -7.097 -26.228 0.000) 27.172 22.000 ( -2.151 -0.634 -0.000) 2.243 22.008 ( 2.098 -1.398 0.000) 2.521 ======================= Grid point 476 (131/131) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -0.000 0.000 0.000) 0.000 2.106 ( -0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 -0.000 0.000) 0.000 4.097 ( -0.000 -0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 5.034 ( -0.000 -0.000 0.000) 0.000 5.034 ( 0.000 -0.000 0.000) 0.000 5.334 ( -0.000 -0.000 0.000) 0.000 5.334 ( 0.000 -0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.787 ( -0.000 0.000 0.000) 0.000 7.815 ( -0.000 -0.000 0.000) 0.000 7.815 ( -0.000 0.000 0.000) 0.000 8.932 ( -0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 10.372 ( -0.000 0.000 0.000) 0.000 10.372 ( -0.000 0.000 0.000) 0.000 10.850 ( -0.000 -0.000 0.000) 0.000 10.850 ( 0.000 -0.000 0.000) 0.000 11.742 ( 0.000 -0.000 0.000) 0.000 11.742 ( -0.000 0.000 0.000) 0.000 12.111 ( -0.000 -0.000 0.000) 0.000 12.111 ( 0.000 -0.000 0.000) 0.000 15.518 ( 0.000 -0.000 0.000) 0.000 15.518 ( -0.000 -0.000 0.000) 0.000 19.186 ( 0.000 0.000 0.000) 0.000 19.186 ( -0.000 -0.000 0.000) 0.000 20.213 ( 0.000 -0.000 0.000) 0.000 20.213 ( -0.000 -0.000 0.000) 0.000 20.806 ( 0.000 0.000 0.000) 0.000 20.806 ( -0.000 0.000 0.000) 0.000 21.993 ( -0.000 0.000 0.000) 0.000 21.993 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 4487.943 4487.943 3932.471 -0.000 -0.000 -0.000 3/28800 20.0 1252.361 1252.361 1116.980 -0.000 -0.000 -0.000 3/28800 30.0 446.645 446.645 385.963 -0.000 -0.000 -0.000 3/28800 40.0 212.944 212.944 180.279 -0.000 -0.000 -0.000 3/28800 50.0 124.442 124.442 104.193 -0.000 -0.000 -0.000 3/28800 60.0 83.124 83.124 69.319 -0.000 -0.000 -0.000 3/28800 70.0 60.712 60.712 50.597 -0.000 -0.000 -0.000 3/28800 80.0 47.173 47.173 39.337 -0.000 -0.000 -0.000 3/28800 90.0 38.317 38.317 31.981 -0.000 -0.000 -0.000 3/28800 100.0 32.164 32.164 26.868 -0.000 -0.000 -0.000 3/28800 110.0 27.683 27.683 23.140 -0.000 -0.000 -0.000 3/28800 120.0 24.292 24.292 20.316 -0.000 -0.000 -0.000 3/28800 130.0 21.647 21.647 18.110 -0.000 -0.000 -0.000 3/28800 140.0 19.530 19.530 16.342 -0.000 -0.000 -0.000 3/28800 150.0 17.800 17.800 14.896 -0.000 -0.000 -0.000 3/28800 160.0 16.359 16.359 13.691 -0.000 -0.000 -0.000 3/28800 170.0 15.142 15.142 12.672 -0.000 -0.000 -0.000 3/28800 180.0 14.100 14.100 11.799 -0.000 -0.000 -0.000 3/28800 190.0 13.198 13.198 11.043 -0.000 -0.000 -0.000 3/28800 200.0 12.408 12.408 10.381 -0.000 -0.000 -0.000 3/28800 210.0 11.712 11.712 9.797 -0.000 -0.000 -0.000 3/28800 220.0 11.092 11.092 9.278 -0.000 -0.000 -0.000 3/28800 230.0 10.538 10.538 8.813 -0.000 -0.000 -0.000 3/28800 240.0 10.039 10.039 8.394 -0.000 -0.000 -0.000 3/28800 250.0 9.586 9.586 8.015 -0.000 -0.000 -0.000 3/28800 260.0 9.174 9.174 7.669 -0.000 -0.000 -0.000 3/28800 270.0 8.798 8.798 7.354 -0.000 -0.000 -0.000 3/28800 280.0 8.452 8.452 7.064 -0.000 -0.000 -0.000 3/28800 290.0 8.134 8.134 6.797 -0.000 -0.000 -0.000 3/28800 300.0 7.839 7.839 6.550 -0.000 -0.000 -0.000 3/28800 310.0 7.566 7.566 6.321 -0.000 -0.000 -0.000 3/28800 320.0 7.312 7.312 6.108 -0.000 -0.000 -0.000 3/28800 330.0 7.075 7.075 5.909 -0.000 -0.000 -0.000 3/28800 340.0 6.853 6.853 5.724 -0.000 -0.000 -0.000 3/28800 350.0 6.645 6.645 5.549 -0.000 -0.000 -0.000 3/28800 360.0 6.450 6.450 5.386 -0.000 -0.000 -0.000 3/28800 370.0 6.266 6.266 5.232 -0.000 -0.000 -0.000 3/28800 380.0 6.093 6.093 5.087 -0.000 -0.000 -0.000 3/28800 390.0 5.929 5.929 4.950 -0.000 -0.000 -0.000 3/28800 400.0 5.774 5.774 4.820 -0.000 -0.000 -0.000 3/28800 410.0 5.627 5.627 4.697 -0.000 -0.000 -0.000 3/28800 420.0 5.488 5.488 4.580 -0.000 -0.000 -0.000 3/28800 430.0 5.355 5.355 4.470 -0.000 -0.000 -0.000 3/28800 440.0 5.229 5.229 4.364 -0.000 -0.000 -0.000 3/28800 450.0 5.109 5.109 4.263 -0.000 -0.000 -0.000 3/28800 460.0 4.994 4.994 4.167 -0.000 -0.000 -0.000 3/28800 470.0 4.884 4.884 4.076 -0.000 -0.000 -0.000 3/28800 480.0 4.779 4.779 3.988 -0.000 -0.000 -0.000 3/28800 490.0 4.679 4.679 3.904 -0.000 -0.000 -0.000 3/28800 500.0 4.583 4.583 3.824 -0.000 -0.000 -0.000 3/28800 510.0 4.491 4.491 3.747 -0.000 -0.000 -0.000 3/28800 520.0 4.402 4.402 3.673 -0.000 -0.000 -0.000 3/28800 530.0 4.317 4.317 3.602 -0.000 -0.000 -0.000 3/28800 540.0 4.235 4.235 3.533 -0.000 -0.000 -0.000 3/28800 550.0 4.157 4.157 3.468 -0.000 -0.000 -0.000 3/28800 560.0 4.081 4.081 3.404 -0.000 -0.000 -0.000 3/28800 570.0 4.008 4.008 3.343 -0.000 -0.000 -0.000 3/28800 580.0 3.937 3.937 3.284 -0.000 -0.000 -0.000 3/28800 590.0 3.869 3.869 3.228 -0.000 -0.000 -0.000 3/28800 600.0 3.804 3.804 3.173 -0.000 -0.000 -0.000 3/28800 610.0 3.740 3.740 3.120 -0.000 -0.000 -0.000 3/28800 620.0 3.679 3.679 3.069 -0.000 -0.000 -0.000 3/28800 630.0 3.620 3.620 3.019 -0.000 -0.000 -0.000 3/28800 640.0 3.562 3.562 2.971 -0.000 -0.000 -0.000 3/28800 650.0 3.507 3.507 2.925 -0.000 -0.000 -0.000 3/28800 660.0 3.453 3.453 2.880 -0.000 -0.000 -0.000 3/28800 670.0 3.400 3.400 2.836 -0.000 -0.000 -0.000 3/28800 680.0 3.350 3.350 2.794 -0.000 -0.000 -0.000 3/28800 690.0 3.301 3.301 2.753 -0.000 -0.000 -0.000 3/28800 700.0 3.253 3.253 2.713 -0.000 -0.000 -0.000 3/28800 710.0 3.206 3.206 2.674 -0.000 -0.000 -0.000 3/28800 720.0 3.161 3.161 2.636 -0.000 -0.000 -0.000 3/28800 730.0 3.118 3.118 2.600 -0.000 -0.000 -0.000 3/28800 740.0 3.075 3.075 2.564 -0.000 -0.000 -0.000 3/28800 750.0 3.034 3.034 2.530 -0.000 -0.000 -0.000 3/28800 760.0 2.993 2.993 2.496 -0.000 -0.000 -0.000 3/28800 770.0 2.954 2.954 2.463 -0.000 -0.000 -0.000 3/28800 780.0 2.916 2.916 2.431 -0.000 -0.000 -0.000 3/28800 790.0 2.878 2.878 2.400 -0.000 -0.000 -0.000 3/28800 800.0 2.842 2.842 2.370 -0.000 -0.000 -0.000 3/28800 810.0 2.807 2.807 2.340 -0.000 -0.000 -0.000 3/28800 820.0 2.772 2.772 2.312 -0.000 -0.000 -0.000 3/28800 830.0 2.739 2.739 2.283 -0.000 -0.000 -0.000 3/28800 840.0 2.706 2.706 2.256 -0.000 -0.000 -0.000 3/28800 850.0 2.674 2.674 2.229 -0.000 -0.000 -0.000 3/28800 860.0 2.642 2.642 2.203 -0.000 -0.000 -0.000 3/28800 870.0 2.612 2.612 2.178 -0.000 -0.000 -0.000 3/28800 880.0 2.582 2.582 2.153 -0.000 -0.000 -0.000 3/28800 890.0 2.553 2.553 2.128 -0.000 -0.000 -0.000 3/28800 900.0 2.524 2.524 2.104 -0.000 -0.000 -0.000 3/28800 910.0 2.496 2.496 2.081 -0.000 -0.000 -0.000 3/28800 920.0 2.469 2.469 2.058 -0.000 -0.000 -0.000 3/28800 930.0 2.442 2.442 2.036 -0.000 -0.000 -0.000 3/28800 940.0 2.416 2.416 2.014 -0.000 -0.000 -0.000 3/28800 950.0 2.390 2.390 1.993 -0.000 -0.000 -0.000 3/28800 960.0 2.365 2.365 1.972 -0.000 -0.000 -0.000 3/28800 970.0 2.341 2.341 1.952 -0.000 -0.000 -0.000 3/28800 980.0 2.317 2.317 1.932 -0.000 -0.000 -0.000 3/28800 990.0 2.293 2.293 1.912 -0.000 -0.000 -0.000 3/28800 1000.0 2.270 2.270 1.893 -0.000 -0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m21040.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:33:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|