----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:53:19]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.848352108961391 1.067146587666069 10.595048136666655 b -1.848352108961387 1.067146587666069 10.595048136666655 c 0.000000000000002 -2.134293175332142 10.595048136666655 Atomic positions (fractional): *1 Zr 0.79342087625691 0.79342087625691 0.79342087625691 91.224 2 Zr 0.20657912374309 0.20657912374309 0.20657912374309 91.224 *3 I 0.39127301843014 0.39127301843014 0.39127301843014 126.904 4 I 0.60872698156986 0.60872698156986 0.60872698156986 126.904 *5 N 0.13920867827641 0.13920867827641 0.13920867827641 14.007 6 N 0.86079132172359 0.86079132172359 0.86079132172359 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.696704217922778 0.000000000000000 0.000000000000000 b -1.848352108961389 3.201439762998211 0.000000000000000 c 0.000000000000000 0.000000000000000 31.785144409999997 Atomic positions (fractional): *1 Zr 0.66666666666667 0.33333333333333 0.12675420959024 91.224 > 1 2 Zr 0.00000000000000 0.00000000000000 0.20657912374309 91.224 > 2 3 Zr 0.33333333333333 0.66666666666667 0.46008754292357 91.224 > 1 4 Zr 0.66666666666667 0.33333333333333 0.53991245707643 91.224 > 2 5 Zr 0.00000000000000 0.00000000000000 0.79342087625691 91.224 > 1 6 Zr 0.33333333333333 0.66666666666667 0.87324579040976 91.224 > 2 *7 I 0.33333333333333 0.66666666666667 0.05793968509681 126.904 > 3 8 I 0.33333333333333 0.66666666666667 0.27539364823653 126.904 > 4 9 I 0.00000000000000 0.00000000000000 0.39127301843014 126.904 > 3 10 I 0.00000000000000 0.00000000000000 0.60872698156986 126.904 > 4 11 I 0.66666666666667 0.33333333333333 0.72460635176347 126.904 > 3 12 I 0.66666666666667 0.33333333333333 0.94206031490319 126.904 > 4 *13 N 0.00000000000000 0.00000000000000 0.13920867827641 14.007 > 5 14 N 0.66666666666667 0.33333333333333 0.19412465505692 14.007 > 6 15 N 0.66666666666667 0.33333333333333 0.47254201160975 14.007 > 5 16 N 0.33333333333333 0.66666666666667 0.52745798839026 14.007 > 6 17 N 0.33333333333333 0.66666666666667 0.80587534494308 14.007 > 5 18 N 0.00000000000000 0.00000000000000 0.86079132172359 14.007 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.393408435845556 0.000000000000000 0.000000000000000 b -3.696704217922778 6.402879525996422 0.000000000000000 c 0.000000000000000 0.000000000000000 31.785144409999997 Atomic positions (fractional): *1 Zr 0.33333333333333 0.16666666666667 0.12675420959024 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.12675420959024 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.12675420959024 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.12675420959024 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.20657912374309 91.224 > 2 6 Zr 0.50000000000000 0.00000000000000 0.20657912374309 91.224 > 2 7 Zr 0.00000000000000 0.50000000000000 0.20657912374309 91.224 > 2 8 Zr 0.50000000000000 0.50000000000000 0.20657912374309 91.224 > 2 9 Zr 0.16666666666667 0.33333333333333 0.46008754292357 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.46008754292357 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.46008754292357 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.46008754292357 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.53991245707643 91.224 > 2 14 Zr 0.83333333333333 0.16666666666667 0.53991245707643 91.224 > 2 15 Zr 0.33333333333333 0.66666666666667 0.53991245707643 91.224 > 2 16 Zr 0.83333333333333 0.66666666666667 0.53991245707643 91.224 > 2 17 Zr 0.00000000000000 0.00000000000000 0.79342087625691 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.79342087625691 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.79342087625691 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.79342087625691 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.87324579040976 91.224 > 2 22 Zr 0.66666666666667 0.33333333333333 0.87324579040976 91.224 > 2 23 Zr 0.16666666666667 0.83333333333333 0.87324579040976 91.224 > 2 24 Zr 0.66666666666667 0.83333333333333 0.87324579040976 91.224 > 2 *25 I 0.16666666666667 0.33333333333333 0.05793968509681 126.904 > 3 26 I 0.66666666666667 0.33333333333333 0.05793968509681 126.904 > 3 27 I 0.16666666666667 0.83333333333333 0.05793968509681 126.904 > 3 28 I 0.66666666666667 0.83333333333333 0.05793968509681 126.904 > 3 29 I 0.16666666666667 0.33333333333333 0.27539364823653 126.904 > 4 30 I 0.66666666666667 0.33333333333333 0.27539364823653 126.904 > 4 31 I 0.16666666666667 0.83333333333333 0.27539364823653 126.904 > 4 32 I 0.66666666666667 0.83333333333333 0.27539364823653 126.904 > 4 33 I 0.00000000000000 0.00000000000000 0.39127301843014 126.904 > 3 34 I 0.50000000000000 0.00000000000000 0.39127301843014 126.904 > 3 35 I 0.00000000000000 0.50000000000000 0.39127301843014 126.904 > 3 36 I 0.50000000000000 0.50000000000000 0.39127301843014 126.904 > 3 37 I 0.00000000000000 0.00000000000000 0.60872698156986 126.904 > 4 38 I 0.50000000000000 0.00000000000000 0.60872698156986 126.904 > 4 39 I 0.00000000000000 0.50000000000000 0.60872698156986 126.904 > 4 40 I 0.50000000000000 0.50000000000000 0.60872698156986 126.904 > 4 41 I 0.33333333333333 0.16666666666667 0.72460635176347 126.904 > 3 42 I 0.83333333333333 0.16666666666667 0.72460635176347 126.904 > 3 43 I 0.33333333333333 0.66666666666667 0.72460635176347 126.904 > 3 44 I 0.83333333333333 0.66666666666667 0.72460635176347 126.904 > 3 45 I 0.33333333333333 0.16666666666667 0.94206031490319 126.904 > 4 46 I 0.83333333333333 0.16666666666667 0.94206031490319 126.904 > 4 47 I 0.33333333333333 0.66666666666667 0.94206031490319 126.904 > 4 48 I 0.83333333333333 0.66666666666667 0.94206031490319 126.904 > 4 *49 N 0.00000000000000 0.00000000000000 0.13920867827641 14.007 > 5 50 N 0.50000000000000 0.00000000000000 0.13920867827641 14.007 > 5 51 N 0.00000000000000 0.50000000000000 0.13920867827641 14.007 > 5 52 N 0.50000000000000 0.50000000000000 0.13920867827641 14.007 > 5 53 N 0.33333333333333 0.16666666666667 0.19412465505692 14.007 > 6 54 N 0.83333333333333 0.16666666666667 0.19412465505692 14.007 > 6 55 N 0.33333333333333 0.66666666666667 0.19412465505692 14.007 > 6 56 N 0.83333333333333 0.66666666666667 0.19412465505692 14.007 > 6 57 N 0.33333333333333 0.16666666666667 0.47254201160975 14.007 > 5 58 N 0.83333333333333 0.16666666666667 0.47254201160975 14.007 > 5 59 N 0.33333333333333 0.66666666666667 0.47254201160975 14.007 > 5 60 N 0.83333333333333 0.66666666666667 0.47254201160975 14.007 > 5 61 N 0.16666666666667 0.33333333333333 0.52745798839026 14.007 > 6 62 N 0.66666666666667 0.33333333333333 0.52745798839026 14.007 > 6 63 N 0.16666666666667 0.83333333333333 0.52745798839026 14.007 > 6 64 N 0.66666666666667 0.83333333333333 0.52745798839026 14.007 > 6 65 N 0.16666666666667 0.33333333333333 0.80587534494308 14.007 > 5 66 N 0.66666666666667 0.33333333333333 0.80587534494308 14.007 > 5 67 N 0.16666666666667 0.83333333333333 0.80587534494308 14.007 > 5 68 N 0.66666666666667 0.83333333333333 0.80587534494308 14.007 > 5 69 N 0.00000000000000 0.00000000000000 0.86079132172359 14.007 > 6 70 N 0.50000000000000 0.00000000000000 0.86079132172359 14.007 > 6 71 N 0.00000000000000 0.50000000000000 0.86079132172359 14.007 > 6 72 N 0.50000000000000 0.50000000000000 0.86079132172359 14.007 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2390269 -0.0000000 0.0000000 0.0000000 8.2390269 0.0000000 0.0000000 0.0000000 5.9759512 -------------------------- Born effective charges -------------------------- 1 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 2 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 3 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 4 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 5 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 6 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.082 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.086 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:53:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:53:22]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.848352108961391 1.067146587666069 10.595048136666655 b -1.848352108961387 1.067146587666069 10.595048136666655 c 0.000000000000002 -2.134293175332142 10.595048136666655 Atomic positions (fractional): 1 Zr 0.79342087625691 0.79342087625691 0.79342087625691 91.224 2 Zr 0.20657912374309 0.20657912374309 0.20657912374309 91.224 3 I 0.39127301843014 0.39127301843014 0.39127301843014 126.904 4 I 0.60872698156986 0.60872698156986 0.60872698156986 126.904 5 N 0.13920867827641 0.13920867827641 0.13920867827641 14.007 6 N 0.86079132172359 0.86079132172359 0.86079132172359 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.393408435845556 0.000000000000000 0.000000000000000 b -3.696704217922778 6.402879525996422 0.000000000000000 c 0.000000000000000 0.000000000000000 31.785144409999997 Atomic positions (fractional): 1 Zr 0.33333333333333 0.16666666666667 0.12675420959024 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.12675420959024 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.12675420959024 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.12675420959024 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.20657912374309 91.224 > 5 6 Zr 0.50000000000000 0.00000000000000 0.20657912374309 91.224 > 5 7 Zr 0.00000000000000 0.50000000000000 0.20657912374309 91.224 > 5 8 Zr 0.50000000000000 0.50000000000000 0.20657912374309 91.224 > 5 9 Zr 0.16666666666667 0.33333333333333 0.46008754292357 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.46008754292357 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.46008754292357 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.46008754292357 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.53991245707643 91.224 > 5 14 Zr 0.83333333333333 0.16666666666667 0.53991245707643 91.224 > 5 15 Zr 0.33333333333333 0.66666666666667 0.53991245707643 91.224 > 5 16 Zr 0.83333333333333 0.66666666666667 0.53991245707643 91.224 > 5 17 Zr 0.00000000000000 0.00000000000000 0.79342087625691 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.79342087625691 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.79342087625691 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.79342087625691 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.87324579040976 91.224 > 5 22 Zr 0.66666666666667 0.33333333333333 0.87324579040976 91.224 > 5 23 Zr 0.16666666666667 0.83333333333333 0.87324579040976 91.224 > 5 24 Zr 0.66666666666667 0.83333333333333 0.87324579040976 91.224 > 5 25 I 0.16666666666667 0.33333333333333 0.05793968509681 126.904 > 25 26 I 0.66666666666667 0.33333333333333 0.05793968509681 126.904 > 25 27 I 0.16666666666667 0.83333333333333 0.05793968509681 126.904 > 25 28 I 0.66666666666667 0.83333333333333 0.05793968509681 126.904 > 25 29 I 0.16666666666667 0.33333333333333 0.27539364823653 126.904 > 29 30 I 0.66666666666667 0.33333333333333 0.27539364823653 126.904 > 29 31 I 0.16666666666667 0.83333333333333 0.27539364823653 126.904 > 29 32 I 0.66666666666667 0.83333333333333 0.27539364823653 126.904 > 29 33 I 0.00000000000000 0.00000000000000 0.39127301843014 126.904 > 25 34 I 0.50000000000000 0.00000000000000 0.39127301843014 126.904 > 25 35 I 0.00000000000000 0.50000000000000 0.39127301843014 126.904 > 25 36 I 0.50000000000000 0.50000000000000 0.39127301843014 126.904 > 25 37 I 0.00000000000000 0.00000000000000 0.60872698156986 126.904 > 29 38 I 0.50000000000000 0.00000000000000 0.60872698156986 126.904 > 29 39 I 0.00000000000000 0.50000000000000 0.60872698156986 126.904 > 29 40 I 0.50000000000000 0.50000000000000 0.60872698156986 126.904 > 29 41 I 0.33333333333333 0.16666666666667 0.72460635176347 126.904 > 25 42 I 0.83333333333333 0.16666666666667 0.72460635176347 126.904 > 25 43 I 0.33333333333333 0.66666666666667 0.72460635176347 126.904 > 25 44 I 0.83333333333333 0.66666666666667 0.72460635176347 126.904 > 25 45 I 0.33333333333333 0.16666666666667 0.94206031490319 126.904 > 29 46 I 0.83333333333333 0.16666666666667 0.94206031490319 126.904 > 29 47 I 0.33333333333333 0.66666666666667 0.94206031490319 126.904 > 29 48 I 0.83333333333333 0.66666666666667 0.94206031490319 126.904 > 29 49 N 0.00000000000000 0.00000000000000 0.13920867827641 14.007 > 49 50 N 0.50000000000000 0.00000000000000 0.13920867827641 14.007 > 49 51 N 0.00000000000000 0.50000000000000 0.13920867827641 14.007 > 49 52 N 0.50000000000000 0.50000000000000 0.13920867827641 14.007 > 49 53 N 0.33333333333333 0.16666666666667 0.19412465505692 14.007 > 53 54 N 0.83333333333333 0.16666666666667 0.19412465505692 14.007 > 53 55 N 0.33333333333333 0.66666666666667 0.19412465505692 14.007 > 53 56 N 0.83333333333333 0.66666666666667 0.19412465505692 14.007 > 53 57 N 0.33333333333333 0.16666666666667 0.47254201160975 14.007 > 49 58 N 0.83333333333333 0.16666666666667 0.47254201160975 14.007 > 49 59 N 0.33333333333333 0.66666666666667 0.47254201160975 14.007 > 49 60 N 0.83333333333333 0.66666666666667 0.47254201160975 14.007 > 49 61 N 0.16666666666667 0.33333333333333 0.52745798839026 14.007 > 53 62 N 0.66666666666667 0.33333333333333 0.52745798839026 14.007 > 53 63 N 0.16666666666667 0.83333333333333 0.52745798839026 14.007 > 53 64 N 0.66666666666667 0.83333333333333 0.52745798839026 14.007 > 53 65 N 0.16666666666667 0.33333333333333 0.80587534494308 14.007 > 49 66 N 0.66666666666667 0.33333333333333 0.80587534494308 14.007 > 49 67 N 0.16666666666667 0.83333333333333 0.80587534494308 14.007 > 49 68 N 0.66666666666667 0.83333333333333 0.80587534494308 14.007 > 49 69 N 0.00000000000000 0.00000000000000 0.86079132172359 14.007 > 53 70 N 0.50000000000000 0.00000000000000 0.86079132172359 14.007 > 53 71 N 0.00000000000000 0.50000000000000 0.86079132172359 14.007 > 53 72 N 0.50000000000000 0.50000000000000 0.86079132172359 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2390269 -0.0000000 0.0000000 0.0000000 8.2390269 0.0000000 0.0000000 0.0000000 5.9759512 -------------------------- Born effective charges -------------------------- 1 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 2 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 3 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 4 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 5 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 6 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000026 (yzy) -0.00000026 (yzy) -0.00000026 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:53:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:53:25]------------------------- 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.848352108961391 1.067146587666069 10.595048136666655 b -1.848352108961387 1.067146587666069 10.595048136666655 c 0.000000000000002 -2.134293175332142 10.595048136666655 Atomic positions (fractional): 1 Zr 0.79342087625691 0.79342087625691 0.79342087625691 91.224 2 Zr 0.20657912374309 0.20657912374309 0.20657912374309 91.224 3 I 0.39127301843014 0.39127301843014 0.39127301843014 126.904 4 I 0.60872698156986 0.60872698156986 0.60872698156986 126.904 5 N 0.13920867827641 0.13920867827641 0.13920867827641 14.007 6 N 0.86079132172359 0.86079132172359 0.86079132172359 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.393408435845556 0.000000000000000 0.000000000000000 b -3.696704217922778 6.402879525996422 0.000000000000000 c 0.000000000000000 0.000000000000000 31.785144409999997 Atomic positions (fractional): 1 Zr 0.33333333333333 0.16666666666667 0.12675420959024 91.224 > 1 2 Zr 0.83333333333333 0.16666666666667 0.12675420959024 91.224 > 1 3 Zr 0.33333333333333 0.66666666666667 0.12675420959024 91.224 > 1 4 Zr 0.83333333333333 0.66666666666667 0.12675420959024 91.224 > 1 5 Zr 0.00000000000000 0.00000000000000 0.20657912374309 91.224 > 5 6 Zr 0.50000000000000 0.00000000000000 0.20657912374309 91.224 > 5 7 Zr 0.00000000000000 0.50000000000000 0.20657912374309 91.224 > 5 8 Zr 0.50000000000000 0.50000000000000 0.20657912374309 91.224 > 5 9 Zr 0.16666666666667 0.33333333333333 0.46008754292357 91.224 > 1 10 Zr 0.66666666666667 0.33333333333333 0.46008754292357 91.224 > 1 11 Zr 0.16666666666667 0.83333333333333 0.46008754292357 91.224 > 1 12 Zr 0.66666666666667 0.83333333333333 0.46008754292357 91.224 > 1 13 Zr 0.33333333333333 0.16666666666667 0.53991245707643 91.224 > 5 14 Zr 0.83333333333333 0.16666666666667 0.53991245707643 91.224 > 5 15 Zr 0.33333333333333 0.66666666666667 0.53991245707643 91.224 > 5 16 Zr 0.83333333333333 0.66666666666667 0.53991245707643 91.224 > 5 17 Zr 0.00000000000000 0.00000000000000 0.79342087625691 91.224 > 1 18 Zr 0.50000000000000 0.00000000000000 0.79342087625691 91.224 > 1 19 Zr 0.00000000000000 0.50000000000000 0.79342087625691 91.224 > 1 20 Zr 0.50000000000000 0.50000000000000 0.79342087625691 91.224 > 1 21 Zr 0.16666666666667 0.33333333333333 0.87324579040976 91.224 > 5 22 Zr 0.66666666666667 0.33333333333333 0.87324579040976 91.224 > 5 23 Zr 0.16666666666667 0.83333333333333 0.87324579040976 91.224 > 5 24 Zr 0.66666666666667 0.83333333333333 0.87324579040976 91.224 > 5 25 I 0.16666666666667 0.33333333333333 0.05793968509681 126.904 > 25 26 I 0.66666666666667 0.33333333333333 0.05793968509681 126.904 > 25 27 I 0.16666666666667 0.83333333333333 0.05793968509681 126.904 > 25 28 I 0.66666666666667 0.83333333333333 0.05793968509681 126.904 > 25 29 I 0.16666666666667 0.33333333333333 0.27539364823653 126.904 > 29 30 I 0.66666666666667 0.33333333333333 0.27539364823653 126.904 > 29 31 I 0.16666666666667 0.83333333333333 0.27539364823653 126.904 > 29 32 I 0.66666666666667 0.83333333333333 0.27539364823653 126.904 > 29 33 I 0.00000000000000 0.00000000000000 0.39127301843014 126.904 > 25 34 I 0.50000000000000 0.00000000000000 0.39127301843014 126.904 > 25 35 I 0.00000000000000 0.50000000000000 0.39127301843014 126.904 > 25 36 I 0.50000000000000 0.50000000000000 0.39127301843014 126.904 > 25 37 I 0.00000000000000 0.00000000000000 0.60872698156986 126.904 > 29 38 I 0.50000000000000 0.00000000000000 0.60872698156986 126.904 > 29 39 I 0.00000000000000 0.50000000000000 0.60872698156986 126.904 > 29 40 I 0.50000000000000 0.50000000000000 0.60872698156986 126.904 > 29 41 I 0.33333333333333 0.16666666666667 0.72460635176347 126.904 > 25 42 I 0.83333333333333 0.16666666666667 0.72460635176347 126.904 > 25 43 I 0.33333333333333 0.66666666666667 0.72460635176347 126.904 > 25 44 I 0.83333333333333 0.66666666666667 0.72460635176347 126.904 > 25 45 I 0.33333333333333 0.16666666666667 0.94206031490319 126.904 > 29 46 I 0.83333333333333 0.16666666666667 0.94206031490319 126.904 > 29 47 I 0.33333333333333 0.66666666666667 0.94206031490319 126.904 > 29 48 I 0.83333333333333 0.66666666666667 0.94206031490319 126.904 > 29 49 N 0.00000000000000 0.00000000000000 0.13920867827641 14.007 > 49 50 N 0.50000000000000 0.00000000000000 0.13920867827641 14.007 > 49 51 N 0.00000000000000 0.50000000000000 0.13920867827641 14.007 > 49 52 N 0.50000000000000 0.50000000000000 0.13920867827641 14.007 > 49 53 N 0.33333333333333 0.16666666666667 0.19412465505692 14.007 > 53 54 N 0.83333333333333 0.16666666666667 0.19412465505692 14.007 > 53 55 N 0.33333333333333 0.66666666666667 0.19412465505692 14.007 > 53 56 N 0.83333333333333 0.66666666666667 0.19412465505692 14.007 > 53 57 N 0.33333333333333 0.16666666666667 0.47254201160975 14.007 > 49 58 N 0.83333333333333 0.16666666666667 0.47254201160975 14.007 > 49 59 N 0.33333333333333 0.66666666666667 0.47254201160975 14.007 > 49 60 N 0.83333333333333 0.66666666666667 0.47254201160975 14.007 > 49 61 N 0.16666666666667 0.33333333333333 0.52745798839026 14.007 > 53 62 N 0.66666666666667 0.33333333333333 0.52745798839026 14.007 > 53 63 N 0.16666666666667 0.83333333333333 0.52745798839026 14.007 > 53 64 N 0.66666666666667 0.83333333333333 0.52745798839026 14.007 > 53 65 N 0.16666666666667 0.33333333333333 0.80587534494308 14.007 > 49 66 N 0.66666666666667 0.33333333333333 0.80587534494308 14.007 > 49 67 N 0.16666666666667 0.83333333333333 0.80587534494308 14.007 > 49 68 N 0.66666666666667 0.83333333333333 0.80587534494308 14.007 > 49 69 N 0.00000000000000 0.00000000000000 0.86079132172359 14.007 > 53 70 N 0.50000000000000 0.00000000000000 0.86079132172359 14.007 > 53 71 N 0.00000000000000 0.50000000000000 0.86079132172359 14.007 > 53 72 N 0.50000000000000 0.50000000000000 0.86079132172359 14.007 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2390269 -0.0000000 0.0000000 0.0000000 8.2390269 0.0000000 0.0000000 0.0000000 5.9759512 -------------------------- Born effective charges -------------------------- 1 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 2 Zr 4.9313395 0.0000000 0.0000000 0.0000000 4.9313395 0.0000000 0.0000000 0.0000000 2.8130585 3 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 4 I -0.9951271 0.0000000 0.0000000 0.0000000 -0.9951271 0.0000000 0.0000000 0.0000000 -0.8136304 5 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 6 N -3.9362123 -0.0000000 0.0000000 0.0000000 -3.9362123 0.0000000 0.0000000 0.0000000 -1.9994281 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000026 (yzy) -0.00000026 (yzy) -0.00000026 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 0.83, Number of G-points: 287, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 13.419 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 15.936 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 18.339 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 18.789 10.848 -0.403) 21.699 0.565 ( 24.738 14.282 -0.542) 28.570 0.963 ( 41.311 23.851 0.638) 47.706 1.949 ( 3.255 1.879 0.022) 3.759 2.065 ( 12.348 7.129 -0.116) 14.258 3.059 ( -6.084 -3.513 0.052) 7.026 3.130 ( 2.042 1.179 -0.036) 2.359 3.566 ( 15.904 9.182 -0.944) 18.388 4.843 ( -5.015 -2.896 0.488) 5.812 4.989 ( 3.347 1.932 0.193) 3.869 5.383 ( 19.924 11.503 -0.455) 23.011 8.216 ( -5.984 -3.455 0.426) 6.923 13.338 ( -7.089 -4.093 -0.092) 8.186 15.799 ( -12.033 -6.947 2.127) 14.056 15.933 ( -0.225 -0.130 -0.019) 0.260 16.184 ( -23.514 -13.576 -16.046) 31.539 17.721 ( 33.142 19.134 -38.552) 54.321 18.443 ( 3.400 1.963 34.926) 35.146 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 25.377 14.652 -0.370) 29.305 1.105 ( 23.009 13.284 -0.363) 26.571 1.833 ( 35.038 20.229 0.162) 40.459 2.051 ( 5.545 3.202 0.011) 6.403 2.402 ( 16.366 9.449 0.155) 18.899 2.959 ( -2.841 -1.640 0.161) 3.285 3.199 ( 3.999 2.309 -0.010) 4.618 3.997 ( 22.375 12.918 -0.342) 25.838 4.746 ( -3.686 -2.128 0.058) 4.256 5.096 ( 5.921 3.419 0.282) 6.843 5.926 ( 27.282 15.751 -0.338) 31.504 8.041 ( -9.003 -5.198 0.945) 10.439 13.105 ( -13.316 -7.688 -0.166) 15.377 15.438 ( -19.026 -10.985 3.923) 22.317 15.682 ( -19.397 -11.199 -11.361) 25.114 15.926 ( -0.378 -0.218 -0.039) 0.438 18.236 ( 14.538 8.394 -12.677) 21.036 18.702 ( 15.886 9.172 12.648) 22.281 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 26.268 15.166 -0.233) 30.332 1.592 ( 20.081 11.594 -0.127) 23.188 2.189 ( 6.516 3.762 -0.048) 7.524 2.513 ( 24.488 14.138 -0.662) 28.284 2.768 ( 15.420 8.903 0.661) 17.818 2.935 ( 1.306 0.754 0.364) 1.551 3.309 ( 5.779 3.337 0.119) 6.674 4.542 ( 21.741 12.552 -1.192) 25.132 4.698 ( 3.296 1.903 1.285) 4.016 5.247 ( 7.225 4.171 0.217) 8.346 6.558 ( 27.602 15.936 0.120) 31.873 7.843 ( -8.016 -4.628 1.341) 9.352 12.750 ( -17.871 -10.318 -0.209) 20.637 15.013 ( -18.903 -10.914 4.114) 22.212 15.225 ( -19.796 -11.429 -8.156) 24.270 15.917 ( -0.407 -0.235 -0.055) 0.473 18.397 ( 3.248 1.875 -0.743) 3.823 19.086 ( 14.339 8.278 1.129) 16.595 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 23.689 13.677 -0.157) 27.355 2.001 ( 16.059 9.272 0.111) 18.544 2.336 ( 6.356 3.670 -0.160) 7.341 2.826 ( 4.007 2.313 -0.984) 4.730 3.081 ( 11.857 6.846 0.931) 13.723 3.128 ( 15.450 8.920 0.341) 17.844 3.457 ( 7.182 4.146 0.339) 8.300 4.640 ( 1.209 0.698 -0.678) 1.552 5.194 ( 25.149 14.520 1.504) 29.079 5.412 ( 7.164 4.136 0.025) 8.272 7.103 ( 18.547 10.708 0.871) 21.434 7.745 ( 1.408 0.813 0.772) 1.800 12.317 ( -20.029 -11.564 -0.213) 23.128 14.608 ( -17.599 -10.161 2.866) 20.523 14.762 ( -19.769 -11.413 -5.012) 23.371 15.909 ( -0.310 -0.179 -0.065) 0.364 18.425 ( -0.437 -0.252 1.003) 1.123 19.316 ( 6.166 3.560 -0.848) 7.170 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 11.416 6.591 0.359) 13.187 2.451 ( 17.973 10.377 -0.218) 20.754 2.470 ( 5.448 3.146 -0.359) 6.302 2.872 ( 1.426 0.824 -0.619) 1.760 3.308 ( 8.420 4.861 0.933) 9.767 3.458 ( 12.714 7.340 -0.052) 14.681 3.628 ( 7.690 4.440 0.553) 8.897 4.712 ( 5.349 3.088 -0.108) 6.178 5.562 ( 5.995 3.461 -0.193) 6.925 5.654 ( 13.701 7.910 1.841) 15.928 7.366 ( 7.833 4.522 1.577) 9.181 7.962 ( 15.076 8.704 -0.545) 17.417 11.868 ( -19.233 -11.104 -0.182) 22.209 14.225 ( -16.689 -9.635 -0.871) 19.291 14.339 ( -16.573 -9.568 -0.219) 19.138 15.903 ( -0.150 -0.087 -0.064) 0.185 18.396 ( -2.037 -1.176 0.957) 2.540 19.380 ( 0.250 0.144 -1.095) 1.133 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 6.685 3.859 0.714) 7.752 2.578 ( 4.304 2.485 -0.710) 5.021 2.763 ( 9.528 5.501 -0.123) 11.003 2.902 ( 1.350 0.779 -0.645) 1.687 3.483 ( 7.257 4.190 0.814) 8.419 3.692 ( 8.121 4.689 -0.118) 9.378 3.794 ( 6.635 3.831 0.605) 7.686 4.876 ( 8.880 5.127 0.223) 10.256 5.677 ( 4.164 2.404 -0.308) 4.818 5.792 ( -0.984 -0.568 1.874) 2.192 7.587 ( 11.553 6.670 1.050) 13.382 8.286 ( 12.401 7.160 -0.771) 14.340 11.473 ( -15.262 -8.812 -0.127) 17.624 13.868 ( -14.045 -8.109 -2.325) 16.384 14.027 ( -11.372 -6.566 1.841) 13.260 15.902 ( -0.019 -0.011 -0.052) 0.056 18.347 ( -2.198 -1.269 0.629) 2.615 19.349 ( -2.284 -1.319 -0.895) 2.786 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 2.506 1.447 0.545) 2.945 2.661 ( 2.864 1.654 -0.545) 3.352 2.894 ( 2.911 1.681 0.592) 3.414 2.928 ( 0.954 0.551 -1.038) 1.513 3.631 ( 5.238 3.024 0.427) 6.064 3.825 ( 3.774 2.179 -0.077) 4.359 3.916 ( 3.863 2.230 0.401) 4.479 5.094 ( 9.879 5.704 0.164) 11.409 5.680 ( -7.696 -4.443 1.218) 8.969 5.747 ( 2.091 1.207 -0.232) 2.426 7.835 ( 8.876 5.124 0.548) 10.263 8.495 ( 6.081 3.511 -0.557) 7.044 11.201 ( -8.479 -4.896 -0.063) 9.791 13.611 ( -7.928 -4.578 -1.264) 9.242 13.834 ( -5.950 -3.435 1.106) 6.959 15.902 ( 0.027 0.016 -0.029) 0.042 18.307 ( -1.350 -0.779 0.300) 1.588 19.295 ( -1.962 -1.132 -0.496) 2.319 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 -0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 3.961 ( 0.000 0.000 -0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 -0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 13.519 ( 0.000 0.000 0.000) 0.000 13.767 ( 0.000 0.000 0.000) 0.000 15.902 ( 0.000 0.000 0.000) 0.000 18.291 ( 0.000 0.000 -0.000) 0.000 19.271 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -0.000 21.663 0.793) 21.677 0.571 ( -0.000 28.510 1.438) 28.546 0.961 ( -0.000 47.743 -0.206) 47.743 1.948 ( -0.000 3.723 -0.353) 3.740 2.067 ( -0.000 14.306 0.280) 14.309 3.058 ( 0.000 -6.979 -0.078) 6.979 3.131 ( -0.000 2.377 0.121) 2.380 3.559 ( -0.000 18.518 -3.143) 18.783 4.840 ( 0.000 -5.791 -0.485) 5.811 4.988 ( -0.000 3.806 -0.229) 3.813 5.393 ( 0.000 22.898 3.024) 23.097 8.217 ( 0.000 -6.869 0.960) 6.935 13.339 ( 0.000 -8.153 0.162) 8.155 15.773 ( -0.000 -15.232 -7.804) 17.115 15.933 ( -0.000 -0.257 -0.027) 0.259 16.181 ( -0.000 -21.567 -16.062) 26.891 17.686 ( -0.000 49.845 -45.181) 67.274 18.457 ( 0.000 -6.665 35.851) 36.465 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 13.643 24.140 0.438) 27.732 0.999 ( 14.118 25.283 0.505) 28.962 1.602 ( 21.212 36.419 0.077) 42.146 2.021 ( 3.203 5.327 -0.325) 6.225 2.303 ( 8.987 15.779 0.429) 18.163 2.976 ( -2.233 -3.894 0.146) 4.492 3.187 ( 2.550 4.528 0.119) 5.197 3.851 ( 11.759 19.610 -1.945) 22.948 4.761 ( -2.294 -4.370 -0.466) 4.957 5.080 ( 3.946 6.432 -0.160) 7.548 5.761 ( 13.911 25.464 1.465) 29.053 8.098 ( -4.986 -8.485 1.621) 9.974 13.196 ( -6.129 -10.427 0.064) 12.095 15.582 ( -0.785 -22.907 -10.602) 25.254 15.659 ( -19.636 -11.845 1.106) 22.958 16.006 ( -2.902 -3.430 -1.631) 4.780 18.208 ( 11.169 35.535 -19.729) 42.151 18.534 ( 9.402 -1.925 15.716) 18.415 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 20.423 22.381 0.277) 30.300 1.478 ( 14.308 22.366 0.177) 26.551 2.148 ( 4.813 6.641 -0.255) 8.206 2.281 ( 22.382 23.770 -0.466) 32.653 2.635 ( 12.300 13.403 0.854) 18.212 2.927 ( -0.325 -1.082 0.231) 1.154 3.302 ( 3.524 8.264 0.161) 8.986 4.310 ( 19.941 18.761 -1.014) 27.399 4.688 ( -1.463 -3.203 -0.349) 3.539 5.232 ( 4.547 9.666 -0.019) 10.682 6.316 ( 21.788 23.112 0.718) 31.771 7.913 ( -6.923 -8.046 2.264) 10.853 12.932 ( -13.127 -9.901 -0.054) 16.442 15.196 ( -16.846 -16.860 1.892) 23.909 15.260 ( -9.500 -21.933 -7.469) 25.042 15.953 ( -2.137 0.890 0.089) 2.317 18.474 ( -2.831 14.563 -2.635) 15.068 18.859 ( 19.627 5.542 1.265) 20.433 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 21.359 19.334 0.290) 28.811 1.904 ( 12.115 18.586 0.209) 22.187 2.299 ( 4.821 7.346 -0.294) 8.791 2.747 ( 10.281 7.977 -1.482) 13.097 2.958 ( 11.680 9.565 1.424) 15.164 2.996 ( 9.044 7.213 0.452) 11.577 3.464 ( 3.407 12.501 0.307) 12.961 4.626 ( 0.526 -0.115 -1.376) 1.477 4.881 ( 23.900 12.334 1.084) 26.916 5.422 ( 4.871 13.524 -0.091) 14.375 6.897 ( 21.200 17.929 0.640) 27.773 7.749 ( -3.817 -5.447 2.311) 7.041 12.570 ( -19.009 -7.795 -0.133) 20.546 14.768 ( -15.499 -15.802 3.109) 22.352 14.840 ( -12.037 -22.862 -6.193) 26.569 15.942 ( -1.304 2.393 0.160) 2.730 18.503 ( -4.928 6.918 0.262) 8.498 19.167 ( 12.603 0.321 -0.780) 12.631 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 9.762 14.004 0.115) 17.071 2.259 ( 17.675 15.261 0.486) 23.357 2.446 ( 3.955 7.621 -0.410) 8.596 2.846 ( 2.104 0.566 -0.994) 2.395 3.210 ( 9.188 5.728 1.215) 10.895 3.312 ( 13.401 9.239 -0.024) 16.277 3.655 ( 2.445 16.017 0.516) 16.211 4.658 ( 3.527 1.518 -0.631) 3.891 5.325 ( 17.423 1.620 1.078) 17.532 5.680 ( 6.573 19.216 0.143) 20.310 7.296 ( 8.493 8.488 1.573) 12.110 7.780 ( 11.642 2.289 0.692) 11.886 12.155 ( -22.173 -4.670 -0.169) 22.660 14.361 ( -14.868 -16.605 -2.417) 22.420 14.419 ( -10.757 -20.033 0.704) 22.749 15.953 ( -1.593 4.749 0.076) 5.010 18.458 ( -5.381 2.047 0.569) 5.785 19.296 ( 6.177 -5.090 -0.933) 8.058 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 5.395 10.694 0.486) 11.987 2.566 ( 3.003 6.995 -0.463) 7.626 2.647 ( 11.727 9.090 0.126) 14.839 2.879 ( 1.735 0.395 -0.859) 1.976 3.397 ( 7.678 3.808 1.067) 8.637 3.581 ( 9.902 5.155 -0.216) 11.166 3.850 ( 0.666 17.715 0.636) 17.739 4.777 ( 7.474 3.666 -0.162) 8.326 5.527 ( 9.015 -3.192 0.811) 9.598 5.924 ( -0.579 15.417 0.725) 15.445 7.474 ( 8.295 5.808 1.462) 10.231 8.090 ( 16.769 4.139 -0.346) 17.276 11.751 ( -21.814 -0.634 -0.156) 21.823 13.949 ( -11.912 -18.216 -3.376) 22.025 14.096 ( -8.443 -14.184 2.417) 16.683 15.978 ( -2.811 7.772 0.010) 8.265 18.376 ( -4.073 -2.029 0.500) 4.577 19.297 ( 2.562 -8.052 -0.815) 8.489 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 1.098 7.734 0.674) 7.840 2.664 ( 1.405 6.473 -0.723) 6.663 2.847 ( 5.241 3.016 0.497) 6.067 2.910 ( 1.494 0.468 -0.973) 1.844 3.558 ( 6.917 3.057 0.673) 7.592 3.748 ( 6.164 1.467 -0.158) 6.338 4.013 ( -2.141 17.235 0.512) 17.375 4.965 ( 9.803 3.645 0.023) 10.459 5.596 ( 3.843 -5.322 0.905) 6.626 5.963 ( -9.393 12.764 0.359) 15.852 7.710 ( 11.274 5.191 0.744) 12.434 8.359 ( 11.899 0.479 -0.367) 11.914 11.428 ( -17.855 4.184 -0.106) 18.339 13.616 ( -6.152 -16.493 -2.011) 17.718 13.868 ( -5.070 -9.577 1.454) 10.933 16.006 ( -4.610 10.563 -0.019) 11.525 18.294 ( -1.364 -4.891 0.337) 5.089 19.246 ( 1.848 -8.815 -0.517) 9.021 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -1.907 5.839 -0.009) 6.143 2.728 ( -0.931 5.151 -0.018) 5.235 2.916 ( 1.781 0.271 0.849) 1.992 2.927 ( 0.347 -0.061 -0.998) 1.059 3.670 ( 3.326 0.683 0.236) 3.404 3.822 ( 2.837 -1.368 -0.072) 3.150 4.105 ( -6.018 15.262 0.177) 16.407 5.143 ( 8.163 -1.332 -0.112) 8.272 5.566 ( -1.471 -2.850 0.575) 3.258 5.923 ( -8.989 12.895 -0.067) 15.719 7.897 ( 5.694 0.887 0.148) 5.765 8.495 ( 5.880 -3.355 0.053) 6.770 11.247 ( -10.967 9.386 -0.037) 14.435 13.431 ( 1.901 -12.882 -0.771) 13.044 13.748 ( -0.626 -5.404 0.392) 5.454 16.024 ( -6.349 12.038 -0.011) 13.610 18.244 ( 1.752 -5.829 0.124) 6.088 19.203 ( 3.278 -8.102 -0.083) 8.740 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -4.199 4.542 -0.414) 6.199 2.729 ( -3.898 3.432 0.431) 5.211 2.912 ( -1.143 -1.272 -0.708) 1.851 2.933 ( 0.002 -0.444 0.908) 1.011 3.669 ( -2.370 -2.591 -0.130) 3.514 3.822 ( -0.212 -3.125 -0.018) 3.132 4.104 ( -10.305 12.791 -0.204) 16.426 5.143 ( -2.940 -7.766 -0.243) 8.307 5.563 ( 2.952 -0.248 -0.514) 3.006 5.923 ( -6.679 14.226 0.020) 15.716 7.895 ( -3.736 -4.556 -0.410) 5.906 8.496 ( 0.052 -6.724 0.645) 6.755 11.247 ( -2.628 14.205 0.035) 14.446 13.434 ( 10.563 -7.914 0.378) 13.204 13.744 ( 4.728 -2.289 -0.651) 5.293 16.024 ( -7.243 11.521 0.023) 13.609 18.243 ( 4.099 -4.470 -0.155) 6.066 19.204 ( 5.479 -6.835 0.406) 8.769 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -7.307 2.931 -0.717) 7.906 2.668 ( -6.264 2.034 0.752) 6.629 2.846 ( -5.081 -2.995 -0.024) 5.898 2.914 ( -1.193 -1.125 0.564) 1.734 3.554 ( -6.241 -4.504 -0.487) 7.712 3.748 ( -4.327 -4.578 0.035) 6.299 4.010 ( -13.920 10.452 -0.453) 17.413 4.963 ( -8.030 -6.653 -0.464) 10.438 5.591 ( 2.752 -6.066 -0.755) 6.704 5.961 ( -6.606 14.554 -0.405) 15.988 7.706 ( -10.256 -7.242 -0.812) 12.581 8.364 ( -6.360 -10.075 0.995) 11.956 11.428 ( 5.318 17.572 0.106) 18.360 13.627 ( 17.772 -2.750 1.615) 18.056 13.859 ( 10.557 -0.509 -1.673) 10.701 16.006 ( -6.840 9.268 0.062) 11.519 18.292 ( 4.846 -1.282 -0.511) 5.039 19.250 ( 6.788 -5.978 0.847) 9.085 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -11.934 0.812 -0.298) 11.965 2.568 ( -7.647 0.695 0.263) 7.683 2.648 ( -13.684 -5.603 0.430) 14.793 2.882 ( -1.160 -1.294 0.316) 1.766 3.391 ( -7.221 -4.772 -0.676) 8.682 3.581 ( -9.417 -5.978 0.061) 11.155 3.847 ( -15.689 8.309 -0.461) 17.759 4.777 ( -6.782 -4.553 -0.334) 8.176 5.523 ( -1.668 -9.611 -0.710) 9.781 5.920 ( -13.187 8.480 -0.807) 15.698 7.466 ( -9.349 -4.394 -1.207) 10.401 8.094 ( -12.076 -12.531 1.042) 17.433 11.752 ( 11.463 18.584 0.167) 21.836 13.967 ( 21.855 1.600 2.586) 22.066 14.081 ( 16.596 -0.091 -2.220) 16.744 15.978 ( -5.326 6.291 0.083) 8.243 18.371 ( 3.732 2.547 -0.903) 4.608 19.303 ( 5.728 -6.258 1.127) 8.558 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -16.908 -0.760 0.046) 16.925 2.258 ( -22.138 -8.452 0.106) 23.697 2.448 ( -8.629 0.385 0.167) 8.639 2.850 ( -1.408 -1.500 0.417) 2.100 3.205 ( -9.596 -5.117 -0.618) 10.893 3.312 ( -14.803 -7.003 -0.067) 16.376 3.653 ( -15.074 5.937 -0.271) 16.203 4.660 ( -2.898 -2.179 0.088) 3.627 5.318 ( -10.211 -14.345 -1.050) 17.640 5.679 ( -19.797 4.134 -0.447) 20.229 7.287 ( -11.390 -2.984 -1.246) 11.841 7.780 ( -8.311 -9.289 0.596) 12.479 12.156 ( 15.133 16.857 0.196) 22.654 14.360 ( 19.602 4.710 -2.402) 20.303 14.428 ( 25.274 -0.741 3.411) 25.514 15.953 ( -3.315 3.688 0.073) 4.959 18.452 ( 0.905 5.825 -1.140) 6.004 19.302 ( 1.284 -7.958 1.072) 8.132 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -27.411 -8.929 0.147) 28.829 1.904 ( -22.130 -1.238 0.171) 22.166 2.300 ( -8.785 -0.470 0.004) 8.798 2.754 ( -11.977 -4.951 0.725) 12.980 2.952 ( -14.133 -5.344 -0.577) 15.121 2.994 ( -10.867 -4.212 -0.351) 11.660 3.463 ( -12.508 3.320 -0.070) 12.941 4.633 ( 0.317 -0.329 0.772) 0.897 4.874 ( -22.893 -14.422 -1.418) 27.095 5.422 ( -14.170 2.612 -0.211) 14.410 6.894 ( -26.028 -9.355 -0.222) 27.659 7.740 ( 6.382 0.321 -0.461) 6.407 12.571 ( 16.256 12.524 0.179) 20.521 14.744 ( 21.412 5.333 -4.700) 22.561 14.878 ( 26.427 -0.780 6.496) 27.225 15.941 ( -1.402 2.228 0.049) 2.633 18.501 ( -3.255 8.005 -0.591) 8.661 19.170 ( -6.866 -10.791 0.196) 12.792 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -29.562 -6.645 0.162) 30.300 1.478 ( -26.501 -1.364 0.247) 26.537 2.148 ( -8.169 -0.784 -0.043) 8.207 2.283 ( -31.940 -7.529 0.102) 32.815 2.633 ( -17.678 -3.980 -0.145) 18.121 2.926 ( 1.136 -0.234 -0.117) 1.166 3.302 ( -8.903 1.053 0.020) 8.965 4.313 ( -26.173 -7.722 -0.044) 27.288 4.688 ( 3.643 -0.089 -0.178) 3.649 5.231 ( -10.675 1.024 -0.196) 10.725 6.314 ( -30.905 -7.551 0.176) 31.814 7.906 ( 10.430 1.848 -0.401) 10.600 12.932 ( 15.139 6.347 0.114) 16.416 15.173 ( 22.940 7.744 -5.299) 24.785 15.306 ( 24.887 -4.587 7.459) 26.382 15.953 ( 0.426 2.203 0.119) 2.247 18.491 ( -8.651 9.904 3.169) 13.527 18.845 ( -16.978 -13.799 -3.602) 22.173 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -27.750 0.000 0.000) 27.750 0.997 ( -28.991 0.000 0.000) 28.991 1.602 ( -42.209 0.000 0.000) 42.209 2.022 ( -6.214 0.000 0.000) 6.214 2.302 ( -18.106 0.000 0.000) 18.106 2.975 ( 4.503 -0.000 -0.000) 4.503 3.187 ( -5.187 0.000 0.000) 5.187 3.856 ( -22.632 0.000 0.000) 22.632 4.763 ( 4.885 -0.000 -0.000) 4.885 5.081 ( -7.549 0.000 0.000) 7.549 5.757 ( -29.139 0.000 0.000) 29.139 8.093 ( 9.897 -0.000 -0.000) 9.897 13.195 ( 12.093 -0.000 -0.000) 12.093 15.620 ( 17.499 -0.000 -0.000) 17.499 15.649 ( 24.092 -0.000 -0.000) 24.092 16.011 ( 5.590 -0.000 -0.000) 5.590 18.284 ( -32.535 0.000 0.000) 32.535 18.470 ( -6.181 0.000 0.000) 6.181 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -0.000 29.238 0.988) 29.254 1.116 ( -0.000 26.473 1.408) 26.510 1.830 ( -0.000 40.557 -0.265) 40.558 2.047 ( -0.000 6.364 -0.622) 6.394 2.406 ( -0.000 18.940 0.856) 18.959 2.959 ( 0.000 -3.265 0.098) 3.267 3.200 ( -0.000 4.638 0.263) 4.645 3.981 ( -0.000 25.987 -2.775) 26.135 4.739 ( -0.000 -4.384 -1.035) 4.504 5.092 ( -0.000 6.764 -0.433) 6.778 5.945 ( -0.000 31.103 2.605) 31.211 8.051 ( 0.000 -10.165 2.429) 10.451 13.108 ( 0.000 -15.339 0.250) 15.341 15.352 ( -0.000 -21.475 -10.217) 23.781 15.764 ( 0.000 -20.820 2.266) 20.943 15.926 ( 0.000 -0.427 -0.039) 0.429 18.350 ( -0.000 14.821 1.293) 14.878 18.552 ( -0.000 20.803 -7.107) 21.984 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.818 28.939 1.015) 30.270 1.486 ( 11.640 23.688 0.937) 26.410 2.145 ( 3.549 7.394 -0.583) 8.222 2.280 ( 9.426 31.344 -0.624) 32.737 2.639 ( 5.336 17.413 1.232) 18.254 2.927 ( -0.743 -0.896 0.064) 1.166 3.304 ( 5.324 7.241 0.345) 8.994 4.301 ( 6.907 26.846 -1.909) 27.786 4.680 ( -1.594 -3.462 -1.099) 3.967 5.227 ( 6.393 8.613 -0.504) 10.739 6.326 ( 8.359 30.298 1.758) 31.479 7.923 ( -3.773 -9.683 3.191) 10.871 12.934 ( -2.192 -16.240 0.175) 16.388 15.091 ( -3.997 -22.460 -7.914) 24.147 15.370 ( -17.798 -18.922 2.884) 26.137 15.957 ( 1.726 -1.420 0.476) 2.285 18.528 ( 11.067 -2.011 2.619) 11.549 18.783 ( -0.408 26.499 -6.289) 27.238 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 14.367 25.260 0.913) 29.074 1.908 ( 11.557 20.564 0.552) 23.596 2.296 ( 4.984 8.392 -0.506) 9.774 2.684 ( 8.553 15.045 -1.587) 17.379 2.905 ( 7.473 13.061 1.739) 15.148 2.957 ( 3.815 6.301 0.246) 7.371 3.514 ( 7.359 12.975 0.438) 14.923 4.623 ( -0.755 0.137 -1.817) 1.972 4.711 ( 12.636 18.879 0.262) 22.719 5.453 ( 7.847 13.019 -0.527) 15.210 6.797 ( 14.157 24.785 0.879) 28.557 7.766 ( -4.909 -7.606 3.537) 9.719 12.714 ( -7.406 -12.581 0.047) 14.599 14.747 ( -8.434 -23.316 -4.563) 25.211 14.881 ( -17.082 -19.975 1.078) 26.305 15.972 ( 0.502 1.289 0.783) 1.589 18.635 ( 1.237 1.468 -0.622) 2.018 18.997 ( 5.405 8.700 -1.201) 10.312 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 14.987 19.387 0.667) 24.514 2.266 ( 8.659 17.606 0.580) 19.629 2.463 ( 4.417 9.372 -0.488) 10.372 2.817 ( 1.969 1.726 -1.451) 2.994 3.133 ( 7.299 7.739 1.531) 10.748 3.208 ( 10.541 12.032 0.001) 15.996 3.789 ( 5.366 19.990 0.543) 20.705 4.623 ( 1.674 0.951 -1.084) 2.210 5.090 ( 14.134 8.372 0.935) 16.455 5.747 ( 8.470 18.923 -0.536) 20.739 7.247 ( 12.270 17.339 0.664) 21.251 7.660 ( 0.825 -4.418 2.836) 5.315 12.438 ( -14.260 -5.950 -0.097) 15.452 14.346 ( -10.331 -24.366 -2.800) 26.613 14.428 ( -13.102 -19.787 0.481) 23.736 16.012 ( 0.712 4.790 0.697) 4.893 18.603 ( -6.562 2.257 -0.707) 6.975 19.113 ( 6.349 -4.988 -0.309) 8.080 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 8.749 12.155 -0.058) 14.976 2.563 ( 7.859 14.639 1.258) 16.662 2.620 ( 3.142 9.966 -0.583) 10.466 2.853 ( 1.599 0.748 -1.192) 2.130 3.311 ( 6.886 4.218 1.347) 8.186 3.472 ( 9.311 6.990 -0.331) 11.647 4.065 ( 0.794 24.671 0.637) 24.692 4.703 ( 5.266 3.738 -0.601) 6.485 5.336 ( 10.757 -0.890 1.294) 10.871 6.066 ( 4.969 19.766 -0.243) 20.382 7.458 ( 1.138 7.749 1.802) 8.037 7.823 ( 17.087 1.336 0.389) 17.144 12.128 ( -19.375 1.483 -0.202) 19.433 13.921 ( -10.837 -23.859 -2.675) 26.341 14.069 ( -7.501 -18.200 1.243) 19.724 16.091 ( 0.312 9.200 0.459) 9.216 18.472 ( -8.851 -1.196 -0.261) 8.935 19.123 ( 5.102 -11.959 -0.392) 13.008 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 3.066 10.190 0.031) 10.641 2.734 ( 0.142 10.301 -0.258) 10.305 2.797 ( 5.211 6.129 0.800) 8.085 2.886 ( 1.663 0.762 -1.007) 2.088 3.467 ( 7.195 3.061 0.898) 7.870 3.653 ( 6.831 2.279 -0.309) 7.207 4.285 ( -3.845 24.900 0.607) 25.203 4.858 ( 7.250 5.016 -0.205) 8.818 5.464 ( 7.273 -3.403 1.229) 8.123 6.246 ( -5.389 17.273 -0.074) 18.094 7.594 ( 7.504 5.618 1.095) 9.438 8.113 ( 15.830 -1.721 -0.091) 15.924 11.833 ( -20.543 8.518 -0.189) 22.240 13.529 ( -7.576 -22.386 -1.887) 23.709 13.822 ( -3.234 -14.446 1.009) 14.838 16.196 ( -1.820 14.188 0.212) 14.305 18.300 ( -6.659 -6.010 0.018) 8.971 19.069 ( 4.678 -14.776 -0.366) 15.503 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -2.527 9.624 -0.381) 9.957 2.812 ( -0.553 8.077 0.186) 8.098 2.887 ( 1.955 0.918 0.600) 2.241 2.918 ( 1.005 1.354 -0.617) 1.796 3.603 ( 5.521 1.197 0.436) 5.666 3.750 ( 4.185 -1.232 -0.182) 4.366 4.420 ( -7.730 22.661 0.389) 23.946 5.011 ( 6.347 1.033 -0.093) 6.432 5.536 ( 3.327 -0.382 0.799) 3.443 6.255 ( -11.565 16.847 -0.186) 20.435 7.782 ( 8.538 1.708 0.354) 8.714 8.304 ( 11.000 -6.035 0.122) 12.548 11.620 ( -17.545 14.833 -0.078) 22.975 13.247 ( -0.471 -19.539 -1.115) 19.577 13.679 ( 0.096 -10.023 0.475) 10.035 16.293 ( -5.983 18.172 0.029) 19.132 18.152 ( -1.183 -9.585 0.100) 9.659 19.009 ( 5.912 -15.105 -0.112) 16.221 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -4.808 8.231 -0.541) 9.548 2.848 ( -3.561 6.433 0.586) 7.376 2.904 ( 0.485 -1.134 0.012) 1.233 2.936 ( -0.609 1.338 -0.023) 1.471 3.658 ( 0.983 -1.894 0.120) 2.137 3.777 ( 1.890 -3.214 -0.089) 3.729 4.465 ( -11.774 20.168 0.045) 23.353 5.071 ( 2.640 -4.668 -0.196) 5.367 5.564 ( -1.259 1.632 -0.085) 2.063 6.232 ( -10.481 18.283 -0.080) 21.074 7.868 ( 1.940 -3.646 -0.236) 4.137 8.368 ( 5.638 -9.552 0.631) 11.110 11.542 ( -11.454 19.892 0.039) 22.954 13.146 ( 8.919 -14.825 -0.313) 17.304 13.629 ( 3.639 -6.770 -0.255) 7.690 16.333 ( -10.640 18.440 -0.031) 21.290 18.092 ( 5.146 -9.055 -0.022) 10.415 18.985 ( 8.243 -14.059 0.289) 16.300 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -7.174 6.479 -0.507) 9.680 2.820 ( -6.682 5.271 0.717) 8.541 2.882 ( -2.055 -1.047 -0.186) 2.314 2.923 ( -1.153 -0.623 0.255) 1.335 3.599 ( -4.028 -4.254 -0.130) 5.860 3.750 ( -0.965 -4.191 -0.032) 4.301 4.417 ( -15.917 17.976 -0.210) 24.011 5.008 ( -4.091 -5.011 -0.483) 6.486 5.527 ( -1.635 -3.164 -0.640) 3.618 6.256 ( -8.898 18.495 -0.072) 20.525 7.776 ( -5.988 -6.675 -0.642) 8.990 8.309 ( -0.167 -12.530 1.040) 12.574 11.621 ( -4.041 22.662 0.111) 23.020 13.258 ( 17.810 -9.219 0.686) 20.066 13.669 ( 8.165 -5.145 -1.136) 9.717 16.293 ( -12.741 14.216 0.022) 19.090 18.149 ( 8.778 -3.776 -0.338) 9.562 19.014 ( 10.297 -12.619 0.713) 16.303 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -10.573 3.174 0.178) 11.041 2.734 ( -8.963 4.212 -0.170) 9.905 2.794 ( -7.714 -1.390 0.306) 7.844 2.892 ( -1.362 -1.125 0.131) 1.772 3.460 ( -6.507 -4.764 -0.353) 8.072 3.655 ( -5.340 -4.717 0.019) 7.125 4.280 ( -19.732 15.832 -0.235) 25.299 4.856 ( -7.797 -3.653 -0.581) 8.630 5.452 ( -0.779 -8.098 -0.707) 8.166 6.244 ( -12.438 13.536 -0.308) 18.386 7.581 ( -8.933 -3.910 -0.920) 9.795 8.121 ( -6.486 -14.665 1.177) 16.078 11.835 ( 2.902 22.105 0.145) 22.295 13.552 ( 24.029 -4.819 1.914) 24.582 13.803 ( 13.576 -4.090 -2.100) 14.334 16.195 ( -11.393 8.519 0.088) 14.226 18.295 ( 8.458 2.917 -0.728) 8.977 19.078 ( 10.562 -11.521 1.028) 15.664 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -14.966 -1.617 0.404) 15.058 2.553 ( -16.411 0.594 -0.506) 16.429 2.626 ( -10.407 2.106 0.402) 10.626 2.860 ( -1.296 -0.953 0.119) 1.613 3.301 ( -7.253 -3.903 -0.376) 8.245 3.474 ( -10.752 -4.528 0.015) 11.667 4.061 ( -21.778 11.692 -0.114) 24.718 4.706 ( -5.580 -2.435 -0.286) 6.095 5.323 ( -4.622 -9.788 -0.709) 10.848 6.066 ( -19.582 5.961 -0.325) 20.471 7.439 ( -7.384 2.760 -1.223) 7.978 7.828 ( -10.197 -14.458 1.172) 17.731 12.130 ( 8.379 17.524 0.142) 19.425 13.955 ( 27.015 -3.840 2.919) 27.442 14.046 ( 19.013 -1.118 -2.740) 19.242 16.089 ( -8.148 4.079 0.093) 9.113 18.467 ( 5.436 7.559 -0.971) 9.361 19.132 ( 7.839 -10.743 1.078) 13.343 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -24.462 -3.465 0.085) 24.707 2.263 ( -19.443 1.225 0.019) 19.481 2.467 ( -10.342 0.888 0.043) 10.381 2.826 ( -2.200 -0.825 0.173) 2.356 3.123 ( -10.442 -2.475 -0.228) 10.734 3.207 ( -15.956 -3.085 -0.061) 16.252 3.786 ( -19.963 5.293 -0.008) 20.653 4.631 ( -1.390 -0.768 0.053) 1.589 5.080 ( -14.212 -7.686 -0.563) 16.167 5.749 ( -20.600 2.420 -0.149) 20.743 7.240 ( -20.815 -1.381 -0.469) 20.866 7.644 ( 2.565 -3.976 0.278) 4.740 12.440 ( 12.250 9.297 0.091) 15.378 14.361 ( 25.201 -2.368 -1.098) 25.336 14.430 ( 25.333 0.657 1.518) 25.387 16.008 ( -4.516 1.487 0.045) 4.755 18.603 ( 1.313 7.785 -0.719) 7.928 19.119 ( 1.236 -8.637 0.648) 8.749 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -29.119 0.000 0.000) 29.119 1.905 ( -23.620 0.000 0.000) 23.620 2.299 ( -9.741 0.000 0.000) 9.741 2.693 ( -17.451 0.000 0.000) 17.451 2.894 ( -14.949 0.000 0.000) 14.949 2.955 ( -7.431 0.000 0.000) 7.431 3.511 ( -14.875 0.000 0.000) 14.875 4.636 ( 2.010 -0.000 -0.000) 2.010 4.708 ( -23.965 0.000 0.000) 23.965 5.456 ( -15.261 0.000 0.000) 15.261 6.791 ( -28.801 0.000 0.000) 28.801 7.744 ( 8.970 -0.000 -0.000) 8.970 12.713 ( 14.575 -0.000 -0.000) 14.575 14.784 ( 25.700 -0.000 -0.000) 25.700 14.865 ( 25.319 -0.000 -0.000) 25.319 15.967 ( -1.328 0.000 0.000) 1.328 18.638 ( -2.404 0.000 0.000) 2.404 19.005 ( -9.346 0.000 0.000) 9.346 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.000 30.261 1.268) 30.288 1.606 ( -0.000 23.025 1.319) 23.063 2.182 ( -0.000 7.519 -0.773) 7.559 2.510 ( -0.000 28.299 -1.077) 28.319 2.777 ( -0.000 17.894 1.648) 17.970 2.934 ( -0.000 1.332 -0.058) 1.333 3.313 ( -0.000 6.659 0.429) 6.673 4.539 ( -0.000 30.170 -1.408) 30.203 4.666 ( -0.000 -1.218 -1.966) 2.312 5.239 ( -0.000 8.327 -0.578) 8.347 6.574 ( -0.000 31.098 1.728) 31.146 7.869 ( 0.000 -8.776 3.953) 9.626 12.754 ( 0.000 -20.630 0.232) 20.632 14.905 ( -0.000 -20.686 -6.638) 21.725 15.342 ( 0.000 -23.643 3.630) 23.920 15.917 ( 0.000 -0.450 -0.032) 0.451 18.409 ( 0.000 -0.380 0.083) 0.389 19.034 ( -0.000 21.703 -3.753) 22.025 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 5.785 28.179 1.374) 28.800 1.915 ( 9.647 19.703 0.983) 21.960 2.292 ( 4.146 7.861 -0.721) 8.917 2.745 ( 1.616 12.980 -1.952) 13.225 2.966 ( 2.290 14.457 2.109) 14.788 2.992 ( 1.938 11.653 0.005) 11.813 3.467 ( 9.186 9.189 0.554) 13.005 4.626 ( -0.735 -1.120 -1.220) 1.812 4.849 ( 0.146 28.244 -1.093) 28.266 5.412 ( 9.363 10.800 -0.765) 14.314 6.902 ( 4.626 26.497 1.083) 26.920 7.779 ( -3.225 -5.257 4.251) 7.491 12.574 ( 2.605 -20.340 0.146) 20.507 14.648 ( -5.397 -20.221 -5.041) 21.528 14.964 ( -15.395 -23.077 2.332) 27.838 15.947 ( 3.000 0.071 0.552) 3.051 18.483 ( 8.489 -2.723 -1.306) 9.011 19.160 ( -5.119 13.617 -1.061) 14.586 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 8.937 22.811 1.142) 24.526 2.270 ( 10.578 16.260 0.766) 19.413 2.462 ( 6.070 8.620 -0.570) 10.559 2.815 ( 0.443 2.520 -1.864) 3.165 3.136 ( 3.054 10.201 1.773) 10.795 3.206 ( 5.259 15.028 -0.095) 15.922 3.792 ( 14.521 14.722 0.696) 20.690 4.617 ( 0.219 1.465 -1.304) 1.973 5.080 ( 1.277 16.380 0.473) 16.436 5.739 ( 12.685 16.453 -0.897) 20.794 7.239 ( 9.013 18.087 0.460) 20.214 7.686 ( -5.361 0.022 3.868) 6.610 12.440 ( 1.775 -15.275 -0.012) 15.378 14.311 ( -10.623 -19.444 -3.086) 22.370 14.460 ( -16.190 -23.102 0.611) 28.217 16.018 ( 3.512 3.194 0.989) 4.849 18.577 ( 6.538 -5.553 -1.890) 8.784 19.130 ( -8.077 4.077 0.444) 9.059 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 8.276 14.857 0.570) 17.016 2.583 ( 8.380 14.096 0.924) 16.425 2.650 ( 5.345 9.791 -0.409) 11.163 2.839 ( 0.882 1.363 -1.597) 2.278 3.272 ( 3.492 6.081 1.619) 7.197 3.422 ( 5.657 9.633 -0.441) 11.180 4.207 ( 11.984 21.137 0.749) 24.310 4.671 ( 3.351 4.822 -0.979) 5.953 5.218 ( 3.051 4.555 1.282) 5.630 6.119 ( 11.139 18.538 -0.754) 21.640 7.553 ( 11.503 9.846 -0.030) 15.141 7.623 ( -4.418 3.568 2.997) 6.421 12.322 ( -3.689 -6.256 -0.257) 7.267 13.899 ( -14.158 -20.384 -0.243) 24.819 14.018 ( -9.606 -21.238 -1.537) 23.360 16.137 ( 4.131 7.722 0.965) 8.810 18.562 ( -1.600 -5.956 -1.772) 6.417 18.995 ( -5.529 -6.655 0.782) 8.687 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 5.640 8.927 0.355) 10.565 2.809 ( 4.021 9.392 0.079) 10.217 2.822 ( 2.850 11.026 0.182) 11.390 2.869 ( 1.460 1.678 -0.975) 2.429 3.394 ( 5.070 4.016 1.150) 6.570 3.577 ( 4.966 3.852 -0.457) 6.301 4.544 ( 2.567 19.943 0.574) 20.116 4.839 ( 5.499 13.331 -0.373) 14.425 5.299 ( 6.755 -3.324 1.398) 7.657 6.435 ( 4.314 17.793 -0.585) 18.318 7.616 ( -2.519 7.630 1.601) 8.193 7.825 ( 14.852 -1.227 0.084) 14.903 12.188 ( -10.710 4.093 -0.443) 11.474 13.468 ( -11.883 -21.500 -0.100) 24.566 13.716 ( -3.583 -17.227 -0.908) 17.619 16.312 ( 4.120 13.021 0.691) 13.675 18.399 ( -9.822 -6.008 -1.001) 11.557 18.845 ( 1.092 -15.818 0.338) 15.859 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 2.564 2.855 0.637) 3.889 2.885 ( 0.823 1.485 -1.071) 2.007 2.945 ( -0.285 10.315 -0.246) 10.322 2.958 ( 0.396 9.778 0.510) 9.799 3.520 ( 5.632 1.776 0.650) 5.941 3.665 ( 3.975 -0.919 -0.327) 4.093 4.717 ( -1.048 15.212 0.456) 15.255 5.005 ( -2.043 10.542 0.099) 10.739 5.441 ( 10.062 3.030 0.791) 10.538 6.590 ( -6.210 17.697 -0.468) 18.760 7.689 ( 3.768 3.356 0.648) 5.088 8.025 ( 13.400 -7.073 0.215) 15.154 12.052 ( -14.575 13.111 -0.312) 19.607 13.101 ( -6.468 -20.133 -0.493) 21.153 13.552 ( 1.242 -12.944 -0.150) 13.004 16.521 ( 1.515 18.652 0.320) 18.716 18.146 ( -9.792 -9.225 -0.334) 13.457 18.730 ( 5.793 -19.568 0.064) 20.408 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 1.029 -0.763 0.504) 1.376 2.902 ( 0.167 1.001 -0.405) 1.092 3.012 ( -3.897 10.461 -0.369) 11.169 3.031 ( -3.151 9.270 0.238) 9.794 3.603 ( 3.469 -1.427 0.316) 3.765 3.699 ( 3.042 -3.820 -0.182) 4.886 4.819 ( -5.428 15.835 0.351) 16.744 5.009 ( -0.935 -0.850 0.004) 1.264 5.621 ( 1.099 9.671 0.029) 9.733 6.605 ( -11.266 18.636 -0.287) 21.779 7.773 ( 4.628 -2.719 -0.003) 5.367 8.134 ( 9.733 -11.110 0.562) 14.781 11.967 ( -13.919 19.547 0.010) 23.996 12.884 ( 2.818 -16.427 -0.525) 16.676 13.487 ( 3.654 -9.471 -0.131) 10.152 16.690 ( -6.436 21.946 -0.011) 22.870 17.940 ( -0.947 -11.327 -0.040) 11.367 18.666 ( 9.447 -19.732 0.202) 21.878 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.211 -1.260 0.136) 1.285 2.909 ( -0.239 0.316 0.272) 0.481 3.013 ( -7.065 8.924 -0.290) 11.386 3.027 ( -6.725 7.074 -0.047) 9.761 3.601 ( -0.725 -3.830 0.133) 3.900 3.700 ( 1.880 -4.469 -0.099) 4.850 4.816 ( -11.210 12.394 0.025) 16.712 5.008 ( 1.001 0.371 -0.149) 1.078 5.616 ( -9.408 3.786 -0.519) 10.155 6.607 ( -10.352 19.209 -0.090) 21.821 7.769 ( -0.326 -5.547 -0.427) 5.573 8.138 ( 4.977 -13.957 0.913) 14.846 11.969 ( -9.881 21.943 0.155) 24.066 12.890 ( 13.410 -10.551 -0.003) 17.063 13.482 ( 5.955 -7.929 -0.604) 9.935 16.690 ( -15.825 16.466 -0.079) 22.838 17.939 ( 10.171 -4.841 -0.172) 11.266 18.669 ( 12.600 -17.975 0.522) 21.957 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -3.401 -1.026 0.260) 3.562 2.898 ( -1.326 -0.095 0.383) 1.383 2.947 ( -8.863 4.141 -0.532) 9.797 2.948 ( -9.139 6.100 0.044) 10.988 3.513 ( -4.682 -4.137 -0.031) 6.247 3.668 ( -1.095 -3.788 -0.034) 3.943 4.712 ( -12.720 8.608 -0.050) 15.359 5.000 ( -8.046 6.980 -0.365) 10.658 5.427 ( -8.116 -7.101 -0.544) 10.798 6.593 ( -12.252 14.445 -0.123) 18.941 7.675 ( -5.233 -1.884 -0.706) 5.606 8.034 ( -0.473 -15.237 1.075) 15.283 12.056 ( -4.038 19.404 0.119) 19.820 13.115 ( 21.313 -5.139 0.837) 21.939 13.541 ( 10.256 -6.798 -1.202) 12.363 16.518 ( -16.993 7.780 0.021) 18.690 18.144 ( 12.881 4.205 -0.533) 13.561 18.738 ( 14.181 -15.047 0.802) 20.692 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -10.438 -0.823 0.240) 10.473 2.803 ( -11.495 2.182 -0.382) 11.706 2.825 ( -10.365 2.364 0.314) 10.636 2.876 ( -1.413 -0.447 -0.012) 1.482 3.382 ( -6.341 -2.487 -0.122) 6.813 3.581 ( -5.775 -2.275 0.002) 6.207 4.538 ( -18.801 7.793 0.047) 20.352 4.839 ( -13.819 2.272 -0.332) 14.009 5.282 ( -0.682 -7.465 -0.330) 7.503 6.440 ( -17.574 5.532 -0.127) 18.424 7.591 ( -5.872 5.504 -0.917) 8.100 7.835 ( -6.506 -13.556 1.049) 15.073 12.193 ( 1.715 11.455 0.068) 11.583 13.480 ( 25.236 -2.565 1.193) 25.394 13.712 ( 16.541 -3.192 -1.290) 16.896 16.305 ( -13.448 2.616 0.049) 13.701 18.403 ( 10.259 6.699 -0.634) 12.269 18.849 ( 13.131 -9.963 0.750) 16.500 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -17.249 0.000 0.000) 17.249 2.575 ( -16.520 0.000 0.000) 16.520 2.654 ( -10.926 0.000 0.000) 10.926 2.850 ( -1.420 0.000 0.000) 1.420 3.257 ( -7.219 0.000 0.000) 7.219 3.426 ( -11.259 0.000 0.000) 11.259 4.200 ( -24.305 0.000 0.000) 24.305 4.682 ( -5.598 0.000 0.000) 5.598 5.205 ( -5.305 0.000 0.000) 5.305 6.127 ( -21.549 0.000 0.000) 21.549 7.557 ( -15.342 0.000 0.000) 15.342 7.589 ( -0.652 0.000 0.000) 0.652 12.324 ( 7.127 -0.000 -0.000) 7.127 13.904 ( 26.182 -0.000 -0.000) 26.182 14.031 ( 22.258 -0.000 -0.000) 22.258 16.128 ( -8.844 0.000 0.000) 8.844 18.580 ( 6.088 -0.000 -0.000) 6.088 18.987 ( 8.606 -0.000 -0.000) 8.606 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -0.000 27.396 1.538) 27.439 2.016 ( -0.000 18.281 1.157) 18.318 2.327 ( -0.000 7.421 -0.826) 7.467 2.819 ( -0.000 4.581 -2.251) 5.104 3.092 ( 0.000 13.675 1.851) 13.800 3.126 ( -0.000 17.613 0.184) 17.614 3.461 ( -0.000 8.197 0.586) 8.218 4.627 ( -0.000 0.649 -1.336) 1.485 5.160 ( -0.000 29.861 -0.841) 29.873 5.402 ( -0.000 8.378 -0.632) 8.402 7.106 ( -0.000 20.558 1.117) 20.589 7.797 ( 0.000 2.028 4.140) 4.610 12.322 ( 0.000 -23.181 0.128) 23.181 14.495 ( -0.000 -18.982 -4.484) 19.505 14.878 ( 0.000 -24.689 2.585) 24.824 15.910 ( 0.000 -0.331 -0.016) 0.332 18.390 ( -0.000 -1.157 -1.436) 1.844 19.322 ( -0.000 8.960 -0.377) 8.968 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 7.528 14.828 0.827) 16.651 2.273 ( 3.424 23.189 1.551) 23.492 2.441 ( 4.932 7.674 -0.649) 9.145 2.836 ( -0.562 1.958 -2.198) 2.997 3.220 ( 0.289 10.766 1.950) 10.945 3.308 ( 1.349 16.076 -0.309) 16.135 3.659 ( 12.852 9.986 0.692) 16.291 4.639 ( -0.344 3.225 -1.341) 3.509 5.308 ( -6.698 16.815 0.307) 18.102 5.661 ( 13.507 15.016 -0.768) 20.212 7.288 ( 2.826 11.432 1.269) 11.844 7.835 ( -4.119 11.069 3.093) 12.209 12.160 ( 6.932 -21.594 0.028) 22.680 14.261 ( -5.334 -17.743 -3.808) 18.915 14.512 ( -14.215 -23.354 1.774) 27.397 15.960 ( 5.362 0.945 0.397) 5.459 18.415 ( 4.584 -3.525 -1.375) 5.943 19.321 ( -7.318 3.603 0.215) 8.160 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 5.817 13.776 0.453) 14.960 2.556 ( 8.622 12.190 0.790) 14.952 2.632 ( 6.977 9.713 0.214) 11.961 2.844 ( -0.005 1.690 -1.943) 2.575 3.317 ( 0.167 7.957 1.713) 8.141 3.468 ( 1.488 11.481 -0.526) 11.589 4.071 ( 21.148 12.952 0.788) 24.812 4.683 ( 1.036 5.907 -1.093) 6.096 5.330 ( -5.686 9.130 1.109) 10.813 6.051 ( 15.134 14.096 -0.699) 20.694 7.441 ( 5.776 5.295 1.327) 7.948 7.870 ( -7.871 15.040 1.743) 17.064 12.130 ( 10.782 -16.067 -0.158) 19.350 13.965 ( -8.747 -16.502 -3.494) 19.001 14.011 ( -18.398 -20.838 1.647) 27.846 16.102 ( 7.773 4.842 0.760) 9.189 18.433 ( 3.840 -8.013 -1.323) 8.983 19.155 ( -13.194 -1.326 0.487) 13.269 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 4.394 9.631 0.495) 10.598 2.798 ( 8.004 8.284 -0.066) 11.519 2.833 ( 5.978 7.389 0.296) 9.509 2.865 ( 1.164 2.406 -1.063) 2.876 3.398 ( 0.887 6.467 1.257) 6.647 3.574 ( 1.002 6.129 -0.535) 6.233 4.549 ( 15.632 12.186 0.638) 19.831 4.826 ( 9.950 11.094 -0.515) 14.911 5.298 ( -5.942 4.010 1.356) 7.296 6.428 ( 13.794 12.432 -0.693) 18.583 7.596 ( 7.921 1.980 1.227) 8.257 7.859 ( -9.507 12.289 0.661) 15.551 12.187 ( 8.765 -7.257 -0.470) 11.389 13.512 ( -15.805 -20.980 1.112) 26.291 13.662 ( -9.320 -12.144 -2.235) 15.471 16.317 ( 8.856 10.152 0.775) 13.494 18.374 ( 0.963 -11.854 -1.265) 11.960 18.870 ( -15.534 -6.398 0.589) 16.811 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 1.624 3.147 0.738) 3.617 2.881 ( 0.678 1.502 -1.071) 1.965 2.999 ( 5.100 8.736 0.320) 10.121 3.016 ( 5.204 8.546 -0.159) 10.007 3.477 ( 1.994 3.858 0.836) 4.423 3.620 ( 0.607 0.782 -0.450) 1.088 4.768 ( 4.018 6.788 0.231) 7.892 5.218 ( -3.434 -2.501 1.072) 4.381 5.263 ( 15.448 22.393 0.108) 27.205 6.737 ( 7.690 12.748 -0.664) 14.903 7.737 ( 5.049 1.268 1.350) 5.378 7.803 ( -3.837 2.016 -0.240) 4.341 12.258 ( 1.786 2.944 -0.760) 3.527 13.083 ( -12.225 -18.308 0.904) 22.034 13.436 ( -3.688 -9.959 -1.213) 10.689 16.599 ( 9.000 15.872 0.563) 18.255 18.226 ( -5.171 -11.545 -1.099) 12.698 18.542 ( -9.849 -14.212 0.626) 17.302 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.356 -0.158 0.619) 0.732 2.901 ( 0.551 0.766 -0.579) 1.107 3.145 ( 0.848 9.974 0.005) 10.010 3.160 ( 0.654 9.782 -0.119) 9.805 3.533 ( 2.534 -0.768 0.538) 2.702 3.617 ( 1.283 -3.819 -0.331) 4.042 4.889 ( 3.589 5.291 0.303) 6.401 5.115 ( -6.122 -0.670 0.449) 6.175 5.697 ( 8.521 20.149 -0.005) 21.877 6.912 ( -2.924 14.855 -0.515) 15.149 7.718 ( -2.387 -0.777 0.125) 2.513 7.858 ( 9.485 -9.239 0.592) 13.255 12.301 ( -4.557 11.450 -0.499) 12.334 12.762 ( -6.390 -14.131 0.222) 15.510 13.337 ( 2.188 -8.397 -0.374) 8.685 16.917 ( 5.836 21.532 0.207) 22.310 17.961 ( -12.720 -8.878 -0.447) 15.518 18.319 ( 4.796 -22.269 0.330) 22.782 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.273 -0.840 0.327) 0.942 2.911 ( 0.126 0.229 -0.175) 0.315 3.207 ( -4.850 9.176 -0.300) 10.383 3.212 ( -5.388 8.527 0.116) 10.087 3.550 ( 2.081 -3.956 0.305) 4.481 3.605 ( 3.233 -5.368 -0.180) 6.269 4.980 ( -0.559 -0.240 0.103) 0.617 5.022 ( -2.113 4.180 0.150) 4.686 5.878 ( -8.140 13.829 -0.307) 16.049 6.951 ( -8.841 15.732 -0.245) 18.048 7.693 ( 2.260 -4.287 -0.180) 4.849 7.896 ( 7.348 -12.742 0.690) 14.725 12.325 ( -8.538 15.227 0.167) 17.458 12.629 ( 5.249 -8.958 -0.289) 10.386 13.318 ( 4.162 -7.371 -0.261) 8.469 17.116 ( -11.702 20.129 -0.142) 23.284 17.758 ( 3.045 -5.310 -0.061) 6.122 18.255 ( 12.744 -21.873 0.329) 25.317 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -0.259 -0.542 0.110) 0.610 2.909 ( -0.498 -0.105 0.045) 0.511 3.145 ( -9.205 3.850 0.045) 9.978 3.159 ( -8.780 4.944 -0.205) 10.078 3.527 ( -0.867 -2.943 0.117) 3.070 3.620 ( 2.779 -2.799 -0.061) 3.944 4.883 ( -6.375 -0.434 -0.090) 6.390 5.110 ( 3.150 4.666 0.082) 5.630 5.692 ( -22.010 3.077 -0.326) 22.227 6.919 ( -11.210 10.252 -0.092) 15.191 7.708 ( 1.156 1.517 -0.505) 1.973 7.862 ( 3.673 -13.191 0.787) 13.716 12.310 ( -7.498 10.234 0.094) 12.687 12.761 ( 15.602 -2.477 0.138) 15.798 13.337 ( 6.242 -5.375 -0.411) 8.247 16.913 ( -21.766 5.574 -0.044) 22.468 17.963 ( 14.240 7.175 -0.326) 15.949 18.321 ( 16.919 -15.883 0.488) 23.211 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( -3.524 0.000 0.000) 3.524 2.894 ( -1.072 0.000 0.000) 1.072 2.995 ( -10.306 0.000 0.000) 10.306 3.018 ( -10.292 0.000 0.000) 10.292 3.465 ( -4.617 0.000 0.000) 4.617 3.626 ( -0.905 0.000 0.000) 0.905 4.765 ( -7.849 0.000 0.000) 7.849 5.202 ( 3.524 -0.000 -0.000) 3.524 5.261 ( -27.169 0.000 0.000) 27.169 6.747 ( -14.824 0.000 0.000) 14.824 7.718 ( -4.193 0.000 0.000) 4.193 7.805 ( 0.254 -0.000 -0.000) 0.254 12.269 ( -3.549 0.000 0.000) 3.549 13.070 ( 21.692 -0.000 -0.000) 21.692 13.453 ( 11.284 -0.000 -0.000) 11.284 16.590 ( -18.503 0.000 0.000) 18.503 18.243 ( 12.982 -0.000 -0.000) 12.982 18.532 ( 17.071 -0.000 -0.000) 17.071 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -0.000 12.644 0.948) 12.680 2.461 ( -0.000 6.668 -0.804) 6.716 2.475 ( -0.000 20.929 1.652) 20.994 2.855 ( -0.000 1.589 -2.354) 2.840 3.324 ( 0.000 9.400 1.951) 9.601 3.450 ( -0.000 14.600 -0.472) 14.608 3.630 ( -0.000 8.680 0.662) 8.705 4.684 ( -0.000 5.801 -1.229) 5.929 5.553 ( -0.000 7.161 -0.581) 7.185 5.632 ( -0.000 16.674 0.771) 16.692 7.366 ( 0.000 9.014 1.584) 9.152 8.018 ( 0.000 16.536 1.990) 16.656 11.872 ( 0.000 -22.318 0.003) 22.318 14.130 ( -0.000 -16.726 -3.615) 17.112 14.420 ( 0.000 -22.465 1.870) 22.543 15.905 ( 0.000 -0.148 -0.004) 0.148 18.357 ( -0.000 -1.642 -0.791) 1.822 19.408 ( 0.000 0.671 0.160) 0.689 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 6.636 9.139 0.674) 11.314 2.560 ( 4.127 7.029 -0.654) 8.177 2.676 ( 2.023 14.542 1.556) 14.765 2.862 ( -0.413 1.863 -2.107) 2.843 3.407 ( -0.573 8.193 1.600) 8.367 3.573 ( -0.459 11.141 -0.523) 11.163 3.852 ( 15.290 9.197 0.684) 17.856 4.746 ( -0.389 8.063 -0.958) 8.129 5.524 ( -6.969 6.622 0.691) 9.638 5.906 ( 13.657 7.705 0.150) 15.682 7.469 ( 0.774 9.835 1.290) 9.950 8.142 ( -5.031 16.134 1.152) 16.939 11.754 ( 10.294 -19.304 -0.075) 21.878 13.916 ( -5.867 -16.479 -3.546) 17.848 14.104 ( -12.219 -18.003 1.886) 21.839 15.984 ( 8.537 1.317 0.186) 8.640 18.341 ( 0.198 -3.604 -0.487) 3.642 19.331 ( -8.252 -1.855 0.127) 8.459 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 9.573 6.200 0.205) 11.407 2.724 ( 6.325 7.276 -0.360) 9.648 2.818 ( 2.379 6.240 1.033) 6.758 2.876 ( 0.060 2.689 -1.229) 2.957 3.475 ( -0.861 7.679 1.111) 7.806 3.646 ( -1.383 7.034 -0.482) 7.185 4.289 ( 23.889 8.942 0.667) 25.517 4.829 ( 1.160 8.772 -0.551) 8.865 5.464 ( -6.503 4.592 1.209) 8.052 6.231 ( 17.774 4.276 -0.295) 18.284 7.582 ( 1.063 9.154 0.908) 9.261 8.159 ( -9.843 12.740 0.576) 16.110 11.834 ( 17.509 -13.513 -0.184) 22.118 13.560 ( -14.140 -19.571 -1.922) 24.222 13.764 ( -11.948 -8.673 0.665) 14.779 16.205 ( 13.304 5.215 0.331) 14.293 18.271 ( -1.944 -7.850 -0.369) 8.095 19.102 ( -15.295 -3.622 0.073) 15.719 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.858 3.292 0.352) 3.421 2.891 ( 0.096 2.075 -0.840) 2.240 2.934 ( 10.223 5.215 -0.091) 11.477 2.958 ( 7.957 4.610 0.420) 9.205 3.528 ( -1.252 5.907 0.701) 6.079 3.659 ( -2.689 2.907 -0.386) 3.978 4.721 ( 13.150 6.644 0.444) 14.740 4.995 ( 11.967 3.955 0.120) 12.604 5.433 ( -2.790 9.563 0.788) 9.993 6.580 ( 18.590 3.571 -0.473) 18.936 7.674 ( 1.019 5.046 0.628) 5.186 8.063 ( -13.425 8.118 0.248) 15.691 12.052 ( 18.407 -5.848 -0.334) 19.316 13.124 ( -14.251 -17.425 -0.477) 22.516 13.510 ( -10.877 -4.175 -0.158) 11.652 16.525 ( 15.294 10.326 0.322) 18.457 18.125 ( -3.028 -12.360 -0.321) 12.729 18.757 ( -20.221 -5.043 0.051) 20.840 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -0.553 0.587 0.623) 1.019 2.900 ( 0.199 0.627 -0.635) 0.914 3.148 ( 8.596 5.429 -0.046) 10.167 3.151 ( 8.133 5.560 -0.002) 9.852 3.540 ( -2.230 2.155 0.487) 3.139 3.612 ( -3.756 -1.007 -0.325) 3.903 4.888 ( 2.919 5.779 0.315) 6.483 5.120 ( 2.193 -5.548 0.392) 5.979 5.687 ( 14.010 17.148 0.115) 22.144 6.907 ( 14.604 4.728 -0.440) 15.356 7.705 ( 0.499 -1.917 0.331) 2.009 7.883 ( -13.546 3.525 0.225) 13.999 12.301 ( 12.029 2.115 -0.511) 12.224 12.768 ( -9.401 -13.379 0.173) 16.352 13.323 ( -7.118 -2.174 -0.198) 7.445 16.917 ( 15.701 15.568 0.207) 22.112 17.949 ( -1.026 -15.089 -0.274) 15.126 18.334 ( -22.335 -6.985 0.104) 23.402 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -0.487 -0.254 0.284) 0.618 2.909 ( 0.335 0.235 -0.232) 0.471 3.317 ( 3.771 6.617 -0.084) 7.617 3.321 ( 4.020 6.256 -0.051) 7.436 3.497 ( -2.375 -2.525 0.527) 3.506 3.523 ( -2.277 -4.993 -0.388) 5.501 4.978 ( 2.165 4.038 0.297) 4.591 5.062 ( -2.216 -3.658 -0.029) 4.277 6.033 ( 6.611 10.800 -0.061) 12.663 7.127 ( 3.927 6.115 -0.260) 7.272 7.664 ( -0.893 -3.023 -0.214) 3.159 7.727 ( -3.682 -3.669 0.562) 5.228 12.466 ( 2.867 5.592 -0.446) 6.300 12.563 ( -3.340 -6.509 0.312) 7.322 13.231 ( -1.104 -2.477 -0.090) 2.713 17.344 ( 12.331 20.822 -0.023) 24.199 17.814 ( -3.714 -8.283 -0.272) 9.081 17.899 ( -11.064 -16.564 0.329) 19.922 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.096 -0.000 -0.000) 0.096 2.913 ( -0.025 0.000 0.000) 0.025 3.317 ( -7.984 0.000 0.000) 7.984 3.324 ( -7.065 0.000 0.000) 7.065 3.487 ( 3.269 -0.000 -0.000) 3.269 3.530 ( 5.504 -0.000 -0.000) 5.504 4.972 ( -4.696 0.000 0.000) 4.696 5.063 ( 3.807 -0.000 -0.000) 3.807 6.035 ( -12.667 0.000 0.000) 12.667 7.133 ( -6.824 0.000 0.000) 6.824 7.670 ( 2.946 -0.000 -0.000) 2.946 7.713 ( 4.605 -0.000 -0.000) 4.605 12.476 ( -5.914 0.000 0.000) 5.914 12.555 ( 7.187 -0.000 -0.000) 7.187 13.233 ( 2.894 -0.000 -0.000) 2.894 17.344 ( -24.537 0.000 0.000) 24.537 17.820 ( 9.445 -0.000 -0.000) 9.445 17.891 ( 19.757 -0.000 -0.000) 19.757 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -0.000 6.450 0.492) 6.469 2.584 ( -0.000 6.127 -0.464) 6.145 2.791 ( 0.000 10.084 1.259) 10.162 2.882 ( -0.000 2.549 -1.829) 3.137 3.494 ( 0.000 7.910 1.272) 8.012 3.683 ( -0.000 9.471 -0.426) 9.480 3.793 ( -0.000 7.406 0.582) 7.429 4.840 ( -0.000 10.308 -0.689) 10.331 5.672 ( -0.000 5.105 -0.440) 5.124 5.787 ( 0.000 -0.573 1.658) 1.754 7.582 ( -0.000 12.681 0.883) 12.712 8.337 ( -0.000 14.073 0.703) 14.090 11.475 ( 0.000 -17.753 -0.076) 17.753 13.815 ( -0.000 -14.039 -3.070) 14.371 14.045 ( 0.000 -15.984 1.617) 16.065 15.903 ( 0.000 -0.003 0.001) 0.003 18.324 ( 0.000 -1.543 -0.029) 1.543 19.380 ( 0.000 -2.815 -0.033) 2.815 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.185 4.081 0.115) 7.411 2.681 ( 4.813 5.203 -0.167) 7.090 2.857 ( -0.111 3.593 0.139) 3.598 2.910 ( -0.349 3.774 -0.487) 3.821 3.565 ( -0.702 7.348 0.848) 7.430 3.739 ( -1.837 6.145 -0.331) 6.422 4.012 ( 16.294 6.571 0.491) 17.575 4.931 ( -1.528 10.576 -0.387) 10.693 5.598 ( -6.340 0.706 0.925) 6.446 5.954 ( 15.494 -1.361 0.208) 15.555 7.698 ( -1.079 11.864 0.550) 11.925 8.410 ( -5.746 10.519 0.368) 11.992 11.429 ( 12.582 -13.447 -0.091) 18.416 13.600 ( -9.600 -13.646 -2.370) 16.852 13.844 ( -7.253 -9.597 1.255) 12.095 16.009 ( 11.587 1.126 0.029) 11.642 18.277 ( -3.673 -2.681 0.111) 4.549 19.276 ( -8.614 -3.115 -0.105) 9.161 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 9.971 2.745 -0.119) 10.343 2.833 ( 6.936 3.570 -0.081) 7.802 2.885 ( 1.294 2.077 0.003) 2.447 2.924 ( -1.044 1.320 0.002) 1.683 3.612 ( -1.560 5.396 0.468) 5.636 3.742 ( -3.152 3.046 -0.231) 4.390 4.423 ( 23.940 4.556 0.389) 24.373 4.988 ( -1.666 6.613 -0.078) 6.820 5.533 ( -2.392 2.210 0.797) 3.353 6.246 ( 20.260 -1.282 -0.195) 20.302 7.767 ( -2.602 8.045 0.344) 8.463 8.350 ( -11.134 6.533 0.150) 12.910 11.622 ( 21.684 -7.695 -0.084) 23.009 13.241 ( -16.082 -11.577 -1.193) 19.852 13.646 ( -8.869 -3.887 0.539) 9.699 16.295 ( 18.716 3.540 0.029) 19.048 18.141 ( -7.850 -4.989 0.103) 9.302 19.035 ( -16.193 -2.775 -0.112) 16.430 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -0.354 1.320 0.446) 1.437 2.905 ( -0.934 -0.259 -0.517) 1.099 2.999 ( 11.463 1.649 -0.115) 11.581 3.031 ( 9.887 2.149 0.140) 10.119 3.614 ( -2.863 2.370 0.201) 3.723 3.692 ( -4.834 0.696 -0.123) 4.885 4.826 ( 16.227 3.525 0.263) 16.607 5.005 ( 0.790 -1.172 0.066) 1.415 5.605 ( 7.543 5.637 0.237) 9.419 6.598 ( 21.674 -0.375 -0.183) 21.678 7.761 ( -4.387 2.765 0.175) 5.189 8.171 ( -15.059 2.812 0.056) 15.319 11.972 ( 23.935 -2.045 -0.062) 24.022 12.875 ( -15.313 -6.902 -0.406) 16.801 13.466 ( -9.692 -0.860 0.155) 9.731 16.688 ( 22.155 5.066 0.023) 22.727 17.934 ( -9.406 -5.880 0.043) 11.092 18.685 ( -22.063 -1.964 -0.062) 22.150 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -1.392 0.000 0.000) 1.392 2.904 ( 0.386 -0.000 -0.000) 0.386 3.199 ( 10.691 -0.000 -0.000) 10.691 3.214 ( 9.916 -0.000 -0.000) 9.916 3.562 ( -4.372 0.000 0.000) 4.372 3.597 ( -6.355 0.000 0.000) 6.355 4.984 ( 0.407 -0.000 -0.000) 0.407 5.027 ( 4.144 -0.000 -0.000) 4.144 5.867 ( 16.559 -0.000 -0.000) 16.559 6.942 ( 18.062 -0.000 -0.000) 18.062 7.688 ( -4.678 0.000 0.000) 4.678 7.919 ( -15.326 0.000 0.000) 15.326 12.331 ( 17.435 -0.000 -0.000) 17.435 12.618 ( -10.153 0.000 0.000) 10.153 13.308 ( -8.010 0.000 0.000) 8.010 17.111 ( 23.229 -0.000 -0.000) 23.229 17.756 ( -6.045 0.000 0.000) 6.045 18.267 ( -25.621 0.000 0.000) 25.621 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -0.000 2.604 0.061) 2.605 2.681 ( -0.000 3.542 -0.071) 3.543 2.882 ( -0.000 1.731 -0.349) 1.766 2.947 ( -0.000 2.531 0.016) 2.531 3.639 ( -0.000 5.926 0.544) 5.951 3.818 ( -0.000 4.478 -0.203) 4.483 3.912 ( -0.000 4.275 0.340) 4.289 5.061 ( -0.000 11.711 -0.240) 11.714 5.682 ( 0.000 -8.912 1.217) 8.994 5.747 ( -0.000 2.626 -0.236) 2.637 7.818 ( -0.000 9.764 0.298) 9.768 8.547 ( -0.000 7.101 0.196) 7.104 11.200 ( 0.000 -9.880 -0.070) 9.880 13.577 ( -0.000 -8.700 -1.728) 8.870 13.820 ( 0.000 -7.696 0.907) 7.749 15.904 ( -0.000 0.040 0.001) 0.040 18.299 ( 0.000 -0.906 0.207) 0.929 19.323 ( 0.000 -2.487 -0.132) 2.491 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 6.152 1.273 -0.011) 6.282 2.749 ( 4.863 1.762 -0.016) 5.172 2.895 ( 0.022 1.031 -0.140) 1.041 2.954 ( -1.028 0.726 0.006) 1.259 3.678 ( -0.960 3.232 0.242) 3.381 3.815 ( -2.649 1.825 -0.093) 3.218 4.102 ( 16.519 2.383 0.177) 16.691 5.116 ( -4.786 6.799 -0.094) 8.315 5.567 ( -1.917 -2.916 0.569) 3.536 5.920 ( 15.371 -1.150 -0.073) 15.414 7.877 ( -1.939 5.190 0.140) 5.542 8.547 ( -6.060 3.445 0.072) 6.971 11.247 ( 13.745 -4.836 -0.037) 14.571 13.404 ( -11.691 -5.195 -0.807) 12.819 13.726 ( -4.523 -3.047 0.415) 5.470 16.025 ( 13.469 0.441 -0.011) 13.477 18.241 ( -5.976 -0.986 0.127) 6.058 19.228 ( -8.732 -1.403 -0.084) 8.845 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 10.188 -0.000 -0.000) 10.188 2.866 ( 6.350 -0.000 -0.000) 6.350 2.909 ( 2.301 -0.000 -0.000) 2.301 2.931 ( -1.784 0.000 0.000) 1.784 3.668 ( -1.993 0.000 0.000) 1.993 3.770 ( -3.745 0.000 0.000) 3.745 4.469 ( 23.815 -0.000 -0.000) 23.815 5.056 ( -4.766 0.000 0.000) 4.766 5.557 ( 1.469 -0.000 -0.000) 1.469 6.226 ( 20.911 -0.000 -0.000) 20.911 7.853 ( -3.861 0.000 0.000) 3.861 8.414 ( -11.493 0.000 0.000) 11.493 11.545 ( 23.163 -0.000 -0.000) 23.163 13.123 ( -16.920 0.000 0.000) 16.920 13.610 ( -7.642 0.000 0.000) 7.642 16.331 ( 21.134 -0.000 -0.000) 21.134 18.090 ( -10.479 0.000 0.000) 10.479 19.006 ( -16.453 0.000 0.000) 16.453 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.860 ( -0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 5.216 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.616 ( -0.000 0.000 -0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 0.000) 0.000 13.747 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 18.291 ( 0.000 0.000 0.000) 0.000 19.296 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.037 ( 0.000 -0.000 9.127) 9.127 0.053 ( 0.000 -0.000 8.887) 8.887 0.053 ( 0.000 -0.000 8.887) 8.887 1.911 ( -0.000 0.000 -0.333) 0.333 1.911 ( -0.000 0.000 -0.333) 0.333 3.108 ( 0.000 -0.000 0.067) 0.067 3.108 ( 0.000 -0.000 0.067) 0.067 3.197 ( 0.000 -0.000 0.139) 0.139 4.950 ( -0.000 0.000 -0.020) 0.020 4.950 ( -0.000 0.000 -0.020) 0.020 5.253 ( -0.000 0.000 -0.676) 0.676 8.294 ( 0.000 -0.000 2.702) 2.702 13.419 ( 0.000 -0.000 0.078) 0.078 13.419 ( 0.000 -0.000 0.078) 0.078 15.936 ( -0.000 0.000 -0.049) 0.049 15.936 ( -0.000 0.000 -0.049) 0.049 16.665 ( 0.000 -0.000 3.726) 3.726 19.462 ( -0.000 0.000 -4.105) 4.105 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 18.495 10.678 1.207) 21.390 0.565 ( 24.589 14.197 0.448) 28.397 0.968 ( 41.108 23.734 1.004) 47.479 1.949 ( 3.287 1.898 -0.311) 3.808 2.065 ( 12.401 7.160 0.047) 14.320 3.059 ( -5.916 -3.415 -0.125) 6.832 3.131 ( 2.036 1.175 0.054) 2.351 3.549 ( 17.109 9.878 -4.495) 20.260 4.845 ( -5.263 -3.039 0.268) 6.083 4.990 ( 3.385 1.954 0.127) 3.910 5.388 ( 19.132 11.046 2.153) 22.196 8.223 ( -5.979 -3.452 1.914) 7.165 13.338 ( -7.118 -4.110 -0.009) 8.220 15.803 ( -11.264 -6.503 -1.572) 13.101 15.933 ( -0.225 -0.130 -0.063) 0.267 15.985 ( -7.237 -4.178 -50.279) 50.969 17.436 ( 49.950 28.839 -44.501) 72.849 18.690 ( -11.079 -6.396 39.217) 41.251 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 25.309 14.612 0.489) 29.229 1.104 ( 22.989 13.273 0.287) 26.547 1.833 ( 34.828 20.108 0.060) 40.216 2.050 ( 5.566 3.214 -0.318) 6.435 2.405 ( 16.474 9.512 0.701) 19.036 2.960 ( -2.825 -1.631 0.097) 3.263 3.199 ( 4.014 2.317 0.128) 4.636 3.990 ( 22.740 13.129 -2.018) 26.335 4.745 ( -3.686 -2.128 -0.407) 4.276 5.097 ( 5.926 3.422 0.135) 6.845 5.928 ( 27.184 15.695 1.014) 31.406 8.052 ( -8.972 -5.180 2.598) 10.681 13.105 ( -13.340 -7.702 -0.082) 15.404 15.450 ( -18.314 -10.573 0.104) 21.147 15.606 ( -17.040 -9.838 -14.023) 24.162 15.926 ( -0.378 -0.218 -0.071) 0.442 18.164 ( 20.362 11.756 -11.251) 26.065 18.765 ( 10.878 6.280 8.361) 15.089 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 26.237 15.148 0.448) 30.300 1.593 ( 20.085 11.596 0.401) 23.196 2.188 ( 6.524 3.767 -0.362) 7.542 2.508 ( 24.181 13.961 -1.206) 27.948 2.774 ( 15.523 8.962 1.421) 17.980 2.937 ( 1.433 0.827 0.284) 1.679 3.311 ( 5.816 3.358 0.305) 6.723 4.533 ( 20.782 11.998 -1.899) 24.072 4.704 ( 4.606 2.659 0.611) 5.354 5.248 ( 7.200 4.157 -0.003) 8.314 6.561 ( 27.590 15.929 0.844) 31.870 7.856 ( -8.138 -4.698 3.128) 9.903 12.749 ( -17.885 -10.326 -0.130) 20.653 15.030 ( -18.721 -10.809 1.579) 21.675 15.179 ( -18.897 -10.910 -7.225) 22.986 15.917 ( -0.407 -0.235 -0.073) 0.475 18.394 ( 4.166 2.405 -0.461) 4.833 19.088 ( 13.668 7.891 -0.592) 15.794 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 23.636 13.647 0.465) 27.297 2.003 ( 16.069 9.277 0.528) 18.562 2.334 ( 6.348 3.665 -0.446) 7.343 2.818 ( 4.283 2.473 -1.771) 5.252 3.088 ( 11.713 6.763 1.589) 13.618 3.130 ( 15.286 8.825 0.348) 17.654 3.460 ( 7.226 4.172 0.536) 8.361 4.635 ( 1.435 0.829 -1.126) 2.003 5.202 ( 25.284 14.598 1.046) 29.214 5.412 ( 7.127 4.114 -0.217) 8.232 7.109 ( 18.812 10.861 1.144) 21.752 7.754 ( 0.825 0.476 2.401) 2.583 12.316 ( -20.033 -11.566 -0.148) 23.133 14.616 ( -18.121 -10.462 -0.463) 20.930 14.739 ( -18.777 -10.841 -2.272) 21.801 15.908 ( -0.309 -0.179 -0.066) 0.363 18.429 ( -0.333 -0.192 0.483) 0.617 19.310 ( 6.110 3.527 -1.008) 7.126 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 11.447 6.609 0.649) 13.234 2.451 ( 17.905 10.337 0.422) 20.679 2.467 ( 5.409 3.123 -0.588) 6.273 2.866 ( 1.527 0.882 -1.305) 2.194 3.315 ( 8.347 4.819 1.419) 9.742 3.457 ( 12.673 7.317 -0.193) 14.635 3.632 ( 7.709 4.451 0.697) 8.928 4.710 ( 5.515 3.184 -0.594) 6.396 5.560 ( 5.973 3.448 -0.388) 6.908 5.664 ( 13.837 7.989 1.729) 16.071 7.376 ( 7.732 4.464 1.840) 9.116 7.962 ( 14.757 8.520 0.424) 17.045 11.867 ( -19.228 -11.101 -0.138) 22.203 14.212 ( -17.144 -9.898 -3.354) 20.078 14.345 ( -15.873 -9.164 1.793) 18.416 15.903 ( -0.148 -0.085 -0.051) 0.178 18.400 ( -2.041 -1.178 0.429) 2.395 19.374 ( 0.262 0.151 -0.786) 0.843 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 6.733 3.887 0.817) 7.818 2.574 ( 4.249 2.453 -0.799) 4.971 2.764 ( 9.564 5.522 0.516) 11.055 2.896 ( 1.365 0.788 -1.204) 1.984 3.488 ( 7.136 4.120 1.035) 8.305 3.691 ( 8.139 4.699 -0.248) 9.402 3.798 ( 6.598 3.809 0.643) 7.645 4.876 ( 8.967 5.177 -0.263) 10.358 5.675 ( 4.180 2.413 -0.405) 4.843 5.804 ( -1.075 -0.620 1.934) 2.298 7.593 ( 11.366 6.562 1.044) 13.166 8.284 ( 12.337 7.123 -0.059) 14.245 11.472 ( -15.251 -8.805 -0.110) 17.611 13.852 ( -13.744 -7.935 -2.986) 16.149 14.038 ( -11.519 -6.651 1.950) 13.443 15.901 ( -0.015 -0.008 -0.028) 0.032 18.350 ( -2.232 -1.288 0.330) 2.598 19.345 ( -2.233 -1.289 -0.505) 2.627 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 2.340 1.351 0.146) 2.705 2.659 ( 3.029 1.749 -0.155) 3.501 2.899 ( 3.037 1.753 0.942) 3.631 2.921 ( 0.927 0.535 -1.291) 1.677 3.634 ( 5.108 2.949 0.517) 5.921 3.824 ( 3.803 2.196 -0.166) 4.395 3.918 ( 3.773 2.178 0.340) 4.370 5.094 ( 9.859 5.692 -0.269) 11.388 5.688 ( -7.945 -4.587 1.244) 9.258 5.746 ( 2.146 1.239 -0.236) 2.489 7.837 ( 8.744 5.048 0.306) 10.101 8.493 ( 6.132 3.540 0.165) 7.082 11.200 ( -8.464 -4.887 -0.070) 9.774 13.603 ( -7.552 -4.360 -1.656) 8.876 13.839 ( -6.221 -3.592 0.858) 7.235 15.902 ( 0.032 0.018 0.001) 0.037 18.308 ( -1.404 -0.811 0.204) 1.634 19.293 ( -1.876 -1.083 -0.131) 2.170 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -0.082 -0.048 -0.415) 0.426 2.695 ( 0.084 0.049 0.399) 0.411 2.924 ( -0.419 -0.242 -0.941) 1.058 2.938 ( 0.530 0.306 0.993) 1.167 3.695 ( -0.114 -0.066 0.089) 0.158 3.866 ( 0.028 0.016 -0.072) 0.079 3.961 ( -0.105 -0.061 -0.080) 0.145 5.246 ( 0.061 0.035 -0.411) 0.417 5.550 ( -0.412 -0.238 0.058) 0.479 5.770 ( 0.065 0.038 0.021) 0.078 7.941 ( -0.122 -0.070 -0.300) 0.332 8.564 ( 0.099 0.057 0.723) 0.733 11.103 ( 0.018 0.010 -0.019) 0.028 13.518 ( 0.357 0.206 -0.427) 0.593 13.766 ( -0.266 -0.153 -0.252) 0.397 15.902 ( 0.005 0.003 0.030) 0.031 18.291 ( -0.074 -0.043 -0.007) 0.086 19.272 ( 0.102 0.059 0.323) 0.344 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -2.596 -1.499 -0.739) 3.087 2.665 ( -2.773 -1.601 0.730) 3.284 2.892 ( -2.694 -1.555 -0.308) 3.126 2.933 ( -1.066 -0.615 0.779) 1.456 3.629 ( -5.354 -3.091 -0.272) 6.188 3.825 ( -3.754 -2.167 -0.019) 4.335 3.914 ( -3.934 -2.271 -0.401) 4.560 5.092 ( -9.914 -5.724 -0.582) 11.463 5.674 ( 7.465 4.310 -0.999) 8.678 5.748 ( -2.054 -1.186 0.192) 2.380 7.831 ( -8.963 -5.175 -0.693) 10.373 8.500 ( -6.042 -3.488 1.176) 7.075 11.201 ( 8.499 4.907 0.047) 9.814 13.617 ( 8.281 4.781 0.676) 9.586 13.827 ( 5.718 3.302 -1.177) 6.707 15.902 ( -0.023 -0.013 0.054) 0.060 18.305 ( 1.258 0.726 -0.350) 1.494 19.299 ( 2.055 1.186 0.784) 2.499 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -6.577 -3.797 -0.548) 7.614 2.582 ( -4.410 -2.546 0.559) 5.122 2.765 ( -9.466 -5.465 0.548) 10.944 2.904 ( -1.373 -0.793 0.193) 1.597 3.479 ( -7.328 -4.231 -0.492) 8.476 3.692 ( -8.111 -4.683 -0.020) 9.366 3.791 ( -6.649 -3.839 -0.477) 7.692 4.873 ( -8.807 -5.085 -0.697) 10.193 5.678 ( -4.172 -2.409 0.164) 4.820 5.782 ( 0.864 0.499 -1.508) 1.808 7.581 ( -11.664 -6.734 -0.884) 13.497 8.293 ( -12.437 -7.180 1.342) 14.423 11.474 ( 15.281 8.823 0.125) 17.646 13.878 ( 14.124 8.154 1.045) 16.342 14.018 ( 11.471 6.623 -1.177) 13.297 15.902 ( 0.020 0.012 0.068) 0.072 18.343 ( 2.100 1.212 -0.831) 2.563 19.355 ( 2.340 1.351 1.145) 2.935 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -11.353 -6.554 -0.032) 13.109 2.453 ( -18.035 -10.413 0.542) 20.832 2.471 ( -5.504 -3.178 0.093) 6.357 2.874 ( -1.353 -0.781 0.185) 1.574 3.304 ( -8.441 -4.873 -0.391) 9.754 3.457 ( -12.739 -7.355 -0.079) 14.710 3.625 ( -7.660 -4.422 -0.326) 8.851 4.711 ( -5.188 -2.995 -0.451) 6.007 5.563 ( -6.032 -3.482 -0.030) 6.965 5.643 ( -13.672 -7.894 -1.632) 15.872 7.358 ( -7.918 -4.572 -1.050) 9.203 7.968 ( -15.233 -8.795 1.387) 17.644 11.869 ( 19.246 11.112 0.198) 22.224 14.221 ( 15.833 9.141 -2.106) 18.403 14.348 ( 17.681 10.208 2.570) 20.577 15.904 ( 0.150 0.087 0.068) 0.186 18.389 ( 1.980 1.143 -1.336) 2.648 19.387 ( -0.277 -0.160 1.233) 1.274 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -23.719 -13.694 0.401) 27.391 2.002 ( -16.024 -9.251 0.320) 18.506 2.336 ( -6.371 -3.678 -0.147) 7.358 2.830 ( -3.815 -2.202 0.439) 4.427 3.077 ( -11.942 -6.895 -0.255) 13.792 3.126 ( -15.554 -8.980 -0.230) 17.962 3.456 ( -7.142 -4.123 -0.091) 8.247 4.642 ( -0.972 -0.561 0.016) 1.123 5.184 ( -25.151 -14.521 -1.677) 29.090 5.411 ( -7.200 -4.157 -0.263) 8.318 7.099 ( -18.267 -10.547 -0.451) 21.098 7.745 ( -1.849 -1.068 0.935) 2.331 12.318 ( 20.032 11.565 0.246) 23.132 14.586 ( 17.256 9.963 -4.662) 20.464 14.795 ( 20.480 11.824 5.897) 24.373 15.909 ( 0.308 0.178 0.054) 0.359 18.417 ( 0.597 0.344 -1.380) 1.542 19.320 ( -6.422 -3.708 0.573) 7.437 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -26.258 -15.160 0.412) 30.323 1.594 ( -20.051 -11.577 0.636) 23.162 2.189 ( -6.511 -3.759 -0.275) 7.524 2.516 ( -24.660 -14.237 0.118) 28.475 2.766 ( -15.371 -8.875 0.147) 17.750 2.933 ( -1.218 -0.703 -0.120) 1.412 3.309 ( -5.757 -3.324 0.086) 6.648 4.546 ( -23.130 -13.354 0.270) 26.710 4.689 ( -1.722 -0.994 -1.808) 2.688 5.246 ( -7.236 -4.178 -0.405) 8.365 6.560 ( -27.476 -15.863 0.593) 31.732 7.841 ( 7.869 4.543 0.633) 9.108 12.751 ( 17.862 10.313 0.256) 20.627 14.983 ( 18.861 10.890 -5.912) 22.567 15.272 ( 20.364 11.757 7.685) 24.739 15.917 ( 0.404 0.233 0.029) 0.467 18.402 ( -2.044 -1.180 0.859) 2.512 19.075 ( -15.570 -8.989 -2.611) 18.167 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -25.365 -14.645 0.490) 29.294 1.108 ( -22.987 -13.271 0.958) 26.560 1.832 ( -35.140 -20.288 -0.218) 40.576 2.050 ( -5.526 -3.191 -0.340) 6.390 2.403 ( -16.341 -9.435 0.369) 18.873 2.958 ( 2.839 1.639 0.068) 3.279 3.199 ( -4.000 -2.309 0.148) 4.621 3.994 ( -22.293 -12.871 -1.342) 25.776 4.744 ( 3.722 2.149 -0.623) 4.343 5.094 ( -5.897 -3.405 -0.387) 6.820 5.932 ( -27.189 -15.698 1.599) 31.436 8.041 ( 8.945 5.165 0.797) 10.360 13.107 ( 13.297 7.677 0.226) 15.355 15.405 ( 19.252 11.115 -7.412) 23.434 15.736 ( 19.616 11.325 6.958) 23.695 15.927 ( 0.375 0.217 -0.000) 0.433 18.308 ( -9.780 -5.647 10.993) 15.760 18.621 ( -20.465 -11.815 -14.087) 27.511 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 21.032 3.340) 21.296 0.582 ( -0.000 28.252 2.093) 28.330 0.961 ( -0.000 47.583 0.247) 47.583 1.945 ( -0.000 3.692 -0.635) 3.747 2.069 ( -0.000 14.476 0.338) 14.480 3.057 ( 0.000 -6.712 -0.392) 6.723 3.132 ( -0.000 2.404 0.187) 2.411 3.532 ( -0.000 19.865 -5.749) 20.680 4.837 ( 0.000 -6.130 -0.372) 6.141 4.986 ( -0.000 3.742 -0.231) 3.749 5.416 ( 0.000 22.133 4.415) 22.569 8.227 ( 0.000 -6.839 2.493) 7.280 13.340 ( 0.000 -8.129 0.207) 8.131 15.677 ( -0.000 -9.395 -29.440) 30.903 15.933 ( -0.000 -0.254 -0.070) 0.263 16.031 ( -0.000 0.505 -28.156) 28.160 17.404 ( -0.000 66.441 -40.514) 77.819 18.685 ( 0.000 -24.023 34.301) 41.876 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 13.296 24.025 2.099) 27.539 1.003 ( 13.757 25.367 0.974) 28.874 1.602 ( 21.241 36.183 0.108) 41.957 2.018 ( 3.288 5.283 -0.602) 6.251 2.307 ( 8.992 15.963 0.833) 18.341 2.976 ( -2.192 -3.870 -0.158) 4.450 3.188 ( 2.521 4.573 0.221) 5.226 3.834 ( 12.313 19.979 -3.543) 23.735 4.758 ( -2.213 -4.558 -0.708) 5.116 5.079 ( 4.081 6.333 -0.281) 7.539 5.774 ( 13.262 25.450 2.683) 28.824 8.112 ( -4.973 -8.344 3.096) 10.195 13.196 ( -6.202 -10.392 0.118) 12.102 15.503 ( -0.437 -20.889 -15.935) 26.276 15.657 ( -18.377 -9.763 -1.527) 20.865 15.994 ( -2.020 -1.158 -2.240) 3.232 18.089 ( 15.167 41.677 -19.412) 48.413 18.621 ( 6.891 -7.407 12.775) 16.296 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 20.219 22.412 1.406) 30.217 1.481 ( 14.209 22.393 0.602) 26.527 2.145 ( 4.845 6.609 -0.521) 8.211 2.277 ( 22.191 23.547 -0.859) 32.367 2.643 ( 12.361 13.529 1.524) 18.389 2.928 ( -0.245 -1.036 -0.121) 1.072 3.303 ( 3.524 8.304 0.319) 9.027 4.301 ( 20.199 18.921 -1.946) 27.745 4.685 ( -1.211 -3.191 -0.672) 3.478 5.231 ( 4.625 9.561 -0.227) 10.623 6.323 ( 21.503 23.081 1.552) 31.584 7.932 ( -6.973 -7.962 3.804) 11.246 12.932 ( -13.184 -9.874 0.014) 16.472 15.188 ( -9.828 -20.351 -4.789) 23.102 15.227 ( -15.525 -16.810 -3.136) 23.096 15.954 ( -2.149 1.143 0.243) 2.446 18.460 ( -1.496 16.402 -1.878) 16.577 18.860 ( 19.096 3.890 -1.137) 19.522 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 21.221 19.352 1.155) 28.743 1.907 ( 12.103 18.579 0.582) 22.182 2.296 ( 4.838 7.334 -0.547) 8.803 2.736 ( 10.264 8.008 -2.337) 13.227 2.969 ( 11.658 9.567 2.136) 15.232 2.998 ( 9.025 7.137 0.313) 11.511 3.466 ( 3.441 12.525 0.497) 12.998 4.617 ( 0.863 0.152 -1.582) 1.809 4.886 ( 23.974 12.284 0.493) 26.943 5.421 ( 4.903 13.440 -0.380) 14.311 6.902 ( 21.199 17.893 0.996) 27.759 7.767 ( -4.154 -5.561 3.809) 7.918 12.569 ( -19.045 -7.786 -0.066) 20.575 14.776 ( -16.461 -15.842 -1.323) 22.884 14.811 ( -10.521 -22.282 -2.546) 24.772 15.943 ( -1.438 2.538 0.337) 2.936 18.503 ( -4.691 6.854 -0.140) 8.307 19.161 ( 12.688 0.400 -1.240) 12.755 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 10.490 13.765 0.347) 17.310 2.264 ( 16.846 15.484 1.281) 22.917 2.443 ( 3.942 7.606 -0.609) 8.589 2.838 ( 2.256 0.693 -1.850) 2.999 3.219 ( 9.109 5.679 1.763) 10.878 3.312 ( 13.306 9.133 -0.146) 16.139 3.659 ( 2.482 16.024 0.681) 16.229 4.653 ( 3.689 1.611 -0.988) 4.145 5.331 ( 17.343 1.683 0.904) 17.448 5.680 ( 6.876 19.221 -0.199) 20.415 7.305 ( 8.789 8.604 1.631) 12.407 7.788 ( 10.895 1.897 1.927) 11.226 12.154 ( -22.183 -4.676 -0.116) 22.670 14.338 ( -14.684 -17.888 -4.555) 23.587 14.430 ( -10.642 -18.539 2.393) 21.510 15.954 ( -1.699 4.841 0.214) 5.135 18.459 ( -5.229 1.950 -0.103) 5.581 19.291 ( 6.163 -5.008 -0.643) 7.967 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 5.509 10.609 0.639) 11.971 2.562 ( 2.807 7.026 -0.629) 7.592 2.650 ( 11.737 9.132 0.892) 14.898 2.872 ( 1.811 0.465 -1.538) 2.421 3.404 ( 7.554 3.712 1.356) 8.525 3.579 ( 9.923 5.144 -0.359) 11.183 3.854 ( 0.653 17.697 0.714) 17.723 4.775 ( 7.601 3.743 -0.600) 8.494 5.532 ( 8.864 -2.934 0.764) 9.368 5.928 ( -0.325 15.148 0.525) 15.161 7.483 ( 8.064 5.681 1.481) 9.975 8.090 ( 16.593 4.030 0.434) 17.080 11.750 ( -21.804 -0.643 -0.123) 21.813 13.929 ( -11.613 -17.875 -3.504) 21.603 14.109 ( -8.577 -14.402 2.088) 16.892 15.978 ( -2.872 7.816 0.102) 8.328 18.377 ( -3.990 -2.076 0.014) 4.498 19.294 ( 2.565 -8.008 -0.373) 8.417 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.886 7.573 0.406) 7.635 2.660 ( 1.638 6.601 -0.461) 6.817 2.852 ( 5.264 3.067 1.027) 6.179 2.903 ( 1.494 0.522 -1.366) 2.091 3.562 ( 6.786 2.953 0.767) 7.441 3.746 ( 6.210 1.478 -0.267) 6.389 4.016 ( -2.220 17.199 0.493) 17.349 4.964 ( 9.838 3.684 -0.411) 10.514 5.601 ( 3.802 -5.185 0.908) 6.493 5.965 ( -9.454 12.493 0.256) 15.669 7.714 ( 11.097 5.100 0.552) 12.225 8.359 ( 11.900 0.472 0.336) 11.914 11.427 ( -17.839 4.186 -0.089) 18.323 13.604 ( -5.884 -16.155 -2.133) 17.325 13.875 ( -5.246 -9.825 1.038) 11.186 16.006 ( -4.631 10.571 0.028) 11.541 18.295 ( -1.347 -4.918 0.111) 5.100 19.244 ( 1.898 -8.775 -0.106) 8.978 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -1.966 5.773 -0.431) 6.113 2.729 ( -0.856 5.215 0.400) 5.300 2.920 ( 0.924 -0.282 -0.539) 1.106 2.923 ( 1.266 0.556 0.467) 1.460 3.671 ( 3.223 0.616 0.307) 3.296 3.821 ( 2.867 -1.357 -0.156) 3.176 4.106 ( -6.125 15.223 0.122) 16.409 5.141 ( 8.137 -1.285 -0.446) 8.250 5.570 ( -1.684 -3.037 0.547) 3.516 5.922 ( -8.975 12.879 -0.105) 15.698 7.897 ( 5.556 0.819 -0.140) 5.617 8.497 ( 5.973 -3.315 0.748) 6.872 11.246 ( -10.953 9.402 -0.033) 14.435 13.425 ( 2.181 -12.654 -1.055) 12.884 13.749 ( -0.842 -5.564 0.079) 5.628 16.024 ( -6.342 12.031 0.003) 13.600 18.245 ( 1.711 -5.862 0.076) 6.107 19.203 ( 3.366 -8.054 0.252) 8.733 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -4.262 4.529 -0.659) 6.253 2.732 ( -3.835 3.468 0.663) 5.213 2.908 ( -1.061 -1.120 -0.566) 1.644 2.938 ( 0.026 -0.578 0.784) 0.974 3.668 ( -2.474 -2.630 -0.000) 3.611 3.822 ( -0.195 -3.115 -0.106) 3.123 4.103 ( -10.394 12.767 -0.201) 16.465 5.140 ( -2.991 -7.776 -0.563) 8.350 5.560 ( 2.756 -0.336 -0.376) 2.802 5.923 ( -6.683 14.196 -0.028) 15.690 7.892 ( -3.828 -4.596 -0.598) 6.012 8.502 ( 0.128 -6.704 1.231) 6.817 11.247 ( -2.616 14.227 0.028) 14.466 13.435 ( 10.890 -7.720 -0.070) 13.349 13.740 ( 4.484 -2.419 -0.811) 5.159 16.024 ( -7.226 11.519 0.032) 13.598 18.242 ( 4.011 -4.521 -0.161) 6.046 19.208 ( 5.579 -6.787 0.665) 8.811 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -7.277 3.000 -0.662) 7.898 2.673 ( -6.306 1.983 0.675) 6.645 2.847 ( -4.867 -2.922 0.291) 5.684 2.916 ( -1.298 -1.218 0.227) 1.794 3.552 ( -6.342 -4.525 -0.226) 7.794 3.748 ( -4.311 -4.561 -0.089) 6.276 4.008 ( -13.967 10.466 -0.325) 17.456 4.959 ( -8.035 -6.637 -0.846) 10.456 5.587 ( 2.780 -6.109 -0.473) 6.728 5.959 ( -6.805 14.543 -0.398) 16.061 7.701 ( -10.316 -7.273 -0.743) 12.644 8.371 ( -6.348 -10.098 1.453) 12.016 11.429 ( 5.332 17.591 0.091) 18.382 13.635 ( 18.089 -2.484 0.941) 18.283 13.849 ( 10.378 -0.703 -1.599) 10.524 16.006 ( -6.832 9.280 0.097) 11.524 18.288 ( 4.730 -1.344 -0.606) 4.954 19.256 ( 6.872 -5.946 1.046) 9.147 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -11.861 0.930 -0.087) 11.898 2.569 ( -7.747 0.498 0.039) 7.763 2.651 ( -13.655 -5.586 0.714) 14.771 2.883 ( -1.124 -1.285 -0.042) 1.708 3.389 ( -7.250 -4.774 -0.216) 8.684 3.581 ( -9.418 -5.962 -0.095) 11.147 3.845 ( -15.693 8.362 -0.215) 17.783 4.773 ( -6.684 -4.470 -0.808) 8.082 5.519 ( -1.673 -9.737 -0.468) 9.891 5.915 ( -13.308 8.630 -0.774) 15.880 7.460 ( -9.439 -4.467 -0.757) 10.470 8.102 ( -12.095 -12.579 1.555) 17.520 11.753 ( 11.479 18.591 0.151) 21.850 13.978 ( 21.129 2.354 0.709) 21.272 14.071 ( 17.530 -0.777 -0.984) 17.575 15.979 ( -5.335 6.310 0.165) 8.265 18.365 ( 3.619 2.517 -1.167) 4.560 19.310 ( 5.755 -6.263 1.263) 8.599 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -16.909 -0.534 0.289) 16.920 2.259 ( -22.063 -8.767 0.355) 23.743 2.448 ( -8.712 0.391 -0.090) 8.721 2.851 ( -1.314 -1.481 0.061) 1.980 3.203 ( -9.606 -5.128 -0.007) 10.889 3.311 ( -14.846 -6.999 -0.134) 16.414 3.652 ( -15.061 5.994 0.016) 16.209 4.659 ( -2.745 -2.068 -0.526) 3.477 5.313 ( -10.400 -14.365 -0.828) 17.754 5.675 ( -19.708 4.279 -0.679) 20.179 7.282 ( -11.259 -2.947 -0.685) 11.658 7.787 ( -8.533 -9.488 1.732) 12.877 12.157 ( 15.147 16.843 0.193) 22.653 14.339 ( 18.828 4.272 -4.254) 19.769 14.452 ( 26.333 -0.284 4.410) 26.701 15.954 ( -3.337 3.703 0.214) 4.990 18.444 ( 0.889 5.908 -1.541) 6.170 19.308 ( 1.157 -8.024 1.049) 8.174 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -27.388 -9.003 0.342) 28.831 1.906 ( -22.073 -1.307 0.515) 22.117 2.299 ( -8.810 -0.429 -0.286) 8.825 2.756 ( -11.971 -5.013 0.003) 12.978 2.951 ( -14.049 -5.323 0.327) 15.027 2.992 ( -10.936 -4.191 -0.123) 11.712 3.463 ( -12.504 3.339 0.177) 12.943 4.635 ( 0.778 -0.173 -0.042) 0.798 4.865 ( -23.358 -14.289 -1.481) 27.422 5.420 ( -14.157 2.667 -0.479) 14.414 6.894 ( -25.822 -9.307 0.232) 27.449 7.743 ( 6.204 0.083 1.438) 6.369 12.572 ( 16.267 12.483 0.198) 20.505 14.714 ( 21.143 5.383 -5.526) 22.506 14.915 ( 27.021 -0.980 5.751) 27.643 15.942 ( -1.423 2.237 0.261) 2.664 18.496 ( -2.821 8.293 -0.879) 8.803 19.169 ( -7.492 -10.901 -0.369) 13.233 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -29.528 -6.757 0.381) 30.294 1.481 ( -26.435 -1.558 0.627) 26.488 2.147 ( -8.175 -0.705 -0.335) 8.213 2.282 ( -31.970 -7.534 -0.251) 32.846 2.634 ( -17.674 -4.028 0.560) 18.136 2.926 ( 1.156 -0.216 0.125) 1.182 3.302 ( -8.908 1.021 0.198) 8.968 4.309 ( -26.341 -7.559 -1.059) 27.425 4.686 ( 3.741 0.148 -0.736) 3.816 5.229 ( -10.679 1.142 -0.381) 10.747 6.318 ( -30.731 -7.760 1.030) 31.712 7.909 ( 10.373 1.707 1.509) 10.620 12.933 ( 15.147 6.278 0.157) 16.397 15.136 ( 22.431 7.928 -7.241) 24.868 15.345 ( 25.372 -5.333 5.602) 26.525 15.955 ( 0.452 2.173 0.330) 2.244 18.510 ( -6.071 10.116 3.242) 12.236 18.818 ( -19.810 -13.497 -5.426) 24.577 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.000 28.935 2.601) 29.052 1.125 ( -0.000 26.373 1.647) 26.424 1.828 ( -0.000 40.395 -0.330) 40.396 2.043 ( -0.000 6.353 -0.816) 6.405 2.413 ( -0.000 19.113 1.281) 19.156 2.958 ( -0.000 -3.238 -0.419) 3.265 3.202 ( -0.000 4.672 0.338) 4.685 3.962 ( -0.000 26.499 -3.765) 26.765 4.732 ( -0.000 -4.508 -1.094) 4.639 5.089 ( -0.000 6.708 -0.414) 6.721 5.962 ( 0.000 30.704 3.233) 30.874 8.069 ( 0.000 -9.959 3.762) 10.646 13.109 ( 0.000 -15.335 0.237) 15.337 15.287 ( -0.000 -19.296 -11.591) 22.510 15.764 ( -0.000 -17.988 -1.967) 18.096 15.926 ( -0.000 -0.419 -0.071) 0.425 18.314 ( -0.000 30.864 -11.800) 33.043 18.549 ( 0.000 5.998 4.334) 7.400 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 8.700 28.772 2.323) 30.148 1.492 ( 11.427 23.674 1.135) 26.312 2.141 ( 3.611 7.359 -0.754) 8.232 2.275 ( 9.341 31.090 -1.012) 32.479 2.648 ( 5.354 17.559 1.810) 18.447 2.926 ( -0.687 -0.841 -0.505) 1.198 3.306 ( 5.323 7.289 0.440) 9.036 4.287 ( 7.199 27.279 -2.478) 28.322 4.673 ( -1.486 -3.569 -1.130) 4.027 5.224 ( 6.411 8.549 -0.545) 10.699 6.338 ( 8.097 29.987 2.271) 31.144 7.946 ( -3.799 -9.533 4.406) 11.168 12.935 ( -2.231 -16.236 0.168) 16.389 15.045 ( -3.587 -21.170 -7.230) 22.656 15.378 ( -18.035 -18.199 -0.162) 25.622 15.960 ( 1.893 -1.284 0.506) 2.342 18.539 ( 11.175 -3.649 1.102) 11.807 18.746 ( 0.112 28.879 -5.777) 29.451 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 14.212 25.169 1.931) 28.968 1.912 ( 11.462 20.575 0.765) 23.565 2.292 ( 5.027 8.389 -0.679) 9.804 2.673 ( 8.385 14.785 -2.452) 17.173 2.917 ( 7.529 13.221 2.321) 15.390 2.958 ( 3.901 6.313 0.021) 7.421 3.517 ( 7.353 13.031 0.576) 14.973 4.612 ( -0.409 0.990 -1.755) 2.056 4.711 ( 12.730 18.328 -0.131) 22.315 5.449 ( 7.885 12.913 -0.685) 15.145 6.803 ( 13.967 24.563 1.214) 28.282 7.790 ( -5.059 -7.620 4.608) 10.242 12.714 ( -7.452 -12.585 0.061) 14.626 14.722 ( -7.785 -22.865 -3.897) 24.466 14.882 ( -17.452 -19.655 -0.573) 26.291 15.977 ( 0.465 1.373 1.007) 1.765 18.630 ( 1.166 0.911 -0.997) 1.785 18.989 ( 5.883 9.525 -1.450) 11.288 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 14.781 19.236 1.413) 24.300 2.270 ( 8.712 17.686 0.847) 19.733 2.460 ( 4.426 9.382 -0.650) 10.394 2.806 ( 2.146 1.912 -2.449) 3.776 3.144 ( 7.231 7.687 2.075) 10.755 3.207 ( 10.423 11.842 -0.092) 15.776 3.793 ( 5.367 20.024 0.706) 20.743 4.616 ( 1.783 1.025 -1.212) 2.387 5.095 ( 14.333 8.524 0.821) 16.697 5.743 ( 8.561 18.881 -0.792) 20.747 7.251 ( 12.489 17.211 0.664) 21.275 7.680 ( 0.214 -4.634 3.839) 6.022 12.438 ( -14.297 -5.977 -0.080) 15.497 14.329 ( -10.672 -23.653 -2.755) 26.095 14.430 ( -12.471 -20.191 -0.043) 23.732 16.017 ( 0.562 4.875 0.938) 4.996 18.597 ( -6.199 1.972 -1.351) 6.644 19.112 ( 6.201 -4.630 -0.035) 7.739 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 8.555 12.144 0.308) 14.858 2.572 ( 7.867 14.581 1.634) 16.648 2.616 ( 3.223 9.977 -0.593) 10.502 2.844 ( 1.727 0.873 -1.944) 2.743 3.320 ( 6.748 4.101 1.684) 8.074 3.470 ( 9.311 6.957 -0.469) 11.633 4.070 ( 0.789 24.666 0.771) 24.690 4.699 ( 5.397 3.826 -0.876) 6.673 5.343 ( 10.741 -0.792 1.264) 10.844 6.064 ( 5.160 19.708 -0.509) 20.378 7.468 ( 1.163 7.735 1.642) 7.992 7.827 ( 16.640 1.019 1.220) 16.715 12.126 ( -19.369 1.437 -0.192) 19.423 13.907 ( -11.122 -23.033 -2.193) 25.671 14.074 ( -7.018 -18.845 0.409) 20.113 16.095 ( 0.148 9.267 0.654) 9.291 18.468 ( -8.551 -1.307 -0.880) 8.694 19.122 ( 4.953 -11.832 0.081) 12.827 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 3.174 10.015 0.210) 10.508 2.732 ( 0.036 10.408 -0.451) 10.417 2.803 ( 5.161 6.082 1.370) 8.094 2.878 ( 1.735 0.949 -1.458) 2.457 3.473 ( 7.051 2.939 1.016) 7.706 3.651 ( 6.878 2.293 -0.419) 7.262 4.289 ( -3.892 24.871 0.666) 25.183 4.856 ( 7.326 5.111 -0.564) 8.951 5.472 ( 7.192 -3.398 1.209) 8.046 6.245 ( -5.288 17.139 -0.271) 17.938 7.600 ( 7.273 5.502 0.914) 9.166 8.115 ( 15.776 -1.785 0.552) 15.886 11.832 ( -20.499 8.490 -0.173) 22.189 13.518 ( -7.651 -21.929 -1.543) 23.277 13.826 ( -3.068 -14.770 0.287) 15.088 16.198 ( -1.946 14.218 0.325) 14.354 18.299 ( -6.485 -6.046 -0.375) 8.874 19.068 ( 4.638 -14.732 0.084) 15.445 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -2.097 9.144 -0.735) 9.411 2.815 ( -0.914 8.528 0.603) 8.598 2.891 ( 1.882 0.534 0.585) 2.042 2.914 ( 1.041 1.819 -0.572) 2.172 3.606 ( 5.419 1.125 0.503) 5.557 3.748 ( 4.230 -1.213 -0.267) 4.408 4.423 ( -7.831 22.641 0.394) 23.960 5.009 ( 6.350 1.125 -0.378) 6.460 5.540 ( 3.179 -0.564 0.697) 3.303 6.254 ( -11.526 16.794 -0.284) 20.370 7.784 ( 8.375 1.638 0.105) 8.534 8.306 ( 11.064 -6.028 0.738) 12.621 11.620 ( -17.508 14.846 -0.044) 22.955 13.240 ( -0.401 -19.303 -1.110) 19.339 13.680 ( 0.057 -10.170 0.024) 10.170 16.293 ( -6.042 18.166 0.050) 19.144 18.152 ( -1.124 -9.603 -0.052) 9.669 19.009 ( 5.956 -15.074 0.240) 16.210 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( -4.752 8.177 -0.626) 9.478 2.852 ( -3.584 6.569 0.699) 7.515 2.904 ( 0.304 -1.036 0.041) 1.080 2.936 ( -0.404 1.186 -0.055) 1.255 3.659 ( 0.907 -1.922 0.227) 2.137 3.776 ( 1.913 -3.202 -0.169) 3.734 4.466 ( -11.883 20.164 0.084) 23.406 5.069 ( 2.571 -4.629 -0.359) 5.308 5.563 ( -1.428 1.458 -0.160) 2.047 6.231 ( -10.425 18.295 -0.148) 21.057 7.866 ( 1.823 -3.679 -0.425) 4.127 8.374 ( 5.736 -9.548 1.154) 11.198 11.543 ( -11.446 19.924 0.073) 22.978 13.144 ( 9.128 -14.655 -0.578) 17.275 13.627 ( 3.464 -6.866 -0.471) 7.705 16.333 ( -10.627 18.427 -0.057) 21.272 18.092 ( 5.097 -9.091 -0.039) 10.422 18.987 ( 8.332 -14.028 0.532) 16.324 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -7.252 6.779 -0.493) 9.939 2.824 ( -6.660 5.053 0.641) 8.384 2.882 ( -2.064 -0.921 0.011) 2.260 2.924 ( -1.008 -0.843 0.079) 1.317 3.599 ( -4.113 -4.262 0.075) 5.924 3.750 ( -0.948 -4.177 -0.140) 4.285 4.416 ( -15.984 18.011 -0.064) 24.081 5.005 ( -4.195 -4.992 -0.682) 6.556 5.524 ( -1.656 -3.204 -0.407) 3.630 6.255 ( -8.949 18.483 -0.192) 20.536 7.772 ( -6.048 -6.682 -0.627) 9.035 8.317 ( -0.118 -12.572 1.400) 12.650 11.622 ( -4.042 22.681 0.104) 23.039 13.261 ( 18.137 -9.035 0.303) 20.266 13.662 ( 7.904 -5.233 -1.235) 9.560 16.293 ( -12.701 14.220 0.046) 19.067 18.147 ( 8.668 -3.842 -0.386) 9.489 19.019 ( 10.393 -12.598 0.867) 16.355 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -10.657 3.651 0.181) 11.266 2.733 ( -8.958 3.614 -0.314) 9.665 2.797 ( -7.564 -1.309 0.612) 7.701 2.892 ( -1.370 -1.143 -0.138) 1.789 3.459 ( -6.571 -4.761 0.016) 8.115 3.655 ( -5.329 -4.696 -0.135) 7.104 4.279 ( -19.760 15.901 0.022) 25.363 4.851 ( -7.784 -3.574 -0.886) 8.611 5.449 ( -0.807 -8.109 -0.244) 8.152 6.242 ( -12.519 13.581 -0.442) 18.476 7.577 ( -8.985 -3.954 -0.596) 9.835 8.129 ( -6.461 -14.732 1.465) 16.153 11.836 ( 2.910 22.102 0.088) 22.293 13.562 ( 24.448 -4.647 1.546) 24.934 13.790 ( 13.256 -4.153 -2.255) 14.073 16.196 ( -11.369 8.516 0.230) 14.207 18.290 ( 8.339 2.881 -0.935) 8.872 19.084 ( 10.630 -11.537 1.136) 15.729 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -14.978 -1.690 0.351) 15.077 2.551 ( -16.172 0.703 -0.209) 16.188 2.628 ( -10.640 1.956 0.300) 10.823 2.860 ( -1.258 -0.929 -0.160) 1.572 3.300 ( -7.261 -3.899 0.167) 8.243 3.474 ( -10.755 -4.506 -0.144) 11.662 4.061 ( -21.785 11.729 0.197) 24.742 4.703 ( -5.503 -2.293 -0.744) 6.008 5.321 ( -4.701 -9.744 -0.192) 10.820 6.063 ( -19.607 6.091 -0.552) 20.539 7.434 ( -7.446 2.650 -0.587) 7.925 7.836 ( -10.150 -14.533 1.690) 17.807 12.130 ( 8.395 17.500 0.077) 19.409 13.972 ( 27.183 -4.557 2.704) 27.695 14.028 ( 18.959 -0.324 -3.238) 19.236 16.090 ( -8.145 4.041 0.371) 9.100 18.460 ( 5.363 7.664 -1.395) 9.457 19.139 ( 7.831 -10.844 1.179) 13.428 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -24.455 -3.541 0.223) 24.711 2.264 ( -19.398 1.158 0.303) 19.435 2.466 ( -10.381 0.910 -0.191) 10.422 2.826 ( -2.176 -0.849 -0.224) 2.346 3.123 ( -10.444 -2.468 0.421) 10.740 3.207 ( -15.945 -3.051 -0.054) 16.235 3.786 ( -19.966 5.262 0.282) 20.650 4.629 ( -1.329 -0.666 -0.600) 1.603 5.078 ( -14.328 -7.457 -0.181) 16.154 5.748 ( -20.594 2.568 -0.479) 20.759 7.238 ( -20.569 -1.201 -0.221) 20.605 7.650 ( 2.372 -4.394 1.850) 5.325 12.440 ( 12.263 9.249 0.067) 15.360 14.349 ( 23.842 -0.944 -2.862) 24.032 14.442 ( 26.761 -0.806 2.156) 26.860 16.010 ( -4.521 1.411 0.439) 4.756 18.597 ( 1.379 8.158 -1.309) 8.376 19.123 ( 1.073 -8.874 0.670) 8.964 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -29.111 -0.093 0.281) 29.112 1.905 ( -23.612 -0.147 0.284) 23.614 2.298 ( -9.746 0.065 -0.269) 9.750 2.691 ( -17.428 -0.069 -0.747) 17.444 2.897 ( -14.968 -0.026 0.911) 14.995 2.955 ( -7.404 0.077 0.229) 7.408 3.512 ( -14.886 -0.062 0.236) 14.888 4.632 ( 1.408 -0.453 -1.195) 1.902 4.709 ( -23.483 0.878 0.315) 23.501 5.456 ( -15.245 0.155 -0.286) 15.249 6.793 ( -28.734 -0.068 0.456) 28.738 7.750 ( 8.988 -0.247 1.919) 9.194 12.713 ( 14.581 -0.067 0.026) 14.581 14.772 ( 25.229 3.207 -3.634) 25.690 14.872 ( 25.587 -3.451 1.725) 25.876 15.968 ( -1.337 -0.111 0.428) 1.408 18.637 ( -2.266 0.152 -0.286) 2.289 19.003 ( -9.580 0.206 -0.682) 9.606 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.000 30.070 2.427) 30.168 1.614 ( -0.000 22.953 1.390) 22.995 2.177 ( -0.000 7.523 -0.873) 7.574 2.502 ( -0.000 27.881 -1.681) 27.932 2.788 ( 0.000 18.031 2.156) 18.159 2.932 ( -0.000 1.508 -0.610) 1.627 3.315 ( -0.000 6.695 0.514) 6.715 4.529 ( -0.000 31.458 -1.829) 31.511 4.655 ( -0.000 -2.103 -1.531) 2.602 5.236 ( -0.000 8.290 -0.538) 8.308 6.585 ( -0.000 30.713 2.012) 30.779 7.896 ( 0.000 -8.701 4.825) 9.949 12.755 ( 0.000 -20.644 0.165) 20.645 14.869 ( -0.000 -19.897 -5.441) 20.628 15.355 ( 0.000 -23.106 0.713) 23.117 15.917 ( -0.000 -0.440 -0.057) 0.444 18.408 ( -0.000 -1.089 -0.634) 1.261 19.013 ( -0.000 23.253 -3.312) 23.487 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 5.725 28.025 2.320) 28.698 1.921 ( 9.524 19.662 1.037) 21.872 2.288 ( 4.193 7.873 -0.803) 8.956 2.730 ( 1.599 12.788 -3.005) 13.233 2.980 ( 2.227 14.279 2.618) 14.687 2.992 ( 2.027 11.924 -0.152) 12.096 3.471 ( 9.207 9.227 0.627) 13.050 4.619 ( -0.808 -1.196 -1.220) 1.890 4.844 ( 0.499 28.724 -0.824) 28.740 5.407 ( 9.302 10.727 -0.741) 14.218 6.909 ( 4.495 26.251 1.340) 26.667 7.806 ( -3.274 -5.401 4.774) 7.917 12.575 ( 2.584 -20.361 0.084) 20.524 14.622 ( -5.183 -19.880 -3.770) 20.887 14.972 ( -15.768 -22.737 0.160) 27.670 15.951 ( 3.279 0.026 0.572) 3.329 18.475 ( 8.376 -2.990 -1.316) 8.990 19.154 ( -4.851 14.389 -1.151) 15.228 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 8.777 22.581 1.829) 24.296 2.275 ( 10.566 16.319 0.913) 19.462 2.458 ( 6.104 8.671 -0.671) 10.626 2.801 ( 0.573 2.735 -2.904) 4.030 3.148 ( 3.034 10.163 2.246) 10.841 3.205 ( 5.167 14.784 -0.149) 15.662 3.797 ( 14.533 14.755 0.758) 20.724 4.609 ( 0.250 1.495 -1.205) 1.937 5.084 ( 1.510 16.632 0.618) 16.712 5.734 ( 12.699 16.444 -0.924) 20.797 7.242 ( 8.802 18.078 0.734) 20.121 7.710 ( -5.430 -0.424 4.070) 6.799 12.440 ( 1.733 -15.314 -0.055) 15.411 14.294 ( -10.061 -19.266 -2.324) 21.859 14.460 ( -16.683 -22.909 -0.525) 28.345 16.024 ( 3.602 3.139 1.055) 4.893 18.566 ( 6.406 -5.524 -1.794) 8.647 19.132 ( -7.849 4.287 0.232) 8.946 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 8.124 14.675 0.961) 16.801 2.589 ( 8.434 13.979 1.235) 16.373 2.647 ( 5.326 9.986 -0.518) 11.330 2.827 ( 1.033 1.547 -2.325) 2.978 3.283 ( 3.380 5.929 1.931) 7.093 3.419 ( 5.647 9.587 -0.547) 11.140 4.212 ( 11.969 21.143 0.817) 24.309 4.665 ( 3.441 4.903 -0.966) 6.067 5.226 ( 3.139 4.644 1.317) 5.758 6.115 ( 11.191 18.564 -0.830) 21.692 7.553 ( 10.885 10.326 0.171) 15.005 7.641 ( -4.103 2.660 3.071) 5.775 12.320 ( -3.734 -6.330 -0.289) 7.355 13.898 ( -14.141 -19.453 0.153) 24.050 14.007 ( -9.449 -21.902 -2.085) 23.944 16.144 ( 4.080 7.685 1.051) 8.764 18.551 ( -1.478 -5.921 -1.887) 6.388 19.000 ( -5.572 -6.582 0.807) 8.661 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 5.570 9.039 0.664) 10.638 2.809 ( 3.589 8.947 -0.292) 9.645 2.825 ( 3.097 10.667 0.538) 11.120 2.862 ( 1.762 2.439 -1.235) 3.252 3.401 ( 4.927 3.874 1.252) 6.391 3.574 ( 5.001 3.864 -0.537) 6.343 4.547 ( 2.557 19.770 0.644) 19.945 4.836 ( 5.586 13.590 -0.512) 14.702 5.308 ( 6.684 -3.366 1.348) 7.604 6.431 ( 4.386 17.772 -0.695) 18.318 7.625 ( -2.834 7.607 1.289) 8.220 7.827 ( 14.912 -1.480 0.608) 14.998 12.185 ( -10.663 3.990 -0.466) 11.395 13.469 ( -12.403 -21.002 0.438) 24.394 13.709 ( -2.979 -17.476 -1.570) 17.797 16.316 ( 3.998 13.000 0.772) 13.623 18.392 ( -9.473 -6.048 -1.328) 11.317 18.848 ( 0.855 -15.731 0.656) 15.768 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 2.536 2.974 0.923) 4.016 2.878 ( 0.975 1.539 -1.115) 2.136 2.943 ( -0.379 10.387 -0.316) 10.398 2.961 ( 0.391 9.568 0.406) 9.585 3.524 ( 5.519 1.703 0.703) 5.818 3.663 ( 4.028 -0.899 -0.393) 4.146 4.720 ( -0.996 15.090 0.470) 15.130 5.005 ( -2.133 10.862 -0.041) 11.070 5.445 ( 9.938 2.742 0.633) 10.329 6.586 ( -6.135 17.672 -0.562) 18.715 7.692 ( 3.580 3.264 0.386) 4.860 8.028 ( 13.445 -7.097 0.708) 15.219 12.050 ( -14.434 13.058 -0.299) 19.466 13.099 ( -6.793 -19.892 -0.199) 21.021 13.549 ( 1.506 -13.002 -0.647) 13.105 16.523 ( 1.377 18.630 0.356) 18.685 18.144 ( -9.565 -9.226 -0.581) 13.302 18.732 ( 5.716 -19.548 0.402) 20.371 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 0.896 -0.896 0.674) 1.435 2.900 ( 0.393 1.129 -0.388) 1.257 3.009 ( -3.896 10.455 -0.462) 11.167 3.032 ( -3.223 9.291 0.174) 9.836 3.605 ( 3.399 -1.456 0.404) 3.720 3.698 ( 3.080 -3.805 -0.249) 4.902 4.821 ( -5.483 15.810 0.393) 16.739 5.009 ( -1.042 -0.768 -0.055) 1.296 5.621 ( 0.985 9.491 -0.185) 9.544 6.603 ( -11.181 18.652 -0.348) 21.750 7.773 ( 4.503 -2.752 -0.176) 5.281 8.139 ( 9.813 -11.129 0.984) 14.870 11.968 ( -13.841 19.577 0.073) 23.975 12.881 ( 2.785 -16.306 -0.572) 16.552 13.486 ( 3.637 -9.497 -0.390) 10.177 16.690 ( -6.506 21.915 -0.045) 22.860 17.939 ( -0.881 -11.325 -0.113) 11.360 18.668 ( 9.491 -19.728 0.434) 21.897 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -0.282 -1.243 0.289) 1.307 2.910 ( -0.046 0.195 0.174) 0.266 3.011 ( -7.034 8.962 -0.463) 11.402 3.027 ( -6.842 7.124 0.048) 9.878 3.602 ( -0.776 -3.840 0.287) 3.928 3.699 ( 1.898 -4.454 -0.186) 4.846 4.816 ( -11.265 12.315 0.172) 16.691 5.007 ( 0.882 0.499 -0.154) 1.025 5.613 ( -9.439 3.747 -0.556) 10.170 6.606 ( -10.330 19.211 -0.215) 21.813 7.766 ( -0.410 -5.542 -0.439) 5.574 8.144 ( 5.053 -14.026 1.195) 14.956 11.970 ( -9.901 21.950 0.174) 24.081 12.889 ( 13.622 -10.411 -0.217) 17.146 13.479 ( 5.773 -7.942 -0.712) 9.844 16.689 ( -15.781 16.471 -0.089) 22.811 17.937 ( 10.080 -4.897 -0.201) 11.208 18.673 ( 12.690 -17.977 0.645) 22.014 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -3.302 -1.112 0.325) 3.499 2.900 ( -1.261 -0.227 0.146) 1.290 2.943 ( -9.280 4.960 -0.635) 10.542 2.949 ( -8.840 5.458 0.238) 10.392 3.513 ( -4.734 -4.154 0.244) 6.303 3.667 ( -1.084 -3.761 -0.166) 3.917 4.712 ( -12.674 8.547 0.129) 15.287 4.998 ( -8.256 7.193 -0.345) 10.955 5.425 ( -8.026 -7.092 -0.268) 10.714 6.592 ( -12.280 14.477 -0.324) 18.987 7.671 ( -5.278 -1.911 -0.475) 5.633 8.041 ( -0.430 -15.341 1.226) 15.396 12.057 ( -4.048 19.372 0.002) 19.790 13.119 ( 21.614 -5.086 0.740) 22.216 13.534 ( 9.983 -6.672 -1.398) 12.088 16.518 ( -16.948 7.772 0.157) 18.646 18.141 ( 12.769 4.176 -0.707) 13.453 18.743 ( 14.265 -15.093 0.884) 20.787 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -10.450 -0.955 0.171) 10.495 2.801 ( -11.572 2.451 -0.301) 11.833 2.827 ( -10.245 2.111 0.344) 10.466 2.876 ( -1.422 -0.402 -0.188) 1.490 3.382 ( -6.354 -2.496 0.315) 6.834 3.581 ( -5.773 -2.244 -0.168) 6.196 4.539 ( -18.769 7.735 0.285) 20.303 4.837 ( -13.873 2.503 -0.532) 14.107 5.281 ( -0.682 -7.393 0.241) 7.429 6.438 ( -17.592 5.644 -0.374) 18.479 7.587 ( -5.932 5.513 -0.335) 8.105 7.841 ( -6.418 -13.769 1.162) 15.235 12.193 ( 1.733 11.433 -0.104) 11.564 13.488 ( 25.427 -3.113 1.370) 25.653 13.703 ( 16.347 -2.489 -1.889) 16.643 16.306 ( -13.426 2.547 0.338) 13.669 18.398 ( 10.191 6.937 -1.083) 12.376 18.854 ( 13.165 -10.231 0.933) 16.699 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -17.228 -0.098 -0.003) 17.228 2.576 ( -16.504 0.059 0.300) 16.507 2.653 ( -10.953 -0.082 -0.141) 10.954 2.849 ( -1.432 0.019 -0.308) 1.465 3.259 ( -7.201 0.003 0.571) 7.223 3.426 ( -11.247 0.031 -0.156) 11.249 4.201 ( -24.304 -0.078 0.307) 24.306 4.680 ( -5.634 0.205 -0.458) 5.656 5.206 ( -5.323 0.150 0.570) 5.355 6.126 ( -21.558 0.155 -0.304) 21.561 7.556 ( -14.825 3.970 -0.376) 15.352 7.594 ( -1.067 -4.206 1.588) 4.621 12.324 ( 7.143 -0.029 -0.101) 7.144 13.903 ( 25.988 -0.778 -0.277) 26.001 14.030 ( 22.389 0.875 -0.457) 22.410 16.129 ( -8.833 -0.116 0.396) 8.842 18.578 ( 6.073 0.687 -0.754) 6.158 18.988 ( 8.596 -0.634 0.348) 8.626 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -24.411 3.381 0.145) 24.644 2.263 ( -19.502 -1.277 0.281) 19.546 2.466 ( -10.324 -0.871 -0.278) 10.365 2.824 ( -2.301 0.817 -0.654) 2.527 3.126 ( -10.414 2.472 0.877) 10.739 3.208 ( -15.863 3.106 0.052) 16.165 3.786 ( -19.973 -5.323 0.297) 20.672 4.629 ( -1.513 0.879 -0.671) 1.874 5.085 ( -14.205 7.894 0.842) 16.273 5.749 ( -20.611 -2.265 -0.206) 20.736 7.243 ( -21.029 1.657 0.608) 21.103 7.647 ( 2.939 3.450 1.378) 4.737 12.439 ( 12.257 -9.341 -0.101) 15.411 14.360 ( 26.289 3.436 -1.535) 26.557 14.426 ( 24.016 -1.712 0.052) 24.077 16.009 ( -4.510 -1.616 0.353) 4.804 18.605 ( 1.294 -7.314 0.018) 7.428 19.116 ( 1.263 8.328 -0.524) 8.439 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.000 27.255 2.279) 27.350 2.023 ( -0.000 18.219 1.142) 18.254 2.322 ( -0.000 7.430 -0.856) 7.479 2.802 ( -0.000 4.801 -3.417) 5.893 3.103 ( 0.000 13.936 1.959) 14.073 3.128 ( -0.000 17.065 0.504) 17.072 3.464 ( -0.000 8.219 0.674) 8.247 4.620 ( -0.000 0.600 -1.173) 1.318 5.156 ( -0.000 30.297 -0.352) 30.299 5.399 ( -0.000 8.368 -0.577) 8.388 7.113 ( -0.000 20.571 1.410) 20.620 7.821 ( 0.000 1.505 4.131) 4.396 12.323 ( 0.000 -23.202 0.037) 23.202 14.472 ( -0.000 -18.849 -3.232) 19.124 14.888 ( 0.000 -24.477 0.671) 24.486 15.909 ( -0.000 -0.322 -0.040) 0.324 18.382 ( -0.000 -1.143 -1.022) 1.533 19.319 ( -0.000 9.396 -0.631) 9.417 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 7.257 14.907 0.788) 16.599 2.284 ( 3.534 22.812 2.118) 23.181 2.437 ( 5.017 7.812 -0.673) 9.309 2.820 ( -0.473 2.176 -3.110) 3.825 3.233 ( 0.252 10.677 2.328) 10.930 3.306 ( 1.321 15.900 -0.368) 15.959 3.664 ( 12.873 9.997 0.741) 16.316 4.631 ( -0.336 3.251 -1.073) 3.440 5.311 ( -6.517 16.980 0.599) 18.198 5.657 ( 13.410 15.202 -0.576) 20.280 7.296 ( 2.732 11.627 1.602) 12.051 7.852 ( -4.142 10.290 2.727) 11.422 12.159 ( 6.909 -21.617 -0.050) 22.694 14.241 ( -5.260 -17.830 -2.837) 18.805 14.519 ( -14.373 -23.020 0.558) 27.144 15.962 ( 5.581 0.886 0.339) 5.661 18.409 ( 4.459 -3.376 -0.865) 5.659 19.321 ( -7.220 3.746 -0.192) 8.137 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 5.915 13.512 0.480) 14.758 2.561 ( 8.503 11.523 1.038) 14.358 2.633 ( 6.908 10.505 0.316) 12.577 2.830 ( 0.123 1.915 -2.534) 3.179 3.328 ( 0.095 7.745 1.912) 7.978 3.464 ( 1.479 11.461 -0.571) 11.570 4.075 ( 21.164 12.941 0.772) 24.819 4.678 ( 1.074 6.000 -0.806) 6.148 5.337 ( -5.563 9.196 1.229) 10.818 6.047 ( 15.040 14.223 -0.540) 20.708 7.450 ( 5.707 5.301 1.631) 7.958 7.879 ( -7.950 14.505 1.263) 16.589 12.128 ( 10.720 -16.088 -0.206) 19.334 13.945 ( -8.624 -17.416 -3.249) 19.704 14.020 ( -18.450 -19.698 1.459) 27.029 16.106 ( 7.909 4.729 0.669) 9.239 18.427 ( 3.659 -7.788 -0.873) 8.649 19.157 ( -13.059 -1.366 0.057) 13.131 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 4.535 9.581 0.607) 10.617 2.798 ( 7.759 7.998 -0.039) 11.143 2.835 ( 5.215 6.557 0.134) 8.379 2.858 ( 2.079 3.656 -1.072) 4.341 3.405 ( 0.806 6.267 1.266) 6.444 3.571 ( 1.008 6.161 -0.542) 6.266 4.552 ( 15.476 12.081 0.576) 19.641 4.824 ( 10.138 11.307 -0.322) 15.189 5.306 ( -5.941 3.929 1.350) 7.250 6.424 ( 13.744 12.483 -0.601) 18.577 7.604 ( 7.980 1.751 1.460) 8.299 7.862 ( -9.681 12.160 0.255) 15.546 12.184 ( 8.655 -7.271 -0.471) 11.313 13.517 ( -15.091 -21.650 0.468) 26.395 13.651 ( -9.860 -11.274 -1.472) 15.049 16.322 ( 8.896 10.036 0.700) 13.429 18.368 ( 0.769 -11.587 -0.938) 11.650 18.872 ( -15.354 -6.543 0.269) 16.692 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 1.663 3.054 0.903) 3.593 2.875 ( 0.772 1.767 -1.167) 2.254 3.001 ( 5.072 8.746 0.304) 10.115 3.015 ( 5.123 8.397 -0.172) 9.838 3.482 ( 1.940 3.754 0.785) 4.298 3.617 ( 0.625 0.813 -0.447) 1.118 4.770 ( 4.021 6.801 0.218) 7.903 5.224 ( -3.650 -2.549 0.993) 4.561 5.264 ( 15.554 22.327 0.096) 27.210 6.733 ( 7.684 12.782 -0.618) 14.926 7.745 ( 5.250 0.909 1.373) 5.502 7.802 ( -4.097 2.186 -0.340) 4.656 12.254 ( 1.766 2.912 -0.715) 3.480 13.088 ( -12.266 -18.468 0.884) 22.188 13.429 ( -3.569 -9.606 -1.166) 10.313 16.602 ( 8.959 15.781 0.521) 18.154 18.220 ( -5.213 -11.353 -0.991) 12.532 18.546 ( -9.751 -14.330 0.555) 17.342 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 0.305 -0.267 0.763) 0.864 2.898 ( 0.649 0.888 -0.648) 1.276 3.145 ( 0.681 10.019 0.005) 10.042 3.159 ( 0.793 9.721 -0.178) 9.755 3.537 ( 2.470 -0.793 0.558) 2.653 3.615 ( 1.325 -3.813 -0.356) 4.052 4.891 ( 3.587 5.310 0.246) 6.413 5.118 ( -6.234 -0.787 0.451) 6.300 5.696 ( 8.443 20.116 -0.131) 21.817 6.909 ( -2.873 14.894 -0.511) 15.177 7.718 ( -2.416 -0.902 -0.081) 2.580 7.863 ( 9.493 -9.210 0.853) 13.254 12.298 ( -4.310 11.407 -0.437) 12.202 12.763 ( -6.718 -14.071 0.271) 15.595 13.335 ( 2.290 -8.270 -0.508) 8.596 16.918 ( 5.728 21.471 0.174) 22.222 17.958 ( -12.499 -8.829 -0.530) 15.312 18.321 ( 4.706 -22.284 0.485) 22.781 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( 0.218 -0.946 0.431) 1.062 2.910 ( 0.213 0.289 -0.242) 0.433 3.205 ( -4.933 9.250 -0.326) 10.488 3.213 ( -5.322 8.476 0.090) 10.008 3.552 ( 2.028 -3.977 0.414) 4.484 3.604 ( 3.272 -5.351 -0.249) 6.277 4.980 ( -0.751 -0.273 0.143) 0.812 5.024 ( -1.996 4.130 0.190) 4.591 5.876 ( -8.223 13.890 -0.403) 16.147 6.950 ( -8.787 15.767 -0.320) 18.053 7.692 ( 2.198 -4.288 -0.213) 4.823 7.900 ( 7.401 -12.844 0.880) 14.850 12.326 ( -8.470 15.257 0.221) 17.452 12.627 ( 5.238 -8.909 -0.379) 10.342 13.316 ( 4.097 -7.309 -0.342) 8.386 17.115 ( -11.715 20.110 -0.186) 23.274 17.758 ( 3.033 -5.301 -0.077) 6.108 18.257 ( 12.799 -21.908 0.427) 25.376 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -0.275 -0.622 0.200) 0.709 2.909 ( -0.464 -0.113 -0.076) 0.484 3.145 ( -9.220 3.833 0.086) 9.985 3.157 ( -8.767 5.044 -0.265) 10.118 3.528 ( -0.893 -3.021 0.320) 3.166 3.620 ( 2.792 -2.751 -0.173) 3.924 4.883 ( -6.391 -0.414 0.032) 6.404 5.111 ( 3.160 4.611 0.250) 5.595 5.690 ( -22.037 3.246 -0.307) 22.277 6.918 ( -11.208 10.316 -0.281) 15.236 7.705 ( 1.084 1.454 -0.375) 1.852 7.867 ( 3.746 -13.316 0.908) 13.862 12.310 ( -7.540 10.168 -0.097) 12.659 12.762 ( 15.767 -2.459 0.213) 15.959 13.334 ( 6.102 -5.172 -0.527) 8.016 16.913 ( -21.720 5.594 0.039) 22.429 17.960 ( 14.143 7.182 -0.465) 15.869 18.324 ( 16.989 -15.986 0.568) 23.334 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -3.537 -0.100 0.078) 3.540 2.894 ( -1.103 -0.030 -0.250) 1.132 2.995 ( -10.287 0.033 0.124) 10.288 3.018 ( -10.274 0.077 -0.044) 10.274 3.466 ( -4.598 -0.069 0.312) 4.609 3.625 ( -0.910 0.044 -0.147) 0.923 4.765 ( -7.853 0.029 0.084) 7.853 5.203 ( 3.554 -0.458 0.416) 3.607 5.262 ( -27.167 0.638 0.037) 27.175 6.746 ( -14.828 0.109 -0.250) 14.831 7.720 ( -4.150 1.090 0.447) 4.314 7.805 ( 0.247 -1.316 -0.030) 1.339 12.268 ( -3.541 0.024 -0.279) 3.552 13.071 ( 21.707 -0.493 0.305) 21.715 13.452 ( 11.228 0.631 -0.427) 11.254 16.591 ( -18.483 -0.053 0.214) 18.485 18.242 ( 12.950 0.536 -0.449) 12.969 18.533 ( 17.085 -0.587 0.267) 17.097 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -10.453 0.681 -0.210) 10.478 2.805 ( -11.281 -1.841 0.419) 11.438 2.824 ( -10.506 -2.655 -0.261) 10.839 2.876 ( -1.503 0.473 -0.218) 1.591 3.384 ( -6.280 2.467 0.540) 6.769 3.581 ( -5.784 2.308 -0.172) 6.230 4.539 ( -18.770 -7.815 0.199) 20.333 4.841 ( -13.886 -2.076 0.082) 14.041 5.285 ( -0.643 7.511 0.849) 7.586 6.440 ( -17.562 -5.401 -0.140) 18.374 7.598 ( -5.738 -5.582 1.378) 8.122 7.829 ( -6.530 13.415 -0.793) 14.941 12.192 ( 1.723 -11.443 -0.229) 11.574 13.474 ( 25.020 1.907 -0.926) 25.109 13.718 ( 16.664 3.975 0.585) 17.142 16.306 ( -13.440 -2.715 0.247) 13.713 18.405 ( 10.269 -6.338 0.073) 12.067 18.846 ( 13.116 9.603 -0.436) 16.262 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -14.950 1.580 -0.325) 15.037 2.557 ( -16.551 -0.553 0.852) 16.582 2.623 ( -10.261 -2.214 -0.502) 10.509 2.858 ( -1.350 0.976 -0.537) 1.750 3.304 ( -7.202 3.891 0.889) 8.234 3.474 ( -10.735 4.549 -0.176) 11.661 4.062 ( -21.770 -11.663 0.406) 24.701 4.706 ( -5.713 2.576 -0.194) 6.270 5.329 ( -4.587 9.794 1.101) 10.871 6.067 ( -19.579 -5.782 0.048) 20.415 7.448 ( -7.320 -2.849 1.656) 8.028 7.823 ( -10.045 14.321 -0.452) 17.498 12.129 ( 8.382 -17.532 -0.185) 19.433 13.938 ( 26.605 3.187 -2.918) 26.954 14.060 ( 19.230 1.865 2.051) 19.429 16.089 ( -8.140 -4.180 0.198) 9.153 18.471 ( 5.470 -7.351 0.391) 9.171 19.126 ( 7.831 10.587 -0.801) 13.193 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -0.000 12.584 0.949) 12.620 2.456 ( -0.000 6.690 -0.839) 6.742 2.486 ( -0.000 20.798 1.948) 20.889 2.839 ( -0.000 1.825 -2.991) 3.504 3.336 ( 0.000 9.187 2.151) 9.436 3.447 ( -0.000 14.563 -0.489) 14.571 3.635 ( -0.000 8.664 0.739) 8.696 4.677 ( -0.000 5.869 -0.839) 5.928 5.550 ( -0.000 7.179 -0.528) 7.199 5.638 ( -0.000 16.997 1.243) 17.042 7.377 ( 0.000 8.886 1.824) 9.071 8.028 ( -0.000 16.021 1.397) 16.082 11.872 ( 0.000 -22.332 -0.073) 22.332 14.112 ( -0.000 -16.812 -2.707) 17.028 14.428 ( 0.000 -22.244 0.892) 22.262 15.905 ( -0.000 -0.140 -0.030) 0.143 18.354 ( -0.000 -1.496 -0.227) 1.513 19.407 ( -0.000 0.740 -0.315) 0.804 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 6.561 9.031 0.751) 11.188 2.556 ( 4.193 7.033 -0.711) 8.219 2.686 ( 1.993 14.461 1.673) 14.693 2.848 ( -0.328 2.140 -2.482) 3.293 3.417 ( -0.614 7.931 1.647) 8.124 3.570 ( -0.476 11.171 -0.492) 11.192 3.856 ( 15.302 9.157 0.714) 17.847 4.741 ( -0.375 8.165 -0.515) 8.190 5.528 ( -6.661 6.656 0.749) 9.446 5.908 ( 13.318 7.845 0.444) 15.463 7.477 ( 0.765 9.555 1.458) 9.696 8.147 ( -5.055 15.881 0.522) 16.674 11.754 ( 10.274 -19.307 -0.127) 21.871 13.897 ( -6.012 -16.507 -2.991) 17.821 14.114 ( -12.063 -17.826 1.544) 21.579 15.985 ( 8.641 1.273 0.107) 8.735 18.339 ( 0.112 -3.468 -0.008) 3.470 19.330 ( -8.218 -1.840 -0.356) 8.429 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 9.515 5.812 0.239) 11.153 2.722 ( 6.422 7.573 -0.322) 9.935 2.824 ( 2.121 5.687 0.989) 6.150 2.869 ( 0.341 3.414 -1.350) 3.687 3.481 ( -0.912 7.453 1.028) 7.579 3.643 ( -1.390 7.093 -0.409) 7.239 4.293 ( 23.890 8.886 0.607) 25.496 4.827 ( 1.200 8.877 -0.154) 8.959 5.471 ( -6.462 4.532 1.192) 7.982 6.230 ( 17.617 4.302 -0.103) 18.134 7.588 ( 1.071 8.904 1.051) 9.029 8.161 ( -9.869 12.649 0.000) 16.044 11.833 ( 17.459 -13.487 -0.204) 22.062 13.547 ( -13.579 -19.187 -2.319) 23.620 13.770 ( -12.433 -8.913 1.419) 15.363 16.206 ( 13.394 5.118 0.216) 14.340 18.270 ( -2.058 -7.716 0.009) 7.986 19.102 ( -15.243 -3.632 -0.356) 15.673 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 1.071 3.193 0.347) 3.386 2.886 ( 0.183 2.422 -0.926) 2.600 2.934 ( 10.189 5.074 0.038) 11.383 2.960 ( 7.732 4.547 0.386) 8.978 3.531 ( -1.267 5.756 0.539) 5.918 3.657 ( -2.702 2.971 -0.292) 4.027 4.723 ( 13.051 6.636 0.368) 14.645 4.996 ( 12.157 3.997 0.230) 12.799 5.438 ( -2.946 9.367 0.836) 9.854 6.577 ( 18.522 3.617 -0.316) 18.874 7.678 ( 1.029 4.844 0.748) 5.008 8.063 ( -13.420 8.124 -0.223) 15.690 12.050 ( 18.304 -5.767 -0.308) 19.194 13.120 ( -13.824 -17.475 -0.767) 22.295 13.510 ( -11.178 -4.046 0.428) 11.895 16.527 ( 15.352 10.218 0.236) 18.443 18.124 ( -3.141 -12.226 -0.035) 12.623 18.756 ( -20.143 -5.071 -0.279) 20.773 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -0.568 0.496 0.658) 1.001 2.896 ( 0.267 0.741 -0.701) 1.054 3.147 ( 8.819 5.163 -0.152) 10.220 3.152 ( 7.855 5.826 0.170) 9.781 3.543 ( -2.178 2.047 0.316) 3.006 3.611 ( -3.798 -0.948 -0.227) 3.921 4.890 ( 2.918 5.784 0.279) 6.485 5.122 ( 2.185 -5.720 0.261) 6.129 5.688 ( 13.900 17.112 0.228) 22.047 6.905 ( 14.570 4.818 -0.300) 15.349 7.707 ( 0.433 -2.078 0.422) 2.165 7.884 ( -13.428 3.548 -0.112) 13.889 12.298 ( 11.897 2.253 -0.432) 12.116 12.768 ( -9.137 -13.519 0.068) 16.317 13.323 ( -7.246 -2.034 0.026) 7.526 16.918 ( 15.706 15.482 0.176) 22.054 17.948 ( -1.134 -14.938 -0.086) 14.981 18.334 ( -22.211 -7.060 -0.111) 23.306 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -0.508 -0.422 0.255) 0.708 2.908 ( 0.375 0.373 -0.210) 0.569 3.316 ( 3.768 6.441 -0.101) 7.463 3.321 ( 3.957 6.475 -0.001) 7.589 3.500 ( -2.281 -2.530 0.471) 3.438 3.520 ( -2.319 -5.032 -0.371) 5.553 4.980 ( 2.181 4.005 0.229) 4.566 5.062 ( -2.255 -3.773 -0.024) 4.395 6.033 ( 6.544 10.836 -0.047) 12.659 7.125 ( 3.908 6.244 -0.198) 7.369 7.663 ( -1.107 -2.935 -0.150) 3.140 7.730 ( -3.404 -3.938 0.415) 5.222 12.463 ( 2.991 5.636 -0.340) 6.390 12.564 ( -3.445 -6.497 0.237) 7.358 13.231 ( -1.137 -2.403 -0.069) 2.660 17.344 ( 12.238 20.786 -0.018) 24.121 17.812 ( -3.886 -8.076 -0.204) 8.965 17.900 ( -10.782 -16.756 0.248) 19.927 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.106 -0.124 0.054) 0.172 2.913 ( -0.037 0.068 -0.047) 0.090 3.317 ( -7.980 -0.059 0.031) 7.980 3.324 ( -7.068 0.200 -0.089) 7.071 3.487 ( 3.278 -0.256 0.173) 3.293 3.529 ( 5.499 0.136 -0.103) 5.501 4.972 ( -4.689 -0.054 0.120) 4.691 5.063 ( 3.832 -0.042 -0.009) 3.832 6.035 ( -12.667 0.134 -0.025) 12.668 7.132 ( -6.848 0.143 -0.108) 6.851 7.670 ( 2.953 0.527 -0.152) 3.003 7.713 ( 4.628 -0.781 0.297) 4.703 12.475 ( -5.930 -0.163 -0.190) 5.936 12.556 ( 7.190 0.184 0.136) 7.194 13.233 ( 2.883 0.116 -0.037) 2.886 17.344 ( -24.518 0.110 -0.010) 24.518 17.820 ( 9.421 0.481 -0.124) 9.434 17.891 ( 19.764 -0.636 0.148) 19.774 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -0.239 0.473 0.017) 0.530 2.908 ( -0.562 0.094 -0.174) 0.596 3.145 ( -9.179 -3.902 -0.012) 9.974 3.160 ( -8.787 -4.810 0.127) 10.018 3.527 ( -0.816 2.848 0.098) 2.964 3.620 ( 2.757 2.854 -0.057) 3.969 4.884 ( -6.365 0.451 0.199) 6.384 5.110 ( 3.208 -4.739 0.096) 5.723 5.694 ( -21.956 -2.916 0.297) 22.151 6.919 ( -11.235 -10.172 -0.110) 15.156 7.711 ( 1.293 -1.588 0.547) 2.120 7.858 ( 3.573 13.071 -0.536) 13.561 12.308 ( -7.487 -10.207 -0.268) 12.661 12.760 ( 15.472 2.371 -0.048) 15.653 13.339 ( 6.326 5.600 0.236) 8.452 16.913 ( -21.771 -5.578 0.120) 22.474 17.964 ( 14.281 -7.095 0.132) 15.947 18.319 ( 16.867 15.739 -0.328) 23.072 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -3.529 0.941 -0.058) 3.653 2.895 ( -1.425 -0.002 -0.642) 1.563 2.947 ( -8.811 -5.128 -0.141) 10.196 2.951 ( -9.022 -4.966 0.637) 10.318 3.514 ( -4.593 4.101 0.294) 6.164 3.668 ( -1.119 3.822 -0.099) 3.984 4.713 ( -12.731 -8.622 0.226) 15.378 5.002 ( -7.947 -6.878 0.323) 10.515 5.431 ( -8.075 7.125 0.741) 10.795 6.593 ( -12.230 -14.386 -0.096) 18.882 7.679 ( -5.126 1.813 0.826) 5.499 8.029 ( -0.516 15.163 -0.755) 15.190 12.055 ( -4.039 -19.379 -0.216) 19.797 13.110 ( 21.036 5.039 -0.826) 21.646 13.548 ( 10.460 7.009 0.839) 12.619 16.518 ( -17.002 -7.829 0.116) 18.719 18.147 ( 12.944 -4.158 0.273) 13.598 18.734 ( 14.110 14.976 -0.593) 20.585 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -10.463 -2.751 -0.113) 10.819 2.735 ( -8.977 -4.709 -0.030) 10.137 2.794 ( -7.849 1.443 0.187) 7.983 2.890 ( -1.392 1.094 -0.523) 1.846 3.463 ( -6.397 4.744 0.668) 7.992 3.655 ( -5.360 4.744 -0.170) 7.160 4.282 ( -19.691 -15.789 0.456) 25.243 4.858 ( -7.864 3.723 0.196) 8.703 5.457 ( -0.736 8.060 1.055) 8.162 6.245 ( -12.349 -13.439 0.129) 18.252 7.587 ( -8.804 3.818 1.097) 9.659 8.116 ( -6.474 14.608 -0.698) 15.993 11.834 ( 2.896 -22.087 -0.180) 22.277 13.540 ( 23.589 4.802 -2.018) 24.157 13.814 ( 13.876 4.196 1.646) 14.590 16.195 ( -11.395 -8.573 0.067) 14.260 18.299 ( 8.527 -2.875 0.406) 9.008 19.073 ( 10.501 11.488 -0.758) 15.582 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.000 6.228 0.645) 6.261 2.580 ( -0.000 6.332 -0.628) 6.364 2.799 ( 0.000 9.666 1.316) 9.756 2.871 ( -0.000 3.085 -2.073) 3.716 3.502 ( 0.000 7.653 1.212) 7.748 3.681 ( -0.000 9.521 -0.340) 9.527 3.797 ( -0.000 7.340 0.645) 7.369 4.838 ( -0.000 10.392 -0.189) 10.394 5.670 ( -0.000 5.149 -0.407) 5.165 5.798 ( 0.000 -0.608 1.848) 1.946 7.587 ( -0.000 12.409 1.017) 12.450 8.339 ( -0.000 13.967 0.032) 13.967 11.474 ( 0.000 -17.750 -0.110) 17.751 13.799 ( -0.000 -13.934 -2.426) 14.143 14.054 ( 0.000 -15.964 1.348) 16.021 15.903 ( -0.000 0.003 -0.028) 0.028 18.324 ( 0.000 -1.494 0.320) 1.527 19.378 ( -0.000 -2.775 -0.492) 2.818 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 6.123 3.946 0.295) 7.290 2.679 ( 4.841 5.337 -0.337) 7.213 2.858 ( -0.096 3.061 0.117) 3.065 2.907 ( -0.284 4.401 -0.589) 4.450 3.570 ( -0.729 7.142 0.731) 7.217 3.738 ( -1.854 6.207 -0.218) 6.482 4.015 ( 16.301 6.484 0.512) 17.551 4.930 ( -1.514 10.618 0.073) 10.726 5.603 ( -6.204 0.747 0.864) 6.308 5.956 ( 15.294 -1.542 0.349) 15.375 7.701 ( -1.071 11.666 0.701) 11.736 8.411 ( -5.753 10.505 -0.284) 11.980 11.428 ( 12.574 -13.431 -0.107) 18.399 13.587 ( -9.529 -13.246 -2.031) 16.443 13.852 ( -7.291 -9.869 1.440) 12.354 16.009 ( 11.605 1.111 -0.019) 11.659 18.278 ( -3.705 -2.676 0.334) 4.583 19.275 ( -8.604 -3.054 -0.507) 9.144 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 9.874 2.741 0.014) 10.247 2.832 ( 6.969 3.582 -0.194) 7.838 2.885 ( 1.280 2.138 0.030) 2.492 2.923 ( -0.920 1.315 -0.081) 1.607 3.614 ( -1.584 5.257 0.301) 5.499 3.741 ( -3.159 3.104 -0.106) 4.430 4.425 ( 23.940 4.466 0.324) 24.355 4.988 ( -1.639 6.612 0.219) 6.815 5.537 ( -2.443 2.031 0.784) 3.272 6.246 ( 20.205 -1.293 -0.071) 20.247 7.769 ( -2.596 7.893 0.495) 8.324 8.350 ( -11.130 6.575 -0.436) 12.935 11.622 ( 21.670 -7.660 -0.106) 22.984 13.235 ( -15.942 -11.252 -1.028) 19.540 13.650 ( -8.980 -4.112 0.911) 9.919 16.295 ( 18.740 3.513 0.002) 19.067 18.142 ( -7.884 -5.009 0.235) 9.343 19.034 ( -16.177 -2.697 -0.439) 16.406 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -0.062 1.384 0.405) 1.443 2.902 ( -1.151 -0.241 -0.640) 1.339 2.999 ( 11.429 1.678 0.066) 11.552 3.032 ( 9.867 2.065 0.128) 10.082 3.614 ( -2.867 2.280 0.006) 3.663 3.691 ( -4.842 0.750 0.005) 4.900 4.827 ( 16.262 3.420 0.130) 16.618 5.006 ( 0.756 -1.235 0.105) 1.452 5.607 ( 7.485 5.469 0.420) 9.280 6.597 ( 21.661 -0.303 -0.052) 21.663 7.763 ( -4.395 2.633 0.286) 5.131 8.170 ( -15.031 2.870 -0.425) 15.308 11.972 ( 23.912 -1.995 -0.119) 23.996 12.873 ( -15.234 -6.697 -0.223) 16.643 13.468 ( -9.759 -0.999 0.416) 9.819 16.688 ( 22.173 5.041 0.054) 22.739 17.934 ( -9.426 -5.913 0.112) 11.128 18.684 ( -22.044 -1.882 -0.309) 22.126 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -1.353 -0.237 -0.192) 1.387 2.904 ( 0.358 0.243 0.130) 0.452 3.199 ( 10.683 0.086 0.112) 10.684 3.214 ( 9.916 -0.089 -0.021) 9.917 3.562 ( -4.382 -0.111 -0.217) 4.389 3.598 ( -6.344 0.087 0.146) 6.347 4.984 ( 0.392 -0.326 -0.074) 0.515 5.027 ( 4.168 0.137 -0.069) 4.171 5.868 ( 16.535 -0.073 0.169) 16.536 6.943 ( 18.062 0.113 0.132) 18.063 7.688 ( -4.685 -0.096 0.057) 4.687 7.918 ( -15.299 -0.009 -0.334) 15.302 12.331 ( 17.435 0.134 -0.097) 17.436 12.619 ( -10.162 0.024 0.160) 10.164 13.309 ( -8.031 -0.044 0.143) 8.032 17.111 ( 23.231 -0.036 0.077) 23.231 17.756 ( -6.049 -0.010 0.028) 6.049 18.266 ( -25.607 0.053 -0.172) 25.608 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -0.435 0.119 -0.252) 0.516 2.911 ( 0.278 -0.119 0.207) 0.366 3.317 ( 3.780 -6.833 0.015) 7.809 3.322 ( 4.039 -6.020 0.133) 7.251 3.494 ( -2.349 2.532 -0.512) 3.492 3.525 ( -2.319 4.958 0.352) 5.485 4.977 ( 2.172 -4.066 -0.318) 4.621 5.062 ( -2.158 3.536 0.029) 4.143 6.034 ( 6.635 -10.789 0.066) 12.666 7.128 ( 3.892 -5.996 0.282) 7.154 7.665 ( -0.723 3.082 0.262) 3.176 7.723 ( -3.822 3.458 -0.640) 5.194 12.469 ( 2.769 -5.518 0.486) 6.193 12.561 ( -3.272 6.497 -0.341) 7.282 13.232 ( -1.111 2.536 0.098) 2.770 17.344 ( 12.395 -20.892 0.026) 24.292 17.816 ( -3.648 8.450 0.302) 9.209 17.897 ( -11.196 16.451 -0.363) 19.903 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 0.337 0.760 -0.177) 0.850 2.912 ( 0.030 -0.173 0.091) 0.198 3.209 ( -4.774 -9.050 0.246) 10.235 3.211 ( -5.450 -8.640 -0.145) 10.216 3.548 ( 2.154 3.920 -0.161) 4.475 3.606 ( 3.185 5.394 0.094) 6.265 4.979 ( -0.297 0.142 -0.053) 0.333 5.022 ( -2.250 -4.181 -0.083) 4.749 5.880 ( -8.055 -13.805 0.166) 15.984 6.952 ( -8.923 -15.682 0.133) 18.044 7.694 ( 2.343 4.261 0.104) 4.864 7.892 ( 7.313 12.673 -0.380) 14.637 12.324 ( -8.629 -15.180 -0.090) 17.462 12.630 ( 5.240 9.001 0.156) 10.416 13.319 ( 4.223 7.402 0.141) 8.523 17.117 ( -11.678 -20.151 0.077) 23.290 17.759 ( 3.057 5.314 0.034) 6.130 18.254 ( 12.685 21.862 -0.179) 25.277 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.128 1.278 0.065) 1.286 2.907 ( -0.458 -0.393 -0.347) 0.696 3.014 ( -7.105 -8.823 0.037) 11.328 3.028 ( -6.595 -7.125 0.172) 9.711 3.601 ( -0.654 3.803 0.032) 3.859 3.700 ( 1.853 4.491 0.002) 4.858 4.816 ( -11.141 -12.478 0.125) 16.728 5.009 ( 1.104 -0.305 0.118) 1.152 5.619 ( -9.301 -3.826 0.408) 10.065 6.607 ( -10.393 -19.183 -0.049) 21.817 7.771 ( -0.210 5.515 0.336) 5.529 8.133 ( 4.892 13.925 -0.478) 14.767 11.968 ( -9.887 -21.917 -0.113) 24.045 12.889 ( 13.184 10.646 -0.213) 16.947 13.485 ( 6.133 7.917 0.406) 10.023 16.690 ( -15.842 -16.479 0.056) 22.858 17.939 ( 10.242 4.811 0.115) 11.316 18.667 ( 12.506 17.988 -0.317) 21.911 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -7.122 -6.253 0.519) 9.491 2.816 ( -6.688 -5.379 -0.746) 8.615 2.884 ( -1.980 1.137 0.417) 2.321 2.921 ( -1.363 0.407 -0.462) 1.496 3.601 ( -3.917 4.226 0.308) 5.771 3.750 ( -0.991 4.213 -0.079) 4.329 4.418 ( -15.839 -17.981 0.324) 23.964 5.010 ( -4.047 5.007 0.210) 6.441 5.531 ( -1.520 3.117 0.778) 3.554 6.256 ( -8.849 -18.480 -0.061) 20.489 7.780 ( -5.883 6.625 0.546) 8.877 8.305 ( -0.222 12.521 -0.505) 12.533 11.620 ( -4.051 -22.638 -0.102) 22.998 13.253 ( 17.467 9.332 -0.967) 19.828 13.675 ( 8.420 5.097 0.866) 9.880 16.293 ( -12.756 -14.233 0.004) 19.113 18.151 ( 8.857 3.751 0.237) 9.622 19.010 ( 10.203 12.645 -0.447) 16.254 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.000 2.515 0.277) 2.531 2.680 ( -0.000 3.629 -0.277) 3.640 2.881 ( -0.000 1.731 -0.143) 1.737 2.946 ( -0.000 2.648 -0.281) 2.663 3.642 ( -0.000 5.758 0.428) 5.774 3.817 ( -0.000 4.524 -0.098) 4.525 3.914 ( -0.000 4.170 0.401) 4.190 5.061 ( -0.000 11.682 0.204) 11.684 5.690 ( 0.000 -9.191 1.187) 9.267 5.745 ( -0.000 2.690 -0.232) 2.700 7.821 ( -0.000 9.618 0.495) 9.630 8.546 ( -0.000 7.145 -0.482) 7.162 11.200 ( 0.000 -9.862 -0.063) 9.863 13.568 ( -0.000 -8.310 -1.214) 8.398 13.826 ( 0.000 -7.958 1.031) 8.025 15.904 ( -0.000 0.046 -0.029) 0.054 18.301 ( 0.000 -0.967 0.299) 1.012 19.321 ( -0.000 -2.391 -0.490) 2.440 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 6.130 1.233 0.198) 6.256 2.749 ( 4.868 1.813 -0.214) 5.199 2.894 ( 0.056 1.081 0.063) 1.084 2.953 ( -1.027 0.770 -0.247) 1.307 3.679 ( -0.974 3.106 0.112) 3.257 3.814 ( -2.652 1.861 0.020) 3.240 4.103 ( 16.517 2.274 0.204) 16.674 5.117 ( -4.771 6.764 0.249) 8.281 5.570 ( -1.954 -3.179 0.520) 3.767 5.919 ( 15.372 -1.155 -0.026) 15.416 7.878 ( -1.939 5.063 0.357) 5.433 8.546 ( -6.056 3.525 -0.585) 7.032 11.246 ( 13.741 -4.813 -0.035) 14.560 13.400 ( -11.664 -4.786 -0.389) 12.614 13.729 ( -4.542 -3.346 0.653) 5.680 16.025 ( 13.470 0.450 -0.024) 13.477 18.242 ( -5.980 -1.069 0.152) 6.076 19.227 ( -8.729 -1.289 -0.400) 8.833 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 10.154 0.014 0.131) 10.154 2.866 ( 6.434 0.073 -0.123) 6.436 2.909 ( 2.011 -0.098 -0.148) 2.018 2.932 ( -1.540 0.078 0.118) 1.546 3.668 ( -2.000 -0.093 -0.148) 2.007 3.770 ( -3.744 0.037 0.111) 3.746 4.469 ( 23.796 -0.113 -0.046) 23.797 5.057 ( -4.790 -0.048 0.183) 4.794 5.557 ( 1.491 -0.279 0.097) 1.520 6.226 ( 20.917 0.066 0.078) 20.917 7.853 ( -3.872 -0.129 0.189) 3.878 8.412 ( -11.477 0.088 -0.586) 11.492 11.545 ( 23.154 0.028 -0.040) 23.154 13.124 ( -16.935 0.322 0.313) 16.941 13.610 ( -7.644 -0.240 0.257) 7.652 16.331 ( 21.140 0.006 0.030) 21.140 18.090 ( -10.476 -0.071 0.017) 10.476 19.005 ( -16.447 0.108 -0.282) 16.449 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -0.572 -1.226 -0.468) 1.432 2.908 ( -0.712 0.252 0.371) 0.842 3.000 ( 11.452 -1.626 0.286) 11.570 3.030 ( 9.884 -2.230 -0.143) 10.134 3.612 ( -2.869 -2.461 -0.360) 3.797 3.693 ( -4.823 -0.645 0.223) 4.871 4.824 ( 16.209 -3.610 -0.354) 16.609 5.005 ( 0.736 1.107 -0.018) 1.329 5.604 ( 7.628 -5.830 -0.019) 9.601 6.599 ( 21.697 0.458 0.286) 21.703 7.761 ( -4.400 -2.900 -0.038) 5.270 8.169 ( -15.043 -2.752 -0.525) 15.302 11.973 ( 23.955 2.120 -0.006) 24.048 12.878 ( -15.424 7.029 0.525) 16.958 13.466 ( -9.646 0.769 0.132) 9.678 16.688 ( 22.142 -5.120 0.011) 22.726 17.934 ( -9.378 5.893 0.033) 11.076 18.685 ( -22.063 2.030 -0.195) 22.157 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -0.537 -0.628 -0.519) 0.976 2.904 ( 0.159 -0.544 0.504) 0.759 3.147 ( 8.192 -5.830 -0.110) 10.055 3.152 ( 8.566 -5.179 0.214) 10.013 3.537 ( -2.252 -2.239 -0.575) 3.228 3.614 ( -3.735 1.046 0.360) 3.896 4.886 ( 2.909 -5.771 -0.303) 6.470 5.118 ( 2.229 5.369 -0.460) 5.831 5.687 ( 14.060 -17.212 0.015) 22.224 6.910 ( 14.618 -4.645 0.513) 15.347 7.703 ( 0.566 1.779 -0.189) 1.877 7.881 ( -13.602 -3.497 -0.527) 14.054 12.304 ( 12.186 -1.938 0.507) 12.350 12.766 ( -9.653 13.163 -0.245) 16.325 13.325 ( -7.087 2.336 0.389) 7.472 16.915 ( 15.699 -15.683 -0.207) 22.191 17.952 ( -0.934 15.283 0.424) 15.317 18.333 ( -22.417 6.904 -0.305) 23.458 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 0.412 0.080 -0.413) 0.589 2.904 ( 0.466 -0.642 0.460) 0.917 3.145 ( 0.997 -9.937 -0.008) 9.987 3.160 ( 0.509 -9.859 0.044) 9.872 3.530 ( 2.633 0.744 -0.446) 2.773 3.618 ( 1.225 3.822 0.265) 4.022 4.887 ( 3.587 -5.280 -0.315) 6.391 5.113 ( -5.982 0.558 -0.381) 6.020 5.696 ( 8.550 -20.229 -0.120) 21.962 6.915 ( -3.002 -14.826 0.440) 15.134 7.716 ( -2.300 0.617 -0.330) 2.404 7.856 ( 9.489 9.336 -0.222) 13.314 12.304 ( -4.794 -11.501 0.486) 12.469 12.761 ( -6.079 14.251 -0.143) 15.494 13.339 ( 2.039 8.442 0.186) 8.687 16.915 ( 5.936 -21.587 -0.208) 22.389 17.963 ( -12.950 8.893 0.291) 15.713 18.318 ( 4.924 22.300 -0.119) 22.838 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 1.120 0.634 -0.289) 1.319 2.905 ( -0.005 -0.811 0.392) 0.901 3.014 ( -3.965 -10.508 0.203) 11.233 3.029 ( -3.029 -9.257 -0.247) 9.743 3.601 ( 3.547 1.385 -0.188) 3.812 3.700 ( 3.001 3.836 0.095) 4.871 4.817 ( -5.341 -15.863 -0.257) 16.740 5.009 ( -0.857 0.863 -0.066) 1.217 5.621 ( 1.223 -9.838 -0.236) 9.916 6.607 ( -11.348 -18.615 0.182) 21.802 7.773 ( 4.761 2.656 -0.181) 5.455 8.132 ( 9.661 11.136 -0.044) 14.743 11.968 ( -13.987 -19.528 0.055) 24.020 12.887 ( 2.763 16.580 0.399) 16.813 13.487 ( 3.708 9.392 -0.148) 10.098 16.690 ( -6.381 -21.961 -0.025) 22.870 17.940 ( -0.973 11.310 -0.040) 11.352 18.665 ( 9.389 19.766 0.062) 21.883 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -4.879 -8.450 -0.000) 9.758 2.846 ( -3.552 -6.152 0.000) 7.103 2.904 ( 0.639 1.107 -0.000) 1.279 2.936 ( -0.772 -1.336 -0.000) 1.543 3.658 ( 1.068 1.850 -0.000) 2.136 3.777 ( 1.864 3.228 0.000) 3.728 4.465 ( -11.667 -20.208 0.000) 23.335 5.071 ( 2.693 4.665 -0.000) 5.387 5.564 ( -1.033 -1.789 0.000) 2.066 6.232 ( -10.540 -18.256 -0.000) 21.080 7.869 ( 2.069 3.584 0.000) 4.138 8.366 ( 5.538 9.592 -0.000) 11.075 11.542 ( -11.473 -19.872 -0.000) 22.946 13.147 ( 8.657 14.994 -0.000) 17.313 13.630 ( 3.842 6.655 -0.000) 7.684 16.333 ( -10.648 -18.443 -0.000) 21.296 18.092 ( 5.206 9.017 0.000) 10.412 18.984 ( 8.145 14.108 -0.000) 16.291 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.000 -0.051 0.229) 0.235 2.715 ( -0.000 0.053 -0.213) 0.219 2.900 ( 0.000 0.074 0.207) 0.220 2.966 ( -0.000 0.045 -0.264) 0.268 3.702 ( -0.000 -0.128 -0.101) 0.163 3.861 ( 0.000 0.039 0.087) 0.095 3.955 ( 0.000 -0.121 0.080) 0.145 5.218 ( 0.000 0.048 0.388) 0.391 5.553 ( 0.000 -0.457 -0.033) 0.459 5.772 ( -0.000 0.075 -0.021) 0.078 7.921 ( 0.000 -0.126 0.251) 0.281 8.614 ( -0.000 0.095 -0.677) 0.684 11.102 ( 0.000 0.020 0.019) 0.028 13.487 ( 0.000 0.431 0.428) 0.607 13.748 ( 0.000 -0.318 0.254) 0.407 15.904 ( -0.000 0.006 -0.030) 0.031 18.291 ( 0.000 -0.087 0.000) 0.087 19.295 ( -0.000 0.118 -0.316) 0.337 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 6.160 -1.315 0.218) 6.302 2.749 ( 4.866 -1.707 -0.185) 5.160 2.896 ( -0.034 -0.978 0.277) 1.017 2.953 ( -0.996 -0.698 -0.210) 1.235 3.676 ( -0.957 -3.360 -0.333) 3.509 3.816 ( -2.641 -1.786 0.187) 3.194 4.101 ( 16.500 -2.494 -0.122) 16.688 5.118 ( -4.836 -6.801 0.426) 8.355 5.564 ( -1.865 2.632 -0.532) 3.269 5.920 ( 15.390 1.161 0.107) 15.434 7.877 ( -1.949 -5.331 0.097) 5.677 8.545 ( -6.048 -3.362 -0.714) 6.957 11.247 ( 13.739 4.856 0.033) 14.572 13.409 ( -11.753 5.585 1.095) 13.058 13.724 ( -4.489 2.751 -0.110) 5.266 16.025 ( 13.479 -0.439 -0.004) 13.486 18.240 ( -5.968 0.935 -0.083) 6.041 19.228 ( -8.730 1.502 -0.244) 8.862 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 10.014 -2.752 0.241) 10.388 2.833 ( 6.995 -3.544 -0.056) 7.842 2.885 ( 1.152 -2.027 -0.061) 2.332 2.924 ( -1.032 -1.335 0.008) 1.688 3.609 ( -1.550 -5.531 -0.554) 5.771 3.743 ( -3.146 -2.989 0.308) 4.351 4.421 ( 23.906 -4.653 -0.394) 24.358 4.989 ( -1.741 -6.567 0.366) 6.804 5.528 ( -2.309 -2.429 -0.690) 3.422 6.248 ( 20.323 1.295 0.288) 20.366 7.765 ( -2.622 -8.211 -0.142) 8.621 8.348 ( -11.108 -6.488 -0.709) 12.883 11.623 ( 21.694 7.736 0.047) 23.032 13.249 ( -16.277 11.797 1.159) 20.136 13.644 ( -8.739 3.740 -0.070) 9.506 16.294 ( 18.692 -3.595 -0.052) 19.035 18.141 ( -7.807 5.032 0.046) 9.288 19.035 ( -16.197 2.828 -0.232) 16.443 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.697 -3.367 -0.338) 3.455 2.895 ( 0.060 -1.715 0.646) 1.834 2.935 ( 10.125 -5.371 0.245) 11.464 2.955 ( 8.235 -4.698 -0.413) 9.490 3.523 ( -1.237 -6.039 -0.745) 6.210 3.662 ( -2.685 -2.856 0.408) 3.941 4.718 ( 13.294 -6.657 -0.454) 14.874 4.994 ( 11.632 -3.876 0.013) 12.261 5.429 ( -2.600 -9.814 -0.619) 10.172 6.583 ( 18.647 -3.518 0.558) 18.984 7.671 ( 1.009 -5.239 -0.417) 5.352 8.060 ( -13.383 -8.106 -0.675) 15.661 12.054 ( 18.525 5.944 0.305) 19.457 13.126 ( -14.663 17.217 0.117) 22.615 13.512 ( -10.659 4.420 0.719) 11.561 16.523 ( 15.244 -10.458 -0.359) 18.490 18.128 ( -2.921 12.547 0.560) 12.895 18.755 ( -20.269 4.997 -0.376) 20.880 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 1.613 -3.188 -0.486) 3.606 2.887 ( 0.597 -1.260 0.839) 1.628 2.998 ( 5.138 -8.775 -0.296) 10.173 3.017 ( 5.239 -8.672 0.128) 10.133 3.472 ( 2.071 -3.943 -0.762) 4.518 3.622 ( 0.575 -0.764 0.389) 1.032 4.767 ( 4.002 -6.782 -0.209) 7.877 5.212 ( -3.054 2.568 -0.994) 4.112 5.262 ( 15.119 -22.610 -0.098) 27.200 6.741 ( 7.659 -12.738 0.610) 14.876 7.730 ( 4.549 -1.809 -1.163) 5.032 7.804 ( -3.202 -1.616 0.145) 3.590 12.262 ( 1.797 -2.983 0.690) 3.551 13.078 ( -12.017 18.283 -0.791) 21.893 13.443 ( -4.020 10.152 1.080) 10.972 16.595 ( 9.060 -15.952 -0.519) 18.353 18.233 ( -5.297 11.644 1.042) 12.834 18.538 ( -9.760 14.196 -0.604) 17.238 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 2.576 -2.731 -0.270) 3.764 2.890 ( 0.733 -1.372 0.892) 1.794 2.946 ( -0.193 -10.286 0.178) 10.289 2.955 ( 0.360 -9.989 -0.592) 10.013 3.516 ( 5.746 -1.854 -0.508) 6.059 3.667 ( 3.920 0.933 0.224) 4.036 4.715 ( -1.085 -15.299 -0.369) 15.341 5.004 ( -1.991 -10.352 -0.228) 10.544 5.436 ( 10.157 -3.272 -0.828) 10.703 6.592 ( -6.283 -17.736 0.304) 18.819 7.684 ( 3.964 -3.451 -0.806) 5.317 8.026 ( 13.379 7.087 0.303) 15.143 12.054 ( -14.690 -13.157 0.283) 19.723 13.105 ( -6.246 20.427 0.709) 21.372 13.551 ( 1.011 12.793 -0.367) 12.838 16.519 ( 1.636 -18.655 -0.236) 18.728 18.148 ( -9.971 9.191 0.032) 13.561 18.731 ( 5.863 19.625 0.287) 20.484 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 0.000 -2.702 0.157) 2.707 2.681 ( 0.000 -3.450 -0.139) 3.453 2.885 ( 0.000 -1.787 0.402) 1.832 2.946 ( 0.000 -2.381 -0.207) 2.390 3.636 ( 0.000 -6.092 -0.571) 6.119 3.819 ( 0.000 -4.428 0.269) 4.436 3.910 ( 0.000 -4.386 -0.227) 4.392 5.064 ( 0.000 -11.711 0.654) 11.729 5.676 ( -0.000 8.648 -1.067) 8.714 5.748 ( 0.000 -2.551 0.203) 2.559 7.817 ( 0.000 -9.934 -0.057) 9.934 8.544 ( -0.000 -7.055 -0.839) 7.105 11.201 ( -0.000 9.889 0.066) 9.889 13.588 ( 0.000 9.132 1.974) 9.342 13.815 ( -0.000 7.353 -0.644) 7.382 15.904 ( -0.000 -0.034 -0.031) 0.046 18.299 ( -0.000 0.900 -0.083) 0.903 19.322 ( -0.000 2.560 -0.247) 2.571 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 6.234 -4.232 0.068) 7.535 2.681 ( 4.801 -5.052 -0.013) 6.970 2.856 ( -0.130 -4.177 -0.254) 4.187 2.913 ( -0.395 -3.121 0.423) 3.175 3.560 ( -0.686 -7.544 -0.817) 7.619 3.741 ( -1.820 -6.087 0.380) 6.364 4.009 ( 16.264 -6.666 -0.396) 17.581 4.934 ( -1.560 -10.512 0.793) 10.656 5.593 ( -6.467 -0.678 -0.841) 6.557 5.953 ( 15.686 1.230 -0.046) 15.734 7.695 ( -1.090 -12.082 -0.316) 12.135 8.406 ( -5.724 -10.533 -0.958) 12.026 11.429 ( 12.587 13.456 0.060) 18.426 13.614 ( -9.821 14.083 2.318) 17.325 13.838 ( -7.072 9.240 -0.852) 11.667 16.009 ( 11.560 -1.152 -0.072) 11.618 18.277 ( -3.635 2.757 0.129) 4.564 19.276 ( -8.619 3.148 -0.313) 9.181 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 9.471 -6.572 -0.177) 11.530 2.726 ( 6.421 -6.959 0.406) 9.477 2.812 ( 2.543 -6.613 -0.994) 7.154 2.883 ( -0.124 -2.200 0.966) 2.405 3.468 ( -0.824 -7.871 -1.007) 7.978 3.649 ( -1.381 -6.990 0.471) 7.141 4.285 ( 23.859 -9.008 -0.625) 25.510 4.834 ( 1.086 -8.667 0.868) 8.778 5.457 ( -6.542 -4.656 -1.042) 8.097 6.233 ( 17.909 -4.230 0.438) 18.407 7.577 ( 1.059 -9.398 -0.628) 9.478 8.154 ( -9.786 -12.828 -1.060) 16.169 11.835 ( 17.565 13.537 0.134) 22.177 13.569 ( -14.882 19.770 1.096) 24.769 13.763 ( -11.307 8.572 0.328) 14.193 16.203 ( 13.212 -5.327 -0.395) 14.251 18.274 ( -1.835 8.041 0.692) 8.277 19.101 ( -15.331 3.594 -0.492) 15.754 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 4.327 -9.640 -0.303) 10.571 2.799 ( 8.099 -8.508 0.121) 11.747 2.831 ( 6.398 -7.708 -0.345) 10.023 2.870 ( 0.707 -1.789 0.775) 2.074 3.391 ( 0.953 -6.620 -1.061) 6.772 3.577 ( 0.987 -6.114 0.454) 6.210 4.545 ( 15.804 -12.281 -0.604) 20.024 4.830 ( 9.686 -10.911 0.631) 14.604 5.290 ( -5.964 -4.111 -1.154) 7.335 6.432 ( 13.800 -12.401 0.680) 18.566 7.590 ( 7.860 -2.181 -0.816) 8.198 7.854 ( -9.267 -12.386 -0.961) 15.499 12.190 ( 8.874 7.241 0.396) 11.460 13.505 ( -15.992 20.576 -1.398) 26.097 13.676 ( -9.343 12.704 2.470) 15.962 16.313 ( 8.846 -10.253 -0.731) 13.562 18.382 ( 1.061 12.083 1.413) 12.211 18.865 ( -15.617 6.296 -0.833) 16.860 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 5.721 -8.815 -0.011) 10.509 2.808 ( 4.161 -10.115 -0.355) 10.943 2.822 ( 2.804 -10.762 0.133) 11.122 2.873 ( 1.273 -1.264 0.573) 1.884 3.388 ( 5.191 -4.129 -0.898) 6.693 3.579 ( 4.928 -3.850 0.329) 6.262 4.541 ( 2.588 -20.081 -0.417) 20.251 4.840 ( 5.343 -13.146 0.167) 14.191 5.291 ( 6.806 3.264 -1.225) 7.647 6.438 ( 4.215 -17.842 0.389) 18.337 7.607 ( -2.207 -7.684 -1.628) 8.158 7.826 ( 14.834 1.077 0.406) 14.878 12.190 ( -10.748 -4.177 0.360) 11.537 13.470 ( -11.362 22.060 0.562) 24.820 13.719 ( -4.232 16.865 0.168) 17.389 16.308 ( 4.250 -13.020 -0.507) 13.706 18.404 ( -10.230 5.892 0.506) 11.816 18.844 ( 1.413 15.971 0.049) 16.033 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 0.000 -6.700 -0.306) 6.707 2.586 ( 0.000 -5.901 0.271) 5.907 2.784 ( -0.000 -10.434 -1.102) 10.492 2.892 ( 0.000 -2.103 1.384) 2.517 3.487 ( -0.000 -8.150 -1.107) 8.225 3.686 ( 0.000 -9.427 0.435) 9.437 3.790 ( 0.000 -7.482 -0.431) 7.495 4.846 ( 0.000 -10.224 1.086) 10.281 5.675 ( 0.000 -5.044 0.406) 5.060 5.779 ( -0.000 0.580 -1.220) 1.351 7.577 ( 0.000 -12.965 -0.613) 12.980 8.331 ( 0.000 -14.179 -1.263) 14.235 11.475 ( -0.000 17.744 0.030) 17.744 13.834 ( 0.000 14.285 3.347) 14.672 14.035 ( -0.000 15.786 -1.743) 15.882 15.903 ( -0.000 0.010 -0.029) 0.030 18.325 ( 0.000 1.667 0.372) 1.708 19.379 ( -0.000 2.835 -0.430) 2.868 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 6.700 -9.301 -0.532) 11.476 2.564 ( 4.104 -6.954 0.544) 8.093 2.668 ( 2.041 -14.595 -1.273) 14.792 2.872 ( -0.487 -1.665 1.457) 2.265 3.399 ( -0.536 -8.409 -1.292) 8.525 3.576 ( -0.448 -11.128 0.477) 11.147 3.849 ( 15.256 -9.251 -0.550) 17.851 4.752 ( -0.417 -7.982 1.251) 8.090 5.520 ( -7.248 -6.563 -0.509) 9.791 5.906 ( 13.938 -7.553 0.153) 15.854 7.462 ( 0.789 -10.098 -0.921) 10.171 8.133 ( -4.991 -16.378 -1.610) 17.197 11.754 ( 10.316 19.294 0.010) 21.878 13.938 ( -5.902 16.684 3.717) 18.083 14.092 ( -12.174 17.870 -2.095) 21.724 15.983 ( 8.416 -1.366 -0.234) 8.529 18.345 ( 0.276 3.794 0.889) 3.907 19.329 ( -8.280 1.866 -0.591) 8.508 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 5.826 -13.902 -0.350) 15.078 2.552 ( 8.692 -12.758 -0.453) 15.444 2.630 ( 7.005 -9.089 -0.175) 11.476 2.853 ( -0.101 -1.562 1.180) 1.960 3.309 ( 0.220 -8.111 -1.280) 8.214 3.470 ( 1.492 -11.513 0.426) 11.617 4.066 ( 21.122 -12.968 -0.685) 24.794 4.690 ( 0.962 -5.848 1.196) 6.046 5.324 ( -5.828 -9.063 -0.804) 10.805 6.055 ( 15.174 -13.998 0.754) 20.658 7.435 ( 5.858 -5.269 -0.803) 7.920 7.859 ( -7.758 -15.512 -1.983) 17.457 12.130 ( 10.848 16.046 0.086) 19.369 13.985 ( -9.755 15.030 3.351) 18.229 14.001 ( -17.457 22.466 -1.724) 28.503 16.097 ( 7.662 -4.940 -0.733) 9.145 18.442 ( 3.959 8.221 1.580) 9.260 19.151 ( -13.287 1.311 -0.852) 13.379 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 8.413 -14.950 -0.187) 17.156 2.579 ( 8.339 -14.192 -0.608) 16.472 2.652 ( 5.369 -9.637 0.281) 11.035 2.846 ( 0.783 -1.265 0.842) 1.709 3.264 ( 3.567 -6.181 -1.130) 7.226 3.424 ( 5.659 -9.683 0.306) 11.220 4.203 ( 12.025 -21.118 -0.570) 24.308 4.677 ( 3.192 -4.772 0.807) 5.798 5.211 ( 2.930 -4.519 -1.024) 5.482 6.123 ( 11.041 -18.549 0.568) 21.594 7.554 ( 11.705 -9.804 0.279) 15.270 7.607 ( -4.283 -3.924 -2.531) 6.336 12.323 ( -3.641 6.201 0.191) 7.193 13.901 ( -14.015 21.310 0.388) 25.508 14.026 ( -9.929 20.519 0.970) 22.816 16.132 ( 4.214 -7.729 -0.734) 8.834 18.572 ( -1.934 5.845 1.377) 6.309 18.991 ( -5.279 6.845 -0.625) 8.667 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.000 -12.751 -0.820) 12.777 2.466 ( 0.000 -6.606 0.662) 6.639 2.467 ( 0.000 -20.984 -1.195) 21.018 2.866 ( 0.000 -1.459 1.444) 2.053 3.313 ( -0.000 -9.565 -1.460) 9.676 3.453 ( 0.000 -14.650 0.407) 14.655 3.627 ( 0.000 -8.712 -0.485) 8.725 4.692 ( 0.000 -5.762 1.408) 5.932 5.557 ( 0.000 -7.124 0.546) 7.145 5.629 ( 0.000 -16.353 -0.162) 16.354 7.358 ( -0.000 -9.124 -1.088) 9.189 8.005 ( -0.000 -17.004 -2.303) 17.160 11.872 ( -0.000 22.297 -0.078) 22.297 14.154 ( 0.000 16.801 4.199) 17.318 14.406 ( -0.000 22.417 -2.783) 22.589 15.905 ( -0.000 0.156 -0.022) 0.157 18.363 ( 0.000 1.820 1.229) 2.197 19.405 ( -0.000 -0.580 -0.608) 0.840 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 7.805 -14.794 -0.754) 16.744 2.266 ( 3.321 -23.426 -0.929) 23.678 2.444 ( 4.843 -7.549 0.528) 8.985 2.846 ( -0.621 -1.843 1.160) 2.264 3.210 ( 0.325 -10.837 -1.332) 10.923 3.309 ( 1.367 -16.223 0.249) 16.283 3.656 ( 12.816 -9.992 -0.538) 16.259 4.647 ( -0.364 -3.228 1.346) 3.516 5.307 ( -6.900 -16.612 0.066) 17.988 5.666 ( 13.570 -14.899 0.849) 20.171 7.282 ( 2.924 -11.284 -0.707) 11.678 7.817 ( -4.075 -11.695 -3.040) 12.753 12.159 ( 6.959 21.572 -0.102) 22.667 14.286 ( -5.472 17.826 4.454) 19.171 14.498 ( -13.951 23.409 -2.968) 27.412 15.958 ( 5.151 -0.994 -0.392) 5.261 18.425 ( 4.667 3.641 1.671) 6.150 19.318 ( -7.409 -3.414 -0.587) 8.179 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 9.065 -22.923 -0.544) 24.656 2.266 ( 10.629 -16.231 -0.556) 19.410 2.464 ( 6.024 -8.572 0.403) 10.485 2.823 ( 0.367 -2.374 0.875) 2.557 3.128 ( 3.077 -10.252 -1.108) 10.761 3.206 ( 5.313 -15.216 0.061) 16.117 3.789 ( 14.524 -14.689 -0.529) 20.663 4.624 ( 0.158 -1.449 1.096) 1.824 5.078 ( 0.996 -16.213 -0.194) 16.244 5.744 ( 12.623 -16.489 0.740) 20.779 7.237 ( 9.172 -18.196 -0.112) 20.377 7.665 ( -5.211 -0.230 -3.100) 6.067 12.440 ( 1.826 15.251 -0.031) 15.360 14.330 ( -11.459 19.769 3.361) 23.096 14.453 ( -15.380 23.051 -1.638) 27.759 16.013 ( 3.470 -3.219 -0.771) 4.796 18.588 ( 6.529 5.462 1.717) 8.684 19.127 ( -8.210 -3.802 -0.597) 9.067 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.000 -27.437 -0.879) 27.451 2.010 ( 0.000 -18.359 -1.003) 18.386 2.331 ( 0.000 -7.403 0.677) 7.434 2.828 ( 0.000 -4.398 1.025) 4.516 3.082 ( 0.000 -13.745 -1.213) 13.798 3.125 ( 0.000 -17.840 -0.056) 17.840 3.458 ( 0.000 -8.195 -0.410) 8.205 4.635 ( 0.000 -0.739 1.167) 1.382 5.166 ( 0.000 -29.480 1.271) 29.507 5.406 ( 0.000 -8.372 0.591) 8.392 7.100 ( 0.000 -20.638 -0.639) 20.648 7.774 ( -0.000 -2.344 -3.560) 4.262 12.321 ( -0.000 23.160 -0.200) 23.161 14.524 ( 0.000 19.252 5.232) 19.950 14.858 ( -0.000 24.595 -4.280) 24.965 15.910 ( -0.000 0.341 -0.010) 0.341 18.399 ( 0.000 1.068 1.622) 1.942 19.323 ( 0.000 -8.428 0.079) 8.429 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 5.838 -28.225 -0.673) 28.831 1.910 ( 9.782 -19.740 -0.796) 22.046 2.296 ( 4.090 -7.851 0.539) 8.869 2.753 ( 1.621 -12.965 0.878) 13.095 2.956 ( 2.358 -14.647 -1.267) 14.889 2.992 ( 1.884 -11.587 -0.034) 11.739 3.465 ( 9.163 -9.165 -0.397) 12.966 4.632 ( -0.641 0.935 0.792) 1.383 4.857 ( -0.275 -27.793 1.337) 27.827 5.416 ( 9.394 -10.869 0.673) 14.382 6.897 ( 4.751 -26.762 -0.687) 27.190 7.757 ( -3.140 5.261 -3.088) 6.861 12.573 ( 2.637 20.329 -0.186) 20.500 14.680 ( -5.652 20.639 5.651) 22.132 14.944 ( -14.901 23.123 -4.287) 27.841 15.944 ( 2.778 -0.103 -0.440) 2.815 18.490 ( 8.564 2.260 1.132) 8.929 19.166 ( -5.414 -12.749 0.804) 13.875 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 -30.312 -0.602) 30.318 1.599 ( 0.000 -23.096 -1.054) 23.120 2.186 ( 0.000 -7.517 0.562) 7.538 2.515 ( 0.000 -28.492 0.459) 28.496 2.769 ( 0.000 -17.782 -0.943) 17.807 2.933 ( 0.000 -1.332 -0.090) 1.335 3.310 ( 0.000 -6.642 -0.278) 6.648 4.545 ( 0.000 -28.509 0.655) 28.516 4.678 ( 0.000 -0.207 2.068) 2.078 5.243 ( 0.000 -8.350 0.531) 8.367 6.565 ( 0.000 -31.453 -1.230) 31.477 7.850 ( -0.000 8.915 -2.488) 9.256 12.753 ( -0.000 20.624 -0.264) 20.625 14.945 ( 0.000 21.372 6.799) 22.427 15.313 ( -0.000 23.784 -6.073) 24.547 15.918 ( -0.000 0.459 0.001) 0.459 18.407 ( -0.000 -0.876 -0.645) 1.088 19.056 ( 0.000 -19.814 3.539) 20.127 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.104 ( 0.000 -0.000 8.402) 8.402 0.104 ( 0.000 -0.000 8.402) 8.402 0.111 ( 0.000 -0.000 15.773) 15.773 1.908 ( -0.000 0.000 -0.618) 0.618 1.908 ( -0.000 0.000 -0.618) 0.618 3.108 ( 0.000 -0.000 0.124) 0.124 3.108 ( 0.000 -0.000 0.124) 0.124 3.197 ( -0.000 0.000 -0.361) 0.361 4.950 ( -0.000 0.000 -0.038) 0.038 4.950 ( -0.000 0.000 -0.038) 0.038 5.248 ( -0.000 0.000 -1.049) 1.049 8.317 ( 0.000 -0.000 4.949) 4.949 13.420 ( 0.000 -0.000 0.144) 0.144 13.420 ( 0.000 -0.000 0.144) 0.144 15.936 ( -0.000 0.000 -0.090) 0.090 15.936 ( -0.000 0.000 -0.090) 0.090 16.698 ( 0.000 -0.000 7.099) 7.099 19.427 ( -0.000 0.000 -7.792) 7.792 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 16.973 9.800 6.179) 20.550 0.570 ( 24.270 14.012 1.363) 28.057 0.975 ( 40.757 23.531 1.240) 47.078 1.946 ( 3.315 1.914 -0.600) 3.875 2.066 ( 12.593 7.271 0.133) 14.542 3.056 ( -5.597 -3.232 -0.770) 6.509 3.131 ( 2.040 1.178 0.135) 2.359 3.517 ( 18.483 10.671 -6.138) 22.208 4.845 ( -5.502 -3.177 -0.041) 6.353 4.991 ( 3.404 1.965 0.042) 3.930 5.406 ( 18.110 10.456 3.740) 21.243 8.239 ( -6.105 -3.525 3.546) 7.891 13.338 ( -7.145 -4.125 0.076) 8.251 15.599 ( 23.200 13.394 -67.853) 72.950 15.814 ( -10.016 -5.783 -2.313) 11.794 15.933 ( -0.223 -0.129 -0.098) 0.276 17.249 ( 48.738 28.139 -19.488) 59.557 18.869 ( -17.524 -10.117 21.377) 29.435 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 24.920 14.387 2.618) 28.893 1.108 ( 22.929 13.238 0.896) 26.492 1.833 ( 34.524 19.932 -0.115) 39.864 2.047 ( 5.586 3.225 -0.601) 6.478 2.410 ( 16.664 9.621 1.228) 19.281 2.959 ( -2.775 -1.602 -0.545) 3.250 3.200 ( 4.042 2.334 0.247) 4.674 3.974 ( 23.299 13.452 -3.383) 27.115 4.742 ( -3.721 -2.149 -0.608) 4.340 5.098 ( 5.912 3.414 -0.033) 6.827 5.938 ( 26.925 15.545 2.252) 31.171 8.071 ( -8.889 -5.132 3.938) 10.994 13.104 ( -13.364 -7.716 0.015) 15.431 15.436 ( -16.048 -9.265 -5.833) 19.427 15.526 ( -14.364 -8.293 -11.727) 20.313 15.926 ( -0.376 -0.217 -0.093) 0.444 18.105 ( 25.335 14.627 -8.535) 30.474 18.800 ( 6.914 3.992 3.442) 8.694 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 26.077 15.055 1.747) 30.161 1.597 ( 20.064 11.584 0.873) 23.184 2.185 ( 6.534 3.772 -0.626) 7.571 2.499 ( 23.755 13.715 -1.729) 27.485 2.784 ( 15.636 9.028 2.043) 18.170 2.937 ( 1.660 0.958 -0.254) 1.933 3.313 ( 5.862 3.385 0.445) 6.784 4.521 ( 20.427 11.793 -2.190) 23.688 4.706 ( 5.416 3.127 -0.137) 6.255 5.247 ( 7.165 4.137 -0.224) 8.276 6.568 ( 27.435 15.840 1.495) 31.715 7.879 ( -8.222 -4.747 4.442) 10.482 12.748 ( -17.903 -10.336 -0.031) 20.673 15.030 ( -18.622 -10.752 -1.464) 21.553 15.142 ( -17.576 -10.148 -4.822) 20.860 15.916 ( -0.404 -0.233 -0.079) 0.473 18.392 ( 4.693 2.710 -0.214) 5.424 19.079 ( 13.635 7.872 -2.178) 15.894 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 23.525 13.582 1.432) 27.201 2.007 ( 16.052 9.268 0.876) 18.556 2.331 ( 6.345 3.663 -0.675) 7.358 2.805 ( 4.572 2.640 -2.719) 5.939 3.099 ( 11.564 6.677 2.074) 13.513 3.132 ( 15.108 8.723 0.275) 17.448 3.463 ( 7.268 4.196 0.652) 8.417 4.628 ( 1.591 0.919 -1.260) 2.228 5.206 ( 25.543 14.747 0.364) 29.496 5.410 ( 7.094 4.096 -0.428) 8.203 7.117 ( 18.996 10.968 1.268) 21.972 7.773 ( 0.208 0.120 3.665) 3.673 12.315 ( -20.044 -11.572 -0.060) 23.145 14.603 ( -18.615 -10.747 -3.692) 21.809 14.736 ( -17.795 -10.274 0.791) 20.563 15.908 ( -0.305 -0.176 -0.057) 0.357 18.430 ( -0.294 -0.170 -0.145) 0.369 19.304 ( 6.263 3.616 -0.997) 7.300 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 11.447 6.609 0.866) 13.246 2.456 ( 17.815 10.286 1.261) 20.610 2.463 ( 5.386 3.110 -0.753) 6.265 2.856 ( 1.682 0.971 -2.118) 2.874 3.325 ( 8.214 4.742 1.792) 9.652 3.455 ( 12.629 7.291 -0.337) 14.586 3.636 ( 7.711 4.452 0.735) 8.935 4.705 ( 5.645 3.259 -0.938) 6.585 5.558 ( 5.969 3.446 -0.525) 6.912 5.674 ( 14.065 8.120 1.313) 16.293 7.387 ( 7.637 4.409 1.808) 9.002 7.967 ( 14.318 8.267 1.367) 16.590 11.867 ( -19.232 -11.104 -0.073) 22.207 14.189 ( -17.094 -9.869 -4.308) 20.203 14.358 ( -15.722 -9.077 2.504) 18.326 15.903 ( -0.143 -0.083 -0.030) 0.168 18.401 ( -1.987 -1.147 -0.174) 2.302 19.371 ( 0.310 0.179 -0.349) 0.500 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 6.697 3.867 0.814) 7.776 2.569 ( 4.270 2.465 -0.785) 4.993 2.769 ( 9.543 5.510 1.221) 11.087 2.887 ( 1.452 0.838 -1.739) 2.415 3.495 ( 6.969 4.024 1.133) 8.127 3.689 ( 8.167 4.715 -0.357) 9.437 3.801 ( 6.542 3.777 0.583) 7.576 4.873 ( 9.051 5.225 -0.692) 10.474 5.672 ( 4.217 2.435 -0.441) 4.889 5.815 ( -1.118 -0.645 1.681) 2.119 7.599 ( 11.131 6.426 0.871) 12.882 8.286 ( 12.252 7.074 0.683) 14.164 11.472 ( -15.249 -8.804 -0.076) 17.608 13.833 ( -13.379 -7.724 -3.146) 15.765 14.049 ( -11.777 -6.799 1.707) 13.705 15.901 ( -0.010 -0.006 0.001) 0.011 18.351 ( -2.194 -1.267 -0.022) 2.533 19.343 ( -2.194 -1.267 -0.036) 2.534 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 2.165 1.250 -0.329) 2.522 2.659 ( 3.199 1.847 0.312) 3.707 2.905 ( 3.056 1.765 1.267) 3.750 2.913 ( 0.983 0.568 -1.463) 1.852 3.637 ( 4.980 2.875 0.533) 5.775 3.823 ( 3.839 2.217 -0.236) 4.439 3.920 ( 3.677 2.123 0.227) 4.252 5.091 ( 9.857 5.691 -0.655) 11.400 5.694 ( -8.174 -4.719 1.075) 9.499 5.744 ( 2.211 1.276 -0.205) 2.561 7.838 ( 8.589 4.959 0.015) 9.918 8.496 ( 6.184 3.570 0.869) 7.193 11.200 ( -8.456 -4.882 -0.066) 9.765 13.592 ( -7.209 -4.162 -1.822) 8.521 13.844 ( -6.490 -3.747 0.500) 7.511 15.902 ( 0.037 0.021 0.031) 0.052 18.309 ( -1.411 -0.815 0.078) 1.632 19.294 ( -1.812 -1.046 0.254) 2.107 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -0.134 -0.078 -0.680) 0.698 2.698 ( 0.137 0.079 0.650) 0.669 2.918 ( -0.312 -0.180 -0.935) 1.002 2.944 ( 0.515 0.298 1.033) 1.192 3.696 ( -0.209 -0.121 0.166) 0.293 3.866 ( 0.053 0.031 -0.135) 0.148 3.960 ( -0.194 -0.112 -0.148) 0.268 5.243 ( 0.107 0.062 -0.754) 0.764 5.551 ( -0.757 -0.437 0.101) 0.880 5.770 ( 0.121 0.070 0.039) 0.145 7.938 ( -0.222 -0.128 -0.543) 0.600 8.570 ( 0.179 0.104 1.325) 1.341 11.103 ( 0.033 0.019 -0.035) 0.051 13.514 ( 0.663 0.383 -0.789) 1.099 13.764 ( -0.493 -0.285 -0.466) 0.735 15.902 ( 0.009 0.005 0.056) 0.057 18.291 ( -0.137 -0.079 -0.011) 0.159 19.275 ( 0.189 0.109 0.596) 0.634 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -2.610 -1.507 -0.767) 3.110 2.669 ( -2.753 -1.589 0.750) 3.266 2.890 ( -2.420 -1.397 -0.153) 2.798 2.937 ( -1.243 -0.717 0.573) 1.545 3.628 ( -5.439 -3.140 -0.070) 6.281 3.825 ( -3.745 -2.162 -0.114) 4.326 3.912 ( -3.975 -2.295 -0.340) 4.603 5.088 ( -9.962 -5.751 -0.917) 11.539 5.669 ( 7.290 4.209 -0.625) 8.441 5.749 ( -2.042 -1.179 0.124) 2.361 7.827 ( -8.992 -5.192 -0.718) 10.408 8.508 ( -6.022 -3.477 1.600) 7.135 11.201 ( 8.521 4.919 0.024) 9.839 13.619 ( 8.537 4.929 -0.050) 9.858 13.820 ( 5.582 3.223 -1.031) 6.528 15.902 ( -0.021 -0.012 0.071) 0.075 18.303 ( 1.141 0.659 -0.346) 1.362 19.304 ( 2.142 1.236 0.951) 2.649 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -6.424 -3.709 -0.344) 7.426 2.585 ( -4.552 -2.628 0.368) 5.269 2.769 ( -9.403 -5.429 0.745) 10.883 2.904 ( -1.408 -0.813 -0.140) 1.631 3.477 ( -7.347 -4.242 -0.094) 8.485 3.692 ( -8.110 -4.683 -0.158) 9.366 3.788 ( -6.636 -3.832 -0.276) 7.668 4.868 ( -8.764 -5.060 -1.081) 10.178 5.679 ( -4.202 -2.426 -0.003) 4.852 5.775 ( 0.738 0.426 -0.900) 1.240 7.577 ( -11.682 -6.745 -0.576) 13.502 8.302 ( -12.442 -7.183 1.695) 14.466 11.475 ( 15.305 8.836 0.104) 17.673 13.879 ( 13.827 7.983 -0.694) 15.981 14.014 ( 11.943 6.895 -0.028) 13.790 15.902 ( 0.020 0.012 0.074) 0.077 18.338 ( 1.952 1.127 -0.907) 2.430 19.362 ( 2.392 1.381 1.218) 3.018 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -11.262 -6.502 0.297) 13.007 2.457 ( -18.101 -10.450 0.667) 20.911 2.471 ( -5.574 -3.218 -0.185) 6.438 2.874 ( -1.289 -0.744 -0.145) 1.496 3.304 ( -8.425 -4.864 0.197) 9.730 3.457 ( -12.743 -7.357 -0.202) 14.715 3.624 ( -7.622 -4.400 -0.050) 8.801 4.707 ( -5.065 -2.924 -0.968) 5.928 5.562 ( -6.078 -3.509 -0.248) 7.022 5.635 ( -13.751 -7.939 -1.155) 15.920 7.354 ( -7.965 -4.599 -0.348) 9.204 7.978 ( -15.217 -8.786 1.994) 17.684 11.870 ( 19.265 11.123 0.184) 22.246 14.203 ( 15.165 8.756 -3.785) 17.915 14.367 ( 18.569 10.721 3.559) 21.735 15.904 ( 0.147 0.085 0.061) 0.180 18.380 ( 1.875 1.082 -1.519) 2.645 19.394 ( -0.336 -0.194 1.187) 1.249 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -23.746 -13.710 0.532) 27.425 2.005 ( -15.967 -9.219 0.709) 18.451 2.334 ( -6.391 -3.690 -0.439) 7.392 2.831 ( -3.746 -2.163 -0.125) 4.328 3.078 ( -11.957 -6.904 0.453) 13.815 3.125 ( -15.553 -8.979 -0.075) 17.959 3.456 ( -7.112 -4.106 0.172) 8.214 4.640 ( -0.775 -0.447 -0.670) 1.118 5.175 ( -25.284 -14.598 -1.577) 29.238 5.409 ( -7.230 -4.174 -0.461) 8.362 7.098 ( -18.030 -10.410 0.079) 20.820 7.756 ( -2.068 -1.194 2.448) 3.420 12.320 ( 20.042 11.571 0.241) 23.143 14.556 ( 16.960 9.792 -5.340) 20.299 14.829 ( 20.987 12.117 5.486) 24.847 15.909 ( 0.302 0.175 0.034) 0.351 18.409 ( 0.776 0.448 -1.594) 1.828 19.323 ( -6.825 -3.941 0.248) 7.885 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 18.805 8.742) 20.737 0.595 ( -0.000 27.852 2.412) 27.956 0.964 ( -0.000 47.231 0.660) 47.235 1.941 ( -0.000 3.672 -0.824) 3.763 2.070 ( -0.000 14.812 0.279) 14.815 3.053 ( -0.000 -6.334 -1.175) 6.442 3.133 ( -0.000 2.435 0.224) 2.445 3.495 ( -0.000 20.970 -6.386) 21.921 4.835 ( 0.000 -6.544 -0.217) 6.548 4.985 ( -0.000 3.681 -0.197) 3.686 5.443 ( 0.000 21.603 4.495) 22.066 8.247 ( 0.000 -7.043 4.069) 8.134 13.341 ( 0.000 -8.115 0.220) 8.118 15.407 ( -0.000 25.713 -56.977) 62.510 15.915 ( -0.000 2.370 -11.528) 11.769 15.933 ( -0.000 -0.249 -0.102) 0.269 17.239 ( -0.000 58.699 -16.765) 61.046 18.839 ( 0.000 -28.286 18.290) 33.684 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 12.664 23.321 5.084) 27.020 1.010 ( 13.467 25.343 1.339) 28.730 1.603 ( 21.179 35.863 0.065) 41.650 2.014 ( 3.348 5.255 -0.790) 6.280 2.313 ( 9.086 16.233 1.174) 18.640 2.973 ( -2.124 -3.824 -1.038) 4.496 3.189 ( 2.513 4.621 0.290) 5.268 3.810 ( 12.828 20.553 -4.531) 24.647 4.753 ( -2.206 -4.748 -0.636) 5.274 5.077 ( 4.154 6.249 -0.339) 7.512 5.792 ( 12.769 25.262 3.463) 28.517 8.133 ( -4.943 -8.225 4.230) 10.487 13.197 ( -6.252 -10.372 0.154) 12.112 15.399 ( 1.197 -14.441 -18.607) 23.584 15.642 ( -17.069 -9.444 -3.416) 19.804 15.981 ( -0.973 0.544 -1.983) 2.275 17.986 ( 19.211 45.232 -15.054) 51.397 18.681 ( 3.872 -10.685 7.492) 13.612 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 19.852 22.245 3.111) 29.977 1.485 ( 14.142 22.351 0.960) 26.467 2.142 ( 4.858 6.592 -0.718) 8.220 2.271 ( 21.924 23.236 -1.246) 31.970 2.653 ( 12.455 13.670 2.067) 18.608 2.925 ( -0.100 -0.926 -0.948) 1.329 3.306 ( 3.539 8.351 0.428) 9.080 4.288 ( 20.539 19.277 -2.551) 28.284 4.680 ( -1.067 -3.198 -0.763) 3.456 5.229 ( 4.668 9.458 -0.394) 10.555 6.334 ( 21.181 22.901 2.201) 31.272 7.957 ( -6.971 -7.883 4.781) 11.558 12.932 ( -13.227 -9.862 0.080) 16.499 15.154 ( -5.920 -20.558 -5.735) 22.149 15.212 ( -17.991 -14.723 -3.087) 23.452 15.956 ( -2.141 1.455 0.327) 2.609 18.451 ( -0.345 17.804 -1.094) 17.841 18.847 ( 18.818 2.965 -3.183) 19.314 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 20.999 19.277 2.273) 28.596 1.911 ( 12.103 18.533 0.885) 22.152 2.292 ( 4.848 7.337 -0.729) 8.824 2.720 ( 10.144 7.911 -3.122) 13.237 2.983 ( 11.727 9.660 2.540) 15.404 2.999 ( 9.039 7.099 0.003) 11.493 3.469 ( 3.475 12.559 0.609) 13.045 4.608 ( 1.055 0.310 -1.356) 1.746 4.887 ( 24.170 12.471 -0.267) 27.198 5.418 ( 4.910 13.335 -0.613) 14.224 6.908 ( 21.107 17.756 1.247) 27.610 7.792 ( -4.429 -5.693 4.709) 8.614 12.569 ( -19.075 -7.790 0.010) 20.604 14.753 ( -15.987 -17.751 -4.956) 24.398 14.810 ( -10.318 -19.880 0.924) 22.417 15.946 ( -1.604 2.741 0.463) 3.210 18.501 ( -4.603 6.646 -0.613) 8.108 19.153 ( 13.006 0.774 -1.455) 13.110 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 10.656 13.605 0.663) 17.294 2.274 ( 16.531 15.539 2.013) 22.777 2.439 ( 3.943 7.622 -0.733) 8.612 2.824 ( 2.459 0.852 -2.728) 3.770 3.230 ( 9.000 5.609 2.146) 10.820 3.310 ( 13.198 9.018 -0.294) 15.988 3.663 ( 2.500 16.040 0.742) 16.251 4.646 ( 3.779 1.670 -1.125) 4.283 5.335 ( 17.312 1.850 0.571) 17.420 5.678 ( 7.175 19.228 -0.532) 20.530 7.315 ( 9.102 8.689 1.448) 12.666 7.803 ( 10.092 1.446 2.878) 10.593 12.154 ( -22.193 -4.695 -0.047) 22.684 14.311 ( -14.488 -17.792 -4.627) 23.407 14.444 ( -10.537 -18.489 2.340) 21.409 15.955 ( -1.839 4.977 0.322) 5.316 18.456 ( -5.055 1.855 -0.783) 5.441 19.288 ( 6.206 -4.860 -0.240) 7.886 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 5.594 10.508 0.739) 11.927 2.558 ( 2.667 7.054 -0.742) 7.578 2.657 ( 11.694 9.148 1.661) 14.940 2.861 ( 1.947 0.582 -2.146) 2.955 3.412 ( 7.374 3.580 1.496) 8.333 3.576 ( 9.951 5.136 -0.475) 11.208 3.859 ( 0.613 17.688 0.684) 17.711 4.770 ( 7.692 3.811 -0.931) 8.635 5.536 ( 8.729 -2.628 0.599) 9.136 5.930 ( -0.026 14.900 0.226) 14.901 7.491 ( 7.825 5.539 1.268) 9.670 8.095 ( 16.383 3.879 1.170) 16.876 11.750 ( -21.798 -0.660 -0.072) 21.808 13.909 ( -11.431 -17.354 -3.226) 21.030 14.120 ( -8.632 -14.840 1.561) 17.238 15.979 ( -2.959 7.882 0.180) 8.422 18.376 ( -3.835 -2.090 -0.478) 4.393 19.293 ( 2.562 -7.965 0.130) 8.368 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 0.493 7.255 -0.177) 7.274 2.659 ( 2.050 6.886 0.126) 7.186 2.859 ( 5.196 3.038 1.468) 6.196 2.894 ( 1.579 0.635 -1.621) 2.350 3.566 ( 6.643 2.853 0.762) 7.269 3.744 ( 6.262 1.491 -0.349) 6.446 4.019 ( -2.316 17.177 0.398) 17.337 4.960 ( 9.876 3.738 -0.777) 10.588 5.606 ( 3.763 -5.027 0.777) 6.327 5.966 ( -9.473 12.229 0.104) 15.469 7.717 ( 10.897 4.999 0.275) 11.992 8.363 ( 11.906 0.450 0.996) 11.956 11.426 ( -17.830 4.187 -0.059) 18.315 13.592 ( -5.721 -15.799 -1.989) 16.921 13.880 ( -5.359 -10.108 0.520) 11.452 16.006 ( -4.666 10.581 0.071) 11.565 18.295 ( -1.263 -4.915 -0.132) 5.076 19.245 ( 1.925 -8.753 0.322) 8.968 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -1.994 5.742 -0.675) 6.115 2.732 ( -0.818 5.249 0.642) 5.351 2.914 ( 0.552 0.067 -1.078) 1.213 2.929 ( 1.679 0.247 1.095) 2.020 3.673 ( 3.133 0.567 0.337) 3.202 3.820 ( 2.898 -1.348 -0.222) 3.204 4.107 ( -6.229 15.208 0.049) 16.434 5.138 ( 8.122 -1.204 -0.708) 8.241 5.572 ( -1.870 -3.212 0.432) 3.742 5.922 ( -8.940 12.852 -0.127) 15.656 7.895 ( 5.423 0.765 -0.395) 5.491 8.503 ( 6.059 -3.296 1.320) 7.023 11.246 ( -10.948 9.423 -0.024) 14.445 13.418 ( 2.375 -12.451 -1.187) 12.731 13.748 ( -1.004 -5.699 -0.239) 5.792 16.024 ( -6.336 12.013 0.017) 13.581 18.245 ( 1.705 -5.877 0.017) 6.120 19.206 ( 3.430 -8.026 0.547) 8.745 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -4.289 4.543 -0.730) 6.291 2.737 ( -3.811 3.475 0.722) 5.208 2.905 ( -0.945 -0.956 -0.467) 1.422 2.942 ( -0.001 -0.731 0.666) 0.989 3.669 ( -2.550 -2.649 0.136) 3.679 3.821 ( -0.183 -3.113 -0.183) 3.123 4.102 ( -10.464 12.776 -0.166) 16.515 5.136 ( -3.078 -7.764 -0.795) 8.390 5.559 ( 2.649 -0.401 -0.184) 2.686 5.923 ( -6.685 14.145 -0.072) 15.645 7.888 ( -3.877 -4.602 -0.678) 6.055 8.511 ( 0.181 -6.711 1.614) 6.905 11.247 ( -2.612 14.254 0.017) 14.491 13.433 ( 11.134 -7.534 -0.511) 13.453 13.735 ( 4.301 -2.532 -0.844) 5.062 16.024 ( -7.203 11.511 0.036) 13.579 18.241 ( 3.923 -4.577 -0.141) 6.030 19.212 ( 5.665 -6.753 0.821) 8.852 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -7.193 3.084 -0.553) 7.846 2.676 ( -6.394 1.902 0.542) 6.692 2.849 ( -4.621 -2.818 0.426) 5.429 2.917 ( -1.455 -1.329 -0.012) 1.970 3.552 ( -6.396 -4.521 0.079) 7.833 3.747 ( -4.305 -4.555 -0.206) 6.271 4.006 ( -13.991 10.511 -0.149) 17.500 4.954 ( -8.075 -6.623 -1.102) 10.501 5.585 ( 2.780 -6.113 -0.106) 6.716 5.956 ( -6.930 14.490 -0.342) 16.065 7.697 ( -10.305 -7.256 -0.553) 12.615 8.380 ( -6.331 -10.130 1.682) 12.064 11.429 ( 5.345 17.609 0.062) 18.403 13.638 ( 18.203 -2.153 0.030) 18.330 13.840 ( 10.380 -0.958 -1.187) 10.491 16.007 ( -6.820 9.307 0.117) 11.539 18.285 ( 4.586 -1.438 -0.609) 4.845 19.262 ( 6.948 -5.918 1.083) 9.191 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -11.741 1.026 0.133) 11.787 2.568 ( -7.859 0.316 -0.187) 7.867 2.656 ( -13.658 -5.565 0.846) 14.772 2.882 ( -1.093 -1.269 -0.355) 1.712 3.389 ( -7.231 -4.757 0.294) 8.660 3.580 ( -9.417 -5.952 -0.245) 11.143 3.845 ( -15.684 8.434 0.063) 17.808 4.767 ( -6.637 -4.404 -1.166) 8.050 5.518 ( -1.750 -9.769 -0.133) 9.925 5.911 ( -13.410 8.645 -0.640) 15.968 7.458 ( -9.431 -4.486 -0.189) 10.445 8.112 ( -12.028 -12.593 1.830) 17.510 11.754 ( 11.501 18.594 0.113) 21.863 13.974 ( 19.454 3.034 -1.765) 19.768 14.071 ( 19.375 -1.412 0.893) 19.447 15.980 ( -5.351 6.376 0.222) 8.327 18.358 ( 3.469 2.429 -1.256) 4.418 19.318 ( 5.768 -6.261 1.206) 8.598 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -16.847 -0.527 0.559) 16.864 2.262 ( -22.001 -8.866 0.532) 23.726 2.447 ( -8.824 0.403 -0.332) 8.839 2.850 ( -1.263 -1.467 -0.380) 1.973 3.205 ( -9.592 -5.134 0.644) 10.899 3.311 ( -14.821 -6.974 -0.192) 16.381 3.653 ( -15.056 6.052 0.300) 16.230 4.654 ( -2.649 -1.982 -1.052) 3.471 5.309 ( -10.654 -14.339 -0.471) 17.870 5.671 ( -19.670 4.336 -0.817) 20.159 7.280 ( -11.210 -2.995 0.011) 11.603 7.800 ( -8.449 -9.514 2.574) 12.982 12.158 ( 15.171 16.827 0.160) 22.657 14.313 ( 18.446 4.154 -4.663) 19.474 14.477 ( 26.905 -0.226 3.945) 27.194 15.955 ( -3.380 3.800 0.326) 5.096 18.435 ( 0.862 5.922 -1.727) 6.229 19.314 ( 0.967 -8.082 0.878) 8.187 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 28.115 5.023) 28.560 1.134 ( -0.000 26.259 1.638) 26.310 1.826 ( -0.000 40.095 -0.414) 40.097 2.038 ( -0.000 6.350 -0.889) 6.412 2.421 ( -0.000 19.382 1.598) 19.448 2.953 ( -0.000 -3.185 -1.437) 3.495 3.204 ( -0.000 4.717 0.361) 4.731 3.938 ( -0.000 27.158 -4.176) 27.477 4.727 ( -0.000 -4.655 -0.787) 4.721 5.087 ( -0.000 6.650 -0.331) 6.658 5.982 ( 0.000 30.292 3.404) 30.483 8.094 ( 0.000 -9.787 4.604) 10.816 13.111 ( 0.000 -15.341 0.188) 15.343 15.219 ( -0.000 -15.782 -11.043) 19.262 15.742 ( -0.000 -15.211 -5.454) 16.159 15.926 ( -0.000 -0.411 -0.093) 0.421 18.235 ( -0.000 39.281 -13.613) 41.573 18.582 ( 0.000 -1.236 5.882) 6.011 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 8.528 28.333 3.932) 29.849 1.499 ( 11.266 23.629 1.175) 26.204 2.136 ( 3.652 7.336 -0.817) 8.236 2.268 ( 9.209 30.702 -1.362) 32.082 2.660 ( 5.401 17.723 2.208) 18.659 2.920 ( -0.583 -0.679 -1.425) 1.683 3.309 ( 5.338 7.339 0.469) 9.087 4.272 ( 7.462 27.858 -2.652) 28.961 4.667 ( -1.448 -3.666 -0.870) 4.037 5.220 ( 6.381 8.491 -0.498) 10.633 6.352 ( 7.899 29.608 2.479) 30.743 7.974 ( -3.790 -9.425 4.974) 11.311 12.936 ( -2.247 -16.246 0.134) 16.401 15.008 ( -3.138 -19.771 -5.307) 20.710 15.368 ( -18.052 -17.307 -3.121) 25.202 15.963 ( 2.130 -1.081 0.419) 2.426 18.539 ( 12.348 -3.523 -1.188) 12.896 18.717 ( -0.558 29.724 -3.820) 29.974 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 14.005 24.937 2.997) 28.757 1.917 ( 11.412 20.555 0.879) 23.527 2.288 ( 5.050 8.397 -0.761) 9.828 2.656 ( 8.138 14.332 -3.138) 16.777 2.931 ( 7.608 13.381 2.452) 15.587 2.957 ( 4.072 6.537 -0.232) 7.705 3.521 ( 7.370 13.082 0.627) 15.028 4.603 ( -0.258 1.382 -1.159) 1.822 4.709 ( 12.909 18.368 -0.690) 22.461 5.445 ( 7.864 12.820 -0.735) 15.058 6.811 ( 13.768 24.280 1.393) 27.947 7.819 ( -5.140 -7.703 4.974) 10.512 12.714 ( -7.479 -12.605 0.066) 14.657 14.703 ( -7.489 -22.529 -2.369) 23.859 14.874 ( -17.348 -19.192 -2.364) 25.978 15.983 ( 0.473 1.458 1.071) 1.870 18.623 ( 1.069 0.358 -1.319) 1.735 18.980 ( 6.327 10.498 -1.412) 12.339 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 14.518 18.976 2.087) 23.983 2.276 ( 8.815 17.778 1.040) 19.871 2.456 ( 4.431 9.398 -0.733) 10.416 2.789 ( 2.356 2.122 -3.263) 4.550 3.157 ( 7.188 7.671 2.345) 10.770 3.207 ( 10.266 11.623 -0.208) 15.509 3.797 ( 5.379 20.058 0.762) 20.780 4.610 ( 1.809 1.060 -1.087) 2.361 5.099 ( 14.518 8.796 0.544) 16.984 5.738 ( 8.601 18.863 -0.932) 20.752 7.254 ( 12.577 17.025 0.611) 21.176 7.704 ( -0.226 -4.892 4.220) 6.465 12.438 ( -14.323 -6.023 -0.054) 15.538 14.315 ( -11.125 -22.875 -2.168) 25.529 14.427 ( -11.714 -20.675 -0.682) 23.773 16.023 ( 0.428 4.954 1.040) 5.080 18.587 ( -5.944 1.748 -1.805) 6.454 19.113 ( 6.158 -4.257 0.249) 7.490 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 8.285 12.122 0.614) 14.695 2.582 ( 7.545 14.370 1.694) 16.319 2.613 ( 3.713 10.095 -0.343) 10.762 2.830 ( 1.898 1.058 -2.503) 3.315 3.330 ( 6.569 3.945 1.813) 7.875 3.467 ( 9.314 6.935 -0.570) 11.626 4.074 ( 0.771 24.672 0.787) 24.697 4.693 ( 5.454 3.904 -1.004) 6.782 5.350 ( 10.734 -0.643 1.034) 10.802 6.061 ( 5.327 19.685 -0.704) 20.405 7.477 ( 1.264 7.714 1.225) 7.913 7.837 ( 16.150 0.645 1.878) 16.272 12.125 ( -19.356 1.374 -0.156) 19.405 13.896 ( -11.416 -22.178 -1.512) 24.990 14.074 ( -6.561 -19.527 -0.354) 20.603 16.099 ( -0.018 9.330 0.752) 9.361 18.462 ( -8.249 -1.372 -1.362) 8.473 19.124 ( 4.834 -11.719 0.536) 12.688 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 3.178 9.883 0.361) 10.387 2.729 ( 0.054 10.509 -0.562) 10.524 2.812 ( 5.050 5.887 1.754) 7.953 2.869 ( 1.867 1.231 -1.728) 2.826 3.479 ( 6.890 2.813 1.001) 7.509 3.648 ( 6.926 2.312 -0.482) 7.318 4.292 ( -3.963 24.864 0.624) 25.186 4.852 ( 7.373 5.219 -0.835) 9.071 5.478 ( 7.120 -3.379 1.004) 7.945 6.242 ( -5.176 17.035 -0.433) 17.809 7.604 ( 7.053 5.385 0.592) 8.894 8.120 ( 15.730 -1.881 1.117) 15.881 11.831 ( -20.451 8.455 -0.133) 22.131 13.511 ( -7.843 -21.493 -1.011) 22.902 13.826 ( -2.838 -15.072 -0.432) 15.343 16.200 ( -2.088 14.241 0.390) 14.399 18.296 ( -6.257 -6.049 -0.709) 8.731 19.070 ( 4.587 -14.713 0.519) 15.420 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -2.144 9.208 -0.676) 9.479 2.819 ( -0.827 8.481 0.615) 8.544 2.893 ( 1.744 0.245 0.158) 1.769 2.912 ( 1.159 2.117 -0.105) 2.416 3.609 ( 5.324 1.073 0.505) 5.455 3.746 ( 4.274 -1.193 -0.320) 4.449 4.425 ( -7.938 22.651 0.340) 24.004 5.006 ( 6.367 1.263 -0.603) 6.519 5.544 ( 3.039 -0.759 0.488) 3.170 6.252 ( -11.467 16.753 -0.341) 20.305 7.784 ( 8.217 1.584 -0.150) 8.369 8.312 ( 11.132 -6.050 1.234) 12.730 11.619 ( -17.473 14.864 -0.003) 22.940 13.234 ( -0.447 -19.113 -0.944) 19.142 13.679 ( 0.091 -10.266 -0.423) 10.275 16.293 ( -6.115 18.146 0.064) 19.148 18.151 ( -1.014 -9.595 -0.195) 9.650 19.011 ( 5.976 -15.072 0.554) 16.224 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -4.778 8.282 -0.579) 9.579 2.856 ( -3.540 6.522 0.656) 7.450 2.904 ( 0.098 -0.776 0.095) 0.788 2.935 ( -0.178 0.879 -0.100) 0.902 3.661 ( 0.851 -1.930 0.307) 2.131 3.775 ( 1.932 -3.194 -0.228) 3.739 4.466 ( -11.977 20.200 0.110) 23.484 5.067 ( 2.497 -4.555 -0.464) 5.216 5.562 ( -1.516 1.295 -0.215) 2.005 6.230 ( -10.379 18.290 -0.192) 21.030 7.864 ( 1.737 -3.676 -0.533) 4.100 8.382 ( 5.813 -9.582 1.487) 11.306 11.543 ( -11.450 19.962 0.096) 23.013 13.140 ( 9.253 -14.510 -0.755) 17.226 13.623 ( 3.343 -6.928 -0.617) 7.717 16.333 ( -10.611 18.406 -0.074) 21.246 18.091 ( 5.068 -9.120 -0.049) 10.434 18.991 ( 8.399 -14.020 0.692) 16.358 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -7.322 7.024 -0.471) 10.157 2.827 ( -6.637 4.824 0.525) 8.222 2.882 ( -2.070 -0.735 0.133) 2.200 2.924 ( -0.895 -1.062 -0.032) 1.389 3.600 ( -4.160 -4.249 0.279) 5.953 3.749 ( -0.944 -4.171 -0.234) 4.283 4.416 ( -16.028 18.081 0.091) 24.162 5.000 ( -4.345 -4.954 -0.774) 6.634 5.522 ( -1.580 -3.233 -0.114) 3.600 6.253 ( -8.992 18.445 -0.284) 20.522 7.769 ( -6.055 -6.647 -0.509) 9.006 8.325 ( -0.081 -12.638 1.542) 12.732 11.622 ( -4.057 22.691 0.079) 23.051 13.261 ( 18.396 -8.806 -0.135) 20.395 13.655 ( 7.681 -5.353 -1.137) 9.431 16.293 ( -12.645 14.244 0.063) 19.047 18.145 ( 8.543 -3.936 -0.374) 9.413 19.024 ( 10.477 -12.587 0.888) 16.401 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -10.674 4.122 0.166) 11.444 2.731 ( -8.991 3.013 -0.403) 9.491 2.801 ( -7.420 -1.226 0.782) 7.561 2.891 ( -1.417 -1.150 -0.366) 1.861 3.460 ( -6.582 -4.740 0.401) 8.121 3.654 ( -5.328 -4.684 -0.278) 7.099 4.280 ( -19.769 15.987 0.276) 25.426 4.846 ( -7.830 -3.497 -1.052) 8.639 5.449 ( -0.812 -8.092 0.255) 8.136 6.239 ( -12.580 13.570 -0.513) 18.511 7.575 ( -8.953 -3.943 -0.185) 9.785 8.138 ( -6.402 -14.800 1.536) 16.198 11.836 ( 2.921 22.078 0.015) 22.271 13.570 ( 24.760 -4.256 0.880) 25.138 13.777 ( 12.986 -4.430 -2.006) 13.867 16.198 ( -11.328 8.563 0.339) 14.205 18.284 ( 8.188 2.776 -0.999) 8.704 19.091 ( 10.695 -11.534 1.069) 15.766 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -14.987 -1.816 0.303) 15.100 2.551 ( -15.829 0.907 0.103) 15.855 2.629 ( -10.960 1.767 0.213) 11.104 2.858 ( -1.247 -0.899 -0.547) 1.632 3.303 ( -7.226 -3.886 0.733) 8.237 3.473 ( -10.742 -4.484 -0.294) 11.644 4.063 ( -21.789 11.770 0.477) 24.769 4.697 ( -5.495 -2.173 -1.073) 6.005 5.321 ( -4.810 -9.669 0.346) 10.805 6.060 ( -19.651 6.154 -0.701) 20.604 7.432 ( -7.485 2.539 0.130) 7.905 7.847 ( -9.924 -14.540 1.965) 17.714 12.131 ( 8.427 17.463 -0.003) 19.390 13.986 ( 26.539 -5.597 2.238) 27.215 14.008 ( 19.621 0.765 -3.405) 19.929 16.093 ( -8.132 4.071 0.596) 9.113 18.451 ( 5.260 7.655 -1.606) 9.426 19.145 ( 7.810 -10.881 1.097) 13.438 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 29.670 3.599) 29.887 1.622 ( -0.000 22.892 1.250) 22.926 2.172 ( -0.000 7.528 -0.840) 7.574 2.491 ( -0.000 27.268 -2.161) 27.354 2.802 ( 0.000 18.115 2.388) 18.272 2.926 ( -0.000 1.952 -1.313) 2.353 3.318 ( -0.000 6.745 0.521) 6.765 4.518 ( -0.000 32.347 -1.832) 32.398 4.648 ( -0.000 -2.499 -0.909) 2.659 5.233 ( -0.000 8.245 -0.415) 8.255 6.597 ( -0.000 30.348 2.011) 30.415 7.925 ( 0.000 -8.707 4.983) 10.032 12.756 ( 0.000 -20.664 0.072) 20.664 14.842 ( -0.000 -19.202 -3.402) 19.501 15.350 ( -0.000 -22.229 -2.288) 22.347 15.917 ( -0.000 -0.431 -0.074) 0.437 18.402 ( -0.000 -1.094 -1.179) 1.608 18.996 ( -0.000 24.181 -2.448) 24.304 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 5.662 27.736 3.087) 28.476 1.927 ( 9.437 19.627 0.933) 21.798 2.283 ( 4.220 7.883 -0.765) 8.974 2.710 ( 1.557 12.393 -3.716) 13.032 2.990 ( 1.994 11.706 -0.281) 11.878 2.996 ( 2.338 14.845 2.657) 15.261 3.475 ( 9.224 9.273 0.605) 13.093 4.612 ( -0.848 -1.251 -0.902) 1.760 4.840 ( 0.727 29.241 -0.518) 29.254 5.403 ( 9.218 10.658 -0.606) 14.105 6.918 ( 4.381 26.049 1.388) 26.452 7.834 ( -3.284 -5.663 4.594) 7.998 12.575 ( 2.578 -20.388 0.009) 20.550 14.605 ( -5.038 -19.732 -2.023) 20.465 14.966 ( -15.966 -22.111 -1.928) 27.341 15.954 ( 3.572 -0.019 0.493) 3.606 18.468 ( 8.226 -3.017 -1.077) 8.828 19.147 ( -4.638 14.956 -1.111) 15.698 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 8.604 22.218 2.257) 23.933 2.281 ( 10.606 16.432 0.978) 19.582 2.454 ( 6.115 8.713 -0.690) 10.667 2.781 ( 0.726 2.991 -3.537) 4.688 3.162 ( 3.061 10.220 2.368) 10.928 3.204 ( 5.024 14.464 -0.205) 15.313 3.801 ( 14.558 14.781 0.705) 20.759 4.603 ( 0.241 1.511 -0.893) 1.772 5.087 ( 1.660 16.945 0.649) 17.039 5.728 ( 12.663 16.462 -0.811) 20.785 7.247 ( 8.579 18.144 0.866) 20.089 7.733 ( -5.414 -1.016 3.688) 6.630 12.440 ( 1.707 -15.361 -0.089) 15.456 14.284 ( -9.716 -19.299 -1.306) 21.646 14.454 ( -16.929 -22.471 -1.483) 28.173 16.031 ( 3.730 3.065 0.958) 4.921 18.556 ( 6.149 -5.378 -1.425) 8.293 19.133 ( -7.556 4.403 -0.013) 8.745 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 7.980 14.420 1.140) 16.521 2.598 ( 8.503 13.845 1.490) 16.316 2.644 ( 5.307 10.211 -0.611) 11.524 2.812 ( 1.208 1.796 -2.694) 3.456 3.294 ( 3.250 5.737 1.958) 6.878 3.416 ( 5.634 9.561 -0.595) 11.114 4.217 ( 11.981 21.135 0.760) 24.307 4.660 ( 3.444 4.996 -0.807) 6.122 5.233 ( 3.182 4.775 1.151) 5.853 6.110 ( 11.190 18.622 -0.781) 21.739 7.555 ( 10.080 10.936 0.267) 14.876 7.659 ( -3.521 1.572 2.758) 4.741 12.319 ( -3.772 -6.411 -0.277) 7.444 13.901 ( -13.973 -18.579 0.702) 23.257 13.994 ( -9.476 -22.489 -2.492) 24.531 16.150 ( 4.069 7.625 0.978) 8.697 18.541 ( -1.570 -5.753 -1.718) 6.206 19.005 ( -5.418 -6.627 0.712) 8.589 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 5.519 9.143 0.801) 10.710 2.806 ( 3.195 8.726 -0.502) 9.306 2.828 ( 3.127 9.478 0.610) 9.999 2.855 ( 2.250 3.806 -1.151) 4.569 3.409 ( 4.783 3.716 1.170) 6.169 3.571 ( 5.028 3.887 -0.543) 6.379 4.551 ( 2.559 19.584 0.614) 19.760 4.833 ( 5.594 13.885 -0.575) 14.980 5.315 ( 6.604 -3.383 1.094) 7.500 6.427 ( 4.418 17.783 -0.699) 18.337 7.631 ( -3.071 7.606 0.759) 8.238 7.832 ( 14.976 -1.787 1.059) 15.119 12.182 ( -10.615 3.883 -0.418) 11.310 13.473 ( -12.898 -20.633 1.003) 24.353 13.698 ( -2.457 -17.580 -2.085) 17.872 16.320 ( 3.902 12.959 0.736) 13.553 18.384 ( -9.239 -6.007 -1.438) 11.114 18.853 ( 0.743 -15.722 0.860) 15.763 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 2.481 3.149 0.986) 4.128 2.872 ( 1.189 1.480 -0.938) 2.118 2.941 ( -0.479 10.511 -0.357) 10.528 2.963 ( 0.361 9.338 0.281) 9.349 3.528 ( 5.426 1.644 0.661) 5.708 3.661 ( 4.071 -0.877 -0.405) 4.184 4.723 ( -0.933 14.948 0.410) 14.983 5.004 ( -2.250 11.265 -0.168) 11.488 5.448 ( 9.805 2.453 0.374) 10.114 6.583 ( -6.071 17.666 -0.569) 18.689 7.693 ( 3.432 3.188 0.074) 4.685 8.033 ( 13.503 -7.156 1.086) 15.321 12.049 ( -14.288 13.004 -0.242) 19.321 13.099 ( -7.183 -19.737 0.141) 21.004 13.544 ( 1.772 -12.959 -1.058) 13.122 16.525 ( 1.243 18.593 0.338) 18.638 18.140 ( -9.326 -9.194 -0.735) 13.117 18.735 ( 5.648 -19.568 0.673) 20.378 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 0.728 -0.992 0.777) 1.455 2.898 ( 0.655 1.153 -0.357) 1.373 3.007 ( -3.943 10.490 -0.491) 11.218 3.033 ( -3.253 9.322 0.090) 9.874 3.607 ( 3.346 -1.468 0.441) 3.680 3.696 ( 3.111 -3.793 -0.284) 4.914 4.824 ( -5.496 15.790 0.374) 16.723 5.009 ( -1.162 -0.628 -0.103) 1.325 5.619 ( 0.898 9.326 -0.374) 9.376 6.601 ( -11.107 18.661 -0.355) 21.719 7.771 ( 4.408 -2.750 -0.307) 5.205 8.145 ( 9.890 -11.190 1.242) 14.985 11.968 ( -13.765 19.612 0.124) 23.961 12.878 ( 2.667 -16.233 -0.530) 16.459 13.483 ( 3.659 -9.464 -0.592) 10.164 16.690 ( -6.579 21.872 -0.071) 22.840 17.939 ( -0.784 -11.303 -0.167) 11.331 18.671 ( 9.514 -19.755 0.598) 21.935 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -0.364 -1.233 0.389) 1.343 2.911 ( 0.128 0.045 0.059) 0.148 3.008 ( -7.034 8.987 -0.530) 11.425 3.028 ( -6.913 7.215 0.099) 9.993 3.604 ( -0.800 -3.831 0.406) 3.935 3.697 ( 1.906 -4.449 -0.252) 4.846 4.818 ( -11.296 12.252 0.292) 16.667 5.006 ( 0.766 0.673 -0.131) 1.028 5.609 ( -9.386 3.714 -0.510) 10.107 6.605 ( -10.330 19.188 -0.307) 21.794 7.764 ( -0.451 -5.502 -0.375) 5.533 8.151 ( 5.112 -14.122 1.288) 15.074 11.971 ( -9.944 21.938 0.165) 24.087 12.887 ( 13.787 -10.246 -0.398) 17.182 13.474 ( 5.613 -7.954 -0.712) 9.761 16.689 ( -15.717 16.492 -0.085) 22.782 17.936 ( 9.983 -4.969 -0.197) 11.153 18.676 ( 12.762 -17.992 0.669) 22.069 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -3.255 -1.172 0.319) 3.474 2.900 ( -1.237 -0.401 -0.096) 1.304 2.940 ( -9.521 5.390 -0.552) 10.954 2.951 ( -8.646 5.221 0.313) 10.105 3.516 ( -4.741 -4.152 0.492) 6.321 3.666 ( -1.085 -3.744 -0.282) 3.908 4.714 ( -12.599 8.446 0.286) 15.171 4.996 ( -8.545 7.487 -0.268) 11.365 5.424 ( -7.818 -7.101 0.048) 10.562 6.589 ( -12.312 14.477 -0.476) 19.011 7.669 ( -5.257 -1.893 -0.177) 5.590 8.048 ( -0.389 -15.456 1.198) 15.507 12.056 ( -4.065 19.288 -0.119) 19.712 13.123 ( 21.900 -4.877 0.537) 22.443 13.525 ( 9.675 -6.663 -1.387) 11.828 16.519 ( -16.872 7.806 0.269) 18.592 18.136 ( 12.624 4.078 -0.770) 13.288 18.748 ( 14.348 -15.110 0.829) 20.854 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -10.480 -1.049 0.168) 10.534 2.800 ( -11.546 2.645 -0.206) 11.847 2.829 ( -10.104 1.890 0.355) 10.286 2.874 ( -1.552 -0.346 -0.436) 1.649 3.385 ( -6.313 -2.494 0.727) 6.827 3.580 ( -5.777 -2.219 -0.325) 6.197 4.542 ( -18.678 7.648 0.480) 20.188 4.833 ( -14.040 2.735 -0.638) 14.318 5.284 ( -0.644 -7.307 0.764) 7.375 6.435 ( -17.615 5.720 -0.568) 18.530 7.587 ( -5.911 5.591 0.272) 8.141 7.848 ( -6.275 -14.004 1.131) 15.388 12.192 ( 1.774 11.380 -0.267) 11.521 13.496 ( 25.607 -3.481 1.451) 25.884 13.691 ( 16.065 -1.961 -2.312) 16.349 16.309 ( -13.375 2.519 0.577) 13.622 18.391 ( 10.076 7.025 -1.353) 12.358 18.860 ( 13.211 -10.372 0.958) 16.823 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 27.012 2.689) 27.146 2.029 ( -0.000 18.183 0.947) 18.207 2.317 ( -0.000 7.425 -0.749) 7.462 2.779 ( -0.000 5.008 -4.035) 6.431 3.113 ( -0.000 15.247 1.165) 15.291 3.133 ( -0.000 15.555 1.283) 15.608 3.468 ( -0.000 8.258 0.658) 8.284 4.614 ( -0.000 0.574 -0.806) 0.990 5.156 ( -0.000 30.735 0.168) 30.735 5.396 ( -0.000 8.342 -0.434) 8.353 7.122 ( -0.000 20.661 1.452) 20.712 7.844 ( 0.000 0.865 3.536) 3.640 12.322 ( 0.000 -23.220 -0.060) 23.220 14.458 ( 0.000 -18.909 -1.655) 18.981 14.886 ( 0.000 -23.956 -1.190) 23.986 15.909 ( -0.000 -0.314 -0.057) 0.320 18.378 ( -0.000 -1.041 -0.408) 1.118 19.314 ( -0.000 9.684 -0.822) 9.719 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 7.061 14.956 0.620) 16.550 2.298 ( 3.619 22.400 2.311) 22.808 2.433 ( 5.079 7.953 -0.603) 9.455 2.801 ( -0.380 2.463 -3.442) 4.250 3.247 ( 0.226 10.584 2.344) 10.843 3.303 ( 1.287 15.731 -0.419) 15.789 3.668 ( 12.876 10.023 0.677) 16.331 4.626 ( -0.343 3.295 -0.652) 3.376 5.315 ( -6.383 17.083 0.795) 18.253 5.654 ( 13.293 15.435 -0.289) 20.372 7.306 ( 2.655 11.850 1.663) 12.257 7.866 ( -4.137 9.464 1.972) 10.515 12.159 ( 6.895 -21.635 -0.120) 22.708 14.228 ( -5.283 -18.102 -1.668) 18.931 14.519 ( -14.378 -22.428 -0.510) 26.646 15.964 ( 5.774 0.829 0.226) 5.838 18.406 ( 4.305 -3.225 -0.206) 5.383 19.318 ( -7.128 3.826 -0.579) 8.110 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 6.083 13.200 0.349) 14.538 2.568 ( 8.396 10.748 1.139) 13.686 2.635 ( 6.799 11.425 0.364) 13.300 2.815 ( 0.247 2.183 -2.632) 3.428 3.339 ( 0.019 7.498 1.781) 7.707 3.461 ( 1.465 11.467 -0.529) 11.573 4.080 ( 21.166 12.935 0.637) 24.814 4.674 ( 1.069 6.112 -0.413) 6.219 5.344 ( -5.476 9.251 1.170) 10.814 6.045 ( 14.906 14.361 -0.293) 20.700 7.460 ( 5.660 5.298 1.686) 7.935 7.884 ( -7.984 13.975 0.583) 16.106 12.127 ( 10.671 -16.107 -0.220) 19.323 13.927 ( -8.824 -18.281 -2.865) 20.501 14.028 ( -18.187 -18.572 1.406) 26.032 16.109 ( 8.049 4.617 0.473) 9.291 18.423 ( 3.438 -7.581 -0.290) 8.329 19.156 ( -12.899 -1.426 -0.377) 12.984 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 4.736 9.516 0.546) 10.643 2.798 ( 7.343 7.633 -0.020) 10.591 2.835 ( 3.911 4.986 -0.178) 6.339 2.853 ( 3.675 5.742 -0.693) 6.853 3.412 ( 0.731 6.051 1.060) 6.187 3.568 ( 1.003 6.208 -0.454) 6.305 4.555 ( 15.361 11.984 0.426) 19.487 4.822 ( 10.219 11.517 -0.091) 15.397 5.313 ( -5.963 3.879 1.148) 7.206 6.421 ( 13.657 12.548 -0.414) 18.551 7.613 ( 8.037 1.522 1.492) 8.315 7.862 ( -9.774 12.025 -0.219) 15.498 12.182 ( 8.560 -7.280 -0.395) 11.245 13.517 ( -13.830 -22.317 -0.501) 26.259 13.646 ( -11.008 -10.395 -0.233) 15.142 16.325 ( 8.961 9.921 0.516) 13.379 18.364 ( 0.504 -11.319 -0.479) 11.340 18.873 ( -15.100 -6.714 -0.079) 16.526 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 1.730 2.945 0.933) 3.541 2.868 ( 0.861 1.998 -1.109) 2.442 3.003 ( 5.077 8.814 0.249) 10.175 3.014 ( 4.990 8.231 -0.158) 9.627 3.486 ( 1.921 3.644 0.612) 4.165 3.615 ( 0.620 0.854 -0.365) 1.117 4.771 ( 4.011 6.817 0.169) 7.911 5.229 ( -3.571 -2.796 0.766) 4.599 5.264 ( 15.323 22.513 0.066) 27.233 6.730 ( 7.642 12.833 -0.476) 14.943 7.753 ( 4.947 0.905 1.187) 5.168 7.799 ( -3.766 1.982 -0.391) 4.273 12.250 ( 1.738 2.893 -0.555) 3.420 13.093 ( -12.106 -18.749 0.712) 22.329 13.422 ( -3.709 -9.134 -0.925) 9.901 16.605 ( 8.943 15.692 0.399) 18.066 18.215 ( -5.407 -11.102 -0.745) 12.371 18.549 ( -9.494 -14.527 0.411) 17.359 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 0.267 -0.403 0.784) 0.921 2.894 ( 0.745 1.004 -0.628) 1.399 3.145 ( 0.504 10.068 0.019) 10.081 3.157 ( 0.921 9.681 -0.219) 9.727 3.540 ( 2.455 -0.816 0.500) 2.635 3.613 ( 1.338 -3.806 -0.326) 4.047 4.892 ( 3.582 5.334 0.151) 6.427 5.120 ( -6.302 -0.893 0.386) 6.377 5.695 ( 8.328 20.136 -0.240) 21.792 6.906 ( -2.857 14.938 -0.429) 15.214 7.717 ( -2.393 -0.968 -0.252) 2.593 7.868 ( 9.520 -9.259 0.961) 13.315 12.296 ( -4.091 11.376 -0.306) 12.093 12.765 ( -7.011 -14.084 0.280) 15.735 13.332 ( 2.329 -8.078 -0.567) 8.427 16.919 ( 5.628 21.411 0.114) 22.139 17.955 ( -12.320 -8.754 -0.529) 15.123 18.324 ( 4.670 -22.343 0.562) 22.833 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.185 -1.070 0.472) 1.184 2.909 ( 0.272 0.355 -0.280) 0.528 3.203 ( -5.016 9.296 -0.322) 10.568 3.213 ( -5.254 8.461 0.071) 9.960 3.555 ( 2.000 -3.979 0.472) 4.479 3.602 ( 3.298 -5.347 -0.291) 6.289 4.981 ( -0.844 -0.238 0.166) 0.893 5.025 ( -1.915 4.039 0.198) 4.474 5.874 ( -8.292 13.982 -0.438) 16.262 6.948 ( -8.770 15.782 -0.346) 18.058 7.691 ( 2.165 -4.265 -0.204) 4.787 7.906 ( 7.466 -12.966 0.927) 14.991 12.328 ( -8.438 15.268 0.243) 17.446 12.624 ( 5.211 -8.863 -0.412) 10.290 13.314 ( 4.039 -7.226 -0.372) 8.286 17.114 ( -11.714 20.097 -0.201) 23.262 17.757 ( 3.023 -5.288 -0.081) 6.092 18.260 ( 12.842 -21.962 0.459) 25.445 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -0.289 -0.698 0.287) 0.808 2.908 ( -0.460 -0.119 -0.205) 0.518 3.146 ( -9.220 3.853 0.125) 9.993 3.155 ( -8.752 5.093 -0.299) 10.130 3.531 ( -0.890 -3.073 0.479) 3.235 3.618 ( 2.795 -2.717 -0.270) 3.908 4.883 ( -6.411 -0.395 0.150) 6.425 5.113 ( 3.236 4.582 0.382) 5.623 5.688 ( -22.032 3.400 -0.242) 22.294 6.915 ( -11.231 10.355 -0.426) 15.282 7.703 ( 1.081 1.409 -0.191) 1.787 7.872 ( 3.786 -13.427 0.895) 13.979 12.308 ( -7.607 10.021 -0.278) 12.584 12.763 ( 15.943 -2.321 0.261) 16.113 13.331 ( 5.925 -5.023 -0.565) 7.788 16.913 ( -21.640 5.636 0.116) 22.362 17.957 ( 14.006 7.117 -0.529) 15.720 18.328 ( 17.065 -16.035 0.558) 23.423 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -3.562 -0.172 0.240) 3.574 2.891 ( -1.207 -0.067 -0.539) 1.323 2.996 ( -10.235 0.057 0.228) 10.238 3.017 ( -10.219 0.147 -0.088) 10.221 3.468 ( -4.540 -0.130 0.579) 4.579 3.624 ( -0.925 0.084 -0.282) 0.971 4.766 ( -7.862 0.055 0.157) 7.863 5.206 ( 3.636 -0.919 0.765) 3.827 5.262 ( -27.159 1.249 0.072) 27.188 6.744 ( -14.841 0.202 -0.464) 14.850 7.724 ( -4.027 2.123 0.849) 4.630 7.805 ( 0.228 -2.541 -0.075) 2.552 12.266 ( -3.517 0.047 -0.521) 3.556 13.073 ( 21.755 -0.934 0.580) 21.783 13.448 ( 11.063 1.187 -0.803) 11.156 16.593 ( -18.428 -0.099 0.396) 18.432 18.238 ( 12.862 0.972 -0.816) 12.924 18.535 ( 17.122 -1.064 0.481) 17.162 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.000 12.593 0.797) 12.618 2.452 ( -0.000 6.655 -0.738) 6.696 2.497 ( -0.000 20.622 1.806) 20.701 2.821 ( -0.000 2.116 -2.979) 3.654 3.348 ( 0.000 8.949 1.957) 9.160 3.445 ( -0.000 14.560 -0.424) 14.566 3.639 ( -0.000 8.667 0.702) 8.695 4.674 ( -0.000 5.957 -0.345) 5.967 5.547 ( -0.000 7.176 -0.394) 7.187 5.646 ( -0.000 17.273 1.540) 17.342 7.387 ( 0.000 8.766 1.781) 8.945 8.034 ( -0.000 15.528 0.586) 15.539 11.871 ( 0.000 -22.337 -0.138) 22.337 14.099 ( 0.000 -17.043 -1.584) 17.117 14.431 ( 0.000 -21.790 -0.023) 21.790 15.904 ( -0.000 -0.135 -0.051) 0.144 18.355 ( 0.000 -1.410 0.383) 1.461 19.404 ( -0.000 0.782 -0.748) 1.082 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 6.486 9.026 0.729) 11.139 2.552 ( 4.284 6.942 -0.685) 8.186 2.695 ( 1.978 14.406 1.413) 14.610 2.833 ( -0.264 2.391 -2.315) 3.339 3.426 ( -0.649 7.671 1.380) 7.821 3.567 ( -0.497 11.218 -0.360) 11.235 3.860 ( 15.290 9.137 0.635) 17.823 4.740 ( -0.378 8.274 -0.014) 8.283 5.532 ( -6.366 6.660 0.697) 9.239 5.911 ( 12.967 7.950 0.687) 15.226 7.486 ( 0.765 9.300 1.408) 9.437 8.148 ( -5.060 15.655 -0.204) 16.454 11.753 ( 10.259 -19.303 -0.160) 21.860 13.881 ( -6.298 -16.678 -2.178) 17.960 14.122 ( -11.751 -17.450 1.171) 21.070 15.985 ( 8.711 1.240 0.011) 8.799 18.340 ( 0.030 -3.410 0.477) 3.443 19.327 ( -8.182 -1.821 -0.788) 8.419 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 9.211 5.455 0.250) 10.708 2.720 ( 6.774 7.830 -0.277) 10.357 2.829 ( 1.770 4.959 0.920) 5.345 2.861 ( 0.730 4.324 -1.359) 4.591 3.487 ( -0.964 7.237 0.759) 7.340 3.641 ( -1.403 7.158 -0.251) 7.298 4.296 ( 23.859 8.849 0.455) 25.451 4.828 ( 1.200 8.969 0.256) 9.052 5.478 ( -6.425 4.484 1.001) 7.899 6.230 ( 17.458 4.303 0.111) 17.981 7.594 ( 1.084 8.683 1.041) 8.812 8.159 ( -9.861 12.571 -0.594) 15.988 11.832 ( 17.422 -13.465 -0.189) 22.020 13.533 ( -13.290 -18.754 -2.262) 23.096 13.780 ( -12.681 -9.175 1.861) 15.763 16.207 ( 13.469 5.051 0.067) 14.385 18.271 ( -2.161 -7.660 0.387) 7.968 19.098 ( -15.179 -3.622 -0.732) 15.623 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 1.303 3.108 0.355) 3.389 2.880 ( 0.265 2.673 -0.947) 2.848 2.934 ( 10.075 4.967 0.148) 11.234 2.962 ( 7.586 4.529 0.304) 8.840 3.534 ( -1.279 5.612 0.286) 5.763 3.656 ( -2.723 3.038 -0.137) 4.082 4.725 ( 13.012 6.632 0.237) 14.606 4.997 ( 12.173 3.997 0.305) 12.815 5.442 ( -3.046 9.252 0.756) 9.770 6.576 ( 18.451 3.649 -0.108) 18.809 7.682 ( 1.036 4.662 0.764) 4.836 8.060 ( -13.371 8.127 -0.675) 15.661 12.048 ( 18.235 -5.713 -0.230) 19.110 13.115 ( -13.463 -17.361 -0.925) 21.989 13.514 ( -11.500 -4.053 0.933) 12.229 16.528 ( 15.409 10.150 0.114) 18.452 18.125 ( -3.243 -12.165 0.256) 12.592 18.753 ( -20.047 -5.076 -0.568) 20.687 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.616 0.320 0.527) 0.872 2.892 ( 0.390 0.922 -0.611) 1.172 3.146 ( 8.801 5.151 -0.140) 10.199 3.153 ( 7.802 5.853 0.228) 9.756 3.544 ( -2.107 1.928 0.086) 2.857 3.610 ( -3.853 -0.876 -0.077) 3.952 4.891 ( 2.905 5.785 0.200) 6.477 5.123 ( 2.207 -5.857 0.090) 6.260 5.690 ( 13.745 17.109 0.306) 21.948 6.903 ( 14.522 4.901 -0.114) 15.327 7.710 ( 0.375 -2.243 0.459) 2.320 7.882 ( -13.263 3.567 -0.443) 13.742 12.296 ( 11.808 2.332 -0.282) 12.040 12.768 ( -8.901 -13.561 -0.051) 16.221 13.323 ( -7.450 -1.939 0.246) 7.702 16.919 ( 15.713 15.436 0.119) 22.027 17.948 ( -1.242 -14.850 0.115) 14.902 18.333 ( -22.062 -7.118 -0.309) 23.184 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.482 -0.583 0.154) 0.772 2.907 ( 0.379 0.501 -0.127) 0.641 3.316 ( 3.736 6.377 -0.063) 7.391 3.321 ( 3.898 6.597 0.008) 7.662 3.502 ( -2.012 -2.567 0.305) 3.276 3.519 ( -2.510 -5.048 -0.253) 5.643 4.981 ( 2.220 3.969 0.125) 4.550 5.062 ( -2.268 -3.859 -0.014) 4.476 6.033 ( 6.445 10.892 -0.026) 12.656 7.124 ( 3.838 6.363 -0.107) 7.432 7.662 ( -1.336 -2.828 -0.077) 3.128 7.732 ( -3.030 -4.225 0.220) 5.204 12.462 ( 3.120 5.642 -0.184) 6.450 12.565 ( -3.569 -6.461 0.128) 7.382 13.230 ( -1.208 -2.326 -0.038) 2.621 17.343 ( 12.130 20.788 -0.010) 24.068 17.811 ( -4.134 -7.864 -0.109) 8.885 17.902 ( -10.399 -16.996 0.133) 19.925 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.142 -0.227 0.117) 0.292 2.912 ( -0.074 0.125 -0.099) 0.176 3.317 ( -7.964 -0.116 0.049) 7.965 3.323 ( -7.080 0.372 -0.156) 7.092 3.489 ( 3.303 -0.484 0.326) 3.355 3.528 ( 5.484 0.264 -0.201) 5.494 4.973 ( -4.668 -0.101 0.222) 4.675 5.063 ( 3.903 -0.076 -0.018) 3.903 6.034 ( -12.666 0.248 -0.047) 12.668 7.131 ( -6.917 0.263 -0.200) 6.924 7.669 ( 2.971 0.871 -0.250) 3.106 7.716 ( 4.693 -1.341 0.518) 4.908 12.474 ( -5.979 -0.289 -0.349) 5.996 12.557 ( 7.202 0.328 0.248) 7.213 13.233 ( 2.852 0.215 -0.069) 2.861 17.344 ( -24.464 0.203 -0.018) 24.465 17.819 ( 9.355 0.854 -0.225) 9.396 17.893 ( 19.783 -1.139 0.269) 19.818 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -0.202 0.424 0.198) 0.510 2.907 ( -0.660 0.085 -0.317) 0.737 3.145 ( -9.144 -3.987 0.005) 9.976 3.160 ( -8.790 -4.654 0.041) 9.946 3.528 ( -0.748 2.747 0.294) 2.862 3.620 ( 2.729 2.914 -0.170) 3.996 4.885 ( -6.362 0.462 0.278) 6.385 5.111 ( 3.322 -4.821 0.258) 5.861 5.695 ( -21.880 -2.787 0.226) 22.058 6.917 ( -11.280 -10.088 -0.297) 15.136 7.714 ( 1.480 -1.650 0.485) 2.269 7.856 ( 3.455 12.967 -0.180) 13.421 12.306 ( -7.510 -10.090 -0.405) 12.585 12.760 ( 15.395 2.156 0.049) 15.545 13.340 ( 6.343 5.814 0.027) 8.604 16.914 ( -21.735 -5.606 0.178) 22.447 17.964 ( 14.259 -6.952 -0.086) 15.864 18.318 ( 16.843 15.574 -0.114) 22.940 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 0.000 6.060 0.752) 6.107 2.576 ( -0.000 6.493 -0.749) 6.536 2.806 ( 0.000 9.403 1.181) 9.477 2.858 ( -0.000 3.461 -1.995) 3.995 3.508 ( 0.000 7.431 0.928) 7.489 3.680 ( -0.000 9.568 -0.180) 9.570 3.800 ( -0.000 7.296 0.609) 7.321 4.838 ( -0.000 10.467 0.323) 10.472 5.667 ( -0.000 5.168 -0.312) 5.177 5.808 ( 0.000 -0.684 1.776) 1.903 7.593 ( -0.000 12.189 1.000) 12.230 8.337 ( -0.000 13.880 -0.662) 13.895 11.474 ( 0.000 -17.737 -0.127) 17.738 13.787 ( -0.000 -13.935 -1.529) 14.019 14.061 ( 0.000 -15.781 0.999) 15.812 15.903 ( -0.000 0.007 -0.052) 0.052 18.327 ( 0.000 -1.527 0.622) 1.649 19.374 ( -0.000 -2.720 -0.879) 2.858 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 6.054 3.830 0.463) 7.179 2.677 ( 4.884 5.450 -0.490) 7.334 2.859 ( -0.092 2.670 0.287) 2.687 2.903 ( -0.207 4.894 -0.812) 4.965 3.574 ( -0.762 6.966 0.489) 7.025 3.737 ( -1.867 6.260 -0.056) 6.533 4.017 ( 16.285 6.419 0.454) 17.510 4.932 ( -1.519 10.633 0.511) 10.753 5.608 ( -6.077 0.792 0.680) 6.166 5.958 ( 15.116 -1.745 0.439) 15.223 7.706 ( -1.068 11.519 0.753) 11.593 8.407 ( -5.744 10.495 -0.910) 11.998 11.428 ( 12.565 -13.410 -0.107) 18.377 13.577 ( -9.589 -12.920 -1.402) 16.151 13.861 ( -7.208 -10.038 1.433) 12.440 16.009 ( 11.611 1.111 -0.063) 11.665 18.281 ( -3.726 -2.744 0.507) 4.655 19.271 ( -8.590 -2.975 -0.834) 9.129 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 9.731 2.739 0.153) 10.110 2.830 ( 7.093 3.588 -0.293) 7.955 2.885 ( 1.103 2.155 0.161) 2.426 2.922 ( -0.667 1.361 -0.262) 1.538 3.615 ( -1.617 5.140 0.089) 5.389 3.741 ( -3.166 3.150 0.043) 4.466 4.427 ( 23.905 4.395 0.210) 24.307 4.990 ( -1.664 6.563 0.481) 6.788 5.542 ( -2.455 1.917 0.650) 3.182 6.246 ( 20.167 -1.328 0.067) 20.210 7.773 ( -2.605 7.777 0.580) 8.222 8.345 ( -11.095 6.612 -0.970) 12.953 11.621 ( 21.653 -7.638 -0.112) 22.961 13.230 ( -15.878 -10.878 -0.694) 19.260 13.656 ( -9.054 -4.371 1.135) 10.118 16.295 ( 18.762 3.519 -0.025) 19.089 18.143 ( -7.902 -5.089 0.332) 9.404 19.030 ( -16.152 -2.605 -0.701) 16.376 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 0.310 1.367 0.338) 1.441 2.898 ( -1.383 -0.154 -0.711) 1.563 2.999 ( 11.355 1.715 0.235) 11.487 3.032 ( 9.831 1.984 0.101) 10.030 3.614 ( -2.880 2.205 -0.183) 3.631 3.692 ( -4.847 0.792 0.131) 4.913 4.828 ( 16.307 3.313 -0.024) 16.640 5.006 ( 0.640 -1.287 0.130) 1.443 5.610 ( 7.465 5.353 0.536) 9.202 6.597 ( 21.659 -0.252 0.087) 21.661 7.765 ( -4.425 2.520 0.363) 5.105 8.166 ( -14.961 2.921 -0.850) 15.267 11.971 ( 23.891 -1.976 -0.156) 23.974 12.872 ( -15.202 -6.445 -0.004) 16.512 13.471 ( -9.838 -1.165 0.612) 9.926 16.688 ( 22.192 5.050 0.077) 22.760 17.935 ( -9.436 -5.988 0.165) 11.177 18.682 ( -22.008 -1.796 -0.512) 22.087 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -1.254 -0.387 -0.347) 1.357 2.905 ( 0.293 0.402 0.228) 0.547 3.200 ( 10.659 0.168 0.211) 10.663 3.214 ( 9.920 -0.175 -0.040) 9.921 3.560 ( -4.405 -0.197 -0.380) 4.426 3.599 ( -6.321 0.151 0.249) 6.327 4.983 ( 0.352 -0.601 -0.132) 0.709 5.027 ( 4.236 0.254 -0.130) 4.245 5.869 ( 16.469 -0.134 0.312) 16.472 6.944 ( 18.060 0.209 0.244) 18.063 7.689 ( -4.707 -0.179 0.114) 4.712 7.915 ( -15.219 -0.016 -0.625) 15.232 12.330 ( 17.435 0.243 -0.177) 17.438 12.620 ( -10.189 0.047 0.295) 10.193 13.310 ( -8.089 -0.082 0.264) 8.094 17.112 ( 23.238 -0.067 0.142) 23.239 17.757 ( -6.059 -0.019 0.053) 6.059 18.265 ( -25.568 0.098 -0.319) 25.570 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.360 0.036 -0.188) 0.408 2.912 ( 0.213 -0.040 0.156) 0.267 3.317 ( 3.824 -6.938 -0.038) 7.922 3.322 ( 3.980 -5.925 0.177) 7.140 3.491 ( -2.241 2.560 -0.443) 3.431 3.527 ( -2.405 4.923 0.286) 5.486 4.975 ( 2.202 -4.085 -0.291) 4.650 5.063 ( -2.089 3.425 0.025) 4.012 6.034 ( 6.613 -10.805 0.061) 12.668 7.130 ( 3.807 -5.906 0.261) 7.032 7.667 ( -0.648 3.088 0.281) 3.168 7.719 ( -3.779 3.350 -0.631) 5.089 12.471 ( 2.721 -5.426 0.452) 6.087 12.559 ( -3.261 6.460 -0.319) 7.244 13.232 ( -1.159 2.571 0.090) 2.822 17.344 ( 12.422 -20.984 0.024) 24.385 17.817 ( -3.717 8.542 0.287) 9.320 17.895 ( -11.140 16.445 -0.343) 19.866 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 0.407 0.705 -0.000) 0.814 2.912 ( -0.068 -0.117 -0.000) 0.136 3.210 ( -4.987 -8.637 -0.000) 9.973 3.211 ( -5.226 -9.051 0.000) 10.451 3.548 ( 2.237 3.874 -0.000) 4.473 3.606 ( 3.132 5.424 0.000) 6.263 4.979 ( -0.004 -0.007 -0.000) 0.009 5.022 ( -2.385 -4.131 -0.000) 4.770 5.880 ( -7.980 -13.823 0.000) 15.961 6.953 ( -9.021 -15.625 -0.000) 18.042 7.694 ( 2.434 4.216 0.000) 4.868 7.891 ( 7.303 12.648 -0.000) 14.605 12.324 ( -8.732 -15.124 -0.000) 17.463 12.630 ( 5.213 9.029 -0.000) 10.426 13.319 ( 4.271 7.397 -0.000) 8.541 17.117 ( -11.646 -20.172 0.000) 23.293 17.759 ( 3.067 5.312 0.000) 6.133 18.253 ( 12.631 21.878 -0.000) 25.263 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.000 2.440 0.475) 2.486 2.678 ( -0.000 3.707 -0.466) 3.736 2.881 ( 0.000 1.736 0.201) 1.748 2.943 ( -0.000 2.763 -0.657) 2.840 3.644 ( -0.000 5.618 0.246) 5.623 3.817 ( -0.000 4.554 0.028) 4.554 3.916 ( 0.000 4.087 0.401) 4.107 5.063 ( -0.000 11.629 0.609) 11.645 5.696 ( 0.000 -9.445 0.983) 9.496 5.744 ( -0.000 2.733 -0.193) 2.740 7.824 ( -0.000 9.517 0.627) 9.537 8.542 ( -0.000 7.184 -1.103) 7.268 11.200 ( 0.000 -9.840 -0.047) 9.840 13.563 ( 0.000 -8.004 -0.531) 8.021 13.832 ( 0.000 -8.118 1.020) 8.182 15.904 ( -0.000 0.050 -0.054) 0.074 18.303 ( 0.000 -1.074 0.346) 1.128 19.317 ( -0.000 -2.284 -0.775) 2.412 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 6.098 1.198 0.394) 6.227 2.747 ( 4.881 1.859 -0.398) 5.238 2.896 ( 0.063 1.088 0.316) 1.134 2.951 ( -0.994 0.858 -0.526) 1.414 3.679 ( -0.995 3.000 -0.031) 3.161 3.815 ( -2.651 1.886 0.129) 3.256 4.104 ( 16.492 2.184 0.201) 16.637 5.119 ( -4.793 6.703 0.553) 8.258 5.573 ( -1.971 -3.381 0.391) 3.933 5.919 ( 15.395 -1.176 0.026) 15.440 7.881 ( -1.950 4.966 0.529) 5.362 8.541 ( -6.037 3.594 -1.165) 7.122 11.246 ( 13.728 -4.792 -0.028) 14.541 13.399 ( -11.675 -4.421 0.090) 12.485 13.733 ( -4.545 -3.603 0.792) 5.853 16.025 ( 13.479 0.463 -0.033) 13.487 18.243 ( -5.979 -1.171 0.154) 6.095 19.224 ( -8.720 -1.178 -0.656) 8.824 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 10.056 0.025 0.259) 10.059 2.864 ( 6.660 0.132 -0.257) 6.667 2.907 ( 1.309 -0.184 -0.226) 1.341 2.933 ( -0.956 0.153 0.181) 0.985 3.667 ( -2.017 -0.171 -0.266) 2.042 3.771 ( -3.742 0.067 0.200) 3.747 4.468 ( 23.744 -0.209 -0.085) 23.745 5.059 ( -4.856 -0.089 0.342) 4.869 5.558 ( 1.555 -0.514 0.177) 1.647 6.227 ( 20.936 0.122 0.145) 20.937 7.855 ( -3.901 -0.241 0.358) 3.925 8.407 ( -11.432 0.167 -1.091) 11.485 11.545 ( 23.131 0.051 -0.074) 23.131 13.126 ( -16.978 0.593 0.578) 16.998 13.613 ( -7.648 -0.442 0.475) 7.676 16.331 ( 21.157 0.011 0.055) 21.158 18.090 ( -10.469 -0.132 0.032) 10.469 19.003 ( -16.429 0.201 -0.522) 16.439 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -0.723 -1.121 -0.468) 1.414 2.910 ( -0.484 0.228 0.218) 0.577 3.002 ( 11.406 -1.611 0.424) 11.527 3.029 ( 9.854 -2.301 -0.138) 10.120 3.610 ( -2.882 -2.538 -0.453) 3.867 3.694 ( -4.814 -0.604 0.280) 4.860 4.822 ( 16.209 -3.664 -0.392) 16.623 5.005 ( 0.604 1.050 0.036) 1.212 5.605 ( 7.728 -6.018 0.201) 9.797 6.601 ( 21.725 0.539 0.345) 21.735 7.761 ( -4.434 -3.018 0.112) 5.365 8.165 ( -14.985 -2.698 -0.921) 15.254 11.972 ( 23.968 2.206 -0.074) 24.070 12.881 ( -15.550 7.056 0.565) 17.085 13.467 ( -9.631 0.742 0.398) 9.667 16.688 ( 22.134 -5.196 0.043) 22.736 17.934 ( -9.347 5.951 0.106) 11.081 18.683 ( -22.044 2.071 -0.424) 22.145 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( -0.507 -0.630 -0.395) 0.900 2.906 ( 0.135 -0.486 0.352) 0.615 3.147 ( 8.009 -6.001 -0.146) 10.009 3.154 ( 8.751 -5.044 0.293) 10.105 3.534 ( -2.246 -2.292 -0.570) 3.259 3.617 ( -3.735 1.064 0.337) 3.898 4.885 ( 2.890 -5.760 -0.245) 6.449 5.115 ( 2.284 5.209 -0.457) 5.706 5.687 ( 14.042 -17.293 0.140) 22.277 6.913 ( 14.611 -4.582 0.508) 15.321 7.703 ( 0.628 1.682 -0.008) 1.796 7.877 ( -13.591 -3.465 -0.761) 14.047 12.306 ( 12.345 -1.750 0.423) 12.476 12.765 ( -9.855 12.905 -0.274) 16.241 13.328 ( -7.156 2.493 0.517) 7.595 16.914 ( 15.698 -15.808 -0.175) 22.279 17.954 ( -0.868 15.493 0.514) 15.526 18.331 ( -22.446 6.826 -0.465) 23.466 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.000 -0.098 0.442) 0.452 2.713 ( -0.000 0.101 -0.411) 0.424 2.902 ( 0.000 0.108 0.404) 0.418 2.964 ( -0.000 0.114 -0.507) 0.520 3.701 ( -0.000 -0.237 -0.184) 0.300 3.861 ( 0.000 0.070 0.156) 0.171 3.956 ( 0.000 -0.224 0.147) 0.268 5.221 ( 0.000 0.092 0.721) 0.727 5.553 ( 0.000 -0.848 -0.066) 0.851 5.772 ( -0.000 0.139 -0.039) 0.144 7.923 ( 0.000 -0.235 0.473) 0.528 8.608 ( -0.000 0.179 -1.260) 1.273 11.102 ( 0.000 0.038 0.035) 0.051 13.490 ( 0.000 0.792 0.790) 1.119 13.750 ( 0.000 -0.585 0.468) 0.749 15.904 ( -0.000 0.011 -0.056) 0.057 18.291 ( 0.000 -0.160 0.002) 0.160 19.292 ( -0.000 0.218 -0.585) 0.624 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 6.154 -1.358 0.409) 6.315 2.747 ( 4.875 -1.654 -0.376) 5.161 2.898 ( -0.106 -0.961 0.351) 1.028 2.951 ( -0.934 -0.659 -0.360) 1.198 3.674 ( -0.963 -3.468 -0.367) 3.618 3.817 ( -2.631 -1.751 0.245) 3.170 4.101 ( 16.461 -2.592 -0.049) 16.664 5.121 ( -4.914 -6.767 0.698) 8.392 5.561 ( -1.805 2.372 -0.417) 3.009 5.921 ( 15.429 1.184 0.125) 15.475 7.878 ( -1.968 -5.466 0.327) 5.818 8.539 ( -6.021 -3.287 -1.254) 6.974 11.247 ( 13.723 4.870 0.024) 14.562 13.416 ( -11.839 5.890 1.207) 13.278 13.724 ( -4.446 2.508 0.220) 5.109 16.025 ( 13.497 -0.443 -0.017) 13.504 18.240 ( -5.957 0.923 -0.024) 6.028 19.226 ( -8.722 1.571 -0.537) 8.879 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 9.997 -2.765 0.345) 10.378 2.832 ( 7.125 -3.496 -0.213) 7.939 2.884 ( 0.904 -2.026 -0.138) 2.223 2.924 ( -0.904 -1.336 0.053) 1.614 3.605 ( -1.554 -5.642 -0.546) 5.877 3.745 ( -3.141 -2.943 0.330) 4.318 4.419 ( 23.844 -4.740 -0.339) 24.313 4.992 ( -1.853 -6.478 0.601) 6.765 5.525 ( -2.207 -2.655 -0.478) 3.485 6.250 ( 20.384 1.329 0.336) 20.430 7.765 ( -2.653 -8.368 0.088) 8.779 8.342 ( -11.055 -6.446 -1.165) 12.850 11.623 ( 21.696 7.776 0.003) 23.048 13.255 ( -16.491 11.866 0.935) 20.338 13.645 ( -8.614 3.703 0.421) 9.386 16.294 ( 18.673 -3.669 -0.066) 19.030 18.141 ( -7.759 5.131 0.189) 9.304 19.033 ( -16.187 2.848 -0.543) 16.445 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 0.612 -3.400 -0.317) 3.469 2.898 ( 0.123 -1.433 0.373) 1.486 2.937 ( 9.849 -5.494 0.411) 11.285 2.953 ( 8.540 -4.793 -0.374) 9.800 3.519 ( -1.227 -6.135 -0.670) 6.292 3.664 ( -2.689 -2.824 0.368) 3.917 4.716 ( 13.458 -6.672 -0.399) 15.026 4.995 ( 11.206 -3.771 0.150) 11.824 5.426 ( -2.407 -10.081 -0.359) 10.371 6.586 ( 18.683 -3.466 0.558) 19.010 7.669 ( 0.999 -5.398 -0.136) 5.491 8.055 ( -13.301 -8.088 -1.005) 15.599 12.055 ( 18.640 6.041 0.227) 19.596 13.125 ( -14.985 16.896 -0.240) 22.585 13.518 ( -10.565 4.732 1.152) 11.633 16.521 ( 15.210 -10.592 -0.340) 18.538 18.132 ( -2.834 12.761 0.718) 13.092 18.752 ( -20.283 4.938 -0.649) 20.885 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.000 -2.802 0.365) 2.826 2.679 ( -0.000 -3.359 -0.342) 3.376 2.887 ( 0.000 -1.930 0.336) 1.959 2.944 ( -0.000 -2.182 -0.308) 2.203 3.633 ( 0.000 -6.227 -0.503) 6.247 3.821 ( 0.000 -4.383 0.287) 4.392 3.909 ( 0.000 -4.485 -0.079) 4.486 5.069 ( 0.000 -11.682 0.970) 11.722 5.670 ( -0.000 8.441 -0.756) 8.474 5.749 ( 0.000 -2.477 0.140) 2.481 7.818 ( 0.000 -10.104 0.201) 10.106 8.538 ( -0.000 -7.011 -1.359) 7.142 11.201 ( -0.000 9.889 0.051) 9.889 13.599 ( 0.000 9.540 1.889) 9.726 13.812 ( -0.000 6.979 -0.256) 6.984 15.904 ( -0.000 -0.029 -0.056) 0.063 18.299 ( -0.000 0.949 0.055) 0.950 19.320 ( -0.000 2.597 -0.589) 2.663 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 6.266 -4.390 0.246) 7.655 2.681 ( 4.805 -4.892 -0.197) 6.860 2.854 ( -0.144 -4.694 -0.364) 4.711 2.915 ( -0.422 -2.576 0.325) 2.630 3.556 ( -0.684 -7.695 -0.652) 7.753 3.744 ( -1.805 -6.042 0.366) 6.317 4.007 ( 16.216 -6.754 -0.242) 17.568 4.940 ( -1.605 -10.435 1.076) 10.612 5.588 ( -6.571 -0.662 -0.615) 6.633 5.953 ( 15.847 1.163 0.111) 15.890 7.694 ( -1.104 -12.288 -0.025) 12.338 8.399 ( -5.690 -10.543 -1.409) 12.063 11.429 ( 12.588 13.457 0.020) 18.427 13.627 ( -10.177 14.477 1.828) 17.790 13.834 ( -6.755 8.864 -0.235) 11.147 16.008 ( 11.528 -1.185 -0.104) 11.590 18.279 ( -3.596 2.892 0.350) 4.628 19.273 ( -8.617 3.149 -0.686) 9.200 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 9.241 -6.905 -0.163) 11.537 2.728 ( 6.691 -6.623 0.431) 9.424 2.806 ( 2.625 -6.857 -0.900) 7.397 2.888 ( -0.233 -1.925 0.644) 2.043 3.463 ( -0.808 -8.005 -0.751) 8.080 3.652 ( -1.385 -6.965 0.396) 7.112 4.282 ( 23.803 -9.073 -0.487) 25.478 4.839 ( 0.989 -8.580 1.046) 8.700 5.452 ( -6.575 -4.713 -0.708) 8.121 6.236 ( 18.003 -4.172 0.513) 18.487 7.575 ( 1.058 -9.598 -0.246) 9.660 8.147 ( -9.706 -12.899 -1.394) 16.203 11.836 ( 17.618 13.556 0.064) 22.230 13.572 ( -15.590 19.671 0.060) 25.100 13.767 ( -10.705 8.706 1.317) 13.861 16.200 ( 13.134 -5.437 -0.397) 14.221 18.279 ( -1.746 8.262 0.913) 8.494 19.097 ( -15.345 3.549 -0.842) 15.773 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.000 -6.956 -0.097) 6.956 2.587 ( 0.000 -5.672 0.060) 5.672 2.778 ( 0.000 -10.660 -0.935) 10.701 2.898 ( 0.000 -1.822 0.885) 2.025 3.481 ( 0.000 -8.333 -0.772) 8.369 3.688 ( 0.000 -9.395 0.382) 9.402 3.788 ( 0.000 -7.558 -0.215) 7.561 4.853 ( 0.000 -10.154 1.303) 10.237 5.677 ( 0.000 -4.974 0.311) 4.984 5.773 ( -0.000 0.631 -0.585) 0.861 7.575 ( 0.000 -13.218 -0.240) 13.220 8.323 ( -0.000 -14.270 -1.643) 14.365 11.475 ( -0.000 17.726 -0.020) 17.726 13.854 ( 0.000 14.711 3.125) 15.039 14.025 ( -0.000 15.325 -1.609) 15.409 15.903 ( -0.000 0.016 -0.053) 0.055 18.328 ( 0.000 1.845 0.659) 1.959 19.375 ( -0.000 2.832 -0.830) 2.952 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 6.745 -9.481 -0.345) 11.641 2.567 ( 4.131 -6.821 0.387) 7.984 2.661 ( 2.033 -14.611 -1.007) 14.786 2.879 ( -0.534 -1.580 0.815) 1.856 3.392 ( -0.512 -8.558 -0.821) 8.613 3.578 ( -0.444 -11.127 0.378) 11.142 3.846 ( 15.206 -9.311 -0.332) 17.833 4.760 ( -0.455 -7.939 1.326) 8.061 5.518 ( -7.462 -6.486 -0.218) 9.889 5.908 ( 14.125 -7.409 0.426) 15.956 7.458 ( 0.809 -10.301 -0.401) 10.340 8.123 ( -4.943 -16.579 -1.846) 17.398 11.754 ( 10.336 19.277 -0.056) 21.873 13.959 ( -6.226 17.269 3.270) 18.646 14.080 ( -11.823 17.270 -1.925) 21.017 15.981 ( 8.297 -1.411 -0.247) 8.419 18.351 ( 0.336 4.010 1.158) 4.187 19.324 ( -8.299 1.869 -0.969) 8.562 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 -12.879 -0.592) 12.892 2.461 ( 0.000 -20.965 -0.837) 20.981 2.469 ( 0.000 -6.523 0.446) 6.539 2.872 ( 0.000 -1.439 0.647) 1.577 3.307 ( 0.000 -9.671 -0.832) 9.707 3.455 ( 0.000 -14.692 0.313) 14.695 3.625 ( 0.000 -8.754 -0.235) 8.757 4.700 ( 0.000 -5.773 1.316) 5.921 5.560 ( 0.000 -7.074 0.429) 7.087 5.630 ( 0.000 -16.076 0.516) 16.084 7.354 ( 0.000 -9.191 -0.408) 9.200 7.991 ( -0.000 -17.365 -2.307) 17.518 11.871 ( -0.000 22.271 -0.142) 22.272 14.179 ( 0.000 17.050 4.330) 17.591 14.388 ( -0.000 22.085 -3.446) 22.352 15.905 ( -0.000 0.163 -0.045) 0.169 18.371 ( 0.000 2.003 1.482) 2.492 19.401 ( -0.000 -0.481 -0.967) 1.080 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.152 ( 0.000 -0.000 7.604) 7.604 0.152 ( 0.000 -0.000 7.604) 7.604 0.219 ( 0.000 -0.000 20.374) 20.374 1.904 ( -0.000 0.000 -0.813) 0.813 1.904 ( -0.000 0.000 -0.813) 0.813 3.109 ( 0.000 -0.000 0.162) 0.162 3.109 ( 0.000 -0.000 0.162) 0.162 3.191 ( -0.000 0.000 -1.680) 1.680 4.950 ( -0.000 0.000 -0.049) 0.049 4.950 ( -0.000 0.000 -0.049) 0.049 5.242 ( -0.000 0.000 -0.976) 0.976 8.351 ( 0.000 -0.000 6.381) 6.381 13.421 ( 0.000 -0.000 0.189) 0.189 13.421 ( 0.000 -0.000 0.189) 0.189 15.935 ( -0.000 0.000 -0.118) 0.118 15.935 ( -0.000 0.000 -0.118) 0.118 16.748 ( 0.000 -0.000 9.736) 9.736 19.372 ( -0.000 0.000 -10.627) 10.627 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 13.975 8.069 12.308) 20.295 0.580 ( 23.843 13.766 2.051) 27.608 0.982 ( 40.295 23.264 1.270) 46.546 1.942 ( 3.335 1.926 -0.801) 3.934 2.067 ( 12.946 7.474 0.167) 14.950 3.049 ( -5.259 -3.036 -1.820) 6.339 3.132 ( 2.054 1.186 0.195) 2.380 3.480 ( 19.083 11.017 -6.191) 22.888 4.845 ( -5.618 -3.244 -0.200) 6.491 4.991 ( 3.401 1.964 -0.049) 3.928 5.430 ( 17.593 10.158 4.210) 20.747 8.264 ( -6.459 -3.729 4.911) 8.930 13.339 ( -7.166 -4.137 0.150) 8.276 15.206 ( 47.080 27.182 -61.739) 82.263 15.806 ( -11.090 -6.403 -1.077) 12.851 15.932 ( -0.221 -0.127 -0.117) 0.280 17.184 ( 40.674 23.483 -4.648) 47.196 18.952 ( -17.995 -10.389 7.531) 22.101 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 24.007 13.860 5.426) 28.247 1.115 ( 22.840 13.186 1.371) 26.409 1.832 ( 34.153 19.718 -0.353) 39.438 2.043 ( 5.601 3.234 -0.798) 6.517 2.419 ( 16.923 9.771 1.656) 19.611 2.952 ( -2.682 -1.548 -1.642) 3.505 3.202 ( 4.079 2.355 0.327) 4.721 3.951 ( 23.933 13.818 -4.168) 27.948 4.738 ( -3.794 -2.190 -0.557) 4.416 5.097 ( 5.881 3.395 -0.196) 6.793 5.954 ( 26.575 15.343 3.159) 30.848 8.097 ( -8.802 -5.082 4.739) 11.214 13.105 ( -13.384 -7.727 0.110) 15.455 15.377 ( -8.957 -5.172 -12.932) 16.559 15.479 ( -15.805 -9.125 -4.924) 18.903 15.925 ( -0.371 -0.214 -0.101) 0.440 18.064 ( 28.905 16.688 -5.618) 33.846 18.807 ( 4.180 2.413 -0.876) 4.905 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 25.723 14.851 3.264) 29.882 1.603 ( 20.020 11.559 1.219) 23.150 2.181 ( 6.544 3.778 -0.804) 7.598 2.488 ( 23.237 13.416 -2.131) 26.916 2.797 ( 15.712 9.072 2.422) 18.304 2.934 ( 2.043 1.180 -1.073) 2.592 3.316 ( 5.911 3.413 0.517) 6.845 4.508 ( 20.729 11.968 -1.988) 24.018 4.703 ( 5.585 3.225 -0.894) 6.511 5.245 ( 7.124 4.113 -0.411) 8.237 6.578 ( 27.159 15.680 1.962) 31.421 7.907 ( -8.265 -4.772 5.071) 10.807 12.748 ( -17.922 -10.347 0.072) 20.695 15.013 ( -18.756 -10.829 -4.069) 22.037 15.123 ( -15.950 -9.209 -1.804) 18.506 15.916 ( -0.398 -0.229 -0.074) 0.465 18.391 ( 4.808 2.776 -0.136) 5.554 19.063 ( 14.200 8.199 -3.296) 16.725 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 23.337 13.474 2.419) 27.056 2.013 ( 16.014 9.246 1.104) 18.524 2.327 ( 6.347 3.665 -0.816) 7.375 2.787 ( 4.805 2.774 -3.481) 6.550 3.112 ( 11.630 6.714 2.068) 13.587 3.133 ( 14.801 8.545 0.323) 17.094 3.467 ( 7.301 4.215 0.670) 8.457 4.621 ( 1.626 0.939 -1.106) 2.179 5.206 ( 25.895 14.950 -0.414) 29.903 5.407 ( 7.071 4.083 -0.575) 8.185 7.124 ( 19.062 11.006 1.246) 22.047 7.797 ( -0.339 -0.195 4.337) 4.355 12.315 ( -20.060 -11.581 0.037) 23.163 14.577 ( -18.751 -10.826 -4.959) 22.212 14.746 ( -17.234 -9.950 2.345) 20.037 15.908 ( -0.299 -0.172 -0.040) 0.347 18.427 ( -0.308 -0.178 -0.810) 0.885 19.299 ( 6.591 3.805 -0.793) 7.652 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 11.420 6.593 0.974) 13.223 2.458 ( 5.380 3.106 -0.828) 6.267 2.466 ( 17.701 10.219 2.027) 20.539 2.842 ( 1.889 1.090 -2.756) 3.514 3.336 ( 8.029 4.635 1.959) 9.476 3.453 ( 12.594 7.271 -0.469) 14.550 3.640 ( 7.699 4.445 0.663) 8.914 4.699 ( 5.708 3.296 -1.119) 6.686 5.554 ( 5.984 3.455 -0.583) 6.934 5.680 ( 14.351 8.286 0.682) 16.585 7.397 ( 7.561 4.365 1.502) 8.859 7.978 ( 13.829 7.984 2.110) 16.107 11.866 ( -19.244 -11.111 0.003) 22.221 14.163 ( -16.839 -9.722 -4.323) 19.919 14.373 ( -15.852 -9.152 2.548) 18.481 15.903 ( -0.137 -0.079 -0.004) 0.158 18.398 ( -1.881 -1.086 -0.763) 2.302 19.370 ( 0.384 0.222 0.150) 0.468 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 6.516 3.762 0.624) 7.550 2.565 ( 4.431 2.558 -0.589) 5.150 2.778 ( 9.459 5.461 1.801) 11.070 2.876 ( 1.613 0.931 -2.079) 2.792 3.502 ( 6.771 3.909 1.088) 7.894 3.687 ( 8.203 4.736 -0.428) 9.482 3.804 ( 6.476 3.739 0.434) 7.490 4.868 ( 9.115 5.263 -1.017) 10.574 5.670 ( 4.270 2.465 -0.410) 4.947 5.823 ( -1.103 -0.637 1.167) 1.728 7.603 ( 10.882 6.283 0.569) 12.579 8.292 ( 12.158 7.020 1.326) 14.102 11.472 ( -15.256 -8.808 -0.030) 17.617 13.815 ( -13.028 -7.522 -2.916) 15.323 14.058 ( -12.083 -6.976 1.290) 14.011 15.901 ( -0.004 -0.002 0.029) 0.029 18.350 ( -2.090 -1.207 -0.372) 2.442 19.344 ( -2.176 -1.256 0.440) 2.551 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 2.062 1.190 -0.652) 2.468 2.662 ( 3.294 1.902 0.630) 3.856 2.904 ( 1.112 0.642 -1.490) 1.967 2.914 ( 2.972 1.716 1.477) 3.736 3.640 ( 4.870 2.812 0.476) 5.643 3.822 ( 3.878 2.239 -0.278) 4.486 3.921 ( 3.590 2.072 0.080) 4.146 5.087 ( 9.872 5.700 -0.942) 11.439 5.700 ( -8.347 -4.819 0.740) 9.667 5.743 ( 2.276 1.314 -0.141) 2.632 7.838 ( 8.436 4.871 -0.268) 9.745 8.503 ( 6.227 3.595 1.433) 7.331 11.200 ( -8.456 -4.882 -0.051) 9.765 13.582 ( -6.939 -4.006 -1.743) 8.200 13.845 ( -6.727 -3.884 0.096) 7.769 15.902 ( 0.041 0.024 0.056) 0.073 18.309 ( -1.370 -0.791 -0.059) 1.583 19.296 ( -1.779 -1.027 0.598) 2.139 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -0.152 -0.088 -0.774) 0.794 2.702 ( 0.156 0.090 0.735) 0.757 2.913 ( -0.160 -0.093 -0.852) 0.872 2.950 ( 0.423 0.244 0.981) 1.096 3.697 ( -0.272 -0.157 0.222) 0.385 3.865 ( 0.071 0.041 -0.183) 0.200 3.959 ( -0.253 -0.146 -0.193) 0.350 5.238 ( 0.131 0.076 -0.974) 0.986 5.551 ( -0.981 -0.567 0.121) 1.140 5.771 ( 0.158 0.091 0.051) 0.189 7.935 ( -0.284 -0.164 -0.686) 0.761 8.579 ( 0.227 0.131 1.710) 1.730 11.103 ( 0.043 0.025 -0.046) 0.067 13.509 ( 0.874 0.504 -1.031) 1.442 13.761 ( -0.648 -0.374 -0.609) 0.965 15.903 ( 0.012 0.007 0.073) 0.074 18.291 ( -0.180 -0.104 -0.011) 0.208 19.279 ( 0.247 0.142 0.775) 0.826 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -2.574 -1.486 -0.691) 3.051 2.673 ( -2.780 -1.605 0.668) 3.279 2.890 ( -2.133 -1.231 -0.136) 2.467 2.940 ( -1.457 -0.841 0.441) 1.739 3.628 ( -5.478 -3.163 0.150) 6.327 3.824 ( -3.749 -2.164 -0.198) 4.333 3.910 ( -3.980 -2.298 -0.227) 4.602 5.082 ( -10.017 -5.783 -1.113) 11.620 5.666 ( 7.200 4.157 -0.158) 8.315 5.750 ( -2.054 -1.186 0.036) 2.372 7.823 ( -8.961 -5.174 -0.626) 10.367 8.518 ( -6.022 -3.477 1.775) 7.177 11.201 ( 8.540 4.931 -0.003) 9.862 13.616 ( 8.628 4.981 -0.815) 9.996 13.815 ( 5.593 3.229 -0.683) 6.494 15.903 ( -0.020 -0.012 0.078) 0.081 18.301 ( 1.018 0.587 -0.288) 1.210 19.310 ( 2.209 1.275 0.971) 2.729 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -6.235 -3.600 -0.124) 7.201 2.586 ( -4.722 -2.726 0.157) 5.455 2.773 ( -9.338 -5.391 0.828) 10.814 2.902 ( -1.459 -0.843 -0.464) 1.748 3.478 ( -7.313 -4.222 0.346) 8.451 3.690 ( -8.118 -4.687 -0.283) 9.379 3.788 ( -6.600 -3.811 -0.033) 7.621 4.860 ( -8.760 -5.058 -1.299) 10.199 5.678 ( -4.250 -2.454 -0.170) 4.910 5.772 ( 0.628 0.362 -0.161) 0.742 7.574 ( -11.606 -6.701 -0.178) 13.403 8.312 ( -12.415 -7.168 1.796) 14.447 11.475 ( 15.329 8.850 0.067) 17.701 13.870 ( 13.269 7.661 -2.245) 15.485 14.017 ( 12.647 7.302 1.038) 14.641 15.903 ( 0.018 0.010 0.068) 0.071 18.332 ( 1.776 1.026 -0.846) 2.219 19.369 ( 2.431 1.403 1.107) 3.017 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 0.000 15.293 13.888) 20.658 0.609 ( -0.000 27.384 2.362) 27.486 0.968 ( -0.000 46.730 0.954) 46.740 1.936 ( -0.000 3.664 -0.891) 3.771 2.072 ( -0.000 15.296 0.180) 15.297 3.043 ( -0.000 -6.007 -2.238) 6.410 3.134 ( -0.000 2.466 0.226) 2.476 3.459 ( -0.000 21.241 -5.847) 22.031 4.835 ( 0.000 -6.817 -0.000) 6.817 4.984 ( -0.000 3.633 -0.133) 3.636 5.467 ( 0.000 21.646 3.827) 21.981 8.275 ( 0.000 -7.516 5.203) 9.141 13.342 ( 0.000 -8.114 0.201) 8.117 15.072 ( -0.000 53.328 -53.100) 75.256 15.869 ( -0.000 -3.085 -5.278) 6.114 15.932 ( -0.000 -0.244 -0.119) 0.272 17.184 ( -0.000 47.161 -3.594) 47.297 18.910 ( 0.000 -26.667 6.548) 27.459 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 11.729 21.900 8.112) 26.134 1.018 ( 13.288 25.210 1.526) 28.538 1.603 ( 21.022 35.493 -0.054) 41.251 2.009 ( 3.375 5.248 -0.860) 6.298 2.321 ( 9.270 16.573 1.401) 19.041 2.963 ( -2.041 -3.754 -2.206) 4.808 3.191 ( 2.526 4.665 0.315) 5.314 3.782 ( 13.199 21.165 -4.770) 25.395 4.751 ( -2.267 -4.900 -0.341) 5.410 5.075 ( 4.156 6.190 -0.338) 7.464 5.813 ( 12.526 24.987 3.699) 28.194 8.160 ( -4.925 -8.188 4.794) 10.690 13.198 ( -6.274 -10.371 0.166) 12.122 15.290 ( 3.888 -5.926 -17.873) 19.227 15.619 ( -16.019 -10.326 -4.452) 19.572 15.971 ( -0.204 1.391 -1.460) 2.027 17.912 ( 21.818 46.052 -10.115) 51.953 18.711 ( 1.445 -11.877 2.872) 12.305 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 19.320 21.818 4.712) 29.521 1.492 ( 14.116 22.248 1.180) 26.374 2.137 ( 4.852 6.593 -0.814) 8.226 2.263 ( 21.605 22.867 -1.534) 31.496 2.666 ( 12.561 13.798 2.372) 18.809 2.916 ( 0.117 -0.723 -1.922) 2.057 3.308 ( 3.566 8.399 0.472) 9.137 4.272 ( 20.947 19.795 -2.691) 28.946 4.676 ( -1.096 -3.260 -0.708) 3.511 5.226 ( 4.669 9.375 -0.497) 10.485 6.348 ( 20.877 22.600 2.537) 30.871 7.987 ( -6.927 -7.829 5.034) 11.603 12.933 ( -13.251 -9.866 0.134) 16.521 15.126 ( -4.278 -19.071 -3.399) 19.838 15.188 ( -18.024 -14.441 -4.853) 23.600 15.958 ( -2.105 1.780 0.355) 2.779 18.447 ( 0.500 18.709 -0.400) 18.720 18.823 ( 18.774 2.758 -4.545) 19.512 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 20.706 19.086 3.192) 28.341 1.917 ( 12.115 18.457 1.061) 22.104 2.288 ( 4.849 7.354 -0.811) 8.846 2.700 ( 9.910 7.685 -3.556) 13.035 2.997 ( 11.598 9.522 0.968) 15.037 3.000 ( 9.401 7.451 1.245) 12.060 3.473 ( 3.504 12.599 0.628) 13.092 4.602 ( 1.042 0.314 -0.816) 1.360 4.883 ( 24.478 12.873 -1.046) 27.677 5.414 ( 4.890 13.226 -0.750) 14.121 6.916 ( 20.942 17.539 1.338) 27.349 7.821 ( -4.609 -5.825 4.867) 8.881 12.569 ( -19.095 -7.808 0.084) 20.630 14.724 ( -16.021 -17.755 -4.943) 24.420 14.817 ( -9.602 -19.517 1.378) 21.795 15.948 ( -1.779 2.973 0.523) 3.504 18.496 ( -4.645 6.355 -1.096) 7.947 19.145 ( 13.484 1.367 -1.370) 13.622 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 10.442 13.496 0.882) 17.086 2.287 ( 16.560 15.452 2.479) 22.785 2.435 ( 3.964 7.671 -0.745) 8.667 2.806 ( 2.677 1.029 -3.235) 4.324 3.244 ( 8.890 5.536 2.248) 10.711 3.308 ( 13.096 8.912 -0.451) 15.847 3.667 ( 2.498 16.064 0.690) 16.272 4.640 ( 3.773 1.676 -1.079) 4.267 5.337 ( 17.346 2.094 0.158) 17.473 5.674 ( 7.416 19.240 -0.796) 20.635 7.322 ( 9.361 8.719 1.086) 12.839 7.821 ( 9.379 1.017 3.350) 10.011 12.154 ( -22.201 -4.725 0.028) 22.698 14.285 ( -14.413 -17.274 -4.167) 22.879 14.457 ( -10.360 -18.951 2.105) 21.700 15.957 ( -1.993 5.136 0.384) 5.523 18.450 ( -4.878 1.787 -1.362) 5.371 19.288 ( 6.294 -4.674 0.211) 7.843 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 5.629 10.417 0.750) 11.864 2.554 ( 2.610 7.068 -0.762) 7.573 2.669 ( 11.607 9.128 2.185) 14.927 2.847 ( 2.124 0.736 -2.445) 3.321 3.421 ( 7.160 3.426 1.433) 8.066 3.573 ( 9.985 5.136 -0.540) 11.242 3.862 ( 0.550 17.690 0.549) 17.707 4.764 ( 7.730 3.859 -1.127) 8.713 5.539 ( 8.633 -2.326 0.364) 8.948 5.931 ( 0.272 14.715 -0.126) 14.719 7.498 ( 7.615 5.401 0.867) 9.376 8.104 ( 16.171 3.711 1.724) 16.681 11.749 ( -21.796 -0.684 -0.010) 21.807 13.891 ( -11.342 -16.750 -2.654) 20.403 14.127 ( -8.651 -15.413 0.995) 17.702 15.980 ( -3.060 7.962 0.231) 8.533 18.372 ( -3.629 -2.069 -0.900) 4.273 19.295 ( 2.554 -7.931 0.612) 8.354 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 0.275 7.004 -0.621) 7.037 2.661 ( 2.285 7.111 0.580) 7.491 2.869 ( 4.989 2.880 1.648) 5.992 2.884 ( 1.795 0.845 -1.594) 2.545 3.571 ( 6.504 2.768 0.653) 7.098 3.742 ( 6.314 1.505 -0.387) 6.503 4.021 ( -2.416 17.173 0.243) 17.344 4.955 ( 9.910 3.802 -1.029) 10.664 5.610 ( 3.733 -4.878 0.541) 6.166 5.966 ( -9.447 12.018 -0.077) 15.286 7.717 ( 10.705 4.906 -0.034) 11.776 8.371 ( 11.914 0.415 1.495) 12.015 11.426 ( -17.829 4.187 -0.021) 18.314 13.581 ( -5.671 -15.458 -1.598) 16.543 13.881 ( -5.408 -10.403 -0.023) 11.725 16.006 ( -4.710 10.592 0.103) 11.592 18.294 ( -1.126 -4.882 -0.355) 5.023 19.248 ( 1.925 -8.753 0.698) 8.990 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -2.007 5.750 -0.740) 6.135 2.736 ( -0.802 5.247 0.712) 5.356 2.908 ( 0.658 0.274 -1.000) 1.228 2.935 ( 1.589 0.048 1.102) 1.935 3.675 ( 3.069 0.543 0.321) 3.133 3.819 ( 2.928 -1.342 -0.259) 3.231 4.107 ( -6.315 15.219 -0.031) 16.477 5.133 ( 8.120 -1.101 -0.860) 8.239 5.575 ( -2.003 -3.351 0.248) 3.912 5.921 ( -8.888 12.821 -0.130) 15.601 7.892 ( 5.317 0.734 -0.574) 5.398 8.512 ( 6.123 -3.303 1.676) 7.156 11.246 ( -10.954 9.446 -0.012) 14.464 13.412 ( 2.459 -12.300 -1.141) 12.595 13.746 ( -1.092 -5.793 -0.518) 5.917 16.024 ( -6.332 11.987 0.028) 13.557 18.245 ( 1.735 -5.873 -0.042) 6.124 19.210 ( 3.462 -8.022 0.756) 8.770 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -4.292 4.576 -0.687) 6.312 2.741 ( -3.814 3.459 0.667) 5.192 2.902 ( -0.839 -0.798 -0.412) 1.229 2.946 ( -0.047 -0.887 0.565) 1.053 3.670 ( -2.586 -2.644 0.256) 3.708 3.820 ( -0.179 -3.118 -0.237) 3.132 4.101 ( -10.504 12.816 -0.107) 16.571 5.131 ( -3.188 -7.734 -0.901) 8.414 5.558 ( 2.650 -0.433 0.032) 2.685 5.922 ( -6.686 14.081 -0.105) 15.589 7.884 ( -3.878 -4.572 -0.647) 6.030 8.521 ( 0.203 -6.745 1.745) 6.970 11.247 ( -2.615 14.281 0.003) 14.518 13.429 ( 11.249 -7.389 -0.883) 13.487 13.730 ( 4.216 -2.607 -0.742) 5.012 16.025 ( -7.177 11.498 0.035) 13.554 18.241 ( 3.848 -4.630 -0.098) 6.022 19.217 ( 5.721 -6.737 0.851) 8.880 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -7.075 3.164 -0.410) 7.761 2.679 ( -6.509 1.808 0.378) 6.766 2.851 ( -4.341 -2.674 0.431) 5.117 2.916 ( -1.680 -1.466 -0.186) 2.238 3.553 ( -6.392 -4.493 0.389) 7.823 3.746 ( -4.311 -4.563 -0.303) 6.285 4.006 ( -13.987 10.582 0.050) 17.539 4.947 ( -8.146 -6.613 -1.185) 10.559 5.586 ( 2.756 -6.082 0.281) 6.683 5.955 ( -6.969 14.407 -0.244) 16.005 7.695 ( -10.225 -7.196 -0.280) 12.507 8.390 ( -6.310 -10.166 1.663) 12.080 11.429 ( 5.355 17.623 0.023) 18.419 13.635 ( 18.037 -1.822 -0.975) 18.155 13.835 ( 10.620 -1.221 -0.510) 10.703 16.008 ( -6.805 9.346 0.119) 11.562 18.281 ( 4.436 -1.552 -0.518) 4.728 19.268 ( 7.005 -5.898 0.956) 9.207 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 26.744 7.067) 27.662 1.144 ( -0.000 26.148 1.381) 26.185 1.823 ( -0.000 39.685 -0.494) 39.688 2.033 ( -0.000 6.356 -0.825) 6.409 2.431 ( -0.000 19.721 1.746) 19.798 2.941 ( -0.000 -3.092 -2.537) 3.999 3.206 ( -0.000 4.765 0.328) 4.776 3.914 ( -0.000 27.847 -3.948) 28.125 4.724 ( 0.000 -4.806 -0.287) 4.814 5.085 ( -0.000 6.598 -0.198) 6.601 6.001 ( 0.000 29.941 3.085) 30.099 8.122 ( 0.000 -9.702 4.787) 10.818 13.112 ( 0.000 -15.358 0.110) 15.358 15.160 ( -0.000 -11.464 -8.668) 14.372 15.702 ( -0.000 -13.195 -8.063) 15.464 15.925 ( -0.000 -0.403 -0.101) 0.416 18.161 ( -0.000 42.206 -11.273) 43.685 18.613 ( 0.000 -3.398 4.582) 5.705 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.319 27.622 5.050) 29.286 1.505 ( 11.184 23.557 1.031) 26.098 2.131 ( 3.663 7.332 -0.756) 8.231 2.259 ( 9.041 30.221 -1.575) 31.584 2.674 ( 5.467 17.873 2.337) 18.836 2.909 ( -0.441 -0.385 -2.264) 2.338 3.312 ( 5.365 7.385 0.427) 9.139 4.257 ( 7.669 28.517 -2.385) 29.627 4.663 ( -1.500 -3.775 -0.475) 4.089 5.218 ( 6.310 8.448 -0.375) 10.550 6.367 ( 7.795 29.215 2.316) 30.326 8.003 ( -3.754 -9.383 4.798) 11.187 12.937 ( -2.238 -16.269 0.080) 16.422 14.984 ( -2.706 -18.507 -2.511) 18.872 15.342 ( -17.857 -16.398 -5.653) 24.895 15.965 ( 2.401 -0.847 0.260) 2.560 18.526 ( 13.935 -0.764 -3.176) 14.313 18.702 ( -1.864 28.008 -1.382) 28.104 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 13.777 24.571 3.585) 28.398 1.922 ( 11.417 20.510 0.856) 23.489 2.284 ( 5.046 8.414 -0.732) 9.839 2.636 ( 7.846 13.762 -3.387) 16.199 2.944 ( 7.194 12.484 1.483) 14.484 2.956 ( 4.811 7.989 0.301) 9.331 3.524 ( 7.408 13.121 0.583) 15.079 4.599 ( -0.376 1.228 -0.309) 1.321 4.703 ( 13.197 19.006 -1.218) 23.170 5.441 ( 7.789 12.753 -0.673) 14.959 6.819 ( 13.597 23.976 1.356) 27.597 7.848 ( -5.148 -7.840 4.585) 10.440 12.715 ( -7.483 -12.640 0.060) 14.689 14.694 ( -7.514 -22.475 -0.467) 23.703 14.855 ( -16.870 -18.549 -3.810) 25.361 15.989 ( 0.531 1.532 0.971) 1.890 18.615 ( 0.926 -0.047 -1.440) 1.712 18.973 ( 6.703 11.420 -1.157) 13.292 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 14.225 18.619 2.345) 23.548 2.282 ( 8.970 17.892 1.098) 20.045 2.452 ( 4.432 9.415 -0.706) 10.430 2.769 ( 2.548 2.330 -3.475) 4.899 3.171 ( 7.241 7.765 2.247) 10.852 3.205 ( 10.046 11.343 -0.325) 15.155 3.801 ( 5.399 20.085 0.701) 20.809 4.604 ( 1.743 1.039 -0.817) 2.188 5.102 ( 14.667 9.152 0.196) 17.289 5.732 ( 8.581 18.868 -0.929) 20.749 7.258 ( 12.546 16.816 0.486) 20.986 7.728 ( -0.453 -5.159 3.932) 6.502 12.437 ( -14.334 -6.081 -0.019) 15.571 14.304 ( -11.703 -22.067 -1.508) 25.024 14.422 ( -10.865 -21.250 -0.959) 23.886 16.029 ( 0.333 5.016 0.987) 5.123 18.576 ( -5.837 1.635 -1.980) 6.377 19.115 ( 6.228 -3.938 0.489) 7.385 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 8.017 12.085 0.755) 14.522 2.590 ( 5.999 13.531 0.766) 14.821 2.614 ( 5.460 10.815 0.688) 12.135 2.815 ( 2.066 1.271 -2.593) 3.551 3.341 ( 6.381 3.771 1.660) 7.595 3.463 ( 9.322 6.932 -0.597) 11.633 4.079 ( 0.742 24.689 0.684) 24.710 4.687 ( 5.429 3.961 -1.000) 6.794 5.355 ( 10.737 -0.469 0.664) 10.768 6.056 ( 5.440 19.702 -0.792) 20.454 7.482 ( 1.408 7.682 0.650) 7.837 7.849 ( 15.712 0.280 2.215) 15.870 12.125 ( -19.338 1.304 -0.097) 19.382 13.889 ( -11.711 -21.299 -0.699) 24.316 14.070 ( -6.167 -20.268 -0.961) 21.208 16.103 ( -0.161 9.380 0.737) 9.411 18.453 ( -7.996 -1.377 -1.628) 8.276 19.128 ( 4.768 -11.639 0.897) 12.610 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 3.078 9.747 0.441) 10.231 2.725 ( 0.179 10.650 -0.586) 10.667 2.823 ( 4.893 5.533 1.883) 7.623 2.859 ( 2.052 1.610 -1.737) 3.134 3.485 ( 6.740 2.701 0.840) 7.309 3.645 ( 6.967 2.336 -0.475) 7.364 4.296 ( -4.046 24.881 0.487) 25.213 4.846 ( 7.385 5.325 -0.986) 9.158 5.483 ( 7.066 -3.354 0.655) 7.849 6.240 ( -5.072 16.979 -0.531) 17.728 7.607 ( 6.880 5.285 0.189) 8.678 8.127 ( 15.699 -1.992 1.499) 15.895 11.830 ( -20.405 8.418 -0.073) 22.074 13.507 ( -8.131 -21.111 -0.331) 22.625 13.821 ( -2.571 -15.339 -1.074) 15.590 16.202 ( -2.224 14.254 0.397) 14.432 18.291 ( -6.012 -6.016 -0.931) 8.556 19.074 ( 4.533 -14.723 0.868) 15.429 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -2.227 9.332 -0.571) 9.612 2.823 ( -0.726 8.392 0.572) 8.442 2.892 ( 1.582 0.611 -0.386) 1.739 2.913 ( 1.311 1.711 0.480) 2.209 3.611 ( 5.251 1.049 0.440) 5.373 3.745 ( 4.311 -1.174 -0.328) 4.480 4.427 ( -8.036 22.689 0.233) 24.072 5.002 ( 6.396 1.425 -0.736) 6.594 5.546 ( 2.928 -0.939 0.202) 3.081 6.250 ( -11.397 16.733 -0.344) 20.249 7.782 ( 8.089 1.555 -0.368) 8.245 8.320 ( 11.194 -6.098 1.526) 12.838 11.619 ( -17.445 14.884 0.038) 22.932 13.229 ( -0.604 -18.993 -0.632) 19.013 13.675 ( 0.191 -10.302 -0.805) 10.335 16.294 ( -6.192 18.114 0.068) 19.144 18.150 ( -0.870 -9.563 -0.306) 9.608 19.015 ( 5.969 -15.099 0.781) 16.255 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -4.846 8.439 -0.490) 9.743 2.860 ( -3.450 6.358 0.545) 7.254 2.905 ( -0.156 -0.326 0.165) 0.397 2.935 ( 0.066 0.430 -0.148) 0.460 3.663 ( 0.823 -1.915 0.347) 2.113 3.774 ( 1.942 -3.191 -0.258) 3.745 4.467 ( -12.043 20.268 0.119) 23.576 5.064 ( 2.429 -4.457 -0.495) 5.100 5.561 ( -1.508 1.167 -0.239) 1.922 6.229 ( -10.350 18.269 -0.207) 20.998 7.860 ( 1.693 -3.640 -0.551) 4.052 8.391 ( 5.862 -9.646 1.584) 11.398 11.544 ( -11.466 20.001 0.104) 23.054 13.135 ( 9.275 -14.410 -0.817) 17.157 13.620 ( 3.295 -6.946 -0.669) 7.717 16.332 ( -10.594 18.380 -0.079) 21.215 18.091 ( 5.062 -9.138 -0.050) 10.447 18.995 ( 8.432 -14.036 0.745) 16.391 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -7.370 7.188 -0.423) 10.304 2.830 ( -6.614 4.609 0.376) 8.070 2.883 ( -2.114 -0.493 0.172) 2.177 2.924 ( -0.794 -1.271 -0.072) 1.501 3.602 ( -4.159 -4.216 0.447) 5.939 3.747 ( -0.954 -4.176 -0.302) 4.294 4.417 ( -16.043 18.175 0.233) 24.244 4.996 ( -4.517 -4.901 -0.745) 6.707 5.523 ( -1.418 -3.245 0.196) 3.547 6.252 ( -9.025 18.387 -0.334) 20.485 7.766 ( -6.010 -6.577 -0.317) 8.915 8.334 ( -0.060 -12.717 1.457) 12.801 11.623 ( -4.082 22.690 0.042) 23.054 13.259 ( 18.535 -8.563 -0.571) 20.426 13.649 ( 7.540 -5.486 -0.849) 9.363 16.294 ( -12.579 14.285 0.070) 19.034 18.143 ( 8.422 -4.046 -0.304) 9.348 19.029 ( 10.536 -12.585 0.773) 16.431 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 29.093 4.112) 29.382 1.629 ( -0.000 22.849 0.913) 22.867 2.168 ( -0.000 7.533 -0.672) 7.563 2.477 ( -0.000 26.534 -2.365) 26.640 2.816 ( 0.000 18.100 2.327) 18.249 2.917 ( -0.000 2.668 -1.795) 3.216 3.321 ( -0.000 6.802 0.447) 6.817 4.508 ( -0.000 32.865 -1.518) 32.900 4.645 ( 0.000 -2.518 -0.210) 2.527 5.231 ( -0.000 8.198 -0.228) 8.201 6.608 ( -0.000 30.051 1.689) 30.098 7.953 ( 0.000 -8.791 4.403) 9.832 12.756 ( 0.000 -20.685 -0.031) 20.685 14.829 ( 0.000 -18.768 -0.870) 18.788 15.329 ( -0.000 -21.091 -4.965) 21.668 15.916 ( -0.000 -0.424 -0.079) 0.431 18.395 ( -0.000 -0.476 -1.288) 1.373 18.985 ( -0.000 24.419 -1.419) 24.460 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 5.614 27.349 3.196) 28.101 1.932 ( 9.402 19.607 0.675) 21.755 2.279 ( 4.221 7.889 -0.606) 8.968 2.688 ( 1.505 11.928 -3.767) 12.599 2.988 ( 2.117 12.341 -0.310) 12.525 3.011 ( 2.319 14.699 2.291) 15.056 3.478 ( 9.235 9.319 0.492) 13.129 4.608 ( -0.845 -1.306 -0.527) 1.642 4.838 ( 0.792 29.745 -0.095) 29.755 5.400 ( 9.126 10.604 -0.380) 13.996 6.925 ( 4.303 25.912 1.193) 26.294 7.858 ( -3.257 -5.994 3.740) 7.780 12.575 ( 2.589 -20.417 -0.068) 20.580 14.599 ( -4.980 -19.854 -0.073) 20.469 14.950 ( -15.957 -21.240 -3.636) 26.814 15.956 ( 3.834 -0.055 0.332) 3.849 18.463 ( 8.046 -2.837 -0.576) 8.551 19.141 ( -4.501 15.263 -0.974) 15.943 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 8.457 21.755 2.121) 23.437 2.286 ( 10.702 16.620 0.920) 19.789 2.450 ( 6.096 8.730 -0.613) 10.665 2.760 ( 0.860 3.247 -3.387) 4.770 3.176 ( 3.186 10.484 2.111) 11.159 3.203 ( 4.801 13.996 -0.273) 14.799 3.805 ( 14.592 14.798 0.546) 20.789 4.599 ( 0.198 1.512 -0.513) 1.609 5.091 ( 1.704 17.271 0.617) 17.366 5.724 ( 12.582 16.507 -0.572) 20.763 7.252 ( 8.379 18.263 0.828) 20.111 7.752 ( -5.319 -1.652 2.773) 6.222 12.439 ( 1.699 -15.410 -0.108) 15.504 14.279 ( -9.587 -19.571 -0.274) 21.795 14.444 ( -16.942 -21.819 -2.032) 27.698 16.035 ( 3.877 2.981 0.710) 4.942 18.549 ( 5.793 -5.146 -0.823) 7.792 19.132 ( -7.233 4.415 -0.262) 8.477 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 7.885 14.144 0.997) 16.224 2.607 ( 8.586 13.742 1.584) 16.281 2.640 ( 5.284 10.407 -0.701) 11.692 2.797 ( 1.351 2.052 -2.442) 3.464 3.305 ( 3.129 5.532 1.631) 6.562 3.412 ( 5.622 9.569 -0.540) 11.112 4.221 ( 12.020 21.113 0.585) 24.302 4.656 ( 3.365 5.091 -0.563) 6.129 5.239 ( 3.172 4.927 0.838) 5.920 6.106 ( 11.136 18.703 -0.607) 21.776 7.556 ( 9.193 11.557 0.252) 14.769 7.673 ( -2.741 0.498 2.081) 3.477 12.317 ( -3.796 -6.486 -0.219) 7.519 13.907 ( -13.553 -17.767 1.215) 22.379 13.979 ( -9.808 -23.040 -2.589) 25.174 16.155 ( 4.101 7.549 0.752) 8.624 18.532 ( -1.851 -5.486 -1.300) 5.934 19.008 ( -5.103 -6.775 0.525) 8.498 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 5.497 9.222 0.715) 10.760 2.803 ( 2.935 8.531 -0.537) 9.037 2.831 ( 2.680 7.259 0.308) 7.744 2.849 ( 3.061 6.183 -0.612) 6.926 3.415 ( 4.670 3.572 0.891) 5.946 3.568 ( 5.040 3.919 -0.451) 6.400 4.554 ( 2.572 19.411 0.489) 19.587 4.829 ( 5.524 14.177 -0.563) 15.225 5.320 ( 6.524 -3.375 0.687) 7.377 6.423 ( 4.407 17.823 -0.593) 18.369 7.634 ( -3.184 7.611 0.133) 8.251 7.839 ( 15.021 -2.084 1.322) 15.222 12.180 ( -10.574 3.789 -0.302) 11.237 13.480 ( -13.333 -20.474 1.513) 24.479 13.685 ( -2.057 -17.500 -2.378) 17.780 16.324 ( 3.849 12.903 0.587) 13.478 18.376 ( -9.151 -5.894 -1.327) 10.966 18.858 ( 0.766 -15.790 0.929) 15.836 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 2.281 3.413 0.524) 4.138 2.868 ( 1.563 1.271 -0.268) 2.032 2.939 ( -0.578 10.672 -0.355) 10.694 2.964 ( 0.312 9.106 0.136) 9.112 3.531 ( 5.369 1.609 0.522) 5.629 3.658 ( 4.094 -0.856 -0.350) 4.197 4.725 ( -0.869 14.807 0.285) 14.835 5.003 ( -2.376 11.693 -0.266) 11.935 5.449 ( 9.682 2.204 0.056) 9.930 6.580 ( -6.027 17.681 -0.488) 18.686 7.692 ( 3.348 3.143 -0.235) 4.598 8.041 ( 13.566 -7.243 1.278) 15.431 12.048 ( -14.160 12.958 -0.145) 19.195 13.101 ( -7.586 -19.698 0.479) 21.114 13.537 ( 2.009 -12.817 -1.326) 13.041 16.526 ( 1.132 18.546 0.269) 18.583 18.135 ( -9.116 -9.133 -0.773) 12.927 18.739 ( 5.602 -19.623 0.836) 20.424 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.521 -0.952 0.796) 1.346 2.896 ( 0.949 0.980 -0.315) 1.400 3.004 ( -4.019 10.553 -0.459) 11.301 3.033 ( -3.255 9.369 0.009) 9.918 3.610 ( 3.317 -1.459 0.419) 3.648 3.694 ( 3.130 -3.788 -0.279) 4.921 4.826 ( -5.463 15.777 0.298) 16.699 5.008 ( -1.279 -0.450 -0.131) 1.362 5.617 ( 0.852 9.201 -0.509) 9.254 6.599 ( -11.056 18.660 -0.308) 21.691 7.769 ( 4.356 -2.714 -0.381) 5.146 8.153 ( 9.952 -11.283 1.300) 15.101 11.969 ( -13.702 19.649 0.159) 23.955 12.875 ( 2.480 -16.222 -0.405) 16.415 13.479 ( 3.718 -9.379 -0.705) 10.114 16.689 ( -6.647 21.825 -0.087) 22.815 17.938 ( -0.671 -11.265 -0.195) 11.287 18.675 ( 9.514 -19.808 0.669) 21.985 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.471 -1.220 0.445) 1.382 2.911 ( 0.289 -0.125 -0.072) 0.323 3.005 ( -7.060 9.027 -0.511) 11.472 3.029 ( -6.936 7.306 0.124) 10.074 3.607 ( -0.793 -3.805 0.467) 3.915 3.696 ( 1.902 -4.454 -0.287) 4.851 4.820 ( -11.301 12.213 0.370) 16.643 5.005 ( 0.669 0.865 -0.089) 1.098 5.607 ( -9.259 3.691 -0.386) 9.975 6.603 ( -10.353 19.143 -0.353) 21.767 7.762 ( -0.446 -5.434 -0.258) 5.458 8.159 ( 5.147 -14.228 1.189) 15.177 11.972 ( -10.005 21.906 0.130) 24.083 12.884 ( 13.881 -10.080 -0.520) 17.163 13.470 ( 5.502 -7.964 -0.602) 9.698 16.688 ( -15.642 16.527 -0.069) 22.756 17.935 ( 9.894 -5.047 -0.164) 11.108 18.680 ( 12.806 -18.020 0.591) 22.115 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -0.000 26.713 2.410) 26.822 2.034 ( -0.000 18.178 0.591) 18.187 2.313 ( -0.000 7.408 -0.511) 7.426 2.756 ( -0.000 5.201 -3.750) 6.412 3.117 ( -0.000 16.598 0.452) 16.604 3.142 ( 0.000 14.094 1.581) 14.182 3.472 ( -0.000 8.307 0.541) 8.324 4.610 ( -0.000 0.585 -0.417) 0.718 5.158 ( -0.000 31.105 0.706) 31.113 5.394 ( -0.000 8.304 -0.223) 8.307 7.130 ( -0.000 20.815 1.239) 20.851 7.862 ( 0.000 0.205 2.426) 2.434 12.322 ( 0.000 -23.233 -0.148) 23.233 14.453 ( 0.000 -19.181 0.034) 19.181 14.875 ( -0.000 -23.172 -2.743) 23.334 15.909 ( -0.000 -0.310 -0.066) 0.317 18.378 ( 0.000 -0.892 0.323) 0.949 19.309 ( -0.000 9.799 -0.924) 9.843 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 6.916 14.998 0.320) 16.519 2.310 ( 3.744 22.021 1.926) 22.420 2.430 ( 5.093 8.053 -0.462) 9.540 2.781 ( -0.309 2.763 -2.902) 4.019 3.260 ( 0.211 10.449 1.955) 10.633 3.301 ( 1.257 15.648 -0.427) 15.704 3.671 ( 12.860 10.058 0.511) 16.334 4.624 ( -0.360 3.362 -0.208) 3.388 5.320 ( -6.310 17.097 0.896) 18.247 5.654 ( 13.168 15.684 0.060) 20.479 7.315 ( 2.605 12.082 1.465) 12.446 7.875 ( -4.105 8.702 0.907) 9.664 12.158 ( 6.893 -21.647 -0.171) 22.719 14.222 ( -5.425 -18.543 -0.435) 19.325 14.513 ( -14.202 -21.642 -1.308) 25.919 15.965 ( 5.911 0.782 0.076) 5.963 18.406 ( 4.144 -3.103 0.505) 5.202 19.314 ( -7.051 3.837 -0.890) 8.076 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 6.259 12.933 0.083) 14.369 2.575 ( 8.345 9.981 1.108) 13.057 2.637 ( 6.694 12.313 0.134) 14.016 2.801 ( 0.321 2.417 -2.022) 3.168 3.349 ( -0.039 7.262 1.287) 7.375 3.458 ( 1.446 11.505 -0.363) 11.601 4.083 ( 21.153 12.935 0.406) 24.798 4.673 ( 1.027 6.237 0.002) 6.321 5.351 ( -5.437 9.283 0.960) 10.801 6.044 ( 14.749 14.488 0.010) 20.674 7.470 ( 5.647 5.291 1.504) 7.883 7.886 ( -7.970 13.528 -0.221) 15.702 12.126 ( 10.645 -16.120 -0.196) 19.319 13.911 ( -9.292 -19.075 -2.362) 21.349 14.037 ( -17.674 -17.523 1.462) 24.931 16.111 ( 8.173 4.524 0.202) 9.344 18.423 ( 3.207 -7.423 0.343) 8.093 19.152 ( -12.734 -1.498 -0.757) 12.845 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 4.960 9.463 0.304) 10.688 2.798 ( 6.784 7.201 0.044) 9.894 2.833 ( 2.790 3.670 -0.306) 4.621 2.850 ( 5.219 7.605 -0.308) 9.229 3.417 ( 0.681 5.862 0.655) 5.938 3.566 ( 0.983 6.263 -0.265) 6.345 4.557 ( 15.306 11.913 0.209) 19.397 4.823 ( 10.182 11.695 0.138) 15.507 5.319 ( -6.005 3.863 0.788) 7.183 6.419 ( 13.544 12.615 -0.159) 18.510 7.622 ( 8.094 1.319 1.325) 8.307 7.859 ( -9.778 11.916 -0.698) 15.430 12.180 ( 8.497 -7.284 -0.251) 11.194 13.511 ( -12.440 -22.588 -1.406) 25.825 13.648 ( -12.366 -9.931 1.056) 15.895 16.328 ( 9.042 9.827 0.252) 13.356 18.362 ( 0.202 -11.086 0.048) 11.088 18.871 ( -14.804 -6.890 -0.409) 16.334 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 1.815 2.906 0.802) 3.519 2.862 ( 0.929 2.093 -0.888) 2.456 3.004 ( 5.124 8.917 0.148) 10.285 3.013 ( 4.813 8.086 -0.102) 9.411 3.489 ( 1.945 3.547 0.336) 4.059 3.613 ( 0.591 0.899 -0.207) 1.096 4.772 ( 3.989 6.837 0.092) 7.916 5.233 ( -3.085 -3.278 0.419) 4.521 5.264 ( 14.667 22.995 0.031) 27.274 6.728 ( 7.570 12.893 -0.258) 14.953 7.759 ( 3.779 1.508 0.728) 4.134 7.797 ( -2.487 1.185 -0.296) 2.771 12.247 ( 1.706 2.889 -0.303) 3.369 13.096 ( -11.745 -19.104 0.399) 22.429 13.418 ( -4.110 -8.620 -0.514) 9.563 16.606 ( 8.954 15.620 0.216) 18.005 18.211 ( -5.718 -10.831 -0.398) 12.254 18.550 ( -9.121 -14.774 0.218) 17.364 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 0.266 -0.559 0.563) 0.837 2.891 ( 0.809 1.115 -0.404) 1.436 3.145 ( 0.329 10.116 0.050) 10.122 3.156 ( 1.032 9.664 -0.241) 9.722 3.542 ( 2.497 -0.835 0.362) 2.658 3.611 ( 1.315 -3.797 -0.235) 4.025 4.892 ( 3.574 5.362 0.033) 6.444 5.122 ( -6.315 -0.975 0.261) 6.395 5.694 ( 8.193 20.209 -0.313) 21.808 6.904 ( -2.879 14.978 -0.281) 15.255 7.715 ( -2.329 -0.966 -0.373) 2.549 7.874 ( 9.572 -9.375 0.910) 13.429 12.295 ( -3.934 11.363 -0.122) 12.026 12.767 ( -7.225 -14.168 0.242) 15.905 13.328 ( 2.298 -7.850 -0.539) 8.197 16.919 ( 5.552 21.363 0.038) 22.072 17.952 ( -12.211 -8.664 -0.447) 14.979 18.328 ( 4.690 -22.437 0.553) 22.928 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 0.200 -1.193 0.444) 1.288 2.907 ( 0.278 0.418 -0.278) 0.574 3.201 ( -5.100 9.316 -0.283) 10.625 3.213 ( -5.184 8.473 0.056) 9.934 3.557 ( 2.001 -3.959 0.464) 4.460 3.601 ( 3.306 -5.362 -0.295) 6.306 4.982 ( -0.825 -0.141 0.164) 0.853 5.026 ( -1.881 3.921 0.176) 4.353 5.871 ( -8.337 14.089 -0.407) 16.376 6.946 ( -8.791 15.774 -0.319) 18.061 7.690 ( 2.166 -4.222 -0.166) 4.748 7.911 ( 7.534 -13.087 0.834) 15.124 12.329 ( -8.450 15.256 0.228) 17.441 12.622 ( 5.174 -8.825 -0.383) 10.237 13.312 ( 3.995 -7.134 -0.345) 8.183 17.113 ( -11.701 20.090 -0.185) 23.250 17.757 ( 3.016 -5.272 -0.072) 6.074 18.263 ( 12.866 -22.027 0.420) 25.513 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -0.000 12.674 0.487) 12.683 2.448 ( -0.000 6.565 -0.488) 6.583 2.506 ( -0.000 20.446 1.069) 20.474 2.805 ( -0.000 2.389 -2.135) 3.204 3.358 ( 0.000 8.726 1.345) 8.829 3.443 ( -0.000 14.595 -0.235) 14.597 3.643 ( -0.000 8.688 0.558) 8.706 4.673 ( -0.000 6.066 0.147) 6.068 5.546 ( -0.000 7.150 -0.199) 7.153 5.656 ( -0.000 17.458 1.645) 17.536 7.397 ( 0.000 8.675 1.477) 8.800 8.035 ( -0.000 15.129 -0.347) 15.133 11.870 ( 0.000 -22.331 -0.182) 22.332 14.093 ( 0.000 -17.388 -0.353) 17.391 14.428 ( 0.000 -21.167 -0.790) 21.181 15.904 ( -0.000 -0.132 -0.064) 0.147 18.359 ( 0.000 -1.402 0.944) 1.690 19.399 ( -0.000 0.791 -1.075) 1.335 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.410 9.183 0.553) 11.212 2.548 ( 4.392 6.713 -0.515) 8.039 2.701 ( 2.003 14.431 0.606) 14.582 2.822 ( -0.251 2.518 -1.431) 2.907 3.433 ( -0.668 7.473 0.828) 7.548 3.566 ( -0.520 11.267 -0.131) 11.280 3.864 ( 15.256 9.140 0.460) 17.791 4.741 ( -0.397 8.383 0.458) 8.405 5.536 ( -6.130 6.632 0.564) 9.048 5.916 ( 12.658 8.002 0.834) 14.998 7.493 ( 0.775 9.109 1.153) 9.214 8.144 ( -5.046 15.495 -0.929) 16.323 11.752 ( 10.252 -19.291 -0.167) 21.846 13.871 ( -6.698 -16.930 -1.200) 18.246 14.128 ( -11.310 -16.969 0.797) 20.409 15.985 ( 8.737 1.225 -0.086) 8.823 18.345 ( -0.035 -3.440 0.893) 3.554 19.321 ( -8.150 -1.801 -1.105) 8.419 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 8.290 5.479 0.085) 9.937 2.719 ( 7.732 7.713 -0.070) 10.922 2.835 ( 1.350 4.157 0.962) 4.475 2.853 ( 1.206 5.282 -1.399) 5.595 3.490 ( -1.007 7.077 0.349) 7.157 3.641 ( -1.420 7.212 -0.030) 7.351 4.298 ( 23.802 8.835 0.234) 25.390 4.830 ( 1.163 9.037 0.615) 9.133 5.483 ( -6.398 4.450 0.670) 7.823 6.231 ( 17.322 4.278 0.313) 17.845 7.600 ( 1.099 8.525 0.884) 8.640 8.154 ( -9.819 12.520 -1.120) 15.951 11.831 ( 17.407 -13.449 -0.144) 21.998 13.521 ( -13.263 -18.352 -1.844) 22.718 13.791 ( -12.712 -9.407 2.010) 15.941 16.207 ( 13.518 5.026 -0.092) 14.422 18.274 ( -2.236 -7.692 0.710) 8.042 19.093 ( -15.115 -3.593 -1.002) 15.569 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 1.544 3.091 0.394) 3.477 2.875 ( 0.293 2.752 -0.930) 2.919 2.935 ( 9.915 4.894 0.241) 11.059 2.964 ( 7.540 4.571 0.177) 8.820 3.535 ( -1.287 5.501 -0.012) 5.650 3.656 ( -2.748 3.092 0.051) 4.138 4.726 ( 13.039 6.633 0.067) 14.629 4.999 ( 12.015 3.956 0.337) 12.655 5.446 ( -3.078 9.236 0.558) 9.751 6.576 ( 18.389 3.661 0.119) 18.751 7.687 ( 1.042 4.526 0.676) 4.693 8.055 ( -13.284 8.129 -1.041) 15.608 12.047 ( 18.209 -5.698 -0.113) 19.080 13.110 ( -13.232 -17.111 -0.919) 21.650 13.521 ( -11.786 -4.183 1.273) 12.571 16.528 ( 15.456 10.133 -0.025) 18.482 18.127 ( -3.320 -12.187 0.512) 12.642 18.749 ( -19.946 -5.058 -0.776) 20.592 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -0.691 0.049 0.041) 0.694 2.890 ( 0.550 1.182 -0.169) 1.314 3.145 ( 8.712 5.230 -0.095) 10.162 3.155 ( 7.812 5.802 0.245) 9.734 3.544 ( -2.033 1.820 -0.155) 2.733 3.610 ( -3.906 -0.807 0.091) 3.990 4.892 ( 2.884 5.782 0.090) 6.462 5.123 ( 2.252 -5.940 -0.094) 6.353 5.692 ( 13.570 17.139 0.336) 21.864 6.903 ( 14.466 4.963 0.090) 15.294 7.713 ( 0.337 -2.390 0.442) 2.454 7.879 ( -13.078 3.585 -0.724) 13.580 12.294 ( 11.777 2.340 -0.086) 12.008 12.768 ( -8.731 -13.498 -0.161) 16.077 13.325 ( -7.697 -1.904 0.426) 7.941 16.919 ( 15.719 15.439 0.044) 22.033 17.950 ( -1.335 -14.839 0.302) 14.902 18.331 ( -21.909 -7.153 -0.463) 23.052 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.398 -0.689 -0.000) 0.796 2.907 ( 0.334 0.578 0.000) 0.668 3.316 ( 3.686 6.384 -0.000) 7.372 3.321 ( 3.841 6.653 -0.000) 7.683 3.503 ( -1.578 -2.733 -0.000) 3.156 3.518 ( -2.851 -4.938 0.000) 5.702 4.981 ( 2.272 3.935 -0.000) 4.544 5.062 ( -2.253 -3.901 -0.000) 4.505 6.033 ( 6.327 10.959 -0.000) 12.655 7.124 ( 3.727 6.455 -0.000) 7.453 7.662 ( -1.562 -2.706 -0.000) 3.125 7.732 ( -2.598 -4.499 -0.000) 5.195 12.461 ( 3.235 5.604 -0.000) 6.471 12.566 ( -3.696 -6.401 -0.000) 7.391 13.230 ( -1.304 -2.258 -0.000) 2.607 17.343 ( 12.025 20.828 -0.000) 24.050 17.811 ( -4.428 -7.670 -0.000) 8.856 17.902 ( -9.962 -17.254 -0.000) 19.924 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 0.000 5.987 0.787) 6.039 2.572 ( -0.000 6.568 -0.797) 6.616 2.812 ( -0.000 9.769 0.544) 9.785 2.848 ( -0.000 3.174 -1.282) 3.423 3.512 ( -0.000 7.298 0.474) 7.313 3.679 ( -0.000 9.596 0.027) 9.597 3.804 ( -0.000 7.280 0.479) 7.295 4.841 ( -0.000 10.526 0.765) 10.554 5.666 ( -0.000 5.160 -0.168) 5.163 5.818 ( 0.000 -0.796 1.455) 1.658 7.599 ( -0.000 12.057 0.841) 12.087 8.332 ( -0.000 13.827 -1.279) 13.886 11.473 ( 0.000 -17.716 -0.125) 17.716 13.781 ( 0.000 -14.021 -0.489) 14.030 14.066 ( 0.000 -15.484 0.599) 15.495 15.903 ( -0.000 0.010 -0.068) 0.069 18.332 ( 0.000 -1.639 0.831) 1.838 19.368 ( -0.000 -2.658 -1.135) 2.890 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 5.985 3.740 0.608) 7.084 2.674 ( 4.936 5.538 -0.618) 7.444 2.861 ( -0.103 2.406 0.644) 2.493 2.897 ( -0.124 5.247 -1.146) 5.372 3.576 ( -0.796 6.857 0.170) 6.905 3.737 ( -1.874 6.291 0.121) 6.565 4.020 ( 16.248 6.385 0.327) 17.460 4.936 ( -1.542 10.621 0.862) 10.767 5.611 ( -5.987 0.827 0.409) 6.057 5.961 ( 14.992 -1.938 0.455) 15.123 7.710 ( -1.070 11.446 0.702) 11.517 8.400 ( -5.719 10.493 -1.415) 12.034 11.427 ( 12.556 -13.389 -0.090) 18.355 13.571 ( -9.753 -12.687 -0.609) 16.014 13.869 ( -7.037 -10.110 1.263) 12.382 16.008 ( 11.605 1.124 -0.098) 11.659 18.284 ( -3.733 -2.875 0.603) 4.750 19.265 ( -8.575 -2.888 -1.037) 9.108 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 9.556 2.736 0.297) 9.945 2.828 ( 7.277 3.592 -0.391) 8.125 2.887 ( 0.778 2.081 0.353) 2.250 2.920 ( -0.296 1.493 -0.482) 1.596 3.615 ( -1.654 5.065 -0.127) 5.330 3.741 ( -3.170 3.175 0.181) 4.490 4.428 ( 23.841 4.355 0.064) 24.235 4.994 ( -1.734 6.477 0.670) 6.739 5.545 ( -2.427 1.884 0.415) 3.101 6.246 ( 20.150 -1.380 0.195) 20.198 7.776 ( -2.627 7.714 0.590) 8.171 8.338 ( -11.036 6.640 -1.371) 12.952 11.620 ( 21.636 -7.631 -0.100) 22.943 13.227 ( -15.899 -10.517 -0.255) 19.064 13.663 ( -9.083 -4.623 1.189) 10.262 16.294 ( 18.778 3.555 -0.047) 19.112 18.146 ( -7.901 -5.217 0.379) 9.475 19.026 ( -16.121 -2.513 -0.859) 16.338 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 0.107 0.441 -0.309) 0.549 2.895 ( -1.001 0.822 -0.153) 1.305 3.001 ( 11.255 1.756 0.371) 11.397 3.033 ( 9.786 1.914 0.057) 9.972 3.612 ( -2.900 2.157 -0.332) 3.629 3.693 ( -4.847 0.816 0.227) 4.921 4.827 ( 16.355 3.220 -0.175) 16.669 5.007 ( 0.462 -1.321 0.140) 1.406 5.613 ( 7.485 5.307 0.567) 9.193 6.598 ( 21.668 -0.232 0.214) 21.671 7.767 ( -4.472 2.443 0.397) 5.111 8.160 ( -14.862 2.959 -1.159) 15.198 11.970 ( 23.876 -1.993 -0.170) 23.959 12.873 ( -15.221 -6.187 0.217) 16.432 13.475 ( -9.916 -1.330 0.713) 10.030 16.689 ( 22.210 5.090 0.088) 22.786 17.936 ( -9.434 -6.094 0.194) 11.233 18.678 ( -21.961 -1.720 -0.638) 22.038 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 2.383 0.641) 2.467 2.674 ( -0.000 3.771 -0.623) 3.822 2.883 ( 0.000 1.702 0.622) 1.812 2.938 ( -0.000 2.905 -1.043) 3.086 3.645 ( -0.000 5.528 0.032) 5.528 3.817 ( -0.000 4.564 0.147) 4.566 3.918 ( -0.000 4.039 0.340) 4.054 5.068 ( -0.000 11.562 0.916) 11.599 5.701 ( 0.000 -9.639 0.633) 9.660 5.743 ( -0.000 2.748 -0.125) 2.751 7.828 ( -0.000 9.476 0.677) 9.500 8.534 ( -0.000 7.212 -1.570) 7.381 11.199 ( 0.000 -9.815 -0.024) 9.815 13.562 ( 0.000 -7.810 0.207) 7.813 13.837 ( 0.000 -8.171 0.882) 8.218 15.903 ( -0.000 0.053 -0.071) 0.089 18.305 ( 0.000 -1.210 0.341) 1.257 19.312 ( -0.000 -2.183 -0.944) 2.378 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 6.058 1.169 0.564) 6.195 2.744 ( 4.901 1.895 -0.555) 5.284 2.898 ( 0.041 1.025 0.583) 1.180 2.947 ( -0.933 1.002 -0.789) 1.580 3.678 ( -1.021 2.930 -0.162) 3.107 3.816 ( -2.645 1.894 0.213) 3.260 4.106 ( 16.449 2.127 0.167) 16.587 5.123 ( -4.846 6.627 0.774) 8.246 5.575 ( -1.967 -3.495 0.199) 4.015 5.920 ( 15.436 -1.210 0.075) 15.484 7.885 ( -1.970 4.914 0.635) 5.332 8.533 ( -6.005 3.644 -1.581) 7.199 11.246 ( 13.707 -4.775 -0.016) 14.515 13.401 ( -11.721 -4.153 0.551) 12.447 13.738 ( -4.531 -3.782 0.814) 5.958 16.025 ( 13.498 0.479 -0.037) 13.506 18.244 ( -5.974 -1.277 0.133) 6.110 19.219 ( -8.707 -1.087 -0.814) 8.813 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 9.907 0.029 0.380) 9.915 2.862 ( 6.956 0.172 -0.403) 6.969 2.906 ( 0.501 -0.253 -0.222) 0.604 2.934 ( -0.282 0.221 0.184) 0.403 3.665 ( -2.042 -0.225 -0.335) 2.082 3.772 ( -3.738 0.084 0.250) 3.747 4.468 ( 23.666 -0.273 -0.110) 23.668 5.061 ( -4.956 -0.116 0.451) 4.978 5.559 ( 1.651 -0.670 0.226) 1.796 6.228 ( 20.964 0.159 0.190) 20.965 7.857 ( -3.946 -0.320 0.486) 3.988 8.400 ( -11.365 0.225 -1.442) 11.458 11.544 ( 23.095 0.066 -0.096) 23.096 13.130 ( -17.042 0.770 0.755) 17.076 13.616 ( -7.655 -0.575 0.619) 7.701 16.332 ( 21.184 0.015 0.073) 21.184 18.091 ( -10.458 -0.172 0.044) 10.459 18.999 ( -16.403 0.262 -0.685) 16.419 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.000 -0.138 0.619) 0.634 2.710 ( -0.000 0.143 -0.580) 0.597 2.905 ( 0.000 0.077 0.581) 0.586 2.960 ( -0.000 0.217 -0.714) 0.747 3.700 ( -0.000 -0.311 -0.234) 0.390 3.862 ( 0.000 0.089 0.197) 0.216 3.957 ( 0.000 -0.292 0.193) 0.350 5.226 ( 0.000 0.129 0.951) 0.960 5.553 ( 0.000 -1.115 -0.096) 1.119 5.771 ( -0.000 0.182 -0.051) 0.189 7.926 ( 0.000 -0.313 0.637) 0.710 8.600 ( -0.000 0.241 -1.664) 1.682 11.102 ( 0.000 0.049 0.045) 0.067 13.496 ( 0.000 1.027 1.032) 1.456 13.753 ( 0.000 -0.760 0.611) 0.975 15.904 ( -0.000 0.014 -0.073) 0.074 18.291 ( 0.000 -0.208 0.005) 0.209 19.288 ( -0.000 0.284 -0.768) 0.819 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 6.136 -1.398 0.572) 6.319 2.744 ( 4.888 -1.607 -0.543) 5.174 2.900 ( -0.187 -1.008 0.385) 1.095 2.949 ( -0.848 -0.588 -0.470) 1.134 3.672 ( -0.978 -3.539 -0.339) 3.687 3.818 ( -2.620 -1.727 0.261) 3.149 4.101 ( 16.408 -2.660 0.031) 16.623 5.126 ( -5.008 -6.706 0.866) 8.414 5.559 ( -1.747 2.177 -0.242) 2.801 5.922 ( 15.481 1.216 0.124) 15.529 7.881 ( -1.993 -5.576 0.521) 5.944 8.531 ( -5.984 -3.228 -1.616) 6.989 11.247 ( 13.701 4.877 0.012) 14.543 13.423 ( -11.934 6.053 1.130) 13.429 13.727 ( -4.402 2.365 0.520) 5.024 16.025 ( 13.521 -0.452 -0.028) 13.528 18.240 ( -5.945 0.952 0.039) 6.021 19.222 ( -8.710 1.601 -0.750) 8.888 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 -2.896 0.548) 2.948 2.677 ( -0.000 -3.275 -0.524) 3.317 2.889 ( 0.000 -2.163 0.220) 2.174 2.942 ( -0.000 -1.941 -0.368) 1.975 3.630 ( 0.000 -6.308 -0.353) 6.318 3.823 ( 0.000 -4.348 0.260) 4.356 3.909 ( 0.000 -4.559 0.080) 4.560 5.075 ( 0.000 -11.630 1.132) 11.685 5.667 ( -0.000 8.322 -0.327) 8.329 5.750 ( 0.000 -2.414 0.056) 2.415 7.820 ( 0.000 -10.249 0.441) 10.259 8.528 ( -0.000 -6.975 -1.688) 7.177 11.201 ( -0.000 9.879 0.029) 9.879 13.610 ( 0.000 9.844 1.476) 9.954 13.812 ( -0.000 6.652 0.216) 6.656 15.903 ( -0.000 -0.025 -0.072) 0.076 18.299 ( 0.000 1.045 0.186) 1.062 19.315 ( -0.000 2.594 -0.844) 2.728 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 0.000 -0.000 6.510) 6.510 0.193 ( 0.000 -0.000 6.510) 6.510 0.346 ( 0.000 -0.000 22.021) 22.021 1.899 ( -0.000 0.000 -0.887) 0.887 1.899 ( -0.000 0.000 -0.887) 0.887 3.110 ( 0.000 -0.000 0.175) 0.175 3.110 ( 0.000 -0.000 0.175) 0.175 3.176 ( -0.000 0.000 -3.382) 3.382 4.950 ( -0.000 0.000 -0.053) 0.053 4.950 ( -0.000 0.000 -0.053) 0.053 5.237 ( -0.000 0.000 -0.546) 0.546 8.391 ( 0.000 -0.000 6.799) 6.799 13.422 ( 0.000 -0.000 0.205) 0.205 13.422 ( 0.000 -0.000 0.205) 0.205 15.934 ( -0.000 0.000 -0.128) 0.128 15.934 ( -0.000 0.000 -0.128) 0.128 16.810 ( 0.000 -0.000 11.211) 11.211 19.304 ( -0.000 0.000 -12.156) 12.156 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 10.771 6.219 15.852) 20.149 0.594 ( 23.392 13.506 2.408) 27.118 0.989 ( 39.778 22.966 1.049) 45.944 1.937 ( 3.344 1.931 -0.885) 3.961 2.068 ( 13.414 7.744 0.207) 15.490 3.035 ( -5.027 -2.902 -2.907) 6.492 3.133 ( 2.076 1.198 0.226) 2.407 3.445 ( 18.962 10.948 -5.446) 22.563 4.844 ( -5.645 -3.259 -0.163) 6.520 4.990 ( 3.378 1.950 -0.133) 3.903 5.454 ( 17.707 10.223 3.977) 20.829 8.295 ( -6.942 -4.008 5.502) 9.723 13.340 ( -7.177 -4.144 0.200) 8.290 14.888 ( 57.048 32.937 -45.499) 80.059 15.800 ( -11.548 -6.667 -0.897) 13.365 15.931 ( -0.217 -0.125 -0.119) 0.277 17.178 ( 34.183 19.736 1.772) 39.511 18.969 ( -16.580 -9.573 -0.626) 19.155 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 22.653 13.079 7.563) 27.229 1.124 ( 22.736 13.127 1.639) 26.304 1.829 ( 33.765 19.494 -0.597) 38.993 2.038 ( 5.609 3.238 -0.880) 6.537 2.429 ( 17.225 9.945 1.883) 19.979 2.939 ( -2.550 -1.472 -2.719) 4.008 3.204 ( 4.120 2.379 0.358) 4.771 3.926 ( 24.530 14.162 -4.234) 28.639 4.735 ( -3.904 -2.254 -0.389) 4.525 5.095 ( 5.837 3.370 -0.329) 6.748 5.974 ( 26.216 15.136 3.562) 30.481 8.126 ( -8.740 -5.046 4.821) 11.184 13.106 ( -13.399 -7.736 0.188) 15.473 15.299 ( -2.683 -1.549 -12.946) 13.312 15.458 ( -16.818 -9.710 -2.301) 19.556 15.924 ( -0.364 -0.210 -0.093) 0.431 18.038 ( 31.179 18.001 -3.120) 36.137 18.792 ( 2.432 1.404 -3.903) 4.809 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 25.208 14.554 4.309) 29.425 1.611 ( 19.963 11.526 1.387) 23.094 2.176 ( 6.550 3.782 -0.868) 7.613 2.475 ( 22.677 13.093 -2.263) 26.283 2.812 ( 15.723 9.077 2.481) 18.324 2.925 ( 2.582 1.491 -1.810) 3.488 3.319 ( 5.954 3.438 0.511) 6.894 4.498 ( 21.643 12.496 -1.398) 25.030 4.695 ( 5.078 2.932 -1.561) 6.068 5.243 ( 7.085 4.090 -0.536) 8.198 6.591 ( 26.808 15.478 2.135) 31.029 7.937 ( -8.267 -4.773 4.910) 10.734 12.749 ( -17.939 -10.357 0.165) 20.715 14.985 ( -18.732 -10.815 -5.498) 22.318 15.121 ( -14.663 -8.466 0.962) 16.959 15.916 ( -0.390 -0.225 -0.057) 0.453 18.390 ( 4.552 2.628 -0.239) 5.261 19.042 ( 15.231 8.794 -3.748) 17.982 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 23.099 13.336 2.995) 26.841 2.020 ( 15.962 9.216 1.174) 18.469 2.322 ( 6.352 3.668 -0.843) 7.383 2.765 ( 4.944 2.854 -3.670) 6.786 3.121 ( 12.764 7.369 1.022) 14.774 3.137 ( 13.556 7.826 1.021) 15.686 3.471 ( 7.321 4.227 0.587) 8.474 4.615 ( 1.517 0.876 -0.789) 1.921 5.201 ( 26.295 15.182 -1.125) 30.384 5.403 ( 7.062 4.077 -0.634) 8.179 7.131 ( 19.005 10.973 1.069) 21.972 7.822 ( -0.736 -0.425 4.304) 4.387 12.316 ( -20.078 -11.592 0.129) 23.185 14.547 ( -18.642 -10.763 -5.058) 22.112 14.762 ( -17.051 -9.845 3.141) 19.938 15.908 ( -0.291 -0.168 -0.016) 0.336 18.421 ( -0.351 -0.202 -1.399) 1.456 19.295 ( 7.027 4.057 -0.432) 8.125 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 11.371 6.565 0.941) 13.163 2.453 ( 5.390 3.112 -0.783) 6.273 2.479 ( 17.583 10.151 2.425) 20.447 2.825 ( 2.107 1.217 -2.901) 3.786 3.347 ( 7.818 4.513 1.840) 9.212 3.450 ( 12.585 7.266 -0.559) 14.542 3.644 ( 7.672 4.429 0.490) 8.872 4.692 ( 5.694 3.288 -1.154) 6.676 5.551 ( 6.016 3.473 -0.552) 6.968 5.681 ( 14.652 8.459 -0.035) 16.919 7.404 ( 7.505 4.333 0.988) 8.723 7.992 ( 13.374 7.722 2.503) 15.645 11.867 ( -19.263 -11.121 0.078) 22.243 14.139 ( -16.520 -9.538 -3.841) 19.459 14.388 ( -16.145 -9.321 2.372) 18.793 15.903 ( -0.130 -0.075 0.022) 0.152 18.392 ( -1.732 -1.000 -1.242) 2.354 19.373 ( 0.469 0.271 0.628) 0.829 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 6.103 3.524 0.167) 7.050 2.563 ( 4.821 2.783 -0.131) 5.568 2.789 ( 9.340 5.392 2.098) 10.986 2.864 ( 1.810 1.045 -2.094) 2.959 3.507 ( 6.569 3.793 0.884) 7.637 3.684 ( 8.245 4.760 -0.441) 9.531 3.806 ( 6.410 3.701 0.219) 7.405 4.861 ( 9.153 5.285 -1.203) 10.638 5.667 ( 4.331 2.500 -0.315) 5.011 5.828 ( -1.035 -0.598 0.487) 1.291 7.605 ( 10.660 6.155 0.190) 12.311 8.301 ( 12.070 6.968 1.753) 14.047 11.472 ( -15.272 -8.817 0.020) 17.635 13.800 ( -12.722 -7.345 -2.367) 14.880 14.064 ( -12.413 -7.166 0.806) 14.355 15.902 ( 0.002 0.001 0.053) 0.053 18.347 ( -1.935 -1.117 -0.666) 2.331 19.348 ( -2.180 -1.259 0.847) 2.656 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 2.026 1.170 -0.773) 2.464 2.666 ( 3.320 1.917 0.748) 3.906 2.895 ( 1.258 0.726 -1.340) 1.977 2.922 ( 2.831 1.635 1.509) 3.601 3.643 ( 4.793 2.768 0.354) 5.546 3.820 ( 3.914 2.260 -0.280) 4.528 3.921 ( 3.525 2.035 -0.080) 4.071 5.080 ( 9.906 5.719 -1.092) 11.491 5.703 ( -8.439 -4.872 0.297) 9.749 5.743 ( 2.331 1.346 -0.056) 2.692 7.835 ( 8.311 4.798 -0.494) 9.609 8.513 ( 6.252 3.609 1.761) 7.431 11.199 ( -8.465 -4.887 -0.029) 9.774 13.572 ( -6.767 -3.907 -1.422) 7.942 13.845 ( -6.914 -3.992 -0.296) 7.989 15.902 ( 0.045 0.026 0.072) 0.089 18.308 ( -1.287 -0.743 -0.186) 1.497 19.301 ( -1.783 -1.029 0.850) 2.227 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -0.144 -0.083 -0.740) 0.758 2.706 ( 0.148 0.086 0.698) 0.718 2.908 ( -0.023 -0.013 -0.732) 0.732 2.955 ( 0.303 0.175 0.874) 0.941 3.699 ( -0.293 -0.169 0.247) 0.419 3.864 ( 0.080 0.046 -0.205) 0.225 3.958 ( -0.274 -0.158 -0.209) 0.379 5.232 ( 0.131 0.076 -1.042) 1.052 5.552 ( -1.053 -0.608 0.117) 1.222 5.771 ( 0.170 0.098 0.056) 0.205 7.930 ( -0.300 -0.173 -0.715) 0.795 8.589 ( 0.236 0.136 1.825) 1.845 11.103 ( 0.046 0.027 -0.049) 0.073 13.502 ( 0.954 0.551 -1.116) 1.569 13.757 ( -0.707 -0.408 -0.660) 1.050 15.903 ( 0.013 0.008 0.079) 0.080 18.291 ( -0.195 -0.113 -0.009) 0.225 19.284 ( 0.267 0.154 0.835) 0.890 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 11.858 15.886) 19.824 0.622 ( -0.000 26.919 1.965) 26.990 0.975 ( -0.000 46.162 1.060) 46.175 1.931 ( -0.000 3.671 -0.820) 3.762 2.073 ( -0.000 15.847 0.114) 15.847 3.027 ( -0.000 -5.829 -3.162) 6.631 3.136 ( -0.000 2.491 0.194) 2.499 3.427 ( -0.000 20.996 -4.807) 21.539 4.835 ( 0.000 -6.902 0.236) 6.906 4.984 ( -0.000 3.606 -0.049) 3.606 5.487 ( 0.000 22.032 2.893) 22.221 8.306 ( 0.000 -8.092 5.452) 9.757 13.343 ( 0.000 -8.127 0.150) 8.128 14.800 ( -0.000 64.453 -38.893) 75.279 15.844 ( -0.000 -6.579 -3.539) 7.470 15.931 ( -0.000 -0.240 -0.117) 0.267 17.182 ( -0.000 38.842 2.142) 38.901 18.927 ( 0.000 -23.458 -0.098) 23.458 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 10.715 20.079 9.515) 24.668 1.027 ( 13.242 24.973 1.493) 28.306 1.602 ( 20.789 35.127 -0.206) 40.818 2.004 ( 3.362 5.263 -0.800) 6.297 2.329 ( 9.518 16.942 1.453) 19.486 2.947 ( -1.962 -3.658 -3.096) 5.178 3.193 ( 2.558 4.699 0.292) 5.358 3.755 ( 13.392 21.713 -4.267) 25.865 4.749 ( -2.384 -4.993 -0.017) 5.533 5.073 ( 4.090 6.165 -0.289) 7.404 5.835 ( 12.553 24.685 3.379) 27.899 8.188 ( -4.929 -8.238 4.607) 10.648 13.199 ( -6.262 -10.389 0.153) 12.132 15.194 ( 6.673 2.398 -14.467) 16.111 15.592 ( -15.076 -12.077 -4.593) 19.856 15.964 ( 0.278 1.702 -0.979) 1.982 17.865 ( 23.108 45.161 -5.974) 51.080 18.718 ( -0.425 -11.653 -0.157) 11.662 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 18.726 21.194 5.373) 28.788 1.499 ( 14.136 22.096 1.214) 26.259 2.132 ( 4.826 6.612 -0.788) 8.224 2.253 ( 21.280 22.489 -1.594) 31.002 2.681 ( 12.664 13.899 2.337) 18.948 2.903 ( 0.370 -0.440 -2.549) 2.613 3.311 ( 3.601 8.440 0.444) 9.187 4.257 ( 21.378 20.399 -2.371) 29.643 4.672 ( -1.307 -3.382 -0.611) 3.677 5.223 ( 4.626 9.323 -0.524) 10.421 6.363 ( 20.641 22.228 2.468) 30.434 8.015 ( -6.853 -7.808 4.509) 11.325 12.933 ( -13.252 -9.885 0.167) 16.533 15.113 ( -3.222 -16.138 -1.338) 16.511 15.157 ( -17.544 -16.001 -5.145) 24.296 15.960 ( -2.046 2.069 0.346) 2.931 18.446 ( 0.922 19.126 0.192) 19.149 18.795 ( 18.949 3.165 -5.058) 19.866 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 20.404 18.807 3.436) 27.961 1.923 ( 12.141 18.364 1.070) 22.041 2.283 ( 4.839 7.383 -0.769) 8.861 2.679 ( 9.617 7.397 -3.360) 12.589 2.995 ( 9.960 7.946 -0.561) 12.754 3.013 ( 11.360 9.341 2.167) 14.866 3.477 ( 3.523 12.637 0.552) 13.131 4.599 ( 0.800 0.134 -0.195) 0.835 4.875 ( 24.879 13.454 -1.659) 28.333 5.409 ( 4.846 13.130 -0.770) 14.017 6.924 ( 20.741 17.281 1.220) 27.024 7.848 ( -4.674 -5.940 4.268) 8.680 12.570 ( -19.103 -7.836 0.146) 20.648 14.695 ( -16.284 -17.138 -4.770) 24.117 14.827 ( -8.750 -19.967 2.206) 21.911 15.952 ( -1.936 3.199 0.514) 3.774 18.489 ( -4.791 6.055 -1.461) 7.858 19.137 ( 14.028 2.061 -1.027) 14.216 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 10.161 13.425 0.915) 16.862 2.302 ( 16.647 15.244 2.422) 22.702 2.431 ( 4.023 7.771 -0.612) 8.772 2.787 ( 2.855 1.191 -3.045) 4.341 3.256 ( 8.791 5.463 2.007) 10.543 3.305 ( 13.026 8.841 -0.586) 15.754 3.671 ( 2.476 16.092 0.533) 16.290 4.634 ( 3.674 1.630 -0.923) 4.124 5.337 ( 17.448 2.379 -0.248) 17.611 5.669 ( 7.554 19.253 -0.933) 20.703 7.327 ( 9.520 8.690 0.601) 12.903 7.841 ( 8.875 0.678 3.254) 9.477 12.154 ( -22.207 -4.761 0.099) 22.711 14.262 ( -14.354 -16.599 -3.505) 22.223 14.469 ( -10.250 -19.669 1.989) 22.269 15.960 ( -2.138 5.295 0.391) 5.724 18.441 ( -4.723 1.763 -1.736) 5.332 19.291 ( 6.412 -4.487 0.630) 7.851 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 5.581 10.353 0.616) 11.778 2.550 ( 2.662 7.061 -0.632) 7.572 2.682 ( 11.524 9.089 2.263) 14.850 2.833 ( 2.285 0.886 -2.246) 3.324 3.429 ( 6.951 3.277 1.133) 7.768 3.570 ( 10.023 5.147 -0.519) 11.279 3.865 ( 0.476 17.702 0.331) 17.712 4.757 ( 7.713 3.884 -1.178) 8.716 5.540 ( 8.592 -2.080 0.104) 8.841 5.929 ( 0.517 14.627 -0.463) 14.644 7.501 ( 7.463 5.287 0.347) 9.152 8.115 ( 15.996 3.553 1.988) 16.506 11.750 ( -21.800 -0.711 0.053) 21.811 13.878 ( -11.315 -16.109 -1.858) 19.774 14.132 ( -8.677 -16.081 0.465) 18.278 15.982 ( -3.159 8.043 0.248) 8.645 18.365 ( -3.405 -2.013 -1.181) 4.128 19.300 ( 2.543 -7.912 0.996) 8.370 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.224 6.939 -0.745) 6.983 2.665 ( 2.346 7.159 0.719) 7.568 2.873 ( 2.172 1.025 -1.036) 2.615 2.880 ( 4.612 2.712 1.286) 5.502 3.574 ( 6.392 2.714 0.447) 6.958 3.740 ( 6.359 1.517 -0.363) 6.548 4.021 ( -2.504 17.188 0.050) 17.369 4.948 ( 9.939 3.867 -1.135) 10.725 5.612 ( 3.713 -4.773 0.240) 6.052 5.965 ( -9.380 11.901 -0.254) 15.155 7.716 ( 10.552 4.835 -0.324) 11.611 8.381 ( 11.924 0.371 1.746) 12.056 11.426 ( -17.837 4.185 0.021) 18.321 13.573 ( -5.729 -15.160 -0.990) 16.237 13.880 ( -5.400 -10.690 -0.529) 11.989 16.007 ( -4.757 10.601 0.119) 11.620 18.291 ( -0.956 -4.824 -0.522) 4.945 19.253 ( 1.898 -8.776 0.966) 9.031 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -2.014 5.784 -0.689) 6.164 2.740 ( -0.800 5.225 0.668) 5.327 2.902 ( 0.777 0.437 -0.825) 1.215 2.941 ( 1.459 -0.141 0.992) 1.770 3.677 ( 3.039 0.548 0.262) 3.099 3.817 ( 2.951 -1.340 -0.258) 3.252 4.106 ( -6.369 15.254 -0.107) 16.531 5.128 ( 8.133 -0.989 -0.882) 8.241 5.575 ( -2.064 -3.434 0.026) 4.007 5.920 ( -8.827 12.790 -0.111) 15.540 7.888 ( 5.254 0.729 -0.655) 5.345 8.523 ( 6.156 -3.332 1.764) 7.219 11.246 ( -10.968 9.467 0.002) 14.488 13.405 ( 2.420 -12.221 -0.920) 12.492 13.743 ( -1.094 -5.834 -0.718) 5.979 16.024 ( -6.331 11.958 0.035) 13.531 18.244 ( 1.797 -5.850 -0.095) 6.121 19.214 ( 3.456 -8.042 0.849) 8.794 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 25.108 7.500) 26.205 1.150 ( -0.000 26.056 0.911) 26.071 1.820 ( -0.000 39.222 -0.510) 39.225 2.028 ( -0.000 6.370 -0.630) 6.401 2.441 ( -0.000 20.083 1.653) 20.151 2.924 ( -0.000 -2.955 -3.117) 4.295 3.208 ( -0.000 4.808 0.246) 4.814 3.893 ( -0.000 28.474 -3.128) 28.645 4.723 ( 0.000 -4.933 0.171) 4.936 5.085 ( -0.000 6.561 -0.034) 6.561 6.017 ( -0.000 29.685 2.307) 29.774 8.149 ( 0.000 -9.710 4.222) 10.588 13.112 ( 0.000 -15.382 0.015) 15.382 15.119 ( -0.000 -6.986 -5.083) 8.640 15.649 ( -0.000 -12.293 -9.622) 15.611 15.924 ( -0.000 -0.398 -0.093) 0.408 18.103 ( -0.000 42.581 -8.108) 43.346 18.636 ( 0.000 -3.445 3.439) 4.868 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 8.138 26.782 4.947) 28.425 1.511 ( 11.194 23.469 0.712) 26.011 2.127 ( 3.641 7.345 -0.572) 8.218 2.250 ( 8.864 29.720 -1.520) 31.051 2.687 ( 5.543 17.997 2.119) 18.950 2.894 ( -0.298 -0.005 -2.531) 2.548 3.314 ( 5.402 7.420 0.321) 9.184 4.245 ( 7.799 29.154 -1.753) 30.230 4.662 ( -1.633 -3.875 -0.101) 4.206 5.216 ( 6.207 8.427 -0.199) 10.468 6.379 ( 7.799 28.866 1.773) 29.953 8.029 ( -3.697 -9.405 3.888) 10.828 12.937 ( -2.206 -16.300 0.014) 16.449 14.979 ( -2.344 -17.545 0.634) 17.712 15.303 ( -17.466 -15.598 -7.452) 24.574 15.966 ( 2.661 -0.635 0.084) 2.737 18.504 ( 15.068 2.992 -3.778) 15.820 18.700 ( -2.999 25.206 0.429) 25.387 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 13.594 24.145 3.274) 27.901 1.926 ( 11.481 20.450 0.685) 23.462 2.280 ( 5.016 8.438 -0.583) 9.833 2.617 ( 7.570 13.210 -2.953) 15.509 2.946 ( 5.461 9.123 -0.301) 10.637 2.963 ( 6.855 11.943 1.515) 13.854 3.527 ( 7.461 13.142 0.449) 15.119 4.599 ( -0.771 0.405 0.407) 0.962 4.695 ( 13.584 20.294 -1.455) 24.464 5.437 ( 7.671 12.724 -0.511) 14.866 6.826 ( 13.484 23.696 1.080) 27.285 7.872 ( -5.086 -8.004 3.505) 10.110 12.715 ( -7.464 -12.683 0.045) 14.717 14.697 ( -8.011 -22.742 1.261) 24.144 14.830 ( -15.925 -17.784 -4.473) 24.288 15.994 ( 0.632 1.577 0.732) 1.850 18.607 ( 0.699 -0.224 -1.244) 1.445 18.967 ( 7.000 12.131 -0.791) 14.028 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 13.971 18.228 1.990) 23.053 2.288 ( 9.151 18.009 0.932) 20.222 2.448 ( 4.437 9.432 -0.541) 10.438 2.750 ( 2.677 2.503 -2.835) 4.634 3.183 ( 7.461 8.061 1.821) 11.134 3.203 ( 9.709 10.932 -0.456) 14.628 3.805 ( 5.425 20.102 0.532) 20.827 4.600 ( 1.611 0.977 -0.525) 1.956 5.102 ( 14.747 9.535 -0.125) 17.561 5.727 ( 8.505 18.898 -0.776) 20.738 7.260 ( 12.427 16.616 0.272) 20.751 7.749 ( -0.459 -5.394 3.039) 6.208 12.437 ( -14.330 -6.142 0.020) 15.591 14.296 ( -12.314 -21.149 -1.095) 24.497 14.417 ( -10.054 -22.030 -0.616) 24.224 16.034 ( 0.291 5.048 0.784) 5.117 18.564 ( -5.898 1.653 -1.833) 6.393 19.118 ( 6.398 -3.726 0.644) 7.432 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 7.829 12.037 0.715) 14.377 2.590 ( 4.233 12.306 -0.428) 13.021 2.621 ( 7.418 11.938 1.613) 14.148 2.801 ( 2.167 1.452 -2.036) 3.309 3.349 ( 6.225 3.609 1.182) 7.292 3.460 ( 9.332 6.954 -0.504) 11.649 4.082 ( 0.707 24.714 0.478) 24.728 4.682 ( 5.334 3.994 -0.885) 6.722 5.358 ( 10.748 -0.299 0.222) 10.755 6.051 ( 5.481 19.756 -0.751) 20.516 7.484 ( 1.552 7.636 0.016) 7.792 7.862 ( 15.415 -0.014 2.158) 15.565 12.124 ( -19.318 1.237 -0.020) 19.358 13.887 ( -11.966 -20.390 0.163) 23.643 14.064 ( -5.889 -21.094 -1.356) 21.943 16.107 ( -0.258 9.409 0.610) 9.432 18.443 ( -7.834 -1.319 -1.635) 8.110 19.134 ( 4.765 -11.608 1.112) 12.597 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 2.815 9.575 0.431) 9.990 2.722 ( 0.475 10.846 -0.527) 10.869 2.834 ( 4.662 5.000 1.779) 7.063 2.849 ( 2.303 2.115 -1.512) 3.473 3.489 ( 6.630 2.627 0.534) 7.151 3.643 ( 6.992 2.359 -0.380) 7.389 4.298 ( -4.131 24.919 0.276) 25.260 4.840 ( 7.363 5.418 -1.001) 9.196 5.486 ( 7.037 -3.331 0.218) 7.789 6.236 ( -4.993 16.980 -0.543) 17.707 7.607 ( 6.779 5.217 -0.228) 8.557 8.137 ( 15.690 -2.101 1.627) 15.913 11.830 ( -20.370 8.384 0.000) 22.027 13.507 ( -8.488 -20.818 0.432) 22.486 13.813 ( -2.294 -15.553 -1.581) 15.801 16.205 ( -2.332 14.254 0.343) 14.448 18.285 ( -5.791 -5.954 -1.008) 8.366 19.080 ( 4.488 -14.760 1.079) 15.465 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -2.317 9.483 -0.440) 9.772 2.826 ( -0.627 8.262 0.489) 8.300 2.889 ( 1.490 1.228 -0.497) 1.994 2.917 ( 1.389 1.036 0.622) 1.841 3.614 ( 5.212 1.058 0.311) 5.327 3.743 ( 4.334 -1.162 -0.282) 4.495 4.428 ( -8.110 22.750 0.092) 24.153 4.998 ( 6.434 1.591 -0.759) 6.672 5.546 ( 2.860 -1.080 -0.116) 3.059 6.248 ( -11.328 16.736 -0.293) 20.211 7.779 ( 8.012 1.554 -0.519) 8.178 8.330 ( 11.240 -6.165 1.570) 12.916 11.620 ( -17.429 14.905 0.074) 22.933 13.227 ( -0.852 -18.961 -0.213) 18.981 13.670 ( 0.346 -10.272 -1.072) 10.334 16.294 ( -6.260 18.077 0.063) 19.131 18.148 ( -0.712 -9.513 -0.371) 9.547 19.020 ( 5.937 -15.150 0.888) 16.296 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 28.475 3.480) 28.686 1.633 ( -0.000 22.830 0.427) 22.834 2.165 ( -0.000 7.539 -0.390) 7.549 2.464 ( -0.000 25.810 -2.107) 25.896 2.829 ( 0.000 18.042 1.977) 18.150 2.906 ( -0.000 3.475 -1.770) 3.900 3.324 ( -0.000 6.856 0.305) 6.863 4.501 ( -0.000 32.865 -1.115) 32.884 4.646 ( 0.000 -2.080 0.534) 2.148 5.231 ( -0.000 8.156 -0.005) 8.156 6.617 ( -0.000 29.863 1.069) 29.882 7.976 ( 0.000 -8.933 3.160) 9.475 12.756 ( 0.000 -20.706 -0.130) 20.706 14.832 ( 0.000 -18.694 1.728) 18.774 15.293 ( -0.000 -19.796 -6.920) 20.970 15.916 ( -0.000 -0.420 -0.073) 0.426 18.388 ( -0.000 0.520 -0.939) 1.073 18.979 ( -0.000 24.065 -0.366) 24.068 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 5.610 26.953 2.377) 27.633 1.935 ( 9.427 19.608 0.299) 21.758 2.276 ( 4.191 7.891 -0.342) 8.942 2.667 ( 1.461 11.552 -2.948) 12.012 2.987 ( 2.161 12.741 -0.147) 12.923 3.023 ( 2.362 14.756 1.546) 15.023 3.480 ( 9.240 9.359 0.305) 13.155 4.606 ( -0.783 -1.267 -0.336) 1.527 4.839 ( 0.678 30.085 0.503) 30.097 5.399 ( 9.038 10.574 -0.096) 13.911 6.931 ( 4.273 25.861 0.778) 26.223 7.877 ( -3.196 -6.341 2.328) 7.473 12.574 ( 2.613 -20.443 -0.133) 20.610 14.604 ( -5.026 -20.258 1.778) 20.948 14.925 ( -15.730 -20.206 -4.716) 26.038 15.958 ( 4.024 -0.078 0.122) 4.027 18.462 ( 7.851 -2.524 0.108) 8.247 19.136 ( -4.452 15.299 -0.746) 15.951 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 8.389 21.289 1.352) 22.922 2.291 ( 10.828 16.860 0.658) 20.048 2.447 ( 6.053 8.706 -0.424) 10.612 2.743 ( 0.942 3.467 -2.322) 4.278 3.187 ( 3.445 11.053 1.598) 11.687 3.201 ( 4.471 13.296 -0.407) 14.033 3.807 ( 14.628 14.803 0.302) 20.813 4.597 ( 0.141 1.526 -0.183) 1.543 5.095 ( 1.632 17.543 0.563) 17.628 5.722 ( 12.469 16.573 -0.237) 20.741 7.257 ( 8.227 18.424 0.636) 20.188 7.765 ( -5.153 -2.240 1.441) 5.801 12.439 ( 1.711 -15.452 -0.108) 15.547 14.280 ( -9.719 -20.056 0.526) 22.293 14.431 ( -16.693 -21.031 -2.001) 26.925 16.039 ( 4.023 2.900 0.351) 4.971 18.547 ( 5.378 -4.874 -0.072) 7.259 19.130 ( -6.917 4.328 -0.479) 8.173 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 7.874 13.912 0.574) 15.996 2.616 ( 8.701 13.912 1.310) 16.461 2.636 ( 5.235 10.308 -0.725) 11.584 2.785 ( 1.406 2.250 -1.478) 3.037 3.313 ( 3.050 5.356 0.942) 6.236 3.410 ( 5.605 9.609 -0.336) 11.129 4.223 ( 12.079 21.081 0.318) 24.298 4.654 ( 3.226 5.190 -0.286) 6.117 5.243 ( 3.105 5.071 0.438) 5.962 6.103 ( 11.035 18.796 -0.332) 21.798 7.558 ( 8.272 12.149 0.150) 14.698 7.683 ( -1.796 -0.455 1.120) 2.165 12.316 ( -3.804 -6.542 -0.121) 7.569 13.914 ( -12.466 -17.065 1.275) 21.172 13.965 ( -10.872 -23.545 -2.019) 26.012 16.158 ( 4.172 7.469 0.409) 8.565 18.526 ( -2.279 -5.166 -0.699) 5.690 19.011 ( -4.677 -7.000 0.278) 8.423 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 5.519 9.242 0.438) 10.774 2.800 ( 2.801 8.496 -0.411) 8.955 2.832 ( 2.013 4.861 -0.030) 5.262 2.848 ( 3.916 8.601 0.015) 9.450 3.419 ( 4.617 3.475 0.437) 5.795 3.566 ( 5.027 3.953 -0.257) 6.400 4.557 ( 2.596 19.277 0.288) 19.454 4.826 ( 5.392 14.427 -0.481) 15.410 5.323 ( 6.449 -3.349 0.192) 7.269 6.420 ( 4.352 17.886 -0.390) 18.413 7.633 ( -3.173 7.619 -0.473) 8.267 7.847 ( 15.063 -2.321 1.331) 15.298 12.179 ( -10.549 3.724 -0.133) 11.188 13.490 ( -13.642 -20.615 1.852) 24.789 13.670 ( -1.836 -17.185 -2.367) 17.444 16.327 ( 3.847 12.843 0.347) 13.411 18.369 ( -9.213 -5.730 -1.020) 10.898 18.864 ( 0.911 -15.919 0.864) 15.968 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 1.927 3.210 -0.271) 3.754 2.870 ( 2.082 1.444 0.692) 2.626 2.937 ( -0.662 10.851 -0.313) 10.876 2.964 ( 0.252 8.916 -0.023) 8.919 3.534 ( 5.361 1.605 0.297) 5.604 3.657 ( 4.088 -0.840 -0.226) 4.180 4.726 ( -0.813 14.687 0.117) 14.710 5.001 ( -2.493 12.086 -0.323) 12.345 5.449 ( 9.589 2.028 -0.272) 9.805 6.577 ( -6.010 17.713 -0.329) 18.708 7.690 ( 3.337 3.135 -0.494) 4.605 8.048 ( 13.627 -7.343 1.258) 15.530 12.047 ( -14.072 12.929 -0.020) 19.110 13.105 ( -7.946 -19.791 0.757) 21.340 13.529 ( 2.186 -12.589 -1.406) 12.854 16.528 ( 1.064 18.497 0.159) 18.528 18.131 ( -8.964 -9.054 -0.694) 12.760 18.744 ( 5.583 -19.706 0.871) 20.500 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.000 18.200 0.129) 18.201 2.044 ( -0.000 26.439 1.339) 26.473 2.311 ( -0.000 7.387 -0.177) 7.389 2.737 ( -0.000 5.391 -2.480) 5.934 3.119 ( -0.000 17.096 0.287) 17.098 3.150 ( -0.000 13.526 1.032) 13.565 3.475 ( -0.000 8.359 0.340) 8.366 4.609 ( -0.000 0.671 -0.130) 0.683 5.164 ( -0.000 31.330 1.219) 31.354 5.393 ( -0.000 8.261 0.022) 8.261 7.136 ( -0.000 21.020 0.821) 21.036 7.872 ( 0.000 -0.385 0.937) 1.013 12.321 ( 0.000 -23.237 -0.213) 23.238 14.458 ( 0.000 -19.633 1.630) 19.701 14.855 ( -0.000 -22.222 -3.795) 22.544 15.908 ( -0.000 -0.309 -0.065) 0.316 18.382 ( 0.000 -0.743 1.040) 1.278 19.304 ( -0.000 9.738 -0.903) 9.780 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 6.802 15.059 -0.066) 16.524 2.319 ( 3.963 21.792 0.944) 22.170 2.428 ( 5.041 8.026 -0.271) 9.482 2.768 ( -0.282 3.017 -1.507) 3.384 3.269 ( 0.201 10.179 1.091) 10.239 3.299 ( 1.243 15.770 -0.239) 15.821 3.674 ( 12.829 10.099 0.268) 16.329 4.624 ( -0.381 3.470 0.174) 3.496 5.325 ( -6.307 17.009 0.901) 18.163 5.655 ( 13.050 15.916 0.418) 20.587 7.323 ( 2.591 12.300 1.062) 12.615 7.877 ( -4.051 8.106 -0.338) 9.068 12.157 ( 6.902 -21.651 -0.195) 22.725 14.223 ( -5.701 -19.100 0.747) 19.946 14.504 ( -13.836 -20.761 -1.783) 25.013 15.965 ( 5.969 0.754 -0.086) 6.017 18.411 ( 4.000 -3.038 1.153) 5.153 19.308 ( -7.001 3.780 -1.075) 8.029 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 6.403 12.766 -0.238) 14.284 2.581 ( 8.347 9.417 1.011) 12.625 2.636 ( 6.645 12.937 -0.518) 14.553 2.792 ( 0.321 2.572 -0.730) 2.693 3.354 ( -0.061 7.101 0.492) 7.118 3.457 ( 1.420 11.551 -0.070) 11.639 4.084 ( 21.127 12.942 0.113) 24.776 4.674 ( 0.958 6.371 0.376) 6.453 5.355 ( -5.452 9.279 0.634) 10.781 6.045 ( 14.591 14.584 0.320) 20.632 7.477 ( 5.673 5.273 1.124) 7.826 7.882 ( -7.912 13.239 -1.039) 15.458 12.125 ( 10.647 -16.125 -0.140) 19.323 13.899 ( -9.969 -19.732 -1.737) 22.176 14.046 ( -16.978 -16.653 1.540) 23.832 16.112 ( 8.260 4.466 -0.101) 9.391 18.427 ( 2.997 -7.341 0.933) 7.983 19.147 ( -12.587 -1.572 -1.029) 12.726 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 5.147 9.429 -0.059) 10.743 2.798 ( 6.251 6.822 0.202) 9.255 2.832 ( 2.571 3.462 -0.090) 4.313 2.849 ( 5.865 8.251 -0.202) 10.125 3.420 ( 0.671 5.746 0.118) 5.786 3.565 ( 0.950 6.309 -0.005) 6.380 4.558 ( 15.319 11.879 -0.042) 19.385 4.824 ( 10.033 11.822 0.335) 15.509 5.322 ( -6.061 3.875 0.321) 7.202 6.419 ( 13.424 12.673 0.125) 18.461 7.628 ( 8.147 1.159 0.975) 8.287 7.854 ( -9.698 11.864 -1.099) 15.363 12.179 ( 8.475 -7.281 -0.064) 11.173 13.502 ( -11.457 -22.444 -1.866) 25.268 13.657 ( -13.404 -9.932 1.954) 16.797 16.328 ( 9.125 9.767 -0.052) 13.367 18.364 ( -0.099 -10.920 0.572) 10.935 18.868 ( -14.504 -7.050 -0.683) 16.141 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 1.796 3.110 -0.000) 3.592 2.859 ( 1.077 1.865 0.000) 2.154 3.005 ( 5.175 8.964 -0.000) 10.350 3.013 ( 4.654 8.060 -0.000) 9.307 3.490 ( 2.009 3.480 -0.000) 4.018 3.612 ( 0.542 0.938 -0.000) 1.084 4.772 ( 3.959 6.856 -0.000) 7.917 5.234 ( -2.231 -3.864 -0.000) 4.461 5.265 ( 13.649 23.641 -0.000) 27.298 6.727 ( 7.478 12.952 -0.000) 14.956 7.761 ( 1.597 2.766 0.000) 3.194 7.796 ( -0.128 -0.221 -0.000) 0.255 12.246 ( 1.674 2.900 -0.000) 3.348 13.097 ( -11.233 -19.456 -0.000) 22.465 13.416 ( -4.715 -8.167 -0.000) 9.431 16.607 ( 8.992 15.574 -0.000) 17.984 18.210 ( -6.106 -10.575 -0.000) 12.211 18.551 ( -8.682 -15.038 -0.000) 17.364 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.000 12.803 0.059) 12.803 2.446 ( -0.000 6.444 -0.120) 6.445 2.509 ( -0.000 20.302 -0.148) 20.302 2.797 ( -0.000 2.588 -0.611) 2.659 3.363 ( -0.000 8.595 0.412) 8.605 3.442 ( -0.000 14.629 0.076) 14.629 3.645 ( -0.000 8.724 0.327) 8.730 4.676 ( -0.000 6.198 0.561) 6.223 5.545 ( -0.000 7.108 0.028) 7.108 5.665 ( -0.000 17.518 1.543) 17.586 7.404 ( 0.000 8.623 0.968) 8.677 8.030 ( -0.000 14.891 -1.268) 14.945 11.869 ( 0.000 -22.316 -0.198) 22.317 14.095 ( 0.000 -17.802 0.885) 17.824 14.422 ( 0.000 -20.458 -1.379) 20.504 15.904 ( -0.000 -0.133 -0.068) 0.149 18.365 ( 0.000 -1.476 1.364) 2.010 19.392 ( -0.000 0.768 -1.243) 1.461 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 6.321 9.500 0.180) 11.412 2.546 ( 4.524 6.353 -0.152) 7.801 2.701 ( 2.056 14.480 -0.642) 14.639 2.818 ( -0.283 2.547 0.029) 2.563 3.435 ( -0.671 7.397 0.110) 7.428 3.566 ( -0.541 11.295 0.147) 11.308 3.866 ( 15.207 9.165 0.215) 17.757 4.745 ( -0.426 8.485 0.836) 8.537 5.539 ( -5.992 6.573 0.376) 8.902 5.921 ( 12.440 7.986 0.850) 14.807 7.499 ( 0.795 9.006 0.735) 9.071 8.137 ( -5.015 15.431 -1.537) 16.298 11.751 ( 10.254 -19.274 -0.149) 21.832 13.867 ( -7.186 -17.222 -0.145) 18.662 14.132 ( -10.776 -16.460 0.416) 19.678 15.984 ( 8.714 1.228 -0.170) 8.802 18.351 ( -0.072 -3.554 1.176) 3.744 19.314 ( -8.126 -1.781 -1.259) 8.414 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 7.129 6.524 -0.284) 9.668 2.719 ( 8.910 6.593 0.338) 11.090 2.841 ( 0.784 3.203 1.168) 3.498 2.844 ( 1.836 6.340 -1.540) 6.777 3.491 ( -1.033 7.013 -0.114) 7.089 3.641 ( -1.438 7.240 0.200) 7.384 4.299 ( 23.727 8.846 -0.023) 25.322 4.835 ( 1.096 9.078 0.873) 9.185 5.486 ( -6.390 4.432 0.244) 7.780 6.233 ( 17.231 4.230 0.466) 17.749 7.604 ( 1.115 8.453 0.602) 8.547 8.146 ( -9.751 12.508 -1.488) 15.929 11.830 ( 17.415 -13.444 -0.077) 22.000 13.512 ( -13.448 -18.015 -1.193) 22.513 13.803 ( -12.575 -9.601 1.905) 15.935 16.206 ( 13.532 5.045 -0.236) 14.444 18.279 ( -2.271 -7.808 0.929) 8.185 19.087 ( -15.061 -3.549 -1.125) 15.514 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 0.000 6.081 0.695) 6.120 2.567 ( -0.000 6.487 -0.718) 6.527 2.811 ( -0.000 10.545 -0.991) 10.591 2.845 ( 0.000 2.426 0.438) 2.465 3.513 ( -0.000 7.285 -0.047) 7.285 3.680 ( -0.000 9.595 0.229) 9.598 3.806 ( -0.000 7.294 0.276) 7.299 4.847 ( 0.000 10.566 1.077) 10.620 5.666 ( -0.000 5.125 0.002) 5.125 5.825 ( 0.000 -0.931 0.924) 1.312 7.603 ( -0.000 12.034 0.564) 12.047 8.323 ( -0.000 13.819 -1.715) 13.925 11.472 ( 0.000 -17.689 -0.104) 17.689 13.781 ( 0.000 -14.179 0.578) 14.190 14.068 ( 0.000 -15.120 0.159) 15.121 15.902 ( -0.000 0.009 -0.074) 0.074 18.337 ( 0.000 -1.814 0.914) 2.031 19.361 ( -0.000 -2.597 -1.221) 2.870 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.927 3.680 0.713) 7.013 2.670 ( 4.990 5.596 -0.705) 7.531 2.866 ( -0.134 2.208 1.070) 2.458 2.889 ( -0.043 5.506 -1.476) 5.701 3.576 ( -0.825 6.832 -0.161) 6.884 3.738 ( -1.873 6.292 0.271) 6.571 4.021 ( 16.196 6.387 0.150) 17.410 4.942 ( -1.578 10.589 1.078) 10.760 5.613 ( -5.954 0.842 0.089) 6.014 5.963 ( 14.948 -2.090 0.390) 15.098 7.714 ( -1.077 11.458 0.555) 11.522 8.391 ( -5.682 10.499 -1.714) 12.061 11.426 ( 12.548 -13.369 -0.060) 18.335 13.570 ( -9.988 -12.558 0.226) 16.048 13.875 ( -6.811 -10.100 0.953) 12.219 16.008 ( 11.586 1.148 -0.118) 11.644 18.288 ( -3.723 -3.049 0.609) 4.851 19.259 ( -8.560 -2.807 -1.084) 9.074 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.000 2.347 0.751) 2.464 2.670 ( -0.000 3.816 -0.728) 3.885 2.888 ( 0.000 1.604 1.031) 1.907 2.931 ( -0.000 3.080 -1.352) 3.363 3.644 ( -0.000 5.500 -0.177) 5.503 3.818 ( -0.000 4.551 0.236) 4.557 3.920 ( -0.000 4.033 0.227) 4.040 5.074 ( -0.000 11.496 1.083) 11.546 5.703 ( 0.000 -9.745 0.185) 9.746 5.743 ( -0.000 2.734 -0.037) 2.734 7.832 ( -0.000 9.504 0.634) 9.525 8.524 ( -0.000 7.225 -1.806) 7.448 11.199 ( 0.000 -9.792 0.003) 9.792 13.565 ( 0.000 -7.745 0.889) 7.795 13.842 ( 0.000 -8.122 0.633) 8.147 15.903 ( -0.000 0.054 -0.078) 0.094 18.307 ( 0.000 -1.355 0.285) 1.385 19.306 ( -0.000 -2.104 -0.970) 2.317 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( 0.000 -0.000 5.150) 5.150 0.228 ( 0.000 -0.000 5.150) 5.150 0.473 ( 0.000 -0.000 20.484) 20.484 1.893 ( -0.000 0.000 -0.827) 0.827 1.893 ( -0.000 0.000 -0.827) 0.827 3.111 ( 0.000 -0.000 0.161) 0.161 3.111 ( 0.000 -0.000 0.161) 0.161 3.152 ( -0.000 0.000 -4.617) 4.617 4.949 ( -0.000 0.000 -0.049) 0.049 4.949 ( -0.000 0.000 -0.049) 0.049 5.235 ( -0.000 0.000 -0.031) 0.031 8.429 ( 0.000 -0.000 6.180) 6.180 13.423 ( 0.000 -0.000 0.189) 0.189 13.423 ( 0.000 -0.000 0.189) 0.189 15.933 ( -0.000 0.000 -0.118) 0.118 15.933 ( -0.000 0.000 -0.118) 0.118 16.877 ( 0.000 -0.000 11.087) 11.087 19.232 ( -0.000 0.000 -11.943) 11.943 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 8.301 4.793 15.558) 18.274 0.608 ( 22.995 13.276 2.390) 26.660 0.994 ( 39.283 22.680 0.586) 45.364 1.932 ( 3.339 1.928 -0.835) 3.945 2.069 ( 13.910 8.031 0.265) 16.064 3.015 ( -4.926 -2.844 -3.510) 6.684 3.135 ( 2.102 1.214 0.222) 2.437 3.416 ( 18.545 10.707 -4.295) 21.840 4.843 ( -5.636 -3.254 -0.054) 6.508 4.989 ( 3.337 1.927 -0.197) 3.858 5.476 ( 18.191 10.503 3.366) 21.273 8.327 ( -7.394 -4.269 5.067) 9.928 13.341 ( -7.176 -4.143 0.221) 8.289 14.667 ( 59.604 34.413 -29.848) 75.019 15.796 ( -11.846 -6.839 -0.533) 13.689 15.931 ( -0.213 -0.123 -0.102) 0.266 17.196 ( 29.675 17.133 3.929) 34.490 18.953 ( -15.022 -8.673 -4.318) 17.875 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 21.207 12.244 7.850) 25.715 1.133 ( 22.636 13.069 1.658) 26.190 1.825 ( 33.429 19.300 -0.745) 38.607 2.033 ( 5.608 3.238 -0.831) 6.529 2.441 ( 17.524 10.118 1.799) 20.315 2.921 ( -2.407 -1.390 -3.164) 4.212 3.206 ( 4.158 2.401 0.335) 4.813 3.902 ( 25.010 14.440 -3.626) 29.106 4.734 ( -4.042 -2.334 -0.259) 4.674 5.093 ( 5.786 3.341 -0.413) 6.694 5.995 ( 25.912 14.960 3.385) 30.112 8.153 ( -8.703 -5.025 4.116) 10.860 13.107 ( -13.404 -7.739 0.237) 15.480 15.228 ( 1.306 0.754 -10.769) 10.874 15.451 ( -16.640 -9.607 0.094) 19.215 15.924 ( -0.357 -0.206 -0.071) 0.418 18.026 ( 32.548 18.792 -1.231) 37.603 18.764 ( 1.317 0.760 -5.403) 5.612 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 24.657 14.236 4.291) 28.793 1.619 ( 19.902 11.491 1.346) 23.021 2.171 ( 6.552 3.783 -0.802) 7.609 2.462 ( 22.158 12.793 -1.961) 25.661 2.826 ( 15.694 9.061 2.185) 18.253 2.913 ( 3.161 1.825 -2.100) 4.211 3.322 ( 5.986 3.456 0.429) 6.925 4.492 ( 23.052 13.309 -0.655) 26.626 4.685 ( 3.951 2.281 -2.010) 4.986 5.239 ( 7.052 4.072 -0.580) 8.164 6.603 ( 26.445 15.268 1.952) 30.598 7.964 ( -8.227 -4.750 3.986) 10.302 12.750 ( -17.951 -10.364 0.232) 20.729 14.950 ( -18.332 -10.584 -6.203) 22.058 15.134 ( -14.116 -8.150 3.649) 16.704 15.915 ( -0.381 -0.220 -0.032) 0.441 18.388 ( 4.004 2.312 -0.402) 4.641 19.020 ( 16.531 9.544 -3.519) 19.410 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 15.907 9.184 1.066) 18.398 2.027 ( 22.874 13.206 2.827) 26.564 2.317 ( 6.359 3.671 -0.741) 7.380 2.745 ( 4.984 2.878 -3.023) 6.501 3.124 ( 14.220 8.210 -0.005) 16.420 3.145 ( 12.100 6.986 1.385) 14.040 3.474 ( 7.324 4.228 0.414) 8.467 4.611 ( 1.288 0.744 -0.459) 1.557 5.193 ( 26.684 15.406 -1.611) 30.854 5.399 ( 7.067 4.080 -0.597) 8.182 7.136 ( 18.852 10.884 0.734) 21.781 7.846 ( -0.939 -0.542 3.585) 3.746 12.317 ( -20.096 -11.603 0.200) 23.206 14.518 ( -18.372 -10.607 -4.677) 21.724 14.782 ( -17.207 -9.934 3.751) 20.219 15.908 ( -0.282 -0.163 0.010) 0.326 18.411 ( -0.403 -0.232 -1.782) 1.841 19.294 ( 7.490 4.324 0.006) 8.649 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 11.300 6.524 0.743) 13.069 2.449 ( 5.423 3.131 -0.598) 6.290 2.493 ( 17.506 10.107 2.240) 20.338 2.809 ( 2.269 1.310 -2.346) 3.517 3.357 ( 7.615 4.396 1.383) 8.901 3.446 ( 12.609 7.280 -0.551) 14.570 3.646 ( 7.635 4.408 0.241) 8.820 4.686 ( 5.614 3.241 -1.066) 6.570 5.548 ( 6.059 3.498 -0.435) 7.010 5.679 ( 14.917 8.612 -0.704) 17.239 7.408 ( 7.470 4.313 0.349) 8.632 8.006 ( 13.035 7.526 2.468) 15.253 11.867 ( -19.285 -11.134 0.142) 22.269 14.118 ( -16.170 -9.336 -3.051) 18.919 14.401 ( -16.570 -9.567 2.122) 19.251 15.903 ( -0.123 -0.071 0.045) 0.149 18.383 ( -1.563 -0.902 -1.528) 2.365 19.378 ( 0.551 0.318 1.005) 1.190 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 5.583 3.223 -0.378) 6.458 2.564 ( 5.319 3.071 0.410) 6.155 2.802 ( 9.251 5.341 1.955) 10.860 2.852 ( 1.958 1.130 -1.661) 2.805 3.512 ( 6.402 3.696 0.525) 7.411 3.682 ( 8.285 4.783 -0.375) 9.573 3.807 ( 6.354 3.668 -0.031) 7.337 4.854 ( 9.164 5.291 -1.226) 10.653 5.666 ( 4.390 2.535 -0.172) 5.072 5.829 ( -0.929 -0.537 -0.247) 1.101 7.605 ( 10.498 6.061 -0.205) 12.124 8.312 ( 12.002 6.929 1.887) 13.986 11.472 ( -15.294 -8.830 0.067) 17.660 13.788 ( -12.472 -7.201 -1.562) 14.486 14.068 ( -12.755 -7.364 0.313) 14.731 15.902 ( 0.006 0.003 0.068) 0.069 18.342 ( -1.752 -1.012 -0.856) 2.197 19.354 ( -2.206 -1.274 1.121) 2.783 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 9.198 14.150) 16.877 0.632 ( -0.000 26.513 1.286) 26.544 0.981 ( -0.000 45.634 0.982) 45.645 1.927 ( -0.000 3.692 -0.621) 3.744 2.073 ( -0.000 16.368 0.083) 16.368 3.007 ( -0.000 -5.764 -3.424) 6.704 3.137 ( -0.000 2.507 0.133) 2.511 3.403 ( -0.000 20.656 -3.478) 20.947 4.837 ( 0.000 -6.849 0.385) 6.860 4.984 ( -0.000 3.603 0.042) 3.604 5.501 ( -0.000 22.428 1.877) 22.507 8.337 ( 0.000 -8.598 4.669) 9.784 13.344 ( 0.000 -8.151 0.077) 8.151 14.612 ( -0.000 67.480 -24.935) 71.940 15.826 ( -0.000 -9.085 -2.715) 9.482 15.931 ( -0.000 -0.237 -0.098) 0.256 17.201 ( 0.000 33.401 3.924) 33.631 18.917 ( -0.000 -20.310 -2.703) 20.489 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 9.918 18.372 8.381) 22.498 1.036 ( 13.324 24.648 1.228) 28.045 1.601 ( 20.514 34.836 -0.298) 40.429 2.000 ( 3.311 5.300 -0.617) 6.280 2.337 ( 9.783 17.276 1.252) 19.893 2.928 ( -1.909 -3.543 -3.118) 5.091 3.195 ( 2.605 4.718 0.224) 5.394 3.733 ( 13.418 22.155 -3.160) 26.094 4.750 ( -2.535 -5.027 0.166) 5.632 5.072 ( 3.969 6.177 -0.208) 7.345 5.852 ( 12.811 24.379 2.565) 27.659 8.213 ( -4.940 -8.337 3.630) 10.348 13.200 ( -6.220 -10.423 0.117) 12.139 15.122 ( 8.759 9.168 -9.767) 16.005 15.566 ( -13.992 -14.304 -3.800) 20.367 15.959 ( 0.580 1.765 -0.594) 1.951 17.839 ( 23.591 43.681 -3.045) 49.738 18.713 ( -1.964 -10.694 -1.404) 10.963 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 18.238 20.541 4.568) 27.846 1.505 ( 14.204 21.916 1.049) 26.137 2.128 ( 4.782 6.647 -0.635) 8.213 2.245 ( 21.007 22.172 -1.298) 30.571 2.693 ( 12.764 13.976 1.869) 19.020 2.888 ( 0.577 -0.149 -2.391) 2.464 3.313 ( 3.639 8.466 0.347) 9.222 4.245 ( 21.750 20.980 -1.722) 30.269 4.669 ( -1.644 -3.526 -0.523) 3.926 5.220 ( 4.549 9.311 -0.477) 10.373 6.376 ( 20.509 21.845 1.979) 30.029 8.038 ( -6.755 -7.814 3.276) 10.836 12.935 ( -13.229 -9.917 0.175) 16.534 15.096 ( -9.188 -10.315 -5.484) 14.862 15.143 ( -10.293 -21.018 1.564) 23.455 15.962 ( -1.977 2.284 0.315) 3.037 18.449 ( 0.846 19.104 0.765) 19.138 18.765 ( 19.327 4.031 -4.768) 20.311 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 20.183 18.517 2.735) 27.526 1.929 ( 12.178 18.262 0.897) 21.968 2.279 ( 4.819 7.423 -0.600) 8.870 2.662 ( 9.345 7.134 -2.360) 11.991 2.991 ( 10.098 8.120 -0.584) 12.971 3.024 ( 11.520 9.478 1.444) 14.988 3.479 ( 3.532 12.669 0.392) 13.158 4.599 ( 0.369 -0.217 0.263) 0.502 4.864 ( 25.320 14.149 -1.926) 29.069 5.405 ( 4.788 13.063 -0.672) 13.929 6.930 ( 20.545 17.024 0.884) 26.697 7.870 ( -4.621 -6.018 3.019) 8.166 12.571 ( -19.096 -7.871 0.185) 20.655 14.668 ( -16.291 -16.357 -4.630) 23.545 14.843 ( -8.322 -20.791 3.426) 22.655 15.954 ( -2.057 3.383 0.435) 3.983 18.479 ( -5.022 5.811 -1.569) 7.839 19.133 ( 14.552 2.731 -0.536) 14.815 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 9.935 13.390 0.760) 16.690 2.315 ( 16.695 14.938 1.683) 22.465 2.428 ( 4.143 7.947 -0.335) 8.968 2.772 ( 2.937 1.301 -2.026) 3.797 3.267 ( 8.670 5.354 1.384) 10.284 3.302 ( 13.049 8.862 -0.610) 15.785 3.674 ( 2.437 16.120 0.297) 16.306 4.629 ( 3.515 1.551 -0.715) 3.908 5.334 ( 17.595 2.660 -0.581) 17.805 5.663 ( 7.568 19.264 -0.907) 20.717 7.329 ( 9.562 8.611 0.043) 12.868 7.859 ( 8.647 0.476 2.619) 9.048 12.155 ( -22.208 -4.797 0.156) 22.721 14.244 ( -14.230 -15.865 -2.719) 21.484 14.481 ( -10.314 -20.539 1.986) 23.069 15.962 ( -2.254 5.430 0.338) 5.889 18.430 ( -4.616 1.788 -1.830) 5.278 19.296 ( 6.542 -4.328 0.943) 7.901 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 5.396 10.303 0.283) 11.634 2.547 ( 2.870 7.054 -0.304) 7.622 2.694 ( 11.498 9.057 1.748) 14.741 2.822 ( 2.360 0.985 -1.424) 2.927 3.434 ( 6.796 3.163 0.594) 7.519 3.568 ( 10.051 5.164 -0.386) 11.306 3.866 ( 0.400 17.724 0.063) 17.729 4.751 ( 7.651 3.887 -1.080) 8.650 5.540 ( 8.612 -1.932 -0.149) 8.827 5.925 ( 0.667 14.646 -0.721) 14.679 7.502 ( 7.389 5.213 -0.212) 9.046 8.127 ( 15.889 3.434 1.918) 16.369 11.750 ( -21.807 -0.736 0.109) 21.820 13.870 ( -11.318 -15.461 -0.901) 19.182 14.133 ( -8.743 -16.811 -0.003) 18.949 15.983 ( -3.241 8.113 0.227) 8.739 18.358 ( -3.198 -1.932 -1.278) 3.949 19.307 ( 2.531 -7.911 1.223) 8.396 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 23.636 5.767) 24.329 1.154 ( -0.000 25.993 0.299) 25.994 1.818 ( -0.000 38.784 -0.374) 38.786 2.025 ( -0.000 6.391 -0.332) 6.400 2.450 ( -0.000 20.404 1.241) 20.441 2.907 ( -0.000 -2.798 -2.687) 3.879 3.209 ( -0.000 4.841 0.126) 4.842 3.878 ( -0.000 28.968 -1.876) 29.029 4.725 ( 0.000 -5.013 0.426) 5.031 5.085 ( -0.000 6.545 0.136) 6.546 6.028 ( -0.000 29.532 1.168) 29.555 8.170 ( 0.000 -9.783 2.952) 10.219 13.112 ( 0.000 -15.409 -0.082) 15.410 15.101 ( -0.000 -2.854 -1.102) 3.059 15.590 ( -0.000 -12.584 -9.913) 16.019 15.924 ( -0.000 -0.395 -0.071) 0.401 18.064 ( -0.000 41.778 -5.224) 42.103 18.655 ( 0.000 -2.570 3.160) 4.073 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 8.062 26.041 3.354) 27.466 1.513 ( 11.290 23.378 0.263) 25.963 2.125 ( 3.588 7.370 -0.290) 8.202 2.242 ( 8.713 29.297 -1.081) 30.585 2.698 ( 5.622 18.107 1.464) 19.016 2.881 ( -0.208 0.346 -1.901) 1.943 3.315 ( 5.442 7.439 0.165) 9.218 4.237 ( 7.833 29.638 -0.911) 30.669 4.662 ( -1.813 -3.908 0.173) 4.312 5.216 ( 6.087 8.433 0.001) 10.400 6.387 ( 7.911 28.609 0.916) 29.697 8.047 ( -3.626 -9.475 2.366) 10.418 12.937 ( -2.155 -16.336 -0.054) 16.477 14.991 ( -2.095 -16.927 3.566) 17.425 15.256 ( -16.916 -15.037 -8.233) 24.085 15.966 ( 2.869 -0.487 -0.070) 2.911 18.483 ( 15.664 6.059 -3.257) 17.108 18.706 ( -3.883 22.872 1.696) 23.261 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 13.525 23.772 1.967) 27.420 1.930 ( 11.590 20.381 0.383) 23.449 2.277 ( 4.966 8.466 -0.325) 9.820 2.603 ( 7.376 12.815 -1.746) 14.889 2.944 ( 5.134 8.668 -0.331) 10.080 2.970 ( 7.384 12.864 0.940) 14.862 3.529 ( 7.520 13.142 0.244) 15.143 4.603 ( -1.252 -1.007 0.557) 1.700 4.687 ( 13.890 22.096 -1.079) 26.122 5.435 ( 7.530 12.738 -0.275) 14.800 6.831 ( 13.449 23.483 0.599) 27.068 7.888 ( -4.962 -8.165 1.896) 9.740 12.715 ( -7.425 -12.728 0.024) 14.735 14.707 ( -9.507 -23.090 1.905) 25.043 14.805 ( -14.039 -17.184 -3.621) 22.483 15.998 ( 0.759 1.580 0.392) 1.796 18.601 ( 0.376 -0.187 -0.724) 0.837 18.964 ( 7.214 12.551 -0.395) 14.482 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 13.853 17.917 1.070) 22.673 2.293 ( 9.285 18.068 0.479) 20.320 2.445 ( 4.456 9.464 -0.241) 10.463 2.737 ( 2.711 2.613 -1.368) 4.006 3.192 ( 7.873 8.602 1.231) 11.725 3.199 ( 9.236 10.345 -0.667) 13.884 3.808 ( 5.454 20.105 0.282) 20.833 4.598 ( 1.458 0.909 -0.279) 1.741 5.100 ( 14.729 9.874 -0.355) 17.736 5.723 ( 8.389 18.948 -0.498) 20.728 7.261 ( 12.255 16.457 -0.018) 20.519 7.763 ( -0.258 -5.559 1.698) 5.819 12.438 ( -14.310 -6.194 0.058) 15.593 14.290 ( -12.731 -20.116 -0.998) 23.827 14.416 ( -9.532 -23.037 0.302) 24.933 16.038 ( 0.309 5.044 0.459) 5.074 18.555 ( -6.121 1.784 -1.382) 6.524 19.122 ( 6.644 -3.640 0.692) 7.607 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 7.771 11.981 0.526) 14.290 2.586 ( 3.804 11.893 -0.850) 12.515 2.630 ( 8.001 12.294 1.320) 14.727 2.792 ( 2.160 1.551 -0.824) 2.784 3.354 ( 6.147 3.503 0.413) 7.088 3.458 ( 9.328 6.987 -0.262) 11.657 4.084 ( 0.673 24.741 0.198) 24.751 4.677 ( 5.195 4.010 -0.675) 6.597 5.358 ( 10.759 -0.163 -0.227) 10.762 6.047 ( 5.444 19.836 -0.583) 20.578 7.483 ( 1.663 7.587 -0.597) 7.790 7.874 ( 15.315 -0.191 1.731) 15.414 12.124 ( -19.300 1.185 0.063) 19.337 13.891 ( -12.120 -19.451 0.994) 22.939 14.055 ( -5.792 -22.020 -1.534) 22.820 16.110 ( -0.293 9.411 0.386) 9.423 18.434 ( -7.785 -1.211 -1.388) 8.000 19.141 ( 4.824 -11.626 1.156) 12.640 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -0.000 27.995 1.686) 28.046 1.634 ( -0.000 22.837 -0.130) 22.837 2.163 ( -0.000 7.547 -0.042) 7.547 2.453 ( -0.000 25.261 -1.290) 25.294 2.838 ( -0.000 18.126 1.218) 18.167 2.897 ( -0.000 3.991 -1.058) 4.128 3.325 ( -0.000 6.900 0.116) 6.901 4.495 ( -0.000 32.106 -0.778) 32.115 4.651 ( 0.000 -0.992 1.271) 1.612 5.231 ( -0.000 8.126 0.218) 8.129 6.620 ( -0.000 29.815 0.244) 29.816 7.989 ( 0.000 -9.102 1.425) 9.213 12.755 ( 0.000 -20.723 -0.209) 20.724 14.849 ( 0.000 -18.996 3.974) 19.408 15.249 ( -0.000 -18.478 -7.823) 20.066 15.915 ( -0.000 -0.420 -0.055) 0.423 18.384 ( -0.000 1.646 -0.350) 1.683 18.980 ( -0.000 23.255 0.695) 23.265 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 5.669 26.665 0.746) 27.271 1.936 ( 9.505 19.629 -0.139) 21.809 2.275 ( 4.138 7.889 -0.014) 8.909 2.655 ( 1.439 11.373 -1.328) 11.540 2.987 ( 2.147 12.968 0.128) 13.145 3.029 ( 2.408 14.797 0.573) 15.003 3.481 ( 9.236 9.387 0.072) 13.169 4.604 ( -0.660 -0.990 -0.368) 1.246 4.844 ( 0.398 30.079 1.196) 30.106 5.399 ( 8.968 10.576 0.203) 13.868 6.934 ( 4.295 25.909 0.219) 26.264 7.885 ( -3.109 -6.652 0.554) 7.364 12.573 ( 2.649 -20.464 -0.178) 20.635 14.619 ( -5.194 -20.893 3.260) 21.774 14.895 ( -15.292 -19.132 -5.011) 25.000 15.958 ( 4.114 -0.090 -0.098) 4.116 18.464 ( 7.674 -2.158 0.809) 8.013 19.132 ( -4.503 15.077 -0.414) 15.741 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 8.437 20.979 0.164) 22.613 2.294 ( 10.940 17.050 0.143) 20.259 2.445 ( 6.003 8.648 -0.119) 10.528 2.734 ( 0.954 3.614 -0.556) 3.779 3.194 ( 3.748 11.749 1.048) 12.377 3.198 ( 4.124 12.536 -0.708) 13.216 3.808 ( 14.661 14.795 0.012) 20.828 4.597 ( 0.090 1.589 0.066) 1.593 5.098 ( 1.450 17.696 0.488) 17.762 5.722 ( 12.340 16.654 0.140) 20.728 7.260 ( 8.141 18.620 0.343) 20.325 7.769 ( -4.934 -2.708 -0.125) 5.629 12.438 ( 1.743 -15.480 -0.090) 15.578 14.284 ( -10.195 -20.633 0.927) 23.033 14.421 ( -16.116 -20.269 -1.349) 25.930 16.040 ( 4.141 2.833 -0.060) 5.018 18.549 ( 4.960 -4.615 0.707) 6.812 19.126 ( -6.650 4.160 -0.631) 7.869 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 7.955 13.779 -0.000) 15.910 2.620 ( 8.516 14.751 -0.000) 17.033 2.633 ( 5.476 9.484 -0.000) 10.952 2.780 ( 1.359 2.354 -0.000) 2.718 3.316 ( 3.044 5.272 -0.000) 6.088 3.409 ( 5.570 9.648 -0.000) 11.141 4.224 ( 12.148 21.041 -0.000) 24.296 4.653 ( 3.055 5.291 -0.000) 6.110 5.244 ( 2.989 5.176 -0.000) 5.977 6.102 ( 10.903 18.884 -0.000) 21.806 7.558 ( 7.337 12.708 -0.000) 14.673 7.686 ( -0.707 -1.224 -0.000) 1.414 12.316 ( -3.793 -6.570 -0.000) 7.586 13.919 ( -10.047 -17.402 -0.000) 20.094 13.958 ( -13.341 -23.106 0.000) 26.681 16.159 ( 4.272 7.399 -0.000) 8.543 18.524 ( -2.795 -4.842 -0.000) 5.591 19.012 ( -4.197 -7.270 -0.000) 8.394 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 18.244 -0.359) 18.247 2.047 ( -0.000 26.271 -0.259) 26.272 2.311 ( -0.000 7.367 0.188) 7.369 2.728 ( -0.000 5.568 -0.521) 5.593 3.121 ( -0.000 17.185 0.290) 17.187 3.153 ( -0.000 13.364 0.137) 13.365 3.476 ( -0.000 8.406 0.088) 8.406 4.609 ( -0.000 0.867 0.051) 0.868 5.173 ( -0.000 31.355 1.616) 31.397 5.394 ( -0.000 8.218 0.265) 8.222 7.139 ( -0.000 21.265 0.287) 21.267 7.873 ( -0.000 -0.830 -0.727) 1.104 12.319 ( 0.000 -23.234 -0.246) 23.235 14.472 ( 0.000 -20.190 2.972) 20.407 14.831 ( -0.000 -21.249 -4.259) 21.672 15.908 ( -0.000 -0.312 -0.054) 0.316 18.390 ( 0.000 -0.621 1.592) 1.708 19.299 ( -0.000 9.509 -0.735) 9.537 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 6.710 15.154 -0.456) 16.579 2.321 ( 4.264 21.793 -0.409) 22.210 2.427 ( 4.932 7.825 -0.000) 9.250 2.765 ( -0.298 3.173 0.343) 3.206 3.272 ( 0.232 10.006 -0.258) 10.012 3.299 ( 1.207 15.879 0.292) 15.928 3.675 ( 12.788 10.138 -0.015) 16.319 4.626 ( -0.400 3.629 0.473) 3.681 5.330 ( -6.371 16.822 0.800) 18.005 5.658 ( 12.955 16.095 0.722) 20.673 7.328 ( 2.615 12.479 0.533) 12.761 7.871 ( -3.983 7.761 -1.583) 8.866 12.156 ( 6.922 -21.645 -0.190) 22.726 14.230 ( -6.108 -19.696 1.805) 20.701 14.493 ( -13.297 -19.909 -1.969) 24.022 15.964 ( 5.940 0.748 -0.231) 5.991 18.420 ( 3.897 -3.040 1.623) 5.202 19.302 ( -6.989 3.664 -1.097) 7.967 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -0.000 12.937 -0.388) 12.943 2.447 ( -0.000 6.334 0.277) 6.340 2.504 ( -0.000 20.214 -1.411) 20.263 2.798 ( 0.000 2.676 1.077) 2.885 3.363 ( -0.000 8.624 -0.591) 8.644 3.444 ( -0.000 14.610 0.385) 14.615 3.646 ( -0.000 8.769 0.046) 8.769 4.680 ( 0.000 6.345 0.869) 6.404 5.546 ( -0.000 7.053 0.251) 7.058 5.673 ( -0.000 17.436 1.225) 17.479 7.408 ( -0.000 8.609 0.332) 8.615 8.020 ( -0.000 14.860 -2.023) 14.997 11.868 ( 0.000 -22.294 -0.184) 22.295 14.103 ( 0.000 -18.241 2.043) 18.355 14.412 ( 0.000 -19.755 -1.807) 19.837 15.903 ( -0.000 -0.136 -0.061) 0.149 18.374 ( 0.000 -1.619 1.571) 2.256 19.384 ( -0.000 0.715 -1.221) 1.415 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 0.000 -0.000 3.569) 3.569 0.254 ( 0.000 -0.000 3.569) 3.569 0.581 ( 0.000 -0.000 15.873) 15.873 1.889 ( -0.000 0.000 -0.637) 0.637 1.889 ( -0.000 0.000 -0.637) 0.637 3.112 ( 0.000 -0.000 0.123) 0.123 3.112 ( 0.000 -0.000 0.123) 0.123 3.125 ( -0.000 0.000 -4.551) 4.551 4.949 ( -0.000 0.000 -0.038) 0.038 4.949 ( -0.000 0.000 -0.038) 0.038 5.236 ( 0.000 -0.000 0.280) 0.280 8.462 ( 0.000 -0.000 4.664) 4.664 13.424 ( 0.000 -0.000 0.145) 0.145 13.424 ( 0.000 -0.000 0.145) 0.145 15.933 ( -0.000 0.000 -0.091) 0.091 15.933 ( -0.000 0.000 -0.091) 0.091 16.937 ( 0.000 -0.000 9.045) 9.045 19.167 ( -0.000 0.000 -9.689) 9.689 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 22.707 13.110 2.016) 26.298 0.645 ( 6.686 3.860 11.835) 14.131 0.996 ( 38.926 22.474 -0.013) 44.948 1.927 ( 3.322 1.918 -0.656) 3.891 2.071 ( 14.341 8.280 0.291) 16.562 2.995 ( -4.900 -2.829 -3.111) 6.457 3.136 ( 2.129 1.229 0.185) 2.465 3.395 ( 18.116 10.459 -2.873) 21.115 4.843 ( -5.631 -3.251 -0.015) 6.502 4.988 ( 3.284 1.896 -0.230) 3.799 5.493 ( 18.762 10.832 2.512) 21.810 8.353 ( -7.716 -4.455 3.668) 9.636 13.342 ( -7.165 -4.136 0.207) 8.275 14.531 ( 59.424 34.309 -17.000) 70.692 15.794 ( -11.878 -6.858 0.013) 13.716 15.930 ( -0.209 -0.121 -0.070) 0.251 17.220 ( 26.688 15.408 3.556) 31.021 18.925 ( -13.934 -8.045 -4.697) 16.761 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 20.063 11.584 5.891) 23.905 1.143 ( 22.555 13.022 1.423) 26.083 1.821 ( 33.214 19.176 -0.682) 38.358 2.029 ( 5.598 3.232 -0.652) 6.496 2.450 ( 17.764 10.256 1.320) 20.554 2.904 ( -2.297 -1.326 -2.532) 3.667 3.208 ( 4.188 2.418 0.262) 4.843 3.884 ( 25.321 14.619 -2.519) 29.347 4.732 ( -4.182 -2.415 -0.254) 4.836 5.091 ( 5.738 3.313 -0.434) 6.639 6.013 ( 25.693 14.834 2.662) 29.787 8.173 ( -8.671 -5.006 2.713) 10.374 13.108 ( -13.401 -7.737 0.251) 15.476 15.172 ( 2.942 1.699 -8.315) 8.982 15.461 ( -15.517 -8.959 3.205) 18.202 15.924 ( -0.350 -0.202 -0.039) 0.406 18.023 ( 33.453 19.314 0.176) 38.629 18.731 ( 0.490 0.283 -5.525) 5.554 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 24.237 13.993 3.002) 28.147 1.626 ( 19.846 11.458 1.094) 22.943 2.167 ( 6.550 3.782 -0.608) 7.587 2.452 ( 21.788 12.579 -1.140) 25.185 2.837 ( 15.734 9.084 1.451) 18.226 2.902 ( 3.529 2.037 -1.668) 4.403 3.324 ( 6.001 3.465 0.281) 6.935 4.490 ( 24.764 14.297 0.001) 28.595 4.672 ( 2.369 1.368 -2.125) 3.464 5.236 ( 7.032 4.060 -0.536) 8.137 6.613 ( 26.130 15.086 1.424) 30.206 7.983 ( -8.145 -4.703 2.448) 9.718 12.752 ( -17.957 -10.367 0.264) 20.736 14.913 ( -17.675 -10.204 -6.276) 21.352 15.163 ( -14.292 -8.251 6.001) 17.560 15.915 ( -0.373 -0.215 -0.001) 0.431 18.385 ( 3.257 1.880 -0.431) 3.785 19.001 ( 17.889 10.328 -2.778) 20.843 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 15.849 9.150 0.781) 18.317 2.041 ( 22.744 13.131 1.830) 26.326 2.313 ( 6.367 3.676 -0.513) 7.370 2.731 ( 4.937 2.851 -1.518) 5.900 3.123 ( 14.733 8.506 -0.264) 17.014 3.151 ( 11.649 6.726 0.779) 13.474 3.476 ( 7.309 4.220 0.177) 8.442 4.609 ( 1.006 0.581 -0.216) 1.181 5.183 ( 26.992 15.584 -1.775) 31.219 5.396 ( 7.086 4.091 -0.467) 8.196 7.139 ( 18.642 10.763 0.262) 21.527 7.864 ( -0.931 -0.537 2.320) 2.557 12.318 ( -20.111 -11.611 0.242) 23.224 14.492 ( -17.969 -10.375 -3.986) 21.129 14.806 ( -17.681 -10.208 4.188) 20.841 15.908 ( -0.275 -0.159 0.034) 0.320 18.400 ( -0.461 -0.266 -1.857) 1.932 19.295 ( 7.910 4.567 0.422) 9.143 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.000 26.213 0.425) 26.216 0.673 ( 0.000 7.414 9.200) 11.815 0.986 ( -0.000 45.242 0.832) 45.250 1.924 ( -0.000 3.725 -0.323) 3.739 2.074 ( -0.000 16.764 0.031) 16.764 2.988 ( -0.000 -5.726 -2.583) 6.282 3.137 ( -0.000 2.512 0.052) 2.512 3.387 ( -0.000 20.428 -1.946) 20.520 4.840 ( 0.000 -6.731 0.383) 6.742 4.984 ( -0.000 3.625 0.127) 3.628 5.509 ( -0.000 22.627 0.795) 22.641 8.360 ( 0.000 -8.944 3.001) 9.435 13.344 ( 0.000 -8.182 -0.008) 8.182 14.501 ( -0.000 67.715 -13.226) 68.994 15.812 ( -0.000 -11.009 -2.047) 11.198 15.930 ( -0.000 -0.235 -0.063) 0.244 17.224 ( 0.000 30.118 3.248) 30.293 18.901 ( -0.000 -17.819 -2.299) 17.966 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 9.538 17.177 4.876) 20.243 1.041 ( 13.520 24.274 0.720) 27.794 1.599 ( 20.247 34.683 -0.229) 40.161 1.997 ( 3.227 5.353 -0.336) 6.259 2.343 ( 10.006 17.503 0.745) 20.175 2.913 ( -1.900 -3.434 -1.984) 4.397 3.196 ( 2.659 4.718 0.121) 5.417 3.719 ( 13.309 22.480 -1.667) 26.178 4.751 ( -2.698 -5.007 0.150) 5.690 5.071 ( 3.813 6.229 -0.108) 7.304 5.864 ( 13.225 24.070 1.382) 27.499 8.230 ( -4.936 -8.435 1.999) 9.975 13.200 ( -6.153 -10.468 0.063) 12.143 15.079 ( 9.662 13.741 -4.821) 17.476 15.548 ( -12.518 -16.512 -2.161) 20.833 15.956 ( 0.789 1.731 -0.280) 1.923 17.827 ( 23.786 42.409 -1.204) 48.639 18.704 ( -3.400 -9.529 -1.139) 10.182 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 18.008 20.047 2.347) 27.049 1.511 ( 14.314 21.731 0.706) 26.032 2.125 ( 4.721 6.694 -0.373) 8.200 2.239 ( 20.848 21.989 -0.613) 30.308 2.702 ( 12.856 14.029 0.914) 19.050 2.876 ( 0.654 0.047 -1.280) 1.438 3.315 ( 3.675 8.475 0.197) 9.239 4.237 ( 21.972 21.424 -0.898) 30.701 4.666 ( -2.006 -3.628 -0.445) 4.169 5.218 ( 4.451 9.338 -0.362) 10.351 6.386 ( 20.499 21.509 1.146) 29.735 8.053 ( -6.640 -7.833 1.525) 10.381 12.936 ( -13.186 -9.956 0.157) 16.524 15.057 ( -12.685 -9.880 -6.873) 17.486 15.167 ( -5.882 -21.268 5.893) 22.839 15.964 ( -1.913 2.394 0.264) 3.076 18.456 ( 0.247 18.695 1.453) 18.753 18.739 ( 19.891 5.188 -3.918) 20.926 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 20.125 18.305 1.182) 27.231 1.933 ( 12.216 18.152 0.565) 21.888 2.276 ( 4.792 7.474 -0.322) 8.884 2.653 ( 9.163 6.966 -0.649) 11.529 2.988 ( 10.201 8.293 -0.408) 13.152 3.029 ( 11.588 9.509 0.477) 14.998 3.481 ( 3.528 12.688 0.173) 13.170 4.601 ( -0.132 -0.663 0.425) 0.798 4.853 ( 25.692 14.846 -1.747) 29.725 5.401 ( 4.727 13.036 -0.473) 13.875 6.934 ( 20.388 16.811 0.374) 26.428 7.883 ( -4.459 -6.046 1.323) 7.628 12.572 ( -19.076 -7.907 0.196) 20.651 14.641 ( -15.976 -15.591 -4.206) 22.716 14.867 ( -8.425 -21.790 4.512) 23.793 15.957 ( -2.126 3.495 0.291) 4.101 18.471 ( -5.331 5.651 -1.342) 7.884 19.131 ( 14.992 3.277 -0.026) 15.346 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.000 22.698 2.191) 22.804 1.154 ( -0.000 25.968 -0.362) 25.970 1.816 ( -0.000 38.455 -0.045) 38.455 2.025 ( -0.000 6.417 0.020) 6.417 2.455 ( -0.000 20.613 0.479) 20.619 2.895 ( -0.000 -2.668 -1.179) 2.917 3.210 ( -0.000 4.858 -0.013) 4.858 3.871 ( -0.000 29.278 -0.399) 29.281 4.728 ( 0.000 -5.023 0.457) 5.044 5.086 ( -0.000 6.551 0.284) 6.557 6.031 ( -0.000 29.479 -0.178) 29.479 8.183 ( 0.000 -9.877 1.162) 9.946 13.111 ( 0.000 -15.437 -0.166) 15.437 15.106 ( 0.000 0.565 2.598) 2.658 15.535 ( -0.000 -13.922 -8.799) 16.470 15.924 ( 0.000 -0.395 -0.038) 0.397 18.040 ( -0.000 40.631 -3.018) 40.743 18.675 ( 0.000 -1.430 3.736) 4.001 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 8.137 25.610 0.630) 26.879 1.514 ( 11.455 23.304 -0.240) 25.968 2.124 ( 3.515 7.403 0.045) 8.195 2.238 ( 8.624 29.054 -0.288) 30.308 2.703 ( 5.689 18.177 0.353) 19.050 2.874 ( -0.207 0.557 -0.425) 0.731 3.316 ( 5.477 7.439 -0.017) 9.237 4.234 ( 7.755 29.853 0.000) 30.844 4.663 ( -1.994 -3.808 0.343) 4.312 5.216 ( 5.967 8.466 0.197) 10.360 6.389 ( 8.114 28.483 -0.118) 29.616 8.056 ( -3.546 -9.569 0.462) 10.216 12.936 ( -2.093 -16.370 -0.114) 16.504 15.019 ( -2.001 -16.538 5.793) 17.637 15.208 ( -16.265 -14.920 -7.773) 23.401 15.965 ( 2.997 -0.428 -0.185) 3.033 18.467 ( 15.941 8.187 -2.329) 18.071 18.720 ( -4.677 21.156 2.827) 21.850 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 13.607 23.568 -0.000) 27.214 1.931 ( 11.723 20.305 -0.000) 23.446 2.276 ( 4.907 8.498 -0.000) 9.813 2.598 ( 7.314 12.668 -0.000) 14.628 2.943 ( 5.033 8.717 -0.000) 10.065 2.973 ( 7.514 13.015 -0.000) 15.028 3.530 ( 7.576 13.122 -0.000) 15.152 4.604 ( -1.180 -2.045 -0.000) 2.361 4.684 ( 13.514 23.407 0.000) 27.029 5.434 ( 7.388 12.796 -0.000) 14.776 6.833 ( 13.495 23.374 -0.000) 26.990 7.894 ( -4.790 -8.296 -0.000) 9.579 12.715 ( -7.371 -12.767 -0.000) 14.742 14.714 ( -12.813 -22.192 -0.000) 25.626 14.793 ( -10.442 -18.086 -0.000) 20.884 15.999 ( 0.886 1.534 -0.000) 1.772 18.599 ( -0.005 -0.008 -0.000) 0.010 18.962 ( 7.317 12.673 -0.000) 14.634 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.000 27.810 -0.758) 27.821 1.631 ( -0.000 22.867 -0.667) 22.876 2.164 ( -0.000 7.556 0.312) 7.562 2.449 ( -0.000 25.030 -0.072) 25.030 2.842 ( -0.000 18.277 -0.138) 18.277 2.895 ( -0.000 4.106 0.380) 4.123 3.325 ( -0.000 6.926 -0.089) 6.926 4.491 ( -0.000 30.573 -0.457) 30.576 4.660 ( 0.000 0.730 1.855) 1.994 5.233 ( -0.000 8.113 0.408) 8.124 6.619 ( -0.000 29.921 -0.643) 29.928 7.992 ( 0.000 -9.268 -0.545) 9.284 12.753 ( 0.000 -20.733 -0.256) 20.734 14.878 ( 0.000 -19.614 5.544) 20.382 15.203 ( -0.000 -17.310 -7.500) 18.865 15.915 ( 0.000 -0.424 -0.029) 0.425 18.384 ( -0.000 2.750 0.176) 2.755 18.988 ( -0.000 22.089 1.770) 22.160 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 0.000 -0.000 1.827) 1.827 0.270 ( 0.000 -0.000 1.827) 1.827 0.655 ( 0.000 -0.000 8.695) 8.695 1.886 ( -0.000 0.000 -0.347) 0.347 1.886 ( -0.000 0.000 -0.347) 0.347 3.102 ( -0.000 0.000 -2.851) 2.851 3.112 ( 0.000 -0.000 0.066) 0.066 3.112 ( 0.000 -0.000 0.066) 0.066 4.949 ( -0.000 0.000 -0.020) 0.020 4.949 ( -0.000 0.000 -0.020) 0.020 5.238 ( 0.000 -0.000 0.260) 0.260 8.483 ( 0.000 -0.000 2.500) 2.500 13.425 ( 0.000 -0.000 0.078) 0.078 13.425 ( 0.000 -0.000 0.078) 0.078 15.932 ( -0.000 0.000 -0.049) 0.049 15.932 ( -0.000 0.000 -0.049) 0.049 16.980 ( 0.000 -0.000 5.128) 5.128 19.122 ( -0.000 0.000 -5.472) 5.472 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 22.560 13.025 1.351) 26.085 0.697 ( 5.807 3.352 5.539) 8.697 0.994 ( 38.828 22.417 -0.514) 44.838 1.924 ( 3.293 1.901 -0.373) 3.821 2.072 ( 14.618 8.440 0.224) 16.881 2.981 ( -4.902 -2.830 -1.542) 5.866 3.137 ( 2.152 1.243 0.120) 2.488 3.383 ( 17.801 10.277 -1.300) 20.595 4.842 ( -5.657 -3.266 -0.098) 6.532 4.986 ( 3.228 1.864 -0.229) 3.735 5.505 ( 19.240 11.108 1.478) 22.266 8.369 ( -7.881 -4.550 1.589) 9.238 13.343 ( -7.143 -4.124 0.162) 8.250 14.462 ( 58.779 33.936 -6.414) 68.175 15.796 ( -11.537 -6.661 0.671) 13.339 15.930 ( -0.206 -0.119 -0.028) 0.239 17.235 ( 25.061 14.469 1.573) 28.980 18.902 ( -13.571 -7.835 -2.831) 15.924 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 19.507 11.262 2.160) 22.628 1.150 ( 22.504 12.993 0.967) 26.003 1.817 ( 33.169 19.150 -0.377) 38.302 2.026 ( 5.579 3.221 -0.367) 6.453 2.455 ( 17.886 10.327 0.481) 20.659 2.894 ( -2.261 -1.306 -0.864) 2.751 3.209 ( 4.205 2.428 0.149) 4.858 3.873 ( 25.438 14.687 -1.119) 29.395 4.730 ( -4.294 -2.479 -0.355) 4.971 5.088 ( 5.698 3.290 -0.389) 6.591 6.026 ( 25.567 14.761 1.527) 29.562 8.184 ( -8.624 -4.979 0.844) 9.994 13.110 ( -13.388 -7.730 0.226) 15.461 15.130 ( 2.473 1.428 -5.700) 6.375 15.489 ( -13.785 -7.959 6.390) 17.152 15.923 ( -0.345 -0.199 -0.000) 0.398 18.028 ( 34.264 19.782 1.448) 39.591 18.700 ( -0.316 -0.182 -4.745) 4.759 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -0.000 26.050 -0.497) 26.055 0.707 ( 0.000 6.560 2.076) 6.881 0.991 ( -0.000 44.983 0.730) 44.989 1.923 ( -0.000 3.764 0.028) 3.764 2.073 ( -0.000 16.952 -0.087) 16.952 2.978 ( -0.000 -5.686 -0.682) 5.727 3.137 ( -0.000 2.504 -0.037) 2.504 3.380 ( -0.000 20.385 -0.326) 20.388 4.841 ( 0.000 -6.612 0.255) 6.617 4.985 ( -0.000 3.669 0.193) 3.674 5.511 ( -0.000 22.554 -0.344) 22.557 8.371 ( 0.000 -9.111 0.778) 9.144 13.344 ( 0.000 -8.216 -0.092) 8.217 14.453 ( -0.000 67.561 -3.194) 67.636 15.802 ( -0.000 -12.424 -1.367) 12.499 15.930 ( 0.000 -0.235 -0.019) 0.236 17.237 ( -0.000 28.673 1.067) 28.692 18.893 ( 0.000 -16.237 0.004) 16.237 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 9.618 16.659 -0.000) 19.236 1.044 ( 13.838 23.969 -0.000) 27.677 1.598 ( 20.033 34.698 -0.000) 40.066 1.996 ( 3.125 5.413 -0.000) 6.251 2.346 ( 10.138 17.559 -0.000) 20.276 2.907 ( -1.943 -3.365 -0.000) 3.886 3.196 ( 2.712 4.698 -0.000) 5.425 3.714 ( 13.098 22.687 -0.000) 26.197 4.752 ( -2.854 -4.943 -0.000) 5.707 5.070 ( 3.644 6.312 -0.000) 7.289 5.868 ( 13.721 23.766 -0.000) 27.442 8.236 ( -4.903 -8.492 -0.000) 9.805 13.200 ( -6.072 -10.517 -0.000) 12.144 15.065 ( 9.124 15.803 -0.000) 18.248 15.542 ( -10.511 -18.205 -0.000) 21.021 15.956 ( 0.956 1.656 -0.000) 1.912 17.824 ( 24.111 41.761 -0.000) 48.222 18.701 ( -4.906 -8.497 -0.000) 9.811 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.43e-04 3.43e-04 0.00e+00 0.00e+00 1.84e-05 1.84e-05 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.000 -0.000 0.000) 0.000 0.275 ( 0.000 -0.000 0.000) 0.000 0.681 ( 0.000 -0.000 0.000) 0.000 1.885 ( 0.000 -0.000 0.000) 0.000 1.885 ( 0.000 -0.000 0.000) 0.000 3.093 ( 0.000 -0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 3.113 ( 0.000 -0.000 0.000) 0.000 4.949 ( 0.000 -0.000 0.000) 0.000 4.949 ( 0.000 -0.000 0.000) 0.000 5.239 ( 0.000 -0.000 0.000) 0.000 8.491 ( 0.000 -0.000 0.000) 0.000 13.425 ( 0.000 -0.000 0.000) 0.000 13.425 ( 0.000 -0.000 0.000) 0.000 15.932 ( 0.000 -0.000 0.000) 0.000 15.932 ( 0.000 -0.000 0.000) 0.000 16.995 ( 0.000 -0.000 0.000) 0.000 19.105 ( 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 3/73728 10.0 550.358 550.358 23.148 0.000 -0.000 -0.000 3/73728 20.0 505.189 505.189 10.285 0.000 -0.000 -0.000 3/73728 30.0 321.965 321.965 5.495 0.000 -0.000 -0.000 3/73728 40.0 210.269 210.269 3.500 0.000 -0.000 -0.000 3/73728 50.0 149.730 149.730 2.515 0.000 -0.000 -0.000 3/73728 60.0 114.618 114.618 1.950 0.000 -0.000 -0.000 3/73728 70.0 92.395 92.395 1.589 0.000 -0.000 -0.000 3/73728 80.0 77.247 77.247 1.342 0.000 -0.000 -0.000 3/73728 90.0 66.302 66.302 1.163 0.000 -0.000 -0.000 3/73728 100.0 58.032 58.032 1.027 0.000 -0.000 -0.000 3/73728 110.0 51.565 51.565 0.921 0.000 -0.000 -0.000 3/73728 120.0 46.369 46.369 0.836 0.000 -0.000 -0.000 3/73728 130.0 42.107 42.107 0.767 0.000 -0.000 -0.000 3/73728 140.0 38.549 38.549 0.710 0.000 -0.000 -0.000 3/73728 150.0 35.537 35.537 0.661 0.000 -0.000 -0.000 3/73728 160.0 32.956 32.956 0.620 0.000 -0.000 -0.000 3/73728 170.0 30.722 30.722 0.584 0.000 -0.000 -0.000 3/73728 180.0 28.771 28.771 0.552 0.000 -0.000 -0.000 3/73728 190.0 27.052 27.052 0.524 0.000 -0.000 -0.000 3/73728 200.0 25.527 25.527 0.499 0.000 -0.000 -0.000 3/73728 210.0 24.166 24.166 0.477 0.000 -0.000 -0.000 3/73728 220.0 22.944 22.944 0.457 0.000 -0.000 -0.000 3/73728 230.0 21.841 21.841 0.438 0.000 -0.000 -0.000 3/73728 240.0 20.840 20.840 0.421 0.000 -0.000 -0.000 3/73728 250.0 19.928 19.928 0.406 0.000 -0.000 -0.000 3/73728 260.0 19.093 19.093 0.391 0.000 -0.000 -0.000 3/73728 270.0 18.327 18.327 0.378 0.000 -0.000 -0.000 3/73728 280.0 17.621 17.621 0.366 0.000 -0.000 -0.000 3/73728 290.0 16.968 16.968 0.354 0.000 -0.000 -0.000 3/73728 300.0 16.363 16.363 0.343 0.000 -0.000 -0.000 3/73728 310.0 15.800 15.800 0.333 0.000 -0.000 -0.000 3/73728 320.0 15.275 15.275 0.323 0.000 -0.000 -0.000 3/73728 330.0 14.784 14.784 0.314 0.000 -0.000 -0.000 3/73728 340.0 14.325 14.325 0.306 0.000 -0.000 -0.000 3/73728 350.0 13.893 13.893 0.298 0.000 -0.000 -0.000 3/73728 360.0 13.488 13.488 0.290 0.000 -0.000 -0.000 3/73728 370.0 13.105 13.105 0.283 0.000 -0.000 -0.000 3/73728 380.0 12.744 12.744 0.276 0.000 -0.000 -0.000 3/73728 390.0 12.403 12.403 0.269 0.000 -0.000 -0.000 3/73728 400.0 12.080 12.080 0.263 0.000 -0.000 -0.000 3/73728 410.0 11.774 11.774 0.257 0.000 -0.000 -0.000 3/73728 420.0 11.483 11.483 0.251 0.000 -0.000 -0.000 3/73728 430.0 11.206 11.206 0.246 0.000 -0.000 -0.000 3/73728 440.0 10.942 10.942 0.240 0.000 -0.000 -0.000 3/73728 450.0 10.691 10.691 0.235 0.000 -0.000 -0.000 3/73728 460.0 10.451 10.451 0.230 0.000 -0.000 -0.000 3/73728 470.0 10.222 10.222 0.226 0.000 -0.000 -0.000 3/73728 480.0 10.002 10.002 0.221 0.000 -0.000 -0.000 3/73728 490.0 9.793 9.793 0.217 0.000 -0.000 -0.000 3/73728 500.0 9.591 9.591 0.213 0.000 -0.000 -0.000 3/73728 510.0 9.398 9.398 0.209 0.000 -0.000 -0.000 3/73728 520.0 9.213 9.213 0.205 0.000 -0.000 -0.000 3/73728 530.0 9.035 9.035 0.201 0.000 -0.000 -0.000 3/73728 540.0 8.864 8.864 0.198 0.000 -0.000 -0.000 3/73728 550.0 8.699 8.699 0.194 0.000 -0.000 -0.000 3/73728 560.0 8.540 8.540 0.191 0.000 -0.000 -0.000 3/73728 570.0 8.387 8.387 0.188 0.000 -0.000 -0.000 3/73728 580.0 8.240 8.240 0.185 0.000 -0.000 -0.000 3/73728 590.0 8.097 8.097 0.182 0.000 -0.000 -0.000 3/73728 600.0 7.960 7.960 0.179 0.000 -0.000 -0.000 3/73728 610.0 7.827 7.827 0.176 0.000 -0.000 -0.000 3/73728 620.0 7.699 7.699 0.173 0.000 -0.000 -0.000 3/73728 630.0 7.574 7.574 0.171 0.000 -0.000 -0.000 3/73728 640.0 7.454 7.454 0.168 0.000 -0.000 -0.000 3/73728 650.0 7.338 7.338 0.166 0.000 -0.000 -0.000 3/73728 660.0 7.225 7.225 0.163 0.000 -0.000 -0.000 3/73728 670.0 7.115 7.115 0.161 0.000 -0.000 -0.000 3/73728 680.0 7.009 7.009 0.158 0.000 -0.000 -0.000 3/73728 690.0 6.906 6.906 0.156 0.000 -0.000 -0.000 3/73728 700.0 6.806 6.806 0.154 0.000 -0.000 -0.000 3/73728 710.0 6.709 6.709 0.152 0.000 -0.000 -0.000 3/73728 720.0 6.615 6.615 0.150 0.000 -0.000 -0.000 3/73728 730.0 6.523 6.523 0.148 0.000 -0.000 -0.000 3/73728 740.0 6.434 6.434 0.146 0.000 -0.000 -0.000 3/73728 750.0 6.347 6.347 0.144 0.000 -0.000 -0.000 3/73728 760.0 6.262 6.262 0.142 0.000 -0.000 -0.000 3/73728 770.0 6.180 6.180 0.140 0.000 -0.000 -0.000 3/73728 780.0 6.100 6.100 0.139 0.000 -0.000 -0.000 3/73728 790.0 6.022 6.022 0.137 0.000 -0.000 -0.000 3/73728 800.0 5.946 5.946 0.135 0.000 -0.000 -0.000 3/73728 810.0 5.872 5.872 0.134 0.000 -0.000 -0.000 3/73728 820.0 5.800 5.800 0.132 0.000 -0.000 -0.000 3/73728 830.0 5.729 5.729 0.131 0.000 -0.000 -0.000 3/73728 840.0 5.660 5.660 0.129 0.000 -0.000 -0.000 3/73728 850.0 5.593 5.593 0.128 0.000 -0.000 -0.000 3/73728 860.0 5.527 5.527 0.126 0.000 -0.000 -0.000 3/73728 870.0 5.463 5.463 0.125 0.000 -0.000 -0.000 3/73728 880.0 5.401 5.401 0.123 0.000 -0.000 -0.000 3/73728 890.0 5.340 5.340 0.122 0.000 -0.000 -0.000 3/73728 900.0 5.280 5.280 0.121 0.000 -0.000 -0.000 3/73728 910.0 5.221 5.221 0.119 0.000 -0.000 -0.000 3/73728 920.0 5.164 5.164 0.118 0.000 -0.000 -0.000 3/73728 930.0 5.108 5.108 0.117 0.000 -0.000 -0.000 3/73728 940.0 5.054 5.054 0.116 0.000 -0.000 -0.000 3/73728 950.0 5.000 5.000 0.114 0.000 -0.000 -0.000 3/73728 960.0 4.948 4.948 0.113 0.000 -0.000 -0.000 3/73728 970.0 4.896 4.896 0.112 0.000 -0.000 -0.000 3/73728 980.0 4.846 4.846 0.111 0.000 -0.000 -0.000 3/73728 990.0 4.797 4.797 0.110 0.000 -0.000 -0.000 3/73728 1000.0 4.748 4.748 0.109 0.000 -0.000 -0.000 3/73728 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:54:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|