----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:32:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.435116390000000 2.435116390000000 5.300908110000000 b 2.435116390000000 -2.435116390000000 5.300908110000000 c 2.435116390000000 2.435116390000000 -5.300908110000000 Atomic positions (fractional): *1 H 0.57152384815327 0.68193722171818 0.58289018006289 1.008 2 H 0.43193722171819 0.34904704165529 0.61041337356492 1.008 3 H 0.73863366809038 0.82152384815327 0.38958662643508 1.008 4 H 0.09904704165529 0.98863366809037 0.41710981993711 1.008 5 H 0.65095295834471 0.26136633190963 0.08289018006289 1.008 6 H 0.01136633190963 0.42847615184673 0.11041337356492 1.008 7 H 0.31806277828182 0.90095295834471 0.88958662643508 1.008 8 H 0.17847615184673 0.56806277828182 0.91710981993711 1.008 *9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 *11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.870232780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.870232780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.601816220000000 Atomic positions (fractional): *1 H 0.34665177681391 0.23623840324899 0.33528544490428 1.008 > 1 2 H 0.26376159675101 0.34665177681391 0.08528544490428 1.008 > 2 3 H 0.73623840324899 0.65334822318609 0.08528544490428 1.008 > 3 4 H 0.65334822318609 0.76376159675101 0.33528544490428 1.008 > 4 5 H 0.84665177681391 0.23623840324899 0.41471455509572 1.008 > 5 6 H 0.26376159675101 0.84665177681391 0.16471455509572 1.008 > 6 7 H 0.73623840324899 0.15334822318610 0.16471455509572 1.008 > 7 8 H 0.15334822318610 0.76376159675101 0.41471455509572 1.008 > 8 9 H 0.84665177681391 0.73623840324899 0.83528544490428 1.008 > 1 10 H 0.76376159675101 0.84665177681391 0.58528544490428 1.008 > 2 11 H 0.23623840324899 0.15334822318610 0.58528544490428 1.008 > 3 12 H 0.15334822318610 0.26376159675101 0.83528544490428 1.008 > 4 13 H 0.34665177681391 0.73623840324899 0.91471455509572 1.008 > 5 14 H 0.76376159675101 0.34665177681391 0.66471455509572 1.008 > 6 15 H 0.23623840324899 0.65334822318609 0.66471455509572 1.008 > 7 16 H 0.65334822318609 0.26376159675101 0.91471455509572 1.008 > 8 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 9 18 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 10 19 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 9 20 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 10 *21 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 11 22 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 12 23 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 11 24 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.740465560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.740465560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.601816220000000 Atomic positions (fractional): *1 H 0.17332588840695 0.11811920162449 0.33528544490428 1.008 > 1 2 H 0.67332588840695 0.11811920162449 0.33528544490428 1.008 > 1 3 H 0.17332588840695 0.61811920162449 0.33528544490428 1.008 > 1 4 H 0.67332588840695 0.61811920162449 0.33528544490428 1.008 > 1 5 H 0.13188079837551 0.17332588840695 0.08528544490428 1.008 > 2 6 H 0.63188079837551 0.17332588840695 0.08528544490428 1.008 > 2 7 H 0.13188079837551 0.67332588840695 0.08528544490428 1.008 > 2 8 H 0.63188079837551 0.67332588840695 0.08528544490428 1.008 > 2 9 H 0.36811920162449 0.32667411159305 0.08528544490428 1.008 > 3 10 H 0.86811920162449 0.32667411159305 0.08528544490428 1.008 > 3 11 H 0.36811920162449 0.82667411159305 0.08528544490428 1.008 > 3 12 H 0.86811920162449 0.82667411159305 0.08528544490428 1.008 > 3 13 H 0.32667411159305 0.38188079837551 0.33528544490428 1.008 > 4 14 H 0.82667411159305 0.38188079837551 0.33528544490428 1.008 > 4 15 H 0.32667411159305 0.88188079837551 0.33528544490428 1.008 > 4 16 H 0.82667411159305 0.88188079837551 0.33528544490428 1.008 > 4 17 H 0.42332588840695 0.11811920162449 0.41471455509572 1.008 > 5 18 H 0.92332588840695 0.11811920162449 0.41471455509572 1.008 > 5 19 H 0.42332588840695 0.61811920162449 0.41471455509572 1.008 > 5 20 H 0.92332588840695 0.61811920162449 0.41471455509572 1.008 > 5 21 H 0.13188079837551 0.42332588840695 0.16471455509572 1.008 > 6 22 H 0.63188079837551 0.42332588840695 0.16471455509572 1.008 > 6 23 H 0.13188079837551 0.92332588840695 0.16471455509572 1.008 > 6 24 H 0.63188079837551 0.92332588840695 0.16471455509572 1.008 > 6 25 H 0.36811920162449 0.07667411159305 0.16471455509572 1.008 > 7 26 H 0.86811920162449 0.07667411159305 0.16471455509572 1.008 > 7 27 H 0.36811920162449 0.57667411159305 0.16471455509572 1.008 > 7 28 H 0.86811920162449 0.57667411159305 0.16471455509572 1.008 > 7 29 H 0.07667411159305 0.38188079837551 0.41471455509572 1.008 > 8 30 H 0.57667411159305 0.38188079837551 0.41471455509572 1.008 > 8 31 H 0.07667411159305 0.88188079837551 0.41471455509572 1.008 > 8 32 H 0.57667411159305 0.88188079837551 0.41471455509572 1.008 > 8 33 H 0.42332588840695 0.36811920162449 0.83528544490428 1.008 > 1 34 H 0.92332588840695 0.36811920162449 0.83528544490428 1.008 > 1 35 H 0.42332588840695 0.86811920162449 0.83528544490428 1.008 > 1 36 H 0.92332588840695 0.86811920162449 0.83528544490428 1.008 > 1 37 H 0.38188079837551 0.42332588840695 0.58528544490428 1.008 > 2 38 H 0.88188079837551 0.42332588840695 0.58528544490428 1.008 > 2 39 H 0.38188079837551 0.92332588840695 0.58528544490428 1.008 > 2 40 H 0.88188079837551 0.92332588840695 0.58528544490428 1.008 > 2 41 H 0.11811920162449 0.07667411159305 0.58528544490428 1.008 > 3 42 H 0.61811920162449 0.07667411159305 0.58528544490428 1.008 > 3 43 H 0.11811920162449 0.57667411159305 0.58528544490428 1.008 > 3 44 H 0.61811920162449 0.57667411159305 0.58528544490428 1.008 > 3 45 H 0.07667411159305 0.13188079837551 0.83528544490428 1.008 > 4 46 H 0.57667411159305 0.13188079837551 0.83528544490428 1.008 > 4 47 H 0.07667411159305 0.63188079837551 0.83528544490428 1.008 > 4 48 H 0.57667411159305 0.63188079837551 0.83528544490428 1.008 > 4 49 H 0.17332588840695 0.36811920162449 0.91471455509572 1.008 > 5 50 H 0.67332588840695 0.36811920162449 0.91471455509572 1.008 > 5 51 H 0.17332588840695 0.86811920162449 0.91471455509572 1.008 > 5 52 H 0.67332588840695 0.86811920162449 0.91471455509572 1.008 > 5 53 H 0.38188079837551 0.17332588840695 0.66471455509572 1.008 > 6 54 H 0.88188079837551 0.17332588840695 0.66471455509572 1.008 > 6 55 H 0.38188079837551 0.67332588840695 0.66471455509572 1.008 > 6 56 H 0.88188079837551 0.67332588840695 0.66471455509572 1.008 > 6 57 H 0.11811920162449 0.32667411159305 0.66471455509572 1.008 > 7 58 H 0.61811920162449 0.32667411159305 0.66471455509572 1.008 > 7 59 H 0.11811920162449 0.82667411159305 0.66471455509572 1.008 > 7 60 H 0.61811920162449 0.82667411159305 0.66471455509572 1.008 > 7 61 H 0.32667411159305 0.13188079837551 0.91471455509572 1.008 > 8 62 H 0.82667411159305 0.13188079837551 0.91471455509572 1.008 > 8 63 H 0.32667411159305 0.63188079837551 0.91471455509572 1.008 > 8 64 H 0.82667411159305 0.63188079837551 0.91471455509572 1.008 > 8 *65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 9 66 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 9 67 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 9 68 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 9 69 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 10 70 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 10 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 10 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 10 73 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 9 74 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 9 75 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 9 76 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 9 77 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 10 78 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 10 79 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 10 80 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 10 *81 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 11 82 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 11 83 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 11 84 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 11 85 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 12 86 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 12 87 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 12 88 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 12 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 11 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 11 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 11 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 11 93 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 12 94 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 12 95 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 12 96 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5606081 0.0000003 0.0000000 -0.0000003 3.5606081 0.0000000 0.0000000 0.0000000 3.7685517 -------------------------- Born effective charges -------------------------- 1 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 2 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 3 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 4 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 5 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 6 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 7 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 8 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 9 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 10 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 11 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 12 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 240 - Time: 0.568 Solver_block: 200 / 240 - Time: 0.574 Solver_block: 240 / 240 - Time: 0.303 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.539 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:32:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.435116390000000 2.435116390000000 5.300908110000000 b 2.435116390000000 -2.435116390000000 5.300908110000000 c 2.435116390000000 2.435116390000000 -5.300908110000000 Atomic positions (fractional): 1 H 0.57152384815327 0.68193722171818 0.58289018006289 1.008 2 H 0.43193722171819 0.34904704165529 0.61041337356492 1.008 3 H 0.73863366809038 0.82152384815327 0.38958662643508 1.008 4 H 0.09904704165529 0.98863366809037 0.41710981993711 1.008 5 H 0.65095295834471 0.26136633190963 0.08289018006289 1.008 6 H 0.01136633190963 0.42847615184673 0.11041337356492 1.008 7 H 0.31806277828182 0.90095295834471 0.88958662643508 1.008 8 H 0.17847615184673 0.56806277828182 0.91710981993711 1.008 9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740465560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.740465560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.601816220000000 Atomic positions (fractional): 1 H 0.17332588840695 0.11811920162449 0.33528544490428 1.008 > 1 2 H 0.67332588840695 0.11811920162449 0.33528544490428 1.008 > 1 3 H 0.17332588840695 0.61811920162449 0.33528544490428 1.008 > 1 4 H 0.67332588840695 0.61811920162449 0.33528544490428 1.008 > 1 5 H 0.13188079837551 0.17332588840695 0.08528544490428 1.008 > 5 6 H 0.63188079837551 0.17332588840695 0.08528544490428 1.008 > 5 7 H 0.13188079837551 0.67332588840695 0.08528544490428 1.008 > 5 8 H 0.63188079837551 0.67332588840695 0.08528544490428 1.008 > 5 9 H 0.36811920162449 0.32667411159305 0.08528544490428 1.008 > 9 10 H 0.86811920162449 0.32667411159305 0.08528544490428 1.008 > 9 11 H 0.36811920162449 0.82667411159305 0.08528544490428 1.008 > 9 12 H 0.86811920162449 0.82667411159305 0.08528544490428 1.008 > 9 13 H 0.32667411159305 0.38188079837551 0.33528544490428 1.008 > 13 14 H 0.82667411159305 0.38188079837551 0.33528544490428 1.008 > 13 15 H 0.32667411159305 0.88188079837551 0.33528544490428 1.008 > 13 16 H 0.82667411159305 0.88188079837551 0.33528544490428 1.008 > 13 17 H 0.42332588840695 0.11811920162449 0.41471455509572 1.008 > 17 18 H 0.92332588840695 0.11811920162449 0.41471455509572 1.008 > 17 19 H 0.42332588840695 0.61811920162449 0.41471455509572 1.008 > 17 20 H 0.92332588840695 0.61811920162449 0.41471455509572 1.008 > 17 21 H 0.13188079837551 0.42332588840695 0.16471455509572 1.008 > 21 22 H 0.63188079837551 0.42332588840695 0.16471455509572 1.008 > 21 23 H 0.13188079837551 0.92332588840695 0.16471455509572 1.008 > 21 24 H 0.63188079837551 0.92332588840695 0.16471455509572 1.008 > 21 25 H 0.36811920162449 0.07667411159305 0.16471455509572 1.008 > 25 26 H 0.86811920162449 0.07667411159305 0.16471455509572 1.008 > 25 27 H 0.36811920162449 0.57667411159305 0.16471455509572 1.008 > 25 28 H 0.86811920162449 0.57667411159305 0.16471455509572 1.008 > 25 29 H 0.07667411159305 0.38188079837551 0.41471455509572 1.008 > 29 30 H 0.57667411159305 0.38188079837551 0.41471455509572 1.008 > 29 31 H 0.07667411159305 0.88188079837551 0.41471455509572 1.008 > 29 32 H 0.57667411159305 0.88188079837551 0.41471455509572 1.008 > 29 33 H 0.42332588840695 0.36811920162449 0.83528544490428 1.008 > 1 34 H 0.92332588840695 0.36811920162449 0.83528544490428 1.008 > 1 35 H 0.42332588840695 0.86811920162449 0.83528544490428 1.008 > 1 36 H 0.92332588840695 0.86811920162449 0.83528544490428 1.008 > 1 37 H 0.38188079837551 0.42332588840695 0.58528544490428 1.008 > 5 38 H 0.88188079837551 0.42332588840695 0.58528544490428 1.008 > 5 39 H 0.38188079837551 0.92332588840695 0.58528544490428 1.008 > 5 40 H 0.88188079837551 0.92332588840695 0.58528544490428 1.008 > 5 41 H 0.11811920162449 0.07667411159305 0.58528544490428 1.008 > 9 42 H 0.61811920162449 0.07667411159305 0.58528544490428 1.008 > 9 43 H 0.11811920162449 0.57667411159305 0.58528544490428 1.008 > 9 44 H 0.61811920162449 0.57667411159305 0.58528544490428 1.008 > 9 45 H 0.07667411159305 0.13188079837551 0.83528544490428 1.008 > 13 46 H 0.57667411159305 0.13188079837551 0.83528544490428 1.008 > 13 47 H 0.07667411159305 0.63188079837551 0.83528544490428 1.008 > 13 48 H 0.57667411159305 0.63188079837551 0.83528544490428 1.008 > 13 49 H 0.17332588840695 0.36811920162449 0.91471455509572 1.008 > 17 50 H 0.67332588840695 0.36811920162449 0.91471455509572 1.008 > 17 51 H 0.17332588840695 0.86811920162449 0.91471455509572 1.008 > 17 52 H 0.67332588840695 0.86811920162449 0.91471455509572 1.008 > 17 53 H 0.38188079837551 0.17332588840695 0.66471455509572 1.008 > 21 54 H 0.88188079837551 0.17332588840695 0.66471455509572 1.008 > 21 55 H 0.38188079837551 0.67332588840695 0.66471455509572 1.008 > 21 56 H 0.88188079837551 0.67332588840695 0.66471455509572 1.008 > 21 57 H 0.11811920162449 0.32667411159305 0.66471455509572 1.008 > 25 58 H 0.61811920162449 0.32667411159305 0.66471455509572 1.008 > 25 59 H 0.11811920162449 0.82667411159305 0.66471455509572 1.008 > 25 60 H 0.61811920162449 0.82667411159305 0.66471455509572 1.008 > 25 61 H 0.32667411159305 0.13188079837551 0.91471455509572 1.008 > 29 62 H 0.82667411159305 0.13188079837551 0.91471455509572 1.008 > 29 63 H 0.32667411159305 0.63188079837551 0.91471455509572 1.008 > 29 64 H 0.82667411159305 0.63188079837551 0.91471455509572 1.008 > 29 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 65 69 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 69 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 69 73 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 65 75 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 65 76 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 65 77 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 69 78 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 69 79 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 81 82 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 81 83 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 81 84 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 81 85 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 85 86 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 85 87 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 85 88 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 81 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 81 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 81 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 81 93 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 85 94 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 85 95 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 85 96 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5606081 0.0000003 0.0000000 -0.0000003 3.5606081 0.0000000 0.0000000 0.0000000 3.7685517 -------------------------- Born effective charges -------------------------- 1 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 2 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 3 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 4 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 5 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 6 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 7 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 8 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 9 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 10 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 11 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 12 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 05:32:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.435116390000000 2.435116390000000 5.300908110000000 b 2.435116390000000 -2.435116390000000 5.300908110000000 c 2.435116390000000 2.435116390000000 -5.300908110000000 Atomic positions (fractional): 1 H 0.57152384815327 0.68193722171818 0.58289018006289 1.008 2 H 0.43193722171819 0.34904704165529 0.61041337356492 1.008 3 H 0.73863366809038 0.82152384815327 0.38958662643508 1.008 4 H 0.09904704165529 0.98863366809037 0.41710981993711 1.008 5 H 0.65095295834471 0.26136633190963 0.08289018006289 1.008 6 H 0.01136633190963 0.42847615184673 0.11041337356492 1.008 7 H 0.31806277828182 0.90095295834471 0.88958662643508 1.008 8 H 0.17847615184673 0.56806277828182 0.91710981993711 1.008 9 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 11 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.740465560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.740465560000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.601816220000000 Atomic positions (fractional): 1 H 0.17332588840695 0.11811920162449 0.33528544490428 1.008 > 1 2 H 0.67332588840695 0.11811920162449 0.33528544490428 1.008 > 1 3 H 0.17332588840695 0.61811920162449 0.33528544490428 1.008 > 1 4 H 0.67332588840695 0.61811920162449 0.33528544490428 1.008 > 1 5 H 0.13188079837551 0.17332588840695 0.08528544490428 1.008 > 5 6 H 0.63188079837551 0.17332588840695 0.08528544490428 1.008 > 5 7 H 0.13188079837551 0.67332588840695 0.08528544490428 1.008 > 5 8 H 0.63188079837551 0.67332588840695 0.08528544490428 1.008 > 5 9 H 0.36811920162449 0.32667411159305 0.08528544490428 1.008 > 9 10 H 0.86811920162449 0.32667411159305 0.08528544490428 1.008 > 9 11 H 0.36811920162449 0.82667411159305 0.08528544490428 1.008 > 9 12 H 0.86811920162449 0.82667411159305 0.08528544490428 1.008 > 9 13 H 0.32667411159305 0.38188079837551 0.33528544490428 1.008 > 13 14 H 0.82667411159305 0.38188079837551 0.33528544490428 1.008 > 13 15 H 0.32667411159305 0.88188079837551 0.33528544490428 1.008 > 13 16 H 0.82667411159305 0.88188079837551 0.33528544490428 1.008 > 13 17 H 0.42332588840695 0.11811920162449 0.41471455509572 1.008 > 17 18 H 0.92332588840695 0.11811920162449 0.41471455509572 1.008 > 17 19 H 0.42332588840695 0.61811920162449 0.41471455509572 1.008 > 17 20 H 0.92332588840695 0.61811920162449 0.41471455509572 1.008 > 17 21 H 0.13188079837551 0.42332588840695 0.16471455509572 1.008 > 21 22 H 0.63188079837551 0.42332588840695 0.16471455509572 1.008 > 21 23 H 0.13188079837551 0.92332588840695 0.16471455509572 1.008 > 21 24 H 0.63188079837551 0.92332588840695 0.16471455509572 1.008 > 21 25 H 0.36811920162449 0.07667411159305 0.16471455509572 1.008 > 25 26 H 0.86811920162449 0.07667411159305 0.16471455509572 1.008 > 25 27 H 0.36811920162449 0.57667411159305 0.16471455509572 1.008 > 25 28 H 0.86811920162449 0.57667411159305 0.16471455509572 1.008 > 25 29 H 0.07667411159305 0.38188079837551 0.41471455509572 1.008 > 29 30 H 0.57667411159305 0.38188079837551 0.41471455509572 1.008 > 29 31 H 0.07667411159305 0.88188079837551 0.41471455509572 1.008 > 29 32 H 0.57667411159305 0.88188079837551 0.41471455509572 1.008 > 29 33 H 0.42332588840695 0.36811920162449 0.83528544490428 1.008 > 1 34 H 0.92332588840695 0.36811920162449 0.83528544490428 1.008 > 1 35 H 0.42332588840695 0.86811920162449 0.83528544490428 1.008 > 1 36 H 0.92332588840695 0.86811920162449 0.83528544490428 1.008 > 1 37 H 0.38188079837551 0.42332588840695 0.58528544490428 1.008 > 5 38 H 0.88188079837551 0.42332588840695 0.58528544490428 1.008 > 5 39 H 0.38188079837551 0.92332588840695 0.58528544490428 1.008 > 5 40 H 0.88188079837551 0.92332588840695 0.58528544490428 1.008 > 5 41 H 0.11811920162449 0.07667411159305 0.58528544490428 1.008 > 9 42 H 0.61811920162449 0.07667411159305 0.58528544490428 1.008 > 9 43 H 0.11811920162449 0.57667411159305 0.58528544490428 1.008 > 9 44 H 0.61811920162449 0.57667411159305 0.58528544490428 1.008 > 9 45 H 0.07667411159305 0.13188079837551 0.83528544490428 1.008 > 13 46 H 0.57667411159305 0.13188079837551 0.83528544490428 1.008 > 13 47 H 0.07667411159305 0.63188079837551 0.83528544490428 1.008 > 13 48 H 0.57667411159305 0.63188079837551 0.83528544490428 1.008 > 13 49 H 0.17332588840695 0.36811920162449 0.91471455509572 1.008 > 17 50 H 0.67332588840695 0.36811920162449 0.91471455509572 1.008 > 17 51 H 0.17332588840695 0.86811920162449 0.91471455509572 1.008 > 17 52 H 0.67332588840695 0.86811920162449 0.91471455509572 1.008 > 17 53 H 0.38188079837551 0.17332588840695 0.66471455509572 1.008 > 21 54 H 0.88188079837551 0.17332588840695 0.66471455509572 1.008 > 21 55 H 0.38188079837551 0.67332588840695 0.66471455509572 1.008 > 21 56 H 0.88188079837551 0.67332588840695 0.66471455509572 1.008 > 21 57 H 0.11811920162449 0.32667411159305 0.66471455509572 1.008 > 25 58 H 0.61811920162449 0.32667411159305 0.66471455509572 1.008 > 25 59 H 0.11811920162449 0.82667411159305 0.66471455509572 1.008 > 25 60 H 0.61811920162449 0.82667411159305 0.66471455509572 1.008 > 25 61 H 0.32667411159305 0.13188079837551 0.91471455509572 1.008 > 29 62 H 0.82667411159305 0.13188079837551 0.91471455509572 1.008 > 29 63 H 0.32667411159305 0.63188079837551 0.91471455509572 1.008 > 29 64 H 0.82667411159305 0.63188079837551 0.91471455509572 1.008 > 29 65 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 65 67 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 65 69 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 69 72 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 69 73 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 65 74 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 65 75 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 65 76 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 65 77 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 69 78 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 69 79 Na 0.25000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.75000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 81 82 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 81 83 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 81 84 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 81 85 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 85 86 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 85 87 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 85 88 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 85 89 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 81 90 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 81 91 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 81 92 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 81 93 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 85 94 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 85 95 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 85 96 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5606081 0.0000003 0.0000000 -0.0000003 3.5606081 0.0000000 0.0000000 0.0000000 3.7685517 -------------------------- Born effective charges -------------------------- 1 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 2 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 3 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 4 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 5 H -0.7012448 0.0550761 -0.1470756 0.0517071 -0.7426792 0.0598426 -0.0969717 0.0837201 -0.8001606 6 H -0.7426792 -0.0517071 -0.0598426 -0.0550761 -0.7012448 -0.1470756 -0.0837201 -0.0969717 -0.8001606 7 H -0.7426792 -0.0517071 0.0598426 -0.0550761 -0.7012448 0.1470756 0.0837201 0.0969717 -0.8001606 8 H -0.7012448 0.0550761 0.1470756 0.0517071 -0.7426792 -0.0598426 0.0969717 -0.0837201 -0.8001606 9 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 10 Na 1.1545529 -0.0255199 0.0000000 0.0255199 1.1545529 -0.0000000 0.0000000 0.0000000 1.0352410 11 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 12 Al 1.7332951 0.0187819 0.0000000 -0.0187819 1.7332951 -0.0000000 0.0000000 0.0000000 2.1654013 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 5 10 20 ] Grid generation matrix: [ 0 10 10 ] [ 10 0 10 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 -0.000 -0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 -0.000 -0.000) 0.000 6.419 ( -0.000 0.000 -0.000) 0.000 6.753 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 -0.000) 0.000 10.781 ( 0.000 0.000 -0.000) 0.000 14.906 ( 0.000 0.000 0.000) 0.000 14.937 ( 0.000 0.000 0.000) 0.000 15.720 ( 0.000 0.000 -0.000) 0.000 18.884 ( 0.000 0.000 0.000) 0.000 18.884 ( 0.000 -0.000 -0.000) 0.000 21.388 ( -0.000 0.000 -0.000) 0.000 21.388 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 -0.000) 0.000 23.873 ( 0.000 -0.000 -0.000) 0.000 25.078 ( 0.000 -0.000 0.000) 0.000 25.078 ( 0.000 -0.000 -0.000) 0.000 25.565 ( 0.000 -0.000 0.000) 0.000 26.398 ( 0.000 0.000 0.000) 0.000 26.501 ( 0.000 -0.000 0.000) 0.000 49.178 ( 0.000 0.000 -0.000) 0.000 50.116 ( -0.000 0.000 -0.000) 0.000 50.116 ( -0.000 0.000 -0.000) 0.000 50.435 ( 0.000 0.000 0.000) 0.000 50.435 ( 0.000 0.000 -0.000) 0.000 50.996 ( 0.000 0.000 0.000) 0.000 52.256 ( 0.000 0.000 -0.000) 0.000 52.755 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 30.258 1.585 5.297) 30.759 1.685 ( 32.883 20.853 14.256) 41.465 2.650 ( 49.184 -13.350 22.579) 55.741 3.830 ( -2.859 -2.999 0.412) 4.164 4.068 ( -2.360 -3.864 -4.034) 6.065 4.316 ( 7.904 4.263 -3.170) 9.523 5.059 ( -3.510 -1.379 -3.535) 5.168 5.575 ( -6.084 -2.970 -2.249) 7.134 6.128 ( -0.209 1.782 -17.872) 17.962 6.268 ( -5.092 3.620 -1.343) 6.391 6.444 ( -6.823 -4.116 -4.348) 9.078 6.661 ( -2.349 3.066 -0.872) 3.960 11.416 ( 18.983 18.470 16.247) 31.072 12.630 ( 38.572 -13.256 -36.118) 54.480 14.707 ( -10.836 -1.096 2.558) 11.188 15.471 ( -12.139 -0.689 11.567) 16.782 16.679 ( -23.513 -1.850 89.847) 92.891 18.628 ( 0.056 4.374 -25.495) 25.868 18.801 ( 11.599 -2.718 -33.821) 35.858 21.508 ( -4.346 14.025 21.168) 25.761 22.674 ( -5.267 -1.993 -2.754) 6.269 23.758 ( 0.978 -10.176 -10.757) 14.840 24.506 ( 12.494 1.474 -26.048) 28.928 24.749 ( -14.886 -0.979 2.462) 15.120 25.134 ( 1.457 -1.165 1.913) 2.672 25.711 ( 13.943 -0.357 -12.756) 18.901 26.497 ( -1.125 0.451 6.719) 6.827 27.014 ( -15.079 -0.637 30.570) 34.093 49.423 ( 0.320 -0.552 10.408) 10.428 49.993 ( -2.963 0.867 -4.232) 5.238 50.355 ( -2.266 -1.333 -0.676) 2.715 50.480 ( 0.376 4.301 1.400) 4.539 50.881 ( -5.568 -6.523 1.657) 8.735 52.120 ( 3.151 2.255 -5.311) 6.574 52.369 ( 3.195 1.096 1.948) 3.899 52.768 ( 0.731 -0.099 -0.891) 1.157 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 22.669 1.124 4.911) 23.222 3.143 ( 22.637 16.605 10.706) 30.046 3.563 ( -8.339 -2.916 -0.797) 8.870 3.842 ( -1.541 0.655 -2.041) 2.640 4.254 ( -10.733 -7.357 -8.163) 15.361 4.724 ( 28.775 -5.304 8.543) 30.481 4.958 ( 2.642 -5.096 -3.311) 6.627 5.260 ( -0.010 -5.251 1.079) 5.361 5.808 ( -7.367 4.093 -2.827) 8.889 5.965 ( -0.706 8.839 -7.701) 11.744 6.190 ( -5.883 -1.801 1.726) 6.390 6.310 ( -11.452 -0.821 -2.393) 11.728 12.413 ( 11.280 14.566 10.176) 21.047 13.578 ( 18.524 -7.505 -2.569) 20.150 14.288 ( -7.679 -2.969 -2.532) 8.614 15.399 ( 0.021 -3.299 7.743) 8.417 17.231 ( -9.302 -1.048 28.041) 29.562 18.234 ( -3.657 9.590 6.057) 11.918 18.557 ( 11.508 -6.415 -42.060) 44.075 21.801 ( -0.784 8.027 21.283) 22.760 22.304 ( -5.808 -4.017 -11.283) 13.310 23.732 ( 7.734 2.593 -7.079) 10.801 24.136 ( -14.223 -6.421 0.910) 15.632 24.528 ( 0.856 1.465 -1.776) 2.456 25.265 ( 2.459 -1.068 1.284) 2.972 26.120 ( 13.330 -1.779 -7.015) 15.168 26.440 ( -7.244 1.057 5.241) 9.003 26.902 ( -6.421 -0.248 7.152) 9.615 49.640 ( 2.409 -4.493 4.101) 6.543 49.804 ( -1.702 4.452 -3.831) 6.115 50.293 ( -1.097 -1.153 1.387) 2.111 50.456 ( -0.378 6.381 -2.901) 7.020 50.718 ( -3.474 -7.219 3.267) 8.652 52.159 ( 1.245 1.081 -1.066) 1.963 52.509 ( 1.302 1.240 1.734) 2.498 52.763 ( 0.031 -0.291 -0.942) 0.987 ======================= Grid point 5 (4/156) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 37.339 0.535 0.000) 37.343 0.972 ( 23.574 23.310 0.000) 33.152 1.871 ( 36.240 51.479 -0.000) 62.955 3.841 ( -3.904 0.875 -0.000) 4.000 4.087 ( -3.904 -1.371 -0.000) 4.138 4.285 ( 7.120 4.305 0.000) 8.321 5.134 ( -2.605 -2.076 -0.000) 3.331 5.815 ( 4.818 6.350 -0.000) 7.971 6.298 ( -5.711 -4.958 -0.000) 7.563 6.416 ( -12.056 -11.362 -0.000) 16.566 6.465 ( 2.724 1.526 0.000) 3.123 6.685 ( -2.217 -5.501 0.000) 5.932 10.983 ( 18.588 0.135 0.000) 18.589 13.343 ( 8.504 21.972 -0.000) 23.560 14.780 ( -8.188 -5.604 -0.000) 9.922 14.856 ( -1.473 -3.412 0.000) 3.716 15.785 ( 3.132 3.415 -0.000) 4.634 18.907 ( 2.413 -0.838 0.000) 2.554 19.028 ( 4.980 8.220 -0.000) 9.611 21.334 ( 7.689 -12.135 0.000) 14.366 22.723 ( -5.995 -4.756 -0.000) 7.652 23.843 ( -6.241 6.790 -0.000) 9.222 24.941 ( -2.365 -10.401 0.000) 10.667 25.015 ( -7.167 1.347 -0.000) 7.292 25.229 ( 0.106 7.427 -0.000) 7.428 25.583 ( 2.771 -0.847 0.000) 2.897 26.428 ( 1.699 0.488 0.000) 1.768 26.507 ( -0.016 0.736 -0.000) 0.736 49.250 ( 3.291 3.669 -0.000) 4.929 50.109 ( 0.643 -1.177 0.000) 1.341 50.369 ( -4.469 -1.471 -0.000) 4.705 50.472 ( 3.521 -0.126 0.000) 3.524 50.931 ( -6.279 -0.001 -0.000) 6.279 52.147 ( -0.939 -4.128 0.000) 4.233 52.314 ( 2.625 1.531 0.000) 3.039 52.770 ( 0.707 0.765 -0.000) 1.042 ======================= Grid point 6 (5/156) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 28.485 7.907 -0.235) 29.563 2.629 ( 34.909 -1.493 8.595) 35.982 3.510 ( 15.718 10.782 7.398) 20.446 3.829 ( 16.717 7.464 5.487) 19.112 3.926 ( -2.084 -3.017 -0.359) 3.684 4.448 ( -1.646 -4.011 -6.128) 7.507 4.961 ( -2.303 -0.736 -3.640) 4.370 5.300 ( -16.498 -6.528 -1.628) 17.818 6.041 ( -0.951 -1.271 -6.563) 6.753 6.149 ( -7.966 -6.547 -1.387) 10.404 6.371 ( -2.099 7.398 -4.564) 8.942 6.575 ( -6.316 1.830 2.675) 7.099 12.323 ( 29.845 13.235 12.761) 35.053 13.205 ( 22.948 8.398 -36.978) 44.323 14.390 ( -10.965 -6.093 3.567) 13.041 15.209 ( -8.894 -0.132 19.658) 21.577 16.442 ( -4.001 2.876 54.625) 54.847 18.731 ( -2.515 5.617 -17.551) 18.598 19.057 ( 12.634 3.525 -33.590) 36.060 21.711 ( -0.800 9.836 13.551) 16.763 22.359 ( -5.585 -16.128 -4.250) 17.589 23.754 ( 3.637 6.299 -1.125) 7.360 24.392 ( -17.246 -1.161 -0.984) 17.313 24.703 ( -1.431 6.276 -9.363) 11.362 25.061 ( 0.173 -5.949 5.114) 7.847 25.950 ( 14.595 -5.020 -11.276) 19.115 26.487 ( -2.676 1.996 3.987) 5.200 26.746 ( -5.750 -4.076 17.644) 19.000 49.469 ( 2.419 1.006 4.006) 4.786 50.005 ( -1.848 5.209 -2.872) 6.228 50.259 ( -2.196 -1.561 3.146) 4.142 50.583 ( -6.643 -7.613 0.126) 10.105 50.635 ( 3.211 4.338 -2.089) 5.787 52.128 ( 0.438 -4.567 -1.380) 4.791 52.475 ( 2.978 2.496 2.119) 4.425 52.791 ( 0.316 1.320 -0.776) 1.564 ======================= Grid point 7 (6/156) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 6.458 5.013 -4.206) 9.194 3.264 ( -4.351 0.688 -2.919) 5.284 3.624 ( -13.321 -13.638 -10.881) 21.951 3.802 ( -0.153 -0.473 0.437) 0.662 3.973 ( 13.162 2.777 2.884) 13.758 4.870 ( -6.272 -1.362 13.113) 14.599 4.878 ( 0.991 -13.315 -0.376) 13.357 5.309 ( 20.143 -5.674 5.428) 21.619 5.742 ( -8.223 2.694 3.895) 9.489 5.955 ( -13.864 3.372 -7.585) 16.158 6.111 ( 1.497 8.442 -1.014) 8.634 6.359 ( 2.075 9.562 -0.831) 9.820 12.826 ( 1.267 10.632 -24.960) 27.160 13.706 ( 4.927 -5.678 -0.038) 7.518 14.252 ( 2.031 7.672 5.509) 9.660 15.336 ( 1.953 -4.410 10.790) 11.819 17.025 ( -8.959 0.623 34.683) 35.827 18.332 ( -7.595 9.240 6.348) 13.541 18.802 ( 10.615 7.750 -42.799) 44.771 21.929 ( 0.998 1.857 7.254) 7.554 22.109 ( 1.391 -7.183 -9.122) 11.693 23.747 ( -13.775 -3.407 5.551) 15.237 24.056 ( 10.753 9.563 0.703) 14.407 24.564 ( -1.922 3.377 -0.482) 3.915 25.189 ( 0.063 -7.957 3.532) 8.706 26.288 ( -5.371 -0.435 1.701) 5.651 26.355 ( 6.922 0.884 -4.563) 8.337 26.804 ( 1.774 -4.224 2.838) 5.390 49.601 ( 1.741 -2.399 4.907) 5.733 49.881 ( -4.400 7.223 -0.288) 8.463 50.296 ( -5.254 -6.937 1.713) 8.869 50.319 ( 3.755 0.639 -1.864) 4.240 50.823 ( 7.193 5.524 -4.870) 10.294 52.092 ( -1.599 -6.989 -0.185) 7.172 52.563 ( -0.389 2.959 0.393) 3.011 52.776 ( -0.272 1.689 0.167) 1.719 ======================= Grid point 8 (7/156) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -22.783 -2.722 -17.854) 29.073 2.363 ( -23.964 0.743 -14.093) 27.810 3.774 ( -0.786 -2.290 2.360) 3.381 3.890 ( 6.582 3.539 2.857) 8.001 4.237 ( -9.810 -1.410 3.294) 10.444 4.353 ( -25.319 11.863 -12.161) 30.491 5.007 ( -1.896 2.553 5.482) 6.338 5.378 ( 8.721 -1.495 8.369) 12.179 5.719 ( 0.744 -9.335 13.632) 16.538 5.962 ( 7.465 -0.481 0.876) 7.532 6.436 ( 3.146 6.994 -0.883) 7.720 6.486 ( 5.587 -0.655 3.023) 6.386 11.999 ( -10.773 1.833 -32.198) 34.001 13.284 ( -25.994 8.774 6.990) 28.311 14.535 ( 8.715 1.405 -1.842) 9.017 15.447 ( 1.584 -0.731 -1.460) 2.274 17.390 ( 6.947 -1.853 -1.155) 7.282 18.227 ( 6.360 -2.773 -14.108) 15.722 18.530 ( -12.229 15.254 25.495) 32.129 21.667 ( 3.674 -7.708 -24.938) 26.359 22.450 ( 7.057 -3.791 3.599) 8.782 23.643 ( -2.158 3.194 17.559) 17.977 24.469 ( -4.760 1.723 3.561) 6.189 24.589 ( 12.193 10.499 2.800) 16.332 25.138 ( -3.344 -6.491 0.664) 7.331 25.847 ( -15.117 -0.453 4.756) 15.854 26.565 ( 5.241 0.303 -6.654) 8.476 27.038 ( 11.389 -5.955 -10.533) 16.617 49.620 ( -4.264 1.169 -2.786) 5.226 49.869 ( 4.810 3.332 3.324) 6.730 50.240 ( -0.046 -5.667 4.525) 7.252 50.419 ( 3.046 0.345 -3.665) 4.778 50.981 ( 4.936 4.185 -6.583) 9.231 52.016 ( -2.607 -6.610 2.724) 7.609 52.476 ( -2.260 1.924 -2.404) 3.819 52.777 ( -0.785 1.558 1.490) 2.294 ======================= Grid point 9 (8/156) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -11.771 18.227 -17.094) 27.622 1.188 ( -11.304 27.385 -19.598) 35.521 2.144 ( -42.881 31.715 -26.240) 59.441 3.849 ( 0.317 -3.467 -0.693) 3.550 4.068 ( -0.021 -3.754 2.097) 4.300 4.242 ( -3.522 7.512 4.462) 9.420 5.104 ( 2.131 -2.837 3.323) 4.862 5.788 ( -7.453 0.606 4.009) 8.485 6.018 ( 4.670 2.868 23.069) 23.711 6.268 ( 5.447 -4.355 2.265) 7.332 6.540 ( -3.052 -2.928 2.425) 4.875 6.635 ( 3.525 2.440 4.905) 6.514 11.178 ( -0.391 17.910 -20.043) 26.882 12.171 ( -41.264 27.656 38.591) 62.903 14.828 ( 6.433 -6.983 -3.704) 10.191 15.606 ( 5.632 -5.972 -2.914) 8.711 17.147 ( 37.055 -39.530 -111.128) 123.633 18.654 ( 3.004 1.254 20.573) 20.829 18.671 ( -9.280 6.538 34.372) 36.198 21.541 ( 10.573 5.284 -18.680) 22.106 22.701 ( 3.607 -6.420 2.483) 7.771 23.760 ( -10.338 -4.344 8.051) 13.805 24.308 ( -22.697 27.249 46.486) 58.469 24.999 ( 2.544 -5.418 -1.439) 6.156 25.054 ( 2.518 -0.840 -1.818) 3.218 25.507 ( -2.131 2.013 7.000) 7.589 26.511 ( -0.433 0.702 -7.694) 7.738 27.238 ( 18.508 -19.222 -37.363) 45.913 49.454 ( 4.826 -5.036 -16.017) 17.470 50.057 ( 0.394 0.289 4.436) 4.463 50.421 ( -1.098 -0.951 0.791) 1.654 50.427 ( 4.736 -0.018 -1.813) 5.072 50.954 ( -1.025 -5.953 -2.356) 6.484 52.025 ( -2.329 5.585 10.258) 11.910 52.331 ( -2.123 2.760 -1.927) 3.980 52.762 ( -0.780 0.728 0.891) 1.390 ======================= Grid point 10 (9/156) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 33.938 0.090 0.000) 33.938 1.902 ( 21.871 21.145 0.000) 30.421 3.537 ( 29.227 43.256 -0.000) 52.204 3.812 ( -1.767 3.253 -0.000) 3.702 3.937 ( -6.384 -2.634 -0.000) 6.906 4.413 ( 0.500 -4.947 0.000) 4.972 5.072 ( -2.155 1.947 -0.000) 2.904 5.702 ( -27.897 -10.843 -0.000) 29.930 6.055 ( 6.689 -5.875 0.000) 8.903 6.075 ( -2.922 -4.487 0.000) 5.354 6.494 ( -2.619 -4.050 0.000) 4.823 6.575 ( 4.100 1.785 0.000) 4.471 11.482 ( 29.576 -1.648 0.000) 29.622 14.179 ( 14.506 33.325 -0.000) 36.346 14.420 ( -12.577 -7.419 -0.000) 14.602 14.758 ( -1.385 -1.777 0.000) 2.253 15.995 ( 5.686 8.178 -0.000) 9.961 18.907 ( 2.902 -5.690 0.000) 6.388 19.381 ( 5.872 14.298 -0.000) 15.457 21.240 ( 14.377 -18.900 0.000) 23.747 22.402 ( -12.790 -4.441 -0.000) 13.539 23.966 ( -0.996 11.529 -0.000) 11.572 24.579 ( -6.060 -15.994 0.000) 17.104 24.865 ( -9.886 1.935 -0.000) 10.074 25.372 ( -4.177 10.117 -0.000) 10.946 25.653 ( 5.667 -0.585 0.000) 5.697 26.459 ( 1.443 -0.750 0.000) 1.626 26.524 ( -0.078 0.222 -0.000) 0.235 49.453 ( 4.384 7.708 -0.000) 8.867 50.099 ( 1.772 -2.217 0.000) 2.838 50.230 ( -4.369 -1.654 -0.000) 4.672 50.555 ( 5.974 -1.826 0.000) 6.247 50.752 ( -11.361 0.896 -0.000) 11.397 52.012 ( -1.440 -6.812 0.000) 6.962 52.423 ( 3.945 2.493 0.000) 4.666 52.814 ( 1.235 1.480 -0.000) 1.927 ======================= Grid point 11 (10/156) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 23.065 5.979 -2.144) 23.924 3.097 ( 23.070 -10.732 8.691) 26.888 3.599 ( -1.600 0.986 -8.480) 8.686 3.854 ( -1.778 3.397 4.338) 5.789 4.077 ( -11.756 -11.116 -11.335) 19.755 4.603 ( -12.119 -17.478 3.189) 21.507 4.805 ( 7.664 13.740 6.690) 17.096 4.886 ( 3.236 1.909 1.611) 4.088 5.790 ( -9.587 -7.298 -0.230) 12.051 6.191 ( 7.148 6.707 -2.386) 10.088 6.444 ( -4.748 6.002 -0.934) 7.710 6.584 ( -3.471 7.402 -0.793) 8.214 13.032 ( 29.945 -4.314 8.745) 31.492 13.745 ( 3.132 4.215 -31.330) 31.767 14.134 ( -3.276 5.959 1.332) 6.929 15.212 ( -1.579 11.650 11.667) 16.563 16.514 ( -3.423 10.393 40.247) 41.708 18.714 ( -5.524 0.400 -12.155) 13.357 19.436 ( 9.707 10.172 -24.283) 28.060 21.874 ( 9.371 -17.425 -0.824) 19.802 21.931 ( -7.264 4.973 5.073) 10.160 23.947 ( -15.645 -6.207 -1.651) 16.911 24.092 ( 4.358 12.764 1.713) 13.596 24.728 ( -0.675 -1.320 -1.140) 1.870 24.987 ( -5.103 5.697 4.287) 8.768 26.122 ( 13.878 -6.251 -6.719) 16.638 26.433 ( -5.341 -0.214 2.802) 6.035 26.611 ( -0.666 -2.835 6.868) 7.460 49.517 ( -1.166 2.376 1.906) 3.262 50.110 ( -2.167 6.996 1.995) 7.591 50.254 ( -5.331 -3.956 -0.839) 6.691 50.299 ( 1.775 1.232 0.008) 2.161 50.809 ( 7.707 0.222 -2.965) 8.261 51.960 ( -2.232 -9.992 -0.116) 10.238 52.592 ( 2.497 3.435 1.407) 4.474 52.832 ( -0.229 2.359 -0.546) 2.432 ======================= Grid point 12 (11/156) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -18.697 -5.500 -17.815) 26.405 3.059 ( -10.984 6.433 -9.904) 16.129 3.603 ( 11.919 -1.315 5.073) 13.020 3.713 ( -5.790 -4.651 1.720) 7.624 4.058 ( 3.616 -4.820 2.030) 6.358 4.653 ( 9.737 -15.810 2.055) 18.681 4.875 ( 0.216 4.471 11.487) 12.328 5.197 ( -1.465 -14.815 8.786) 17.287 5.741 ( -19.930 12.772 -11.345) 26.250 5.948 ( 6.856 9.030 2.158) 11.541 6.375 ( 2.776 8.007 3.483) 9.162 6.555 ( 1.196 5.530 -0.156) 5.660 12.986 ( -3.617 9.143 -34.277) 35.660 13.551 ( -7.424 -3.218 -2.580) 8.493 14.563 ( 6.947 8.549 3.213) 11.475 15.274 ( -0.494 -4.481 9.928) 10.904 16.955 ( -4.850 8.211 32.164) 33.548 18.296 ( -12.515 6.770 12.543) 18.968 19.205 ( 6.144 11.950 -37.166) 39.520 21.800 ( 1.993 -11.830 -12.269) 17.160 22.197 ( 6.795 1.448 2.471) 7.374 23.442 ( -8.522 -2.895 12.986) 15.800 24.476 ( 10.957 1.715 -6.883) 13.053 24.657 ( -2.998 17.404 9.461) 20.035 24.996 ( -0.971 -8.296 2.220) 8.643 26.065 ( -12.915 -1.820 1.669) 13.149 26.528 ( 8.377 -1.559 -4.987) 9.873 26.796 ( 7.820 -6.761 -0.901) 10.377 49.613 ( 0.766 0.176 6.993) 7.037 49.902 ( -3.095 3.299 -0.952) 4.623 50.115 ( -1.550 -1.291 1.612) 2.582 50.477 ( 3.813 4.161 -3.780) 6.793 51.047 ( 6.468 -0.016 -7.529) 9.926 51.844 ( -2.573 -10.550 2.345) 11.110 52.616 ( -1.433 4.055 -1.166) 4.456 52.808 ( -0.913 2.190 1.182) 2.651 ======================= Grid point 13 (12/156) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -10.068 16.521 -15.907) 25.046 2.287 ( -9.274 23.468 -17.737) 30.845 3.617 ( -5.064 -1.485 3.026) 6.083 3.973 ( -10.090 7.272 -8.594) 15.118 4.087 ( -16.403 6.369 -8.714) 19.636 4.214 ( 2.738 3.352 6.448) 7.766 4.943 ( -1.948 -3.636 7.302) 8.386 5.371 ( 7.002 -13.659 9.987) 18.312 5.750 ( 5.094 2.870 13.055) 14.305 6.072 ( 4.284 -0.395 1.087) 4.437 6.452 ( -3.325 -0.245 1.744) 3.763 6.625 ( 1.270 2.429 1.278) 3.024 12.161 ( -0.766 24.905 -32.011) 40.565 12.906 ( -27.734 9.370 7.794) 30.294 14.617 ( 4.797 -7.498 -7.180) 11.436 15.428 ( 1.846 -4.233 2.499) 5.251 17.501 ( 6.768 -1.253 -2.016) 7.172 18.193 ( -5.162 0.080 22.623) 23.204 18.646 ( -6.219 8.013 -10.314) 14.466 21.742 ( 11.109 1.239 -15.934) 19.463 22.410 ( 3.406 -10.442 -1.336) 11.065 23.695 ( -1.691 3.354 16.681) 17.099 24.408 ( -7.175 3.345 5.594) 9.693 24.855 ( -1.790 -5.098 1.740) 5.676 25.068 ( 4.184 6.437 -0.300) 7.683 25.547 ( -7.867 0.825 2.916) 8.431 26.638 ( 2.165 -1.341 -6.999) 7.448 27.092 ( 10.829 -11.321 -12.252) 19.888 49.565 ( -1.584 -0.144 -3.513) 3.857 50.001 ( -0.541 1.951 3.270) 3.846 50.261 ( 9.578 -0.887 0.795) 9.652 50.452 ( -2.099 1.634 -0.488) 2.704 50.927 ( -3.615 -10.231 -7.082) 12.957 51.952 ( 3.514 0.980 4.127) 5.508 52.494 ( -2.132 3.839 -2.731) 5.171 52.784 ( -1.594 1.289 1.617) 2.611 ======================= Grid point 15 (13/156) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 27.660 -0.042 0.000) 27.660 2.702 ( 17.011 16.215 0.000) 23.501 3.744 ( -5.825 -2.626 -0.000) 6.390 3.868 ( 1.249 3.296 -0.000) 3.525 4.106 ( -8.157 -13.291 0.000) 15.594 4.667 ( -11.541 -1.282 -0.000) 11.612 4.948 ( 1.277 15.180 -0.000) 15.234 4.990 ( -8.430 -1.510 -0.000) 8.565 5.827 ( -8.244 -10.319 0.000) 13.208 6.119 ( 8.397 2.082 0.000) 8.651 6.543 ( 3.976 3.242 0.000) 5.130 6.684 ( 3.569 0.657 0.000) 3.629 12.064 ( 32.327 -4.706 0.000) 32.667 13.987 ( -16.811 -4.991 -0.000) 17.536 14.792 ( 2.928 4.705 -0.000) 5.541 15.145 ( 14.262 26.976 -0.000) 30.514 16.354 ( 5.572 16.159 -0.000) 17.093 18.750 ( 0.978 -14.132 0.000) 14.166 19.821 ( 3.648 18.327 -0.000) 18.686 21.115 ( 13.641 -22.383 0.000) 26.212 22.170 ( -6.518 4.037 -0.000) 7.667 24.049 ( -10.674 -18.486 0.000) 21.346 24.216 ( 3.445 9.027 -0.000) 9.662 24.717 ( -8.401 2.427 -0.000) 8.745 25.491 ( -4.798 11.479 -0.000) 12.441 25.797 ( 6.751 2.235 0.000) 7.111 26.449 ( -1.527 -1.247 -0.000) 1.971 26.485 ( 0.188 -3.800 0.000) 3.805 49.666 ( -2.596 8.471 -0.000) 8.859 50.068 ( 1.609 -5.324 0.000) 5.561 50.227 ( 6.124 2.705 0.000) 6.695 50.555 ( -12.169 5.314 -0.000) 13.279 50.624 ( 7.131 -4.868 0.000) 8.634 51.801 ( -3.432 -9.056 0.000) 9.685 52.573 ( 4.369 3.477 0.000) 5.584 52.871 ( 1.115 1.337 -0.000) 1.741 ======================= Grid point 16 (14/156) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -1.844 -9.279 -2.334) 9.744 3.177 ( 12.705 -6.588 1.868) 14.433 3.462 ( -9.712 -4.166 -10.242) 14.717 3.770 ( -10.530 -3.402 5.374) 12.302 3.916 ( 6.785 3.386 -2.402) 7.955 4.161 ( 9.610 -7.508 1.673) 12.309 4.687 ( -2.061 -3.264 1.611) 4.183 5.032 ( -11.720 -7.203 2.406) 13.965 5.879 ( 11.126 12.100 4.911) 17.155 6.422 ( -4.487 6.814 -5.046) 9.593 6.487 ( 1.041 5.943 -0.365) 6.044 6.643 ( -3.884 4.617 1.079) 6.129 13.228 ( -6.325 -7.945 1.369) 10.247 13.673 ( 19.897 -12.617 11.180) 26.078 14.507 ( 2.676 20.495 -24.170) 31.802 15.430 ( -4.563 8.157 -6.698) 11.498 16.763 ( -2.551 21.837 30.520) 37.614 18.505 ( -9.640 -6.026 -2.842) 11.718 19.834 ( 4.995 12.897 -15.192) 20.544 21.508 ( 4.210 -21.195 -0.394) 21.612 22.189 ( 5.426 11.336 0.226) 12.570 23.411 ( -16.122 -11.156 2.966) 19.828 24.444 ( 7.670 3.888 -4.620) 9.761 24.684 ( 3.112 -3.229 5.750) 7.292 25.130 ( -6.854 21.010 1.700) 22.165 26.217 ( -6.568 -2.153 0.113) 6.913 26.304 ( 9.631 -6.183 -1.798) 11.585 26.565 ( 2.852 -4.820 1.476) 5.792 49.550 ( -1.127 3.885 2.368) 4.688 50.000 ( -4.599 -4.881 -0.464) 6.722 50.203 ( -4.370 8.639 2.471) 9.992 50.542 ( 6.287 6.199 -2.352) 9.137 50.963 ( 10.262 -2.677 -3.488) 11.164 51.630 ( -5.488 -13.793 1.296) 14.901 52.713 ( 1.400 4.129 0.307) 4.371 52.862 ( -1.258 1.581 -0.110) 2.023 ======================= Grid point 17 (15/156) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -6.937 11.650 -10.793) 17.330 3.109 ( -2.470 11.757 -12.205) 17.126 3.433 ( -3.451 -7.917 5.932) 10.477 3.695 ( 7.509 -7.240 7.838) 13.047 4.104 ( -1.941 0.426 -1.957) 2.789 4.553 ( 9.159 -13.270 2.866) 16.377 4.835 ( 0.404 -3.585 4.612) 5.855 5.085 ( 4.190 0.130 5.402) 6.838 5.682 ( -11.262 12.630 -8.337) 18.864 6.159 ( -3.176 7.334 0.114) 7.993 6.490 ( -3.314 3.139 5.178) 6.902 6.613 ( -0.931 -0.890 1.853) 2.257 12.923 ( -7.993 -5.035 5.454) 10.909 13.520 ( -5.365 14.744 -32.615) 36.193 14.777 ( -1.001 4.008 -12.957) 13.600 15.137 ( 1.176 -5.877 15.841) 16.937 17.180 ( 1.276 15.662 25.201) 29.699 18.074 ( -17.461 1.792 20.485) 26.977 19.437 ( -3.643 6.112 -34.568) 35.293 21.647 ( 7.232 -10.962 -3.733) 13.653 22.283 ( 0.519 -1.973 -5.181) 5.568 23.350 ( 2.798 0.678 19.812) 20.020 24.496 ( -1.455 -4.964 -5.405) 7.481 24.879 ( 0.378 0.246 -3.646) 3.674 25.132 ( 3.940 17.013 5.645) 18.353 25.721 ( -12.545 -2.217 0.609) 12.754 26.610 ( 5.288 -4.454 -4.382) 8.186 26.820 ( 8.780 -7.979 -2.524) 12.129 49.605 ( -1.412 0.500 2.298) 2.743 49.985 ( 5.342 2.651 1.349) 6.114 50.132 ( -0.855 3.524 1.823) 4.059 50.591 ( -1.786 4.293 -2.396) 5.231 50.933 ( -4.895 -12.682 -9.552) 16.614 51.737 ( 7.442 -3.031 5.005) 9.467 52.663 ( -2.222 3.701 -1.986) 4.752 52.815 ( -1.899 1.234 1.763) 2.870 ======================= Grid point 18 (16/156) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -5.952 25.389 -7.434) 27.116 2.831 ( -2.430 30.305 -12.063) 32.708 3.588 ( 4.742 -2.287 -0.222) 5.270 3.894 ( -2.909 -1.562 0.022) 3.302 4.069 ( -10.503 23.613 -14.786) 29.774 4.313 ( 3.937 -0.608 6.109) 7.293 4.862 ( 1.146 -1.557 6.567) 6.846 5.256 ( 6.303 -9.169 3.021) 11.529 5.880 ( -0.086 2.929 9.465) 9.909 6.093 ( 4.679 -6.661 4.812) 9.456 6.323 ( -7.369 -1.416 0.810) 7.547 6.575 ( -2.452 -6.681 2.524) 7.551 12.569 ( -23.386 12.193 -5.701) 26.983 12.871 ( 8.129 29.915 -9.164) 32.325 14.464 ( 0.739 -10.982 -3.544) 11.564 15.378 ( 3.093 -4.576 -3.030) 6.300 17.470 ( 0.770 -11.219 -29.893) 31.939 18.226 ( -0.245 11.174 45.643) 46.991 18.513 ( -12.751 0.678 -6.570) 14.360 21.975 ( 0.157 -0.384 -12.337) 12.344 22.263 ( 9.130 -9.364 5.107) 14.040 23.687 ( -6.379 5.577 7.440) 11.276 24.279 ( -1.048 -6.184 7.667) 9.905 24.674 ( -6.033 -4.150 -4.799) 8.755 25.153 ( 3.832 0.509 -4.517) 5.946 25.758 ( 3.889 15.172 9.040) 18.084 26.587 ( -0.847 -4.631 -6.320) 7.881 27.028 ( 5.927 -11.151 -11.067) 16.791 49.560 ( 1.182 0.227 -5.009) 5.151 49.946 ( -6.115 -0.030 3.150) 6.879 50.322 ( -0.002 -3.046 -3.261) 4.462 50.560 ( 6.334 3.597 1.817) 7.507 50.637 ( -1.735 -8.928 -2.151) 9.346 52.086 ( 4.027 2.070 3.008) 5.436 52.520 ( -2.580 2.765 -2.390) 4.474 52.769 ( -1.332 0.530 1.560) 2.118 ======================= Grid point 19 (17/156) ======================= q-point: ( 0.00 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -11.347 28.871 -10.459) 32.737 2.164 ( 6.896 26.733 -6.843) 28.444 3.812 ( 1.936 -3.229 1.220) 3.957 3.922 ( 6.016 13.177 0.951) 14.517 4.103 ( 12.542 23.687 -9.053) 28.291 4.343 ( -5.880 1.046 3.618) 6.983 5.092 ( 3.075 2.393 3.021) 4.930 5.516 ( 0.938 -12.087 5.086) 13.147 5.954 ( -7.960 -3.726 10.254) 13.505 5.996 ( -5.575 -8.876 3.428) 11.027 6.415 ( 6.754 -5.426 -1.164) 8.741 6.497 ( -1.130 -5.353 -1.897) 5.791 11.525 ( -3.573 14.840 -17.348) 23.107 13.660 ( 15.100 26.543 33.425) 45.274 14.502 ( -2.225 -6.195 -1.476) 6.746 15.291 ( 2.743 -4.673 -18.968) 19.727 16.532 ( 5.969 -0.940 -54.532) 54.865 18.491 ( -2.058 -7.262 22.501) 23.733 19.201 ( 8.661 14.371 33.289) 37.279 21.166 ( -7.037 -5.295 -26.256) 27.694 22.501 ( -6.599 -4.896 1.832) 8.418 23.942 ( 4.756 -0.056 13.393) 14.212 24.380 ( -2.457 -12.088 -6.862) 14.115 24.818 ( 15.329 -2.162 13.833) 20.761 25.137 ( -6.254 3.366 -0.519) 7.121 25.985 ( -3.677 15.498 10.120) 18.871 26.455 ( 1.202 -3.602 -4.635) 5.992 26.757 ( -4.397 -6.142 -18.285) 19.784 49.557 ( 4.650 7.380 -3.019) 9.230 49.937 ( 2.315 -4.450 3.087) 5.890 50.332 ( -8.549 0.095 3.535) 9.251 50.369 ( 3.837 -2.769 -0.595) 4.769 50.872 ( 2.424 -5.095 -4.633) 7.301 52.044 ( -7.672 0.180 0.380) 7.683 52.434 ( 2.105 2.790 -1.827) 3.944 52.798 ( 1.488 0.499 0.711) 1.723 ======================= Grid point 20 (18/156) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 17.700 0.155 0.000) 17.701 3.075 ( -0.527 -0.913 0.000) 1.054 3.612 ( -8.202 -4.306 -0.000) 9.263 3.779 ( -10.860 -14.871 0.000) 18.414 3.852 ( 8.991 3.860 0.000) 9.785 4.101 ( -5.640 5.563 -0.000) 7.922 4.738 ( -8.346 -3.705 -0.000) 9.131 5.152 ( -14.046 -8.556 -0.000) 16.446 5.899 ( 10.514 16.612 -0.000) 19.660 6.338 ( 7.500 -0.242 0.000) 7.504 6.670 ( 1.457 3.001 -0.000) 3.336 6.734 ( 1.715 -1.078 0.000) 2.026 12.595 ( 30.680 -6.484 0.000) 31.357 13.532 ( -22.304 -0.098 -0.000) 22.304 15.079 ( 8.242 11.059 -0.000) 13.793 15.653 ( 3.233 2.787 0.000) 4.269 16.950 ( 6.368 29.807 -0.000) 30.480 18.353 ( -2.350 -23.169 0.000) 23.288 20.256 ( -0.411 20.102 -0.000) 20.107 20.889 ( 8.680 -21.032 0.000) 22.753 22.323 ( 5.347 10.876 -0.000) 12.120 23.411 ( -13.188 -18.795 0.000) 22.960 24.436 ( 5.126 3.176 0.000) 6.030 24.623 ( -6.256 2.824 -0.000) 6.864 25.686 ( -1.228 13.920 -0.000) 13.974 26.012 ( 6.736 4.768 0.000) 8.253 26.288 ( -2.663 -9.300 0.000) 9.674 26.404 ( -2.744 -2.765 0.000) 3.896 49.709 ( -4.879 5.914 -0.000) 7.667 49.929 ( -1.141 -7.525 0.000) 7.611 50.512 ( -7.394 9.247 -0.000) 11.839 50.557 ( 7.909 7.581 0.000) 10.956 50.661 ( 11.645 -5.713 0.000) 12.971 51.490 ( -7.365 -10.573 0.000) 12.885 52.731 ( 3.671 3.509 0.000) 5.078 52.897 ( -0.096 -0.164 0.000) 0.190 ======================= Grid point 21 (19/156) ======================= q-point: ( 0.00 -0.80 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -1.669 -2.046 -1.623) 3.099 3.071 ( -1.502 -8.851 7.527) 11.716 3.320 ( 1.712 0.300 -9.962) 10.112 3.628 ( 3.088 0.004 4.327) 5.316 4.134 ( 2.781 0.032 -4.553) 5.335 4.237 ( -1.279 -6.423 -0.533) 6.571 4.678 ( 2.090 -0.767 0.967) 2.427 4.768 ( 8.939 2.280 4.059) 10.079 6.231 ( 1.328 6.033 2.190) 6.554 6.403 ( -8.063 5.009 -5.128) 10.789 6.535 ( -2.694 -2.322 1.807) 3.990 6.630 ( -5.589 5.150 1.301) 7.711 12.763 ( -17.403 -7.684 12.147) 22.571 13.902 ( 21.200 -10.650 5.461) 24.345 14.962 ( -1.658 17.229 -20.007) 26.455 15.297 ( -8.569 -1.047 -11.907) 14.708 17.279 ( 0.038 27.927 13.900) 31.195 18.063 ( -14.529 -12.518 8.942) 21.160 20.121 ( -2.426 10.872 -13.200) 17.273 21.179 ( 5.186 -19.888 3.338) 20.823 22.524 ( -1.694 8.770 -8.270) 12.172 22.966 ( -1.013 -5.439 11.537) 12.795 24.499 ( -0.535 -2.251 -1.983) 3.048 24.766 ( 8.502 -2.660 0.077) 8.908 25.527 ( -2.624 22.937 -0.072) 23.087 25.915 ( -12.717 -2.862 1.094) 13.081 26.419 ( 8.410 -5.501 -2.619) 10.385 26.519 ( 6.614 -7.996 1.061) 10.431 49.636 ( -0.195 5.397 1.103) 5.512 49.895 ( 2.190 -2.575 -0.076) 3.381 50.290 ( -4.616 8.416 1.705) 9.749 50.703 ( 1.468 1.541 -0.691) 2.238 50.999 ( -6.373 -9.157 -8.643) 14.113 51.350 ( 9.366 -5.562 6.399) 12.633 52.798 ( -1.461 2.508 -1.079) 3.097 52.841 ( -1.490 0.466 1.062) 1.888 ======================= Grid point 22 (20/156) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( -2.740 17.815 -5.010) 18.708 3.273 ( 1.822 -3.793 8.134) 9.158 3.425 ( 11.289 -1.424 -4.525) 12.245 3.723 ( 5.486 3.246 1.276) 6.501 3.914 ( -6.282 -6.094 1.228) 8.838 4.568 ( 12.506 -3.798 4.538) 13.835 4.977 ( 7.432 5.899 -5.663) 11.050 5.163 ( -3.435 6.141 -4.166) 8.178 5.762 ( -0.854 6.120 -2.329) 6.603 6.136 ( -9.813 3.439 -0.143) 10.400 6.351 ( -6.877 -7.280 4.042) 10.800 6.473 ( -7.204 -2.449 5.571) 9.430 12.627 ( -4.536 -8.458 16.616) 19.188 13.739 ( -1.851 10.775 -26.694) 28.846 14.625 ( -13.096 -0.656 -7.971) 15.346 15.236 ( 8.328 2.872 3.252) 9.391 17.499 ( -1.432 4.945 6.272) 8.114 17.744 ( -12.585 6.361 36.270) 38.915 19.296 ( -12.753 -1.682 -36.170) 38.389 21.647 ( 10.566 -8.186 12.156) 18.067 22.198 ( -1.651 -2.108 -7.952) 8.391 23.532 ( 6.742 5.247 16.812) 18.858 24.286 ( -7.526 -4.744 -6.037) 10.751 24.922 ( -4.985 1.086 -8.857) 10.221 25.165 ( -1.475 -4.155 -4.627) 6.391 25.845 ( 3.644 16.806 7.586) 18.796 26.557 ( 1.429 -7.349 -4.121) 8.546 26.819 ( 6.737 -7.443 -1.892) 10.216 49.618 ( 0.467 1.914 -2.751) 3.384 50.101 ( -7.370 5.121 3.269) 9.551 50.217 ( 9.026 -2.331 0.164) 9.324 50.447 ( -5.397 -10.156 -7.469) 13.713 50.688 ( -3.158 2.921 2.399) 4.926 51.902 ( 9.916 -0.591 3.112) 10.410 52.652 ( -3.370 0.408 -1.155) 3.585 52.794 ( -2.184 1.249 1.273) 2.820 ======================= Grid point 24 (21/156) ======================= q-point: ( 0.00 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -1.464 23.005 -9.450) 24.913 2.831 ( 9.398 19.152 -2.457) 21.475 3.743 ( -2.680 -10.452 1.941) 10.963 3.785 ( 1.766 -3.517 1.546) 4.229 4.099 ( -11.703 -4.326 0.942) 12.513 4.827 ( -15.891 -9.423 4.681) 19.058 5.136 ( -1.375 6.922 0.634) 7.086 5.308 ( 0.862 17.249 -4.494) 17.846 5.616 ( -1.598 -8.996 7.716) 11.959 5.999 ( 7.943 0.471 0.276) 7.962 6.453 ( 6.475 -4.695 -0.842) 8.042 6.486 ( 8.908 -4.492 -1.293) 10.060 11.844 ( 9.456 9.320 -17.823) 22.224 14.132 ( -2.802 5.997 20.993) 22.012 14.493 ( 4.591 6.151 3.265) 8.341 15.409 ( 7.393 1.088 -7.745) 10.763 16.827 ( 13.902 9.464 -35.401) 39.192 18.231 ( -0.560 -15.680 14.730) 21.521 19.695 ( 12.065 11.702 30.923) 35.195 21.002 ( -3.215 -1.320 -26.348) 26.576 22.304 ( -4.458 -0.707 2.110) 4.982 23.779 ( -5.685 -14.250 2.518) 15.547 24.286 ( 3.773 1.011 -0.506) 3.939 25.025 ( -10.435 4.103 -0.008) 11.213 25.111 ( 16.550 -1.528 9.735) 19.261 26.190 ( -5.753 13.557 5.417) 15.692 26.357 ( -0.146 -8.704 -3.461) 9.368 26.595 ( -4.142 -0.065 -8.549) 9.500 49.869 ( 1.422 1.296 3.739) 4.205 49.884 ( 4.772 4.143 0.353) 6.329 50.184 ( -2.831 0.238 1.544) 3.234 50.392 ( 4.230 -3.438 0.360) 5.463 50.791 ( -1.125 -3.054 -4.717) 5.731 51.846 ( -10.058 -1.287 -1.589) 10.264 52.565 ( 4.159 3.213 -1.078) 5.365 52.840 ( 2.134 -0.338 0.439) 2.205 ======================= Grid point 25 (22/156) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 153 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -6.482 -2.714 -0.000) 7.027 2.910 ( 6.482 2.714 0.000) 7.027 3.448 ( 0.627 -1.984 0.000) 2.081 3.448 ( -0.627 1.984 -0.000) 2.081 4.173 ( -2.200 -1.526 -0.000) 2.677 4.173 ( 2.200 1.526 0.000) 2.677 4.679 ( -8.413 -5.701 -0.000) 10.163 4.679 ( 8.413 5.701 0.000) 10.163 6.315 ( -1.623 -9.235 0.000) 9.376 6.315 ( 1.623 9.235 -0.000) 9.376 6.725 ( 0.681 -1.946 0.000) 2.062 6.725 ( -0.681 1.946 -0.000) 2.062 13.071 ( -27.219 4.658 -0.000) 27.615 13.071 ( 27.219 -4.658 0.000) 27.615 15.492 ( -7.280 -10.421 0.000) 12.711 15.492 ( 7.280 10.421 -0.000) 12.711 17.717 ( -5.578 -30.109 0.000) 30.622 17.717 ( 5.578 30.109 -0.000) 30.622 20.613 ( 5.095 -20.152 0.000) 20.786 20.613 ( -5.095 20.152 -0.000) 20.786 22.785 ( -11.603 -16.096 0.000) 19.842 22.785 ( 11.603 16.096 -0.000) 19.842 24.555 ( -5.310 1.445 -0.000) 5.503 24.555 ( 5.310 -1.445 0.000) 5.503 25.992 ( -2.131 -13.793 0.000) 13.957 25.992 ( 2.131 13.793 -0.000) 13.957 26.242 ( -5.550 -4.554 -0.000) 7.179 26.242 ( 5.550 4.554 0.000) 7.179 49.773 ( 0.800 -6.425 0.000) 6.475 49.773 ( -0.800 6.425 -0.000) 6.475 50.575 ( 5.163 -8.378 0.000) 9.841 50.575 ( -5.163 8.378 -0.000) 9.841 51.070 ( -12.087 -10.412 -0.000) 15.953 51.070 ( 12.087 10.412 0.000) 15.953 52.852 ( -2.020 -2.212 0.000) 2.995 52.852 ( 2.020 2.212 -0.000) 2.995 ======================= Grid point 27 (23/156) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -2.211 -16.496 6.576) 17.895 3.098 ( 3.386 2.380 1.416) 4.374 3.535 ( 2.090 10.374 -8.299) 13.448 3.752 ( 2.601 -0.057 1.502) 3.004 3.884 ( -2.942 -4.345 6.011) 7.979 4.266 ( 13.342 3.092 -6.017) 14.959 4.933 ( 13.225 1.630 4.093) 13.940 5.133 ( 10.115 10.315 -6.844) 15.986 6.084 ( -10.310 -16.039 2.230) 19.197 6.203 ( -8.183 -0.724 -0.186) 8.217 6.490 ( -7.871 7.100 -1.485) 10.703 6.583 ( -7.605 3.435 2.149) 8.617 12.270 ( -15.962 -6.559 16.686) 24.005 14.070 ( 13.405 -7.465 -4.018) 15.861 14.804 ( -11.247 -6.193 -10.721) 16.727 15.423 ( -2.128 10.616 -7.670) 13.269 17.429 ( -16.921 -15.415 20.175) 30.512 17.823 ( -0.148 23.440 -1.258) 23.474 20.095 ( -11.149 -1.069 -24.284) 26.742 20.976 ( 5.950 -9.376 18.204) 21.323 22.354 ( -5.522 -4.463 -3.877) 8.089 23.294 ( 10.610 14.391 5.653) 18.752 24.408 ( -3.207 -2.479 -2.135) 4.581 24.888 ( 9.784 -3.476 -0.660) 10.405 25.462 ( -16.160 -1.917 -6.832) 17.649 26.037 ( 1.113 17.206 4.008) 17.702 26.359 ( 6.512 -12.524 -2.722) 14.376 26.549 ( 5.509 -3.545 2.685) 7.080 49.754 ( 0.117 6.127 -2.748) 6.716 49.955 ( 7.784 -3.495 0.709) 8.562 50.336 ( -8.430 7.000 2.707) 11.287 50.518 ( -9.589 -11.757 -5.742) 16.222 50.737 ( 0.267 0.512 2.367) 2.436 51.589 ( 12.347 1.129 2.568) 12.661 52.714 ( -4.216 -2.370 0.278) 4.845 52.858 ( -1.462 1.780 -0.051) 2.304 ======================= Grid point 28 (24/156) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -0.420 -9.473 2.510) 9.809 3.216 ( 3.125 -5.275 3.590) 7.105 3.457 ( 8.276 -6.315 4.375) 11.292 3.788 ( 0.617 0.355 1.887) 2.017 4.067 ( 0.960 14.238 -6.045) 15.498 4.865 ( 9.554 5.595 0.636) 11.090 5.104 ( -1.585 -4.048 -10.425) 11.295 5.387 ( 6.115 16.110 -3.041) 17.498 5.754 ( -12.044 -18.650 4.718) 22.697 5.864 ( 5.938 -2.907 -0.722) 6.650 6.104 ( -8.438 5.433 -0.355) 10.042 6.311 ( -8.832 3.405 4.272) 10.385 12.435 ( 4.366 -9.716 15.466) 18.779 13.841 ( -0.395 -0.294 -13.479) 13.488 14.350 ( -11.417 0.713 -4.923) 12.453 15.423 ( 1.881 2.082 2.243) 3.592 17.252 ( -10.067 -0.936 19.433) 21.906 17.959 ( 4.613 9.308 17.602) 20.439 18.937 ( -12.269 -6.540 -38.644) 41.069 21.694 ( 8.119 -5.698 21.769) 23.923 22.210 ( 1.425 3.267 -9.665) 10.301 23.761 ( 5.404 1.942 5.711) 8.099 24.065 ( -10.143 3.992 -3.129) 11.340 24.670 ( -8.631 -4.120 -9.850) 13.729 25.238 ( 6.328 -0.779 -1.600) 6.573 26.220 ( 2.049 12.190 5.828) 13.666 26.382 ( -1.100 -9.500 -4.410) 10.531 26.817 ( 3.879 -2.378 1.475) 4.783 49.691 ( 1.235 2.953 -4.212) 5.290 49.871 ( -9.730 -4.449 0.907) 10.737 50.301 ( -0.908 0.380 -0.559) 1.132 50.345 ( 9.065 -4.782 -3.133) 10.717 50.725 ( -4.213 6.334 5.363) 9.307 52.079 ( 7.519 -0.330 1.245) 7.629 52.562 ( -2.947 -1.671 0.472) 3.421 52.777 ( -1.687 0.857 0.027) 1.893 ======================= Grid point 51 (25/156) ======================= q-point: ( 0.05 -0.05 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -33.391 -0.100 -0.000) 33.391 0.772 ( -37.256 -30.728 -0.000) 48.293 1.234 ( -59.242 19.034 -0.000) 62.225 3.871 ( 1.344 2.720 -0.000) 3.034 4.136 ( 0.795 2.129 -0.000) 2.273 4.202 ( -5.482 -2.198 -0.000) 5.907 5.161 ( 2.726 0.127 0.000) 2.729 5.663 ( 1.721 -0.229 0.000) 1.736 6.381 ( 3.627 1.277 0.000) 3.845 6.416 ( 0.363 -1.385 0.000) 1.432 6.608 ( 6.253 2.838 0.000) 6.867 6.735 ( 2.254 -3.554 0.000) 4.209 10.910 ( -12.248 -9.813 -0.000) 15.694 13.134 ( -11.084 7.417 -0.000) 13.337 14.851 ( 6.847 1.491 0.000) 7.007 14.886 ( 3.065 -1.329 0.000) 3.341 15.750 ( -2.814 0.069 -0.000) 2.815 18.894 ( -0.632 -1.395 0.000) 1.531 18.960 ( -7.180 1.393 -0.000) 7.313 21.357 ( 3.016 -10.214 0.000) 10.650 22.783 ( 3.209 0.140 0.000) 3.212 23.871 ( 0.179 7.673 -0.000) 7.675 24.971 ( 9.912 -1.398 0.000) 10.010 25.024 ( 7.683 1.990 0.000) 7.937 25.085 ( -0.731 1.538 -0.000) 1.703 25.711 ( -11.565 -0.475 -0.000) 11.575 26.412 ( -0.869 -0.347 -0.000) 0.935 26.504 ( -0.417 0.212 -0.000) 0.468 49.213 ( -3.353 0.094 -0.000) 3.355 50.096 ( 1.912 -0.860 0.000) 2.096 50.408 ( 2.465 2.250 0.000) 3.338 50.447 ( -1.242 -2.414 0.000) 2.715 50.962 ( 3.318 3.052 0.000) 4.508 52.193 ( 1.252 -1.506 0.000) 1.959 52.293 ( -2.602 -0.649 -0.000) 2.682 52.762 ( -0.618 0.016 -0.000) 0.618 ======================= Grid point 52 (26/156) ======================= q-point: ( 0.05 0.15 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 21.827 -2.753 19.190) 29.193 1.026 ( 29.841 14.991 21.290) 39.604 1.663 ( 44.606 -7.682 36.929) 58.416 3.878 ( -1.894 -1.533 1.113) 2.679 4.098 ( -0.617 -2.826 -4.302) 5.184 4.167 ( 5.845 2.979 -3.523) 7.447 5.133 ( -3.400 -0.173 -3.178) 4.657 5.658 ( -2.161 -1.168 -1.280) 2.770 6.052 ( 10.796 1.804 -25.056) 27.342 6.352 ( -2.855 0.991 -2.221) 3.751 6.495 ( 5.333 -2.466 -5.703) 8.188 6.651 ( 0.304 1.805 -7.471) 7.692 11.098 ( 11.201 9.581 19.460) 24.412 11.716 ( 50.120 -8.231 -27.705) 57.856 14.899 ( -7.133 -0.132 3.691) 8.033 15.663 ( -5.522 -0.083 0.261) 5.528 17.749 ( -87.682 -1.541 106.822) 138.208 18.567 ( 5.863 -0.843 -35.717) 36.205 18.699 ( -9.507 1.555 -5.832) 11.262 21.579 ( -2.395 8.309 19.967) 21.759 22.756 ( -1.321 -1.292 -4.514) 4.877 23.679 ( 22.650 -16.062 -28.895) 40.074 23.931 ( 36.954 10.444 -32.387) 50.236 25.004 ( -9.225 -0.172 2.132) 9.470 25.112 ( 0.789 -0.068 2.263) 2.397 25.502 ( 5.498 -0.032 -9.520) 10.993 26.502 ( 0.322 0.073 8.532) 8.538 27.512 ( -36.074 -0.337 36.620) 51.405 49.560 ( -17.666 -0.061 21.903) 28.139 50.042 ( -1.669 0.347 -4.673) 4.974 50.389 ( -1.663 0.694 -2.278) 2.905 50.491 ( -1.061 0.560 5.603) 5.730 50.972 ( -3.141 -3.380 1.110) 4.746 51.955 ( 17.078 1.698 -16.256) 23.639 52.304 ( 2.607 0.157 1.992) 3.285 52.753 ( 0.618 -0.012 -0.909) 1.099 ======================= Grid point 53 (27/156) ======================= q-point: ( 0.05 0.35 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 24.844 -0.118 10.316) 26.901 2.601 ( 28.254 17.205 15.423) 36.499 3.734 ( -4.804 -7.425 2.429) 9.171 3.843 ( 6.317 1.048 -1.222) 6.519 4.047 ( 27.352 -7.818 12.638) 31.128 4.355 ( 1.898 1.170 -5.549) 5.980 4.919 ( -0.154 -4.444 -5.692) 7.223 5.347 ( -6.469 -3.124 -5.267) 8.908 5.856 ( 0.921 2.549 -11.348) 11.667 6.064 ( -7.262 8.275 -6.420) 12.744 6.295 ( -4.350 -5.829 1.700) 7.469 6.525 ( -7.872 2.469 -3.631) 9.014 12.148 ( 14.225 15.551 21.337) 29.991 13.073 ( 29.571 -10.900 1.850) 31.570 14.495 ( -12.187 -2.104 -0.169) 12.368 15.437 ( -3.744 -1.926 4.208) 5.953 17.448 ( -11.155 2.806 14.067) 18.171 18.289 ( 14.431 -7.337 -42.484) 45.464 18.320 ( -7.056 6.417 18.574) 20.880 21.853 ( -3.709 9.299 22.064) 24.229 22.444 ( -7.562 -5.228 -8.395) 12.449 23.601 ( 4.877 0.570 -10.844) 11.904 24.327 ( 0.200 -6.055 -12.594) 13.975 24.574 ( -8.353 3.513 7.426) 11.715 25.207 ( 2.775 -0.109 0.995) 2.950 25.824 ( 15.028 -2.390 -7.503) 16.966 26.568 ( -5.292 0.684 7.144) 8.917 27.099 ( -12.467 -0.413 11.003) 16.633 49.595 ( 1.214 -1.656 6.367) 6.690 49.850 ( -2.692 2.177 -4.379) 5.582 50.310 ( -0.179 1.074 -0.979) 1.464 50.484 ( -2.686 6.046 1.203) 6.724 50.817 ( -5.478 -10.762 3.719) 12.636 52.113 ( 3.435 1.815 -3.204) 5.036 52.472 ( 2.291 1.543 2.386) 3.650 52.757 ( 0.536 -0.263 -1.568) 1.678 ======================= Grid point 54 (28/156) ======================= q-point: ( 0.05 -0.45 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -7.353 -1.409 2.195) 7.802 3.247 ( 3.716 -0.688 1.139) 3.947 3.714 ( -17.809 -12.374 -7.688) 23.008 3.804 ( 2.660 -0.122 -0.603) 2.730 3.960 ( 14.621 9.015 9.996) 19.874 4.919 ( 6.325 2.355 -7.373) 9.996 5.052 ( -3.850 3.987 4.622) 7.217 5.501 ( -19.895 12.095 -4.823) 23.777 5.575 ( 14.760 -10.978 2.571) 18.574 5.985 ( 7.145 0.193 0.402) 7.159 6.009 ( 0.482 -0.921 1.056) 1.482 6.199 ( -0.711 -2.042 -1.025) 2.393 12.603 ( -7.004 -10.640 3.927) 13.330 13.804 ( -2.891 3.413 6.261) 7.695 14.191 ( 1.215 2.719 2.784) 4.077 15.415 ( -0.768 2.514 -8.115) 8.530 17.080 ( 5.277 5.916 -31.654) 32.631 18.115 ( 8.642 -10.094 -13.149) 18.694 18.770 ( -9.796 3.732 46.900) 48.057 21.839 ( -4.760 -5.969 -18.540) 20.051 22.214 ( 2.762 2.052 12.636) 13.096 23.827 ( 12.436 2.506 -7.166) 14.570 23.918 ( -7.278 -1.180 2.226) 7.701 24.559 ( -2.197 2.519 6.083) 6.941 25.295 ( -0.186 1.394 -1.019) 1.737 26.259 ( 10.573 -2.082 -4.921) 11.847 26.360 ( -10.073 0.900 5.726) 11.622 26.855 ( -2.144 0.406 -2.250) 3.134 49.680 ( -1.634 4.609 -2.582) 5.530 49.771 ( 1.863 -2.629 2.081) 3.836 50.294 ( -1.475 -0.317 1.023) 1.823 50.435 ( 1.857 2.835 -0.058) 3.390 50.701 ( -1.980 -4.198 0.511) 4.670 52.165 ( 0.635 -0.360 -0.354) 0.812 52.528 ( -0.631 -0.030 -0.543) 0.833 52.758 ( 0.574 0.051 -0.119) 0.588 ======================= Grid point 55 (29/156) ======================= q-point: ( 0.05 -0.25 -0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -29.417 -2.270 -0.836) 29.517 2.349 ( -31.442 -22.829 -10.663) 40.292 3.580 ( -30.239 15.531 -11.626) 35.927 3.798 ( -8.783 1.865 -1.277) 9.069 4.003 ( 3.053 3.356 2.316) 5.094 4.447 ( -3.481 -3.513 3.844) 6.264 5.011 ( 0.586 3.876 3.518) 5.267 5.412 ( 9.389 5.666 1.775) 11.109 6.064 ( 6.603 -0.287 9.305) 11.413 6.168 ( 3.751 -10.408 4.534) 11.957 6.283 ( 8.224 5.541 1.070) 9.974 6.542 ( 8.724 -2.119 -2.146) 9.230 11.843 ( -21.864 -25.060 -10.865) 34.986 13.332 ( -30.026 14.914 29.880) 44.909 14.490 ( 9.474 3.126 -0.462) 9.987 15.241 ( 8.999 2.281 -21.017) 22.976 16.439 ( 4.891 2.525 -57.809) 58.070 18.583 ( 4.966 -6.691 20.246) 21.893 19.073 ( -14.192 3.807 35.813) 38.711 21.415 ( 4.285 -15.778 -22.546) 27.850 22.564 ( 5.119 2.142 4.296) 7.017 23.788 ( -2.208 8.171 8.643) 12.097 24.409 ( 17.481 0.160 -5.490) 18.324 24.629 ( -2.076 1.549 13.332) 13.581 25.176 ( -2.546 2.735 -1.914) 4.198 26.012 ( -14.270 0.887 12.576) 19.042 26.451 ( 3.310 -0.965 -4.854) 5.954 26.801 ( 6.901 0.558 -19.697) 20.879 49.484 ( -4.424 2.292 -4.798) 6.917 49.927 ( 3.310 -1.730 3.463) 5.093 50.300 ( 2.518 2.641 -1.652) 4.006 50.508 ( -1.983 -7.809 3.009) 8.601 50.754 ( 6.357 8.045 -2.712) 10.606 52.158 ( -1.056 -2.140 1.527) 2.833 52.428 ( -2.518 -1.559 -2.100) 3.631 52.779 ( -0.249 0.227 0.758) 0.830 ======================= Grid point 57 (30/156) ======================= q-point: ( 0.05 0.15 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 29.861 8.831 2.169) 31.215 1.878 ( 37.121 -2.085 14.752) 39.999 2.857 ( 36.516 32.358 19.554) 52.563 3.781 ( -2.715 -0.779 0.914) 2.969 3.993 ( -3.512 -2.550 -1.792) 4.696 4.392 ( 6.137 1.715 -4.339) 7.709 5.029 ( -3.979 -0.887 -3.696) 5.503 5.615 ( -13.422 3.902 -7.262) 15.751 6.076 ( -0.966 -5.384 -12.734) 13.859 6.224 ( -0.310 -7.484 -0.460) 7.504 6.445 ( -5.019 3.133 -4.955) 7.717 6.656 ( -1.393 -2.478 1.667) 3.296 11.695 ( 29.769 2.325 18.151) 34.943 12.716 ( 24.912 24.517 -40.994) 53.872 14.630 ( -11.536 -5.884 3.732) 13.477 15.421 ( -10.985 -3.672 13.436) 17.739 16.600 ( -14.111 -3.858 79.549) 80.883 18.716 ( 3.238 -0.193 -23.145) 23.371 18.831 ( 9.187 8.799 -32.786) 35.168 21.666 ( 5.018 -3.440 14.855) 16.053 22.525 ( -9.557 -8.997 -2.801) 13.421 23.716 ( -0.011 7.332 -3.631) 8.182 24.611 ( 2.548 4.076 -24.381) 24.850 24.784 ( -11.066 4.501 0.744) 11.969 25.070 ( -0.267 -1.967 2.968) 3.570 25.658 ( 12.505 -4.174 -10.297) 16.728 26.517 ( -0.374 1.154 5.838) 5.963 26.916 ( -11.473 -7.268 27.625) 30.783 49.423 ( 1.306 1.153 7.984) 8.172 50.041 ( -1.567 2.544 -4.436) 5.348 50.330 ( -4.291 -1.919 4.099) 6.236 50.514 ( 4.881 -0.917 -3.367) 6.000 50.788 ( -9.239 -0.938 2.191) 9.542 52.104 ( 2.112 -3.514 -3.804) 5.593 52.404 ( 3.828 1.841 2.036) 4.710 52.779 ( 0.807 1.057 -0.856) 1.582 ======================= Grid point 58 (31/156) ======================= q-point: ( 0.05 0.35 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 22.875 5.551 3.271) 23.765 3.384 ( 14.907 5.309 0.493) 15.832 3.485 ( 1.236 -6.143 4.039) 7.455 3.852 ( -2.059 1.047 -0.511) 2.366 4.050 ( -13.717 -10.192 -11.775) 20.753 4.724 ( 25.740 5.406 13.832) 29.717 4.863 ( 2.404 -3.912 -4.838) 6.670 5.083 ( -6.974 -10.956 5.262) 14.012 5.930 ( -9.009 -3.559 -0.039) 9.687 5.957 ( 4.527 5.015 -6.513) 9.384 6.287 ( -4.795 6.714 -2.208) 8.541 6.384 ( -8.642 7.735 -2.879) 11.950 12.753 ( 6.016 16.935 -11.381) 21.272 13.423 ( 21.836 -6.951 6.450) 23.806 14.290 ( -5.489 3.067 4.701) 7.851 15.318 ( -0.886 -3.739 7.567) 8.487 17.236 ( -11.164 1.512 35.598) 37.338 18.391 ( 2.614 1.077 -20.589) 20.782 18.600 ( 8.018 14.292 -22.011) 27.442 21.946 ( -1.983 5.903 14.106) 15.419 22.127 ( -3.517 -12.715 -11.703) 17.635 23.836 ( 8.533 5.633 -6.077) 11.894 24.051 ( -13.481 -0.711 1.945) 13.639 24.613 ( -2.610 6.623 2.908) 7.690 25.173 ( 1.236 -6.729 4.263) 8.061 26.070 ( 14.539 -3.268 -8.054) 16.939 26.471 ( -6.629 1.637 4.249) 8.042 26.851 ( -5.891 -4.354 7.317) 10.354 49.573 ( 0.986 -1.888 4.079) 4.601 49.943 ( -1.124 8.828 -1.263) 8.989 50.278 ( -0.477 -0.393 1.748) 1.854 50.437 ( -8.105 -7.682 1.768) 11.307 50.684 ( 6.217 3.552 -4.048) 8.225 52.107 ( 0.116 -5.616 -1.464) 5.805 52.559 ( 0.968 3.066 1.725) 3.649 52.776 ( 0.188 1.473 -0.970) 1.774 ======================= Grid point 59 (32/156) ======================= q-point: ( 0.05 -0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -22.641 -2.541 -10.807) 25.216 2.850 ( -22.956 -6.786 -11.515) 26.564 3.634 ( 12.505 3.884 2.980) 13.429 3.807 ( 1.232 -2.801 1.741) 3.520 4.263 ( 4.175 -6.087 3.612) 8.218 4.888 ( -15.471 7.226 0.122) 17.075 5.012 ( 1.744 -1.939 6.815) 7.297 5.347 ( -11.354 6.362 -2.446) 13.243 5.658 ( 7.461 -14.578 4.464) 16.974 5.838 ( 2.162 3.118 3.597) 5.228 6.285 ( 9.745 6.289 1.612) 11.709 6.397 ( 4.162 6.332 -1.581) 7.741 12.223 ( -10.791 -2.689 -25.621) 27.930 13.698 ( -13.704 3.548 10.777) 17.792 14.399 ( 4.383 7.178 1.750) 8.590 15.439 ( -0.171 0.566 -2.938) 2.997 17.276 ( 3.594 3.262 -12.369) 13.288 18.107 ( 5.751 -2.674 -13.673) 15.073 18.773 ( -10.016 14.335 34.030) 38.261 21.630 ( -0.454 -8.228 -24.491) 25.841 22.311 ( 6.182 -2.306 6.853) 9.513 23.710 ( -4.107 -0.733 10.833) 11.609 24.276 ( 13.657 5.460 -6.127) 15.933 24.589 ( -3.824 8.855 10.715) 14.417 25.202 ( -2.635 -6.759 0.834) 7.302 26.142 ( -13.079 0.018 5.155) 14.058 26.433 ( 7.833 0.304 -5.404) 9.521 26.855 ( 5.935 -4.595 -6.479) 9.915 49.737 ( -5.449 2.493 2.408) 6.457 49.774 ( 3.032 3.570 1.155) 4.825 50.268 ( -2.489 -7.272 3.947) 8.640 50.350 ( 3.362 1.225 -2.619) 4.434 50.860 ( 6.533 5.235 -6.174) 10.402 52.059 ( -1.537 -8.027 0.248) 8.176 52.522 ( -2.160 2.342 -1.587) 3.560 52.786 ( -0.004 1.769 0.915) 1.992 ======================= Grid point 60 (33/156) ======================= q-point: ( 0.05 -0.25 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -22.697 0.518 -16.718) 28.194 1.615 ( -25.836 13.454 -10.288) 30.893 3.089 ( -46.717 25.527 -15.421) 55.425 3.847 ( 0.463 -1.658 1.115) 2.051 4.072 ( 0.567 -4.005 -0.212) 4.050 4.303 ( -2.499 3.249 5.511) 6.868 5.071 ( 0.544 -0.358 3.001) 3.071 5.755 ( 9.839 11.236 5.516) 15.921 5.979 ( -0.567 -11.269 15.789) 19.406 6.158 ( 6.062 -7.140 4.011) 10.190 6.529 ( 5.687 2.131 1.853) 6.349 6.564 ( 1.178 -2.966 -2.174) 3.862 11.273 ( -9.001 7.212 -19.891) 22.993 13.001 ( -37.039 19.314 38.594) 56.872 14.663 ( 8.770 -5.436 -3.083) 10.769 15.442 ( 9.128 -3.339 -13.199) 16.391 16.643 ( 12.309 -4.099 -80.047) 81.092 18.595 ( 3.345 0.884 25.426) 25.660 18.911 ( -13.454 7.826 32.606) 36.130 21.321 ( 9.523 -1.654 -22.591) 24.572 22.607 ( 5.200 -7.375 0.977) 9.077 23.900 ( -4.017 1.969 10.096) 11.043 24.556 ( 1.261 2.092 15.096) 15.293 24.888 ( 4.876 13.136 10.092) 17.268 25.075 ( -2.527 -6.285 -0.608) 6.801 25.668 ( -13.578 -4.159 8.301) 16.449 26.505 ( 1.266 1.070 -6.209) 6.427 26.929 ( 11.136 -7.558 -27.771) 30.860 49.442 ( -3.218 1.612 -7.516) 8.334 50.018 ( 3.171 2.505 3.305) 5.220 50.352 ( 2.265 -4.926 2.108) 5.817 50.416 ( 1.499 2.248 -0.068) 2.703 50.949 ( 2.064 -1.751 -3.937) 4.778 52.043 ( -0.070 -3.578 3.510) 5.013 52.380 ( -2.509 2.120 -2.148) 3.924 52.781 ( -1.014 1.075 0.850) 1.705 ======================= Grid point 61 (34/156) ======================= q-point: ( 0.05 -0.05 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.184 26.349 -0.000) 26.350 1.518 ( 14.304 28.355 -0.000) 31.759 2.934 ( 28.541 50.775 -0.000) 58.247 3.860 ( -1.457 0.091 -0.000) 1.460 4.070 ( -5.818 -1.004 -0.000) 5.904 4.357 ( 3.745 2.447 0.000) 4.473 5.098 ( -0.508 -0.779 0.000) 0.930 5.791 ( 15.012 -8.057 0.000) 17.037 6.184 ( -6.802 -6.107 -0.000) 9.141 6.232 ( -20.880 -7.246 -0.000) 22.102 6.469 ( 5.788 -1.228 0.000) 5.917 6.565 ( -3.594 -5.747 0.000) 6.779 11.081 ( 6.404 9.727 -0.000) 11.646 13.845 ( 18.737 25.942 -0.000) 32.000 14.630 ( -6.897 -8.111 0.000) 10.647 14.776 ( -0.706 -4.138 0.000) 4.198 15.882 ( 4.678 5.713 -0.000) 7.384 18.863 ( 0.762 -3.927 0.000) 4.000 19.260 ( 5.638 13.930 -0.000) 15.027 21.063 ( 0.314 -12.333 0.000) 12.337 22.617 ( -7.649 -5.233 -0.000) 9.268 23.995 ( -0.127 6.522 -0.000) 6.524 24.652 ( -2.438 -16.595 0.000) 16.773 25.063 ( -7.163 2.880 -0.000) 7.720 25.130 ( 18.132 -9.129 0.000) 20.301 25.831 ( -12.681 16.930 -0.000) 21.153 26.421 ( 1.632 -0.939 0.000) 1.882 26.523 ( 0.201 0.126 0.000) 0.237 49.360 ( 3.976 6.975 -0.000) 8.029 50.054 ( 2.170 -3.703 0.000) 4.291 50.347 ( -5.900 -0.665 -0.000) 5.937 50.446 ( 4.245 -2.180 0.000) 4.772 50.909 ( -2.726 -2.630 -0.000) 3.789 52.076 ( -5.146 -2.493 -0.000) 5.719 52.358 ( 2.118 2.553 -0.000) 3.317 52.789 ( 1.046 0.982 0.000) 1.435 ======================= Grid point 62 (35/156) ======================= q-point: ( 0.05 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 30.088 2.165 -0.959) 30.181 2.541 ( 27.966 2.115 12.456) 30.688 3.659 ( -3.384 1.744 -6.725) 7.727 3.894 ( -2.383 1.365 4.532) 5.299 4.224 ( 12.254 12.706 0.521) 17.660 4.326 ( 7.099 5.462 1.869) 9.150 4.958 ( -6.256 -0.872 -4.339) 7.663 5.108 ( -22.292 -11.323 -0.837) 25.017 5.956 ( -4.057 -8.654 -6.600) 11.615 6.081 ( 1.688 1.572 -0.540) 2.369 6.477 ( 0.497 3.774 -0.541) 3.845 6.636 ( -0.937 3.368 0.631) 3.553 12.341 ( 35.179 -5.311 15.795) 38.926 13.618 ( 9.704 22.997 -41.217) 48.186 14.276 ( -9.856 -3.273 7.185) 12.629 15.265 ( -3.593 5.959 15.267) 16.778 16.554 ( -0.856 7.940 47.809) 48.472 18.731 ( 2.822 -5.237 -21.201) 22.020 19.263 ( 7.785 15.345 -23.365) 29.018 21.650 ( 11.717 -16.608 7.394) 21.628 22.141 ( -12.215 -1.287 1.855) 12.422 23.951 ( 3.482 8.991 -4.411) 10.603 24.332 ( -14.889 -5.397 -0.579) 15.847 24.747 ( -2.218 -2.037 0.280) 3.025 25.123 ( -7.006 13.208 -0.837) 14.974 25.824 ( 14.334 -6.284 -7.481) 17.347 26.510 ( -2.111 -0.130 3.303) 3.922 26.659 ( -3.900 -4.081 12.521) 13.734 49.529 ( 0.502 4.855 1.669) 5.159 50.100 ( 2.152 2.917 -1.706) 4.006 50.218 ( 0.122 -2.871 1.425) 3.208 50.491 ( -9.149 -0.223 -0.384) 9.160 50.682 ( 2.915 0.300 0.068) 2.931 51.990 ( -0.839 -8.321 -0.452) 8.376 52.527 ( 3.768 2.677 1.962) 5.021 52.827 ( 0.685 2.011 -0.776) 2.262 ======================= Grid point 63 (36/156) ======================= q-point: ( 0.05 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 0.257 -0.659 -7.696) 7.729 3.256 ( -7.747 -0.852 -4.951) 9.234 3.401 ( 0.436 -6.766 -4.504) 8.140 3.809 ( -2.304 2.023 1.424) 3.381 3.916 ( 8.966 -5.760 0.068) 10.657 4.527 ( 0.113 -18.952 2.003) 19.058 4.852 ( 0.348 -2.282 10.516) 10.767 5.224 ( 2.619 -4.960 4.121) 6.960 5.788 ( 5.879 5.933 5.399) 9.945 6.116 ( -14.349 9.699 -7.507) 18.876 6.310 ( 2.807 9.840 -0.747) 10.259 6.535 ( 0.358 7.246 -0.812) 7.300 13.046 ( -2.204 10.927 -32.617) 34.469 13.594 ( 4.898 -4.418 3.493) 7.464 14.423 ( 5.632 6.805 15.485) 17.827 15.270 ( 0.356 -1.569 3.488) 3.841 17.102 ( -8.910 6.796 31.204) 33.155 18.436 ( -1.096 0.906 -10.714) 10.808 19.102 ( 4.228 20.280 -19.655) 28.556 21.789 ( -0.877 -14.103 -10.495) 17.601 22.080 ( 4.199 4.017 5.550) 8.036 23.654 ( -11.162 -6.636 2.746) 13.273 24.250 ( 9.505 7.817 -2.304) 12.520 24.728 ( -3.268 12.213 7.099) 14.499 25.021 ( -1.634 -6.314 3.961) 7.630 26.247 ( 3.395 -2.770 -2.209) 4.907 26.362 ( -0.241 -1.387 -1.061) 1.763 26.702 ( 1.120 -5.281 2.221) 5.837 49.582 ( 1.546 0.360 5.113) 5.354 50.044 ( -9.386 6.429 2.426) 11.632 50.151 ( -1.976 -3.963 0.943) 4.528 50.372 ( 5.830 3.788 -3.292) 7.692 50.895 ( 7.823 1.253 -5.341) 9.555 51.901 ( -2.702 -11.139 -0.190) 11.463 52.636 ( -0.323 3.907 0.271) 3.930 52.819 ( -0.169 2.272 0.028) 2.279 ======================= Grid point 64 (37/156) ======================= q-point: ( 0.05 -0.45 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -15.578 6.641 -17.601) 24.425 2.568 ( -16.438 14.941 -11.299) 24.921 3.684 ( -3.004 -6.169 5.055) 8.523 3.942 ( 9.389 1.154 2.154) 9.702 4.114 ( 0.737 -6.983 3.771) 7.970 4.676 ( -25.831 14.545 -10.466) 31.438 4.954 ( 2.763 -8.026 8.923) 12.315 5.238 ( 1.589 -10.731 2.135) 11.056 5.603 ( 8.481 -1.029 12.997) 15.553 6.019 ( 1.530 5.339 -0.672) 5.595 6.497 ( -0.449 2.142 1.458) 2.630 6.577 ( 3.161 5.570 0.206) 6.408 12.217 ( -4.285 18.444 -33.767) 38.714 13.408 ( -20.237 3.056 15.572) 25.717 14.541 ( 2.053 -0.955 -7.971) 8.286 15.422 ( -0.860 -1.483 3.601) 3.988 17.387 ( 3.860 1.316 -3.316) 5.256 18.200 ( 2.893 0.046 -6.040) 6.697 18.879 ( -13.742 17.908 19.328) 29.717 21.552 ( 6.961 -3.687 -20.571) 22.027 22.333 ( 3.987 -6.670 -0.032) 7.770 23.695 ( 1.122 1.480 18.106) 18.201 24.447 ( 2.750 -2.119 -6.084) 7.005 24.881 ( -0.307 8.717 8.915) 12.472 25.003 ( 1.152 0.354 2.594) 2.861 25.801 ( -15.195 -3.722 1.993) 15.771 26.568 ( 4.693 -0.430 -5.246) 7.052 26.884 ( 9.121 -8.208 -9.431) 15.476 49.649 ( -6.240 1.100 1.220) 6.452 49.950 ( 5.469 3.957 2.508) 7.201 50.144 ( 1.503 -2.315 2.461) 3.698 50.465 ( 0.999 3.549 -1.926) 4.160 50.961 ( 0.556 -6.074 -8.209) 10.227 51.888 ( 2.311 -5.219 2.132) 6.092 52.540 ( -2.398 3.914 -2.319) 5.142 52.814 ( -1.183 1.781 1.387) 2.549 ======================= Grid point 66 (38/156) ======================= q-point: ( 0.05 -0.05 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 13.517 16.459 -0.000) 21.298 2.359 ( 15.434 22.698 -0.000) 27.448 3.854 ( 0.538 0.301 0.000) 0.617 3.885 ( -7.322 -3.267 -0.000) 8.018 4.260 ( -6.656 -8.659 0.000) 10.922 4.390 ( 21.590 38.404 -0.000) 44.056 5.121 ( -3.392 2.062 -0.000) 3.969 5.358 ( -22.600 -17.970 -0.000) 28.873 5.935 ( -1.957 -8.679 0.000) 8.896 6.004 ( 1.755 -2.134 0.000) 2.763 6.457 ( 2.868 -0.393 0.000) 2.894 6.571 ( 7.087 -2.215 0.000) 7.425 11.512 ( 19.308 4.748 0.000) 19.884 14.296 ( -12.761 -3.895 -0.000) 13.343 14.733 ( 2.727 -0.761 0.000) 2.831 14.809 ( 18.594 26.407 -0.000) 32.297 16.194 ( 9.335 11.195 -0.000) 14.576 18.723 ( 1.094 -12.431 0.000) 12.479 19.721 ( 6.098 18.258 -0.000) 19.250 20.871 ( 8.184 -15.605 0.000) 17.621 22.340 ( -9.252 -1.825 -0.000) 9.431 24.166 ( 1.918 7.749 -0.000) 7.983 24.203 ( -5.074 -19.618 0.000) 20.263 24.934 ( -11.438 4.148 -0.000) 12.167 25.314 ( 16.095 -6.976 0.000) 17.541 25.927 ( -12.825 18.310 -0.000) 22.355 26.443 ( 1.849 -1.381 0.000) 2.308 26.488 ( -0.373 -3.261 0.000) 3.282 49.646 ( 4.598 10.893 -0.000) 11.823 50.021 ( 2.773 -5.023 0.000) 5.738 50.208 ( -4.370 -0.566 -0.000) 4.407 50.490 ( 5.958 -4.259 0.000) 7.324 50.767 ( -7.317 0.016 -0.000) 7.317 51.890 ( -5.822 -4.646 -0.000) 7.448 52.484 ( 4.073 3.295 0.000) 5.239 52.840 ( 1.782 0.863 0.000) 1.980 ======================= Grid point 67 (39/156) ======================= q-point: ( 0.05 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 24.499 -6.336 2.469) 25.425 3.037 ( 9.537 2.816 2.454) 10.242 3.596 ( -2.438 -0.079 -6.216) 6.678 3.863 ( -6.338 -7.975 -7.375) 12.576 3.968 ( 1.012 6.146 3.806) 7.300 4.206 ( -19.206 -19.479 2.916) 27.510 4.798 ( -7.976 -3.128 -1.177) 8.648 5.167 ( 1.808 8.266 1.702) 8.631 5.705 ( 2.855 2.885 2.085) 4.563 6.309 ( 8.492 4.322 0.121) 9.530 6.566 ( -2.169 5.579 -1.154) 6.096 6.695 ( -0.988 3.221 -1.342) 3.627 12.894 ( 30.757 -7.298 13.134) 34.230 13.674 ( -12.104 -5.815 -0.866) 13.456 14.436 ( 4.042 17.865 -22.394) 28.931 15.469 ( 0.366 10.640 -1.331) 10.729 16.799 ( -0.392 17.529 34.263) 38.488 18.593 ( 0.017 -11.344 -13.037) 17.282 19.747 ( 4.454 18.724 -13.356) 23.426 21.402 ( 6.319 -22.835 3.293) 23.921 22.122 ( 0.497 9.323 1.771) 9.502 23.734 ( -14.144 -14.302 -3.213) 20.369 24.310 ( 4.530 8.008 -0.534) 9.216 24.661 ( -1.021 -2.374 4.606) 5.282 25.293 ( -8.524 19.638 0.040) 21.408 26.003 ( 13.981 -4.438 -4.173) 15.251 26.401 ( -5.935 -2.674 2.234) 6.882 26.538 ( -0.218 -4.736 3.732) 6.033 49.595 ( -3.122 4.918 0.669) 5.863 50.066 ( -1.220 -6.895 -0.961) 7.068 50.349 ( -7.969 7.123 2.710) 11.027 50.383 ( 6.866 8.305 -0.957) 10.818 50.768 ( 8.279 -3.977 -1.638) 9.329 51.732 ( -4.254 -11.780 0.293) 12.528 52.665 ( 3.161 3.636 1.082) 4.937 52.876 ( -0.056 1.639 -0.602) 1.747 ======================= Grid point 68 (40/156) ======================= q-point: ( 0.05 -0.65 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -11.423 2.317 -11.011) 16.035 3.161 ( -2.834 1.149 -8.066) 8.626 3.473 ( 4.481 -11.302 8.872) 15.051 3.649 ( -6.112 1.319 1.578) 6.449 4.068 ( 5.577 4.009 -0.630) 6.897 4.317 ( 11.576 -15.297 -3.671) 19.531 4.905 ( -4.440 -12.863 5.562) 14.700 4.918 ( 7.128 -0.438 10.639) 12.813 5.996 ( -15.481 11.587 -9.922) 21.734 6.158 ( 2.805 10.790 2.880) 11.515 6.530 ( 0.083 6.611 2.099) 6.937 6.624 ( -0.735 0.942 1.090) 1.617 13.096 ( -8.417 0.698 -0.357) 8.454 13.608 ( -2.327 8.938 -23.844) 25.570 14.680 ( 8.501 3.448 6.297) 11.126 15.177 ( -3.370 -5.459 0.931) 6.483 17.202 ( -3.438 15.170 23.150) 27.890 18.336 ( -7.448 -2.791 1.863) 8.169 19.521 ( -4.231 18.164 -16.533) 24.923 21.521 ( 4.978 -14.980 -7.682) 17.555 22.262 ( 1.807 5.068 -1.853) 5.691 23.342 ( -2.580 -7.037 12.207) 14.324 24.465 ( 3.902 -0.958 -5.666) 6.946 24.844 ( 2.718 -5.502 0.642) 6.170 25.106 ( -1.873 22.884 7.250) 24.078 26.003 ( -13.721 -3.831 0.803) 14.269 26.464 ( 9.337 -4.328 -3.745) 10.951 26.662 ( 5.950 -6.368 -1.231) 8.802 49.628 ( -0.023 1.143 5.374) 5.494 49.921 ( -0.578 -0.700 -0.631) 1.105 50.181 ( -3.232 6.623 2.889) 7.916 50.580 ( 2.829 5.781 -3.085) 7.137 50.977 ( 1.383 -6.310 -8.964) 11.049 51.631 ( 2.109 -9.833 3.702) 10.716 52.703 ( -1.525 4.162 -1.221) 4.598 52.846 ( -1.068 1.333 1.064) 2.013 ======================= Grid point 69 (41/156) ======================= q-point: ( 0.05 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -5.677 24.455 -6.285) 25.880 2.804 ( 0.406 25.841 -14.844) 29.804 3.532 ( 1.080 -5.169 6.442) 8.330 3.970 ( -4.307 -2.218 -3.246) 5.831 4.083 ( 9.393 -8.321 10.426) 16.315 4.527 ( -21.121 20.134 -14.343) 32.514 4.840 ( 1.741 -5.468 7.987) 9.835 5.091 ( 8.201 -12.198 0.730) 14.717 5.796 ( 8.219 1.027 9.453) 12.569 6.073 ( -3.162 1.175 0.397) 3.397 6.458 ( -5.410 0.246 1.747) 5.690 6.627 ( -2.312 -2.514 1.798) 3.860 12.743 ( 3.872 29.633 -22.681) 37.517 13.044 ( -21.096 4.171 15.336) 26.413 14.464 ( -0.745 -6.476 -11.320) 13.063 15.345 ( -0.505 -3.686 2.470) 4.466 17.437 ( 1.838 -5.322 -26.534) 27.125 18.244 ( -0.559 5.249 26.993) 27.504 18.840 ( -18.430 9.430 7.873) 22.149 21.785 ( 14.495 2.303 -5.453) 15.657 22.194 ( -0.272 -9.680 -3.880) 10.433 23.769 ( -0.158 3.864 15.003) 15.493 24.340 ( -3.567 -8.765 -1.951) 9.662 24.783 ( -2.909 -1.043 -3.505) 4.673 25.141 ( -4.732 -1.217 -2.720) 5.592 25.682 ( 2.452 12.590 7.302) 14.759 26.587 ( 1.089 -3.635 -4.866) 6.171 26.883 ( 7.638 -8.667 -9.652) 15.054 49.566 ( -2.042 -0.088 -1.973) 2.841 50.057 ( -3.808 3.929 2.794) 6.143 50.242 ( 7.726 -0.941 -0.806) 7.825 50.488 ( -2.270 -1.265 -0.576) 2.661 50.715 ( -3.265 -6.767 -3.601) 8.332 51.964 ( 7.426 -0.086 2.476) 7.829 52.571 ( -2.442 3.398 -2.482) 4.865 52.806 ( -2.048 0.803 1.508) 2.667 ======================= Grid point 71 (42/156) ======================= q-point: ( 0.05 -0.05 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 14.195 11.386 0.000) 18.197 3.003 ( 7.626 11.587 -0.000) 13.872 3.704 ( -0.772 -1.393 0.000) 1.593 3.848 ( 1.176 -6.244 0.000) 6.353 3.865 ( -10.375 -8.564 -0.000) 13.453 4.447 ( -23.219 -9.188 -0.000) 24.971 4.941 ( -10.666 -3.035 -0.000) 11.090 5.358 ( -3.145 6.474 -0.000) 7.198 5.702 ( 6.015 6.925 -0.000) 9.173 6.163 ( 9.059 2.061 0.000) 9.290 6.586 ( 6.488 0.377 0.000) 6.499 6.649 ( 6.385 -3.998 0.000) 7.533 12.019 ( 24.046 0.735 0.000) 24.057 13.958 ( -18.662 2.264 -0.000) 18.799 14.897 ( 9.078 5.140 0.000) 10.432 15.498 ( 11.376 6.993 0.000) 13.354 16.761 ( 12.343 22.638 -0.000) 25.785 18.376 ( -0.453 -22.170 0.000) 22.174 20.227 ( 3.453 20.750 -0.000) 21.035 20.716 ( 7.435 -15.982 0.000) 17.626 22.266 ( -0.140 5.460 -0.000) 5.462 23.642 ( -9.232 -20.383 0.000) 22.376 24.355 ( 3.106 4.825 -0.000) 5.738 24.797 ( -10.354 4.711 -0.000) 11.375 25.529 ( 13.883 -1.463 0.000) 13.960 26.067 ( -9.210 17.365 -0.000) 19.656 26.306 ( -0.323 -11.621 0.000) 11.626 26.467 ( -2.082 1.053 -0.000) 2.333 49.835 ( -6.810 7.311 -0.000) 9.992 49.934 ( 0.716 -7.294 0.000) 7.329 50.321 ( 12.149 6.118 0.000) 13.602 50.505 ( 5.524 -5.702 0.000) 7.938 50.662 ( -6.432 4.308 -0.000) 7.742 51.642 ( -7.851 -6.087 -0.000) 9.934 52.646 ( 4.482 3.506 0.000) 5.690 52.883 ( 1.422 -0.272 0.000) 1.448 ======================= Grid point 72 (43/156) ======================= q-point: ( 0.05 0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 1.236 -4.476 0.903) 4.731 3.028 ( 4.178 -7.030 0.970) 8.236 3.391 ( -7.661 -1.598 -6.766) 10.345 3.597 ( -3.585 -10.474 3.105) 11.498 4.056 ( 8.288 7.999 -1.145) 11.575 4.147 ( 4.709 3.092 0.014) 5.634 4.633 ( 0.329 -1.381 0.298) 1.451 4.848 ( -12.447 -9.863 0.264) 15.884 6.135 ( 7.340 11.977 4.519) 14.756 6.465 ( 2.530 -2.532 0.674) 3.643 6.611 ( -4.657 5.909 -2.761) 8.014 6.711 ( -2.036 1.650 -0.933) 2.781 13.138 ( -13.852 -0.399 9.139) 16.599 13.415 ( 21.033 -11.838 15.340) 28.598 14.924 ( 4.928 19.457 -24.577) 31.731 15.470 ( -7.295 -4.226 -14.451) 16.730 17.275 ( 0.834 26.695 19.160) 32.870 18.252 ( -4.368 -17.746 -0.073) 18.276 20.178 ( -2.008 19.556 -5.275) 20.354 21.059 ( 5.861 -22.155 0.685) 22.927 22.455 ( 6.497 14.521 -1.052) 15.943 23.125 ( -12.265 -16.092 1.094) 20.263 24.499 ( 1.222 2.625 -2.257) 3.671 24.624 ( 3.788 -2.791 3.322) 5.759 25.598 ( -4.265 22.166 0.363) 22.576 26.156 ( -9.054 -5.274 0.476) 10.489 26.208 ( 10.568 -1.287 -1.877) 10.810 26.424 ( 2.457 -8.801 1.134) 9.208 49.651 ( -1.438 5.639 1.067) 5.916 49.892 ( -1.279 -5.554 -0.567) 5.727 50.392 ( -5.492 9.274 1.568) 10.891 50.646 ( 3.756 1.631 -1.599) 4.396 50.925 ( 11.504 1.624 -2.062) 11.800 51.343 ( -6.689 -13.863 1.615) 15.477 52.792 ( 1.679 3.498 0.157) 3.883 52.876 ( -1.494 -0.248 -0.142) 1.521 ======================= Grid point 73 (44/156) ======================= q-point: ( 0.05 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 0.251 13.430 -1.790) 13.551 3.207 ( 5.428 -3.550 0.080) 6.486 3.266 ( 3.262 -6.058 2.347) 7.269 3.676 ( -1.522 6.665 1.272) 6.954 4.058 ( -6.357 -5.131 -1.369) 8.283 4.293 ( 12.831 -10.987 0.408) 16.897 4.804 ( 8.240 2.416 -2.810) 9.034 5.091 ( 9.022 -0.786 5.969) 10.846 5.933 ( -13.335 11.087 -9.434) 19.741 6.298 ( -5.514 5.076 0.880) 7.546 6.493 ( -6.379 -5.312 2.799) 8.760 6.585 ( -3.728 1.242 4.298) 5.823 12.800 ( -11.893 -5.513 22.699) 26.212 13.783 ( -1.919 8.101 -28.536) 29.726 14.847 ( -6.923 0.870 -18.402) 19.680 15.050 ( 8.647 0.254 12.902) 15.533 17.490 ( -0.361 12.699 8.309) 15.180 18.036 ( -12.398 -3.988 18.143) 22.333 19.589 ( -15.401 7.499 -20.587) 26.782 21.425 ( 10.998 -10.082 4.908) 15.707 22.269 ( -5.319 0.306 -6.603) 8.484 23.360 ( 9.575 0.768 15.367) 18.122 24.402 ( -3.913 -3.417 -4.279) 6.730 24.874 ( 5.862 -0.373 -4.921) 7.663 25.359 ( -12.307 1.811 -3.877) 13.029 25.807 ( -1.192 12.678 5.592) 13.907 26.496 ( 4.501 -6.809 -3.010) 8.700 26.672 ( 7.487 -6.244 -1.419) 9.852 49.628 ( -1.339 1.944 -0.800) 2.492 50.014 ( 7.724 -0.277 1.365) 7.848 50.246 ( -4.724 7.177 3.463) 9.263 50.627 ( -10.854 -9.661 -8.700) 16.936 50.719 ( 0.196 1.257 0.200) 1.288 51.677 ( 11.634 -2.820 3.743) 12.543 52.719 ( -3.178 1.455 -1.387) 3.760 52.836 ( -1.736 1.011 1.316) 2.402 ======================= Grid point 75 (45/156) ======================= q-point: ( 0.05 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -14.220 28.082 -5.787) 32.005 2.690 ( 1.919 24.137 -5.296) 24.786 3.689 ( 4.536 -9.173 2.652) 10.571 3.838 ( -3.294 -6.787 1.214) 7.641 4.322 ( -8.730 -3.700 2.429) 9.788 4.809 ( 13.747 26.749 -5.429) 30.560 5.134 ( 1.376 1.282 5.114) 5.449 5.336 ( 0.387 -0.962 -0.533) 1.166 5.734 ( -7.601 -13.521 4.334) 16.105 5.929 ( -3.503 -0.774 4.801) 5.993 6.291 ( 8.941 -7.047 -0.526) 11.396 6.351 ( 3.697 -8.412 -3.102) 9.698 11.862 ( -11.610 17.659 -12.555) 24.582 14.059 ( 8.623 12.011 27.150) 30.915 14.428 ( 2.934 -0.972 1.299) 3.353 15.255 ( 7.207 0.433 -17.739) 19.152 16.550 ( 11.938 2.154 -41.236) 42.983 18.279 ( -4.216 -13.783 14.573) 20.496 19.486 ( 7.966 13.161 37.331) 40.377 21.118 ( -8.585 0.915 -28.692) 29.963 22.414 ( -5.332 -3.368 3.981) 7.458 23.861 ( -2.146 -9.114 4.485) 10.382 24.176 ( 7.146 -5.407 -2.985) 9.445 24.806 ( 11.636 1.149 10.204) 15.519 25.205 ( -5.831 3.088 -0.229) 6.602 26.268 ( -1.805 11.471 8.318) 14.284 26.343 ( 0.675 -7.579 -3.785) 8.499 26.684 ( -3.660 -0.306 -11.210) 11.796 49.717 ( 8.467 7.268 -1.432) 11.250 49.847 ( 0.680 -4.011 3.165) 5.154 50.318 ( 2.640 -1.488 -0.511) 3.073 50.353 ( -10.169 1.884 4.286) 11.195 50.752 ( 4.442 -6.250 -4.838) 9.066 52.050 ( -8.939 0.258 -0.950) 8.993 52.493 ( 2.591 2.903 -1.264) 4.091 52.798 ( 1.760 -0.537 0.398) 1.883 ======================= Grid point 76 (46/156) ======================= q-point: ( 0.05 -0.05 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 8.804 8.234 0.000) 12.054 3.008 ( -3.871 -4.256 0.000) 5.753 3.530 ( -7.125 -8.478 0.000) 11.075 3.555 ( -8.595 -0.478 -0.000) 8.608 4.018 ( 11.967 10.071 0.000) 15.641 4.190 ( -2.087 2.468 -0.000) 3.232 4.671 ( -6.844 -2.396 -0.000) 7.252 4.934 ( -14.068 -11.121 -0.000) 17.933 6.233 ( 6.329 14.573 -0.000) 15.888 6.300 ( 3.028 -3.379 0.000) 4.537 6.665 ( 5.053 -5.576 0.000) 7.525 6.688 ( 4.318 -1.416 0.000) 4.544 12.530 ( 24.529 0.751 0.000) 24.540 13.614 ( -24.980 7.601 -0.000) 26.111 15.277 ( 12.988 7.687 0.000) 15.092 15.559 ( 0.876 -10.865 0.000) 10.900 17.543 ( 12.062 26.117 -0.000) 28.768 17.798 ( -2.808 -30.468 0.000) 30.597 20.511 ( 4.046 -15.532 0.000) 16.050 20.687 ( -1.489 21.552 -0.000) 21.603 22.557 ( 10.078 11.869 -0.000) 15.571 23.020 ( -11.087 -18.687 0.000) 21.729 24.476 ( 2.641 1.395 0.000) 2.986 24.698 ( -8.456 3.838 -0.000) 9.286 25.828 ( 12.562 3.548 0.000) 13.053 25.989 ( 0.562 -18.925 0.000) 18.933 26.249 ( -5.117 14.095 -0.000) 14.995 26.396 ( -7.388 1.278 -0.000) 7.498 49.772 ( -0.445 -7.593 0.000) 7.606 49.819 ( -4.053 4.651 -0.000) 6.169 50.460 ( 6.111 -9.190 0.000) 11.037 50.668 ( -3.667 5.299 -0.000) 6.444 50.816 ( 12.492 13.301 -0.000) 18.247 51.314 ( -11.781 -6.097 -0.000) 13.265 52.793 ( 3.550 2.422 0.000) 4.298 52.874 ( -0.128 -2.121 0.000) 2.125 ======================= Grid point 77 (47/156) ======================= q-point: ( 0.05 0.15 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -7.442 -7.253 3.891) 11.096 3.020 ( 3.914 1.627 1.358) 4.451 3.420 ( 5.068 8.540 -7.254) 12.298 3.622 ( 10.447 1.570 3.026) 10.989 4.032 ( -8.826 -9.287 1.111) 12.860 4.161 ( -1.984 -1.625 -2.470) 3.561 4.693 ( 8.536 1.315 1.713) 8.805 4.897 ( 12.362 9.816 -3.327) 16.132 6.261 ( -6.621 -13.105 2.739) 14.936 6.328 ( -3.685 3.042 2.516) 5.400 6.627 ( -5.299 5.798 -2.850) 8.356 6.691 ( -2.870 0.897 -0.429) 3.037 12.693 ( -24.056 0.505 16.823) 29.359 13.704 ( 21.612 -7.777 7.655) 24.211 15.048 ( -12.083 -8.616 -18.622) 23.812 15.412 ( 3.565 11.381 -16.227) 20.138 17.692 ( -8.750 -19.101 11.918) 24.154 17.835 ( -0.380 22.181 4.681) 22.672 20.344 ( -12.877 5.734 -11.714) 18.327 20.826 ( 8.957 -9.861 9.102) 16.134 22.527 ( -10.904 -8.099 -2.760) 13.861 23.051 ( 12.804 13.642 2.850) 18.925 24.471 ( -3.419 -1.013 -0.464) 3.596 24.702 ( 8.090 -3.228 0.351) 8.718 25.772 ( -13.395 -0.996 -4.693) 14.229 26.028 ( 0.111 15.027 3.075) 15.339 26.235 ( 4.289 -12.593 -1.220) 13.359 26.414 ( 7.798 -1.405 1.517) 8.067 49.753 ( -0.246 4.600 -1.706) 4.912 49.833 ( 4.239 -2.266 1.139) 4.940 50.466 ( -5.248 8.126 0.513) 9.687 50.648 ( 1.733 -6.313 -2.139) 6.887 50.814 ( -11.555 -8.773 0.295) 14.511 51.335 ( 12.357 4.334 1.909) 13.234 52.795 ( -3.468 -2.026 0.117) 4.018 52.873 ( 0.119 1.777 -0.075) 1.783 ======================= Grid point 78 (48/156) ======================= q-point: ( 0.05 0.35 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 5.270 -16.739 11.518) 20.991 3.177 ( 0.175 -8.368 3.283) 8.991 3.397 ( -0.351 11.468 -3.142) 11.896 3.805 ( -2.333 -3.834 1.891) 4.870 3.949 ( 7.789 10.730 -2.716) 13.534 4.553 ( 18.782 3.700 -1.881) 19.236 5.086 ( 4.125 4.018 -12.633) 13.884 5.251 ( 8.975 2.922 1.242) 9.521 5.879 ( -7.660 2.636 -3.122) 8.682 5.994 ( -11.355 -15.724 4.047) 19.813 6.304 ( -9.888 5.081 -0.063) 11.117 6.489 ( -7.887 2.291 4.049) 9.157 12.461 ( -7.188 -7.449 26.463) 28.416 13.835 ( 0.575 -0.927 -19.180) 19.211 14.594 ( -10.898 -2.474 -2.726) 11.503 15.343 ( 5.720 6.063 -3.560) 9.064 17.449 ( -8.300 -5.705 0.040) 10.071 17.940 ( -2.723 9.863 26.288) 28.209 19.259 ( -18.586 -3.215 -27.894) 33.673 21.506 ( 10.196 -4.879 18.810) 21.944 22.197 ( -0.983 1.715 -6.386) 6.685 23.623 ( 8.404 3.199 6.047) 10.836 24.248 ( -7.170 1.673 -2.756) 7.862 24.913 ( -12.734 -1.507 -10.931) 16.850 25.083 ( 5.967 -3.491 -2.701) 7.423 26.169 ( 2.705 13.238 5.256) 14.498 26.385 ( 1.440 -9.040 -2.906) 9.604 26.712 ( 5.851 -2.416 1.212) 6.445 49.679 ( -0.009 3.921 -4.827) 6.219 50.084 ( -5.182 -10.043 -1.331) 11.379 50.172 ( 1.253 -0.329 -0.698) 1.471 50.334 ( -2.202 1.857 -0.326) 2.899 50.794 ( -1.822 5.947 5.088) 8.036 51.882 ( 11.167 -1.166 1.890) 11.386 52.635 ( -3.955 -1.722 0.309) 4.324 52.819 ( -2.172 0.965 0.018) 2.377 ======================= Grid point 80 (49/156) ======================= q-point: ( 0.05 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -7.525 22.213 -7.176) 24.526 3.133 ( 0.478 6.856 -1.439) 7.022 3.492 ( 2.606 -9.841 6.422) 12.036 3.742 ( 2.184 0.041 -4.790) 5.265 3.993 ( -10.169 -6.818 1.627) 12.351 4.608 ( -17.134 -8.953 3.544) 19.655 5.174 ( -8.330 -0.198 -4.133) 9.301 5.309 ( -7.565 -11.262 8.469) 15.993 5.858 ( 10.931 19.329 -2.868) 22.390 6.018 ( 8.760 1.904 3.972) 9.805 6.309 ( 9.598 -7.510 0.334) 12.191 6.393 ( 10.195 -5.002 -5.470) 12.605 12.085 ( 1.119 14.260 -13.153) 19.433 14.233 ( -2.293 4.186 19.117) 19.703 14.598 ( 8.758 3.832 1.398) 9.662 15.351 ( 4.268 -7.024 -3.841) 9.072 17.023 ( 21.476 8.517 -27.940) 36.255 17.843 ( -2.190 -22.216 3.902) 22.662 19.890 ( 8.675 7.955 35.708) 37.598 21.086 ( -5.210 9.088 -25.729) 27.779 22.308 ( -0.902 1.122 4.927) 5.133 23.481 ( -7.597 -13.901 -7.172) 17.389 24.319 ( 5.987 2.156 3.572) 7.297 25.076 ( -3.353 0.856 4.041) 5.320 25.148 ( 9.095 4.598 5.594) 11.626 26.071 ( -2.100 -15.985 -4.568) 16.757 26.459 ( -2.664 9.902 4.813) 11.327 26.658 ( -5.385 6.034 -4.353) 9.185 49.755 ( -0.026 -5.299 3.043) 6.111 50.083 ( 9.137 5.245 -1.214) 10.605 50.174 ( -7.534 -0.600 0.113) 7.558 50.388 ( 3.750 5.270 3.952) 7.580 50.713 ( 2.907 -4.160 -3.198) 5.998 51.838 ( -11.652 0.191 -2.341) 11.887 52.627 ( 4.143 2.667 -0.457) 4.948 52.818 ( 2.214 -1.754 -0.015) 2.825 ======================= Grid point 81 (50/156) ======================= q-point: ( 0.05 -0.05 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -7.482 5.118 -0.000) 9.065 3.022 ( 3.605 7.387 -0.000) 8.220 3.477 ( 4.256 4.549 -0.000) 6.229 3.550 ( 6.206 7.178 -0.000) 9.488 4.068 ( -9.502 -7.463 -0.000) 12.082 4.145 ( -6.368 -2.785 -0.000) 6.950 4.634 ( 0.650 0.697 -0.000) 0.953 4.844 ( 14.717 9.041 0.000) 17.272 6.089 ( -7.617 -12.404 0.000) 14.556 6.456 ( -3.621 4.149 -0.000) 5.507 6.643 ( 3.984 -5.794 0.000) 7.031 6.717 ( 3.323 -2.688 0.000) 4.273 13.067 ( 22.331 4.677 0.000) 22.815 13.232 ( -30.474 10.302 -0.000) 32.169 15.214 ( -4.385 -15.923 0.000) 16.516 15.614 ( 7.119 0.788 0.000) 7.162 17.048 ( -3.790 -33.967 0.000) 34.178 18.249 ( 8.678 20.822 -0.000) 22.558 20.237 ( 0.507 -15.872 0.000) 15.880 21.048 ( -6.318 21.989 -0.000) 22.879 22.468 ( -8.448 -14.544 0.000) 16.819 23.112 ( 15.518 15.090 0.000) 21.645 24.540 ( 2.104 0.668 0.000) 2.208 24.573 ( -8.161 -0.375 -0.000) 8.170 25.597 ( 4.682 -23.019 0.000) 23.490 26.149 ( 10.096 3.994 0.000) 10.858 26.231 ( -11.751 2.508 -0.000) 12.016 26.410 ( -2.789 9.070 -0.000) 9.490 49.640 ( 1.886 -6.246 0.000) 6.524 49.898 ( 1.404 5.673 -0.000) 5.844 50.377 ( 5.629 -10.152 0.000) 11.608 50.663 ( -3.548 -1.463 -0.000) 3.837 50.947 ( -14.804 -0.244 -0.000) 14.806 51.324 ( 8.999 13.741 -0.000) 16.425 52.791 ( -2.056 -3.585 0.000) 4.133 52.878 ( 1.815 0.276 0.000) 1.835 ======================= Grid point 82 (51/156) ======================= q-point: ( 0.05 0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -12.701 -11.398 7.203) 18.524 3.013 ( -6.622 -10.151 1.122) 12.171 3.693 ( 1.009 -1.675 -1.028) 2.209 3.770 ( 5.515 10.785 -5.660) 13.371 3.931 ( 2.134 4.402 4.384) 6.569 4.397 ( 22.179 10.388 -4.556) 24.912 4.960 ( 11.732 1.247 1.417) 11.883 5.303 ( 5.439 0.594 -6.263) 8.316 5.717 ( -10.247 -13.106 2.751) 16.862 6.184 ( -9.269 -1.701 1.534) 9.548 6.586 ( -5.731 0.708 -0.182) 5.777 6.640 ( -5.617 3.063 -0.739) 6.441 12.202 ( -23.875 -0.458 18.902) 30.455 13.953 ( 13.547 -3.558 -4.778) 14.799 14.623 ( -7.554 -11.229 -15.087) 20.267 15.535 ( -4.330 -0.250 -2.547) 5.030 17.079 ( -9.941 -17.234 28.696) 34.919 18.246 ( -1.658 17.723 -11.702) 21.303 19.954 ( -12.192 -13.032 -21.481) 27.927 20.963 ( 0.885 8.246 18.583) 20.350 22.259 ( -0.426 -4.442 -0.681) 4.514 23.625 ( 9.449 17.022 -2.245) 19.598 24.353 ( -3.199 -3.277 0.113) 4.581 24.809 ( 9.682 -3.910 1.196) 10.510 25.449 ( -15.241 0.610 -7.739) 17.105 26.047 ( 7.101 -16.296 -1.566) 17.844 26.336 ( 1.423 10.832 2.669) 11.246 26.520 ( 3.721 0.503 4.754) 6.058 49.813 ( 5.810 -5.324 -2.618) 8.304 49.922 ( -0.758 5.249 -0.886) 5.376 50.306 ( -10.912 -6.564 -2.017) 12.893 50.495 ( -5.957 5.538 -0.063) 8.134 50.708 ( 6.319 -3.061 4.532) 8.357 51.657 ( 8.246 5.643 1.259) 10.071 52.655 ( -4.394 -3.225 0.945) 5.532 52.878 ( -1.394 0.128 -0.507) 1.489 ======================= Grid point 84 (52/156) ======================= q-point: ( 0.05 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 3.272 -18.605 9.226) 21.023 3.314 ( -1.737 1.771 -4.900) 5.492 3.641 ( -5.859 -8.009 8.097) 12.807 3.824 ( 2.366 2.071 -2.958) 4.317 3.861 ( -9.091 10.316 -6.209) 15.087 4.753 ( -2.984 -6.156 -6.702) 9.577 4.983 ( 2.889 -19.395 12.646) 23.333 5.168 ( -5.771 0.256 3.678) 6.848 5.829 ( -1.976 -5.268 -5.225) 7.678 5.938 ( 6.862 2.252 -0.081) 7.223 6.227 ( 4.787 9.004 -4.079) 10.983 6.308 ( 7.539 6.390 -4.859) 11.013 12.610 ( -2.281 6.775 -2.129) 7.459 13.713 ( 0.763 -12.704 21.446) 24.939 14.368 ( 10.434 2.842 3.268) 11.298 15.373 ( -4.673 -1.732 -2.499) 5.575 17.278 ( 15.482 0.374 -28.447) 32.389 17.709 ( -5.461 -15.066 -27.378) 31.724 19.081 ( 7.770 8.624 48.270) 49.647 21.852 ( -9.011 9.018 -17.717) 21.827 22.188 ( -0.284 1.484 11.554) 11.653 23.619 ( -1.075 -8.924 -14.826) 17.338 24.119 ( 6.945 5.892 4.525) 10.170 24.752 ( 7.985 3.542 10.192) 13.423 25.235 ( -4.250 -0.870 2.058) 4.802 25.927 ( -4.104 -15.554 -6.961) 17.528 26.561 ( 0.622 8.131 5.230) 9.688 26.936 ( -4.265 8.586 1.761) 9.748 49.648 ( -2.372 -1.205 3.613) 4.487 49.906 ( 9.880 -0.442 -2.463) 10.192 50.331 ( -0.003 2.610 3.681) 4.513 50.483 ( -6.573 8.711 3.178) 11.366 50.610 ( 1.561 -4.572 -3.771) 6.129 52.070 ( -6.041 -1.278 -2.361) 6.610 52.583 ( 3.204 0.102 0.802) 3.304 52.755 ( 1.454 -1.181 -1.236) 2.244 ======================= Grid point 85 (53/156) ======================= q-point: ( 0.05 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -1.685 -3.844 1.405) 4.426 3.059 ( -1.579 9.583 -7.720) 12.407 3.400 ( -4.317 -1.866 8.082) 9.351 3.668 ( -2.001 -6.466 0.065) 6.769 4.072 ( 9.915 8.876 -0.555) 13.319 4.265 ( -8.697 4.145 -1.285) 9.719 4.863 ( -12.278 -5.338 1.821) 13.511 4.983 ( -10.507 -3.222 -3.893) 11.660 6.115 ( 11.612 -7.043 9.300) 16.460 6.279 ( 3.994 -4.192 -0.815) 5.847 6.426 ( 8.117 2.396 -4.529) 9.599 6.505 ( 6.330 -0.781 -3.646) 7.347 12.484 ( 8.822 14.405 -10.679) 19.984 14.223 ( -8.979 5.765 12.805) 16.668 14.859 ( 7.836 -1.631 2.957) 8.533 15.161 ( 3.747 -12.231 7.604) 14.882 17.288 ( -0.977 -27.983 -10.080) 29.759 17.661 ( 23.784 5.973 -17.850) 30.331 20.089 ( 1.109 0.380 27.115) 27.141 21.267 ( -3.595 16.948 -11.286) 20.677 22.421 ( 5.665 1.574 9.196) 10.915 23.062 ( -7.909 -7.730 -15.182) 18.783 24.472 ( 2.505 4.110 2.815) 5.576 24.943 ( -8.288 1.741 2.344) 8.787 25.450 ( 7.151 -9.911 5.598) 13.443 25.699 ( 5.511 -8.717 -5.819) 11.841 26.558 ( -5.483 7.474 3.523) 9.916 26.671 ( -7.512 7.597 -1.425) 10.779 49.640 ( -0.616 -4.710 0.424) 4.769 49.993 ( -7.199 0.198 -0.757) 7.242 50.193 ( 4.936 -6.050 -1.971) 8.053 50.696 ( 2.564 -3.014 -0.030) 3.957 50.806 ( 9.864 15.327 7.266) 19.622 51.595 ( -12.647 1.183 -4.362) 13.430 52.742 ( 3.447 -0.098 0.969) 3.582 52.812 ( 1.642 -2.243 -1.085) 2.983 ======================= Grid point 86 (54/156) ======================= q-point: ( 0.05 -0.05 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -25.112 9.004 -0.000) 26.678 3.013 ( -12.054 -6.819 -0.000) 13.849 3.662 ( 2.187 2.033 0.000) 2.986 3.920 ( -3.749 -6.569 0.000) 7.563 3.950 ( 5.750 11.384 -0.000) 12.754 4.169 ( 24.857 17.282 0.000) 30.274 4.812 ( 8.195 3.416 0.000) 8.878 5.143 ( -3.875 -13.091 0.000) 13.653 5.688 ( 1.280 -0.210 0.000) 1.297 6.307 ( -9.192 -3.182 -0.000) 9.727 6.577 ( 1.041 -5.679 0.000) 5.773 6.708 ( 1.412 -3.637 0.000) 3.901 12.769 ( -35.038 9.731 -0.000) 36.364 13.625 ( 18.030 8.775 0.000) 20.051 14.847 ( -2.209 -10.976 0.000) 11.196 15.389 ( -9.040 -23.666 0.000) 25.333 16.411 ( -0.191 -20.801 0.000) 20.801 18.728 ( 4.290 12.553 -0.000) 13.266 19.886 ( -3.406 -14.958 0.000) 15.341 21.365 ( -9.658 25.073 -0.000) 26.869 22.105 ( -0.693 -10.738 0.000) 10.761 23.758 ( 17.137 13.902 0.000) 22.067 24.322 ( -7.112 -8.470 0.000) 11.059 24.613 ( 2.033 2.743 -0.000) 3.415 25.295 ( 10.182 -20.693 0.000) 23.063 26.048 ( -13.814 5.889 -0.000) 15.017 26.374 ( 5.832 1.570 0.000) 6.039 26.501 ( -1.429 4.063 -0.000) 4.307 49.588 ( 3.911 -5.474 0.000) 6.727 50.076 ( 1.288 6.435 -0.000) 6.563 50.316 ( 9.981 -9.078 0.000) 13.492 50.400 ( -9.272 -6.253 -0.000) 11.183 50.786 ( -8.890 4.798 -0.000) 10.102 51.726 ( 4.273 11.933 -0.000) 12.675 52.655 ( -3.443 -3.821 0.000) 5.144 52.881 ( 0.180 -1.638 0.000) 1.648 ======================= Grid point 87 (55/156) ======================= q-point: ( 0.05 0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -11.581 -16.068 11.002) 22.657 2.410 ( -15.381 -21.032 5.446) 26.619 3.783 ( 4.596 -1.031 -5.126) 6.962 3.926 ( 0.611 3.886 2.308) 4.561 4.209 ( 7.286 6.593 -4.795) 10.934 4.481 ( -19.346 -34.481 8.728) 40.490 5.085 ( 5.090 -0.372 -4.287) 6.665 5.306 ( 18.513 12.789 -4.409) 22.929 5.833 ( 3.960 9.834 -10.119) 14.656 6.005 ( -5.111 1.027 0.577) 5.245 6.485 ( -2.291 -0.160 2.021) 3.059 6.577 ( -6.338 3.191 0.326) 7.103 11.701 ( -19.334 -4.482 19.598) 27.892 13.900 ( -7.160 -18.957 -35.370) 40.764 14.413 ( 5.230 0.271 4.211) 6.720 15.357 ( -3.629 -2.325 13.698) 14.360 16.662 ( -6.188 -6.372 46.625) 47.464 18.493 ( -1.890 10.018 -21.856) 24.116 19.412 ( -11.041 -15.362 -27.343) 33.249 21.133 ( -3.129 10.941 21.980) 24.751 22.336 ( 8.598 2.367 -0.334) 8.924 23.988 ( -0.238 3.096 -12.755) 13.128 24.325 ( 2.731 7.108 6.718) 10.154 24.939 ( 10.323 -3.955 0.206) 11.056 25.178 ( -16.339 3.873 -12.066) 20.677 25.861 ( 7.645 -16.798 -4.391) 18.971 26.483 ( -0.952 3.499 3.481) 5.026 26.654 ( 4.860 4.902 13.651) 15.297 49.652 ( -3.509 -9.741 0.419) 10.362 50.000 ( -3.338 5.268 -2.166) 6.602 50.189 ( 3.994 1.246 -1.946) 4.614 50.462 ( -5.068 2.680 -1.593) 5.950 50.827 ( 6.669 0.389 5.685) 8.772 51.900 ( 5.668 4.013 0.503) 6.963 52.500 ( -4.023 -3.004 1.671) 5.291 52.833 ( -1.768 -0.943 -0.701) 2.123 ======================= Grid point 89 (56/156) ======================= q-point: ( 0.05 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 5.073 -17.684 11.591) 21.744 3.068 ( 1.017 -19.911 11.534) 23.033 3.439 ( -4.033 4.445 -2.185) 6.387 3.874 ( -8.646 8.714 -10.325) 16.041 4.023 ( 4.269 4.177 1.563) 6.174 4.660 ( -1.206 2.869 -11.078) 11.507 4.791 ( 9.664 -11.739 12.086) 19.424 5.092 ( -3.022 1.650 1.095) 3.613 5.643 ( -4.699 -5.688 -5.343) 9.110 6.055 ( 5.828 -3.469 -1.866) 7.034 6.407 ( 4.515 0.887 -3.516) 5.791 6.573 ( 2.993 3.653 -3.535) 5.899 12.781 ( 5.659 5.443 -1.119) 7.931 13.412 ( 4.785 -19.417 34.822) 40.156 14.648 ( 9.048 2.398 6.494) 11.392 15.239 ( -7.186 2.514 -8.027) 11.062 17.239 ( -3.928 -16.460 -29.505) 34.013 17.665 ( 21.108 -4.818 -34.423) 40.666 19.373 ( 2.644 6.404 49.104) 49.590 21.816 ( -9.237 7.905 -2.814) 12.479 22.292 ( -0.420 6.949 6.545) 9.555 23.423 ( -3.400 -5.239 -20.377) 21.313 24.397 ( 7.981 4.454 3.641) 9.838 24.860 ( 2.288 -4.694 4.125) 6.655 25.207 ( -2.051 -1.895 3.763) 4.686 25.557 ( 1.962 -8.293 -5.740) 10.275 26.691 ( -2.568 5.589 5.977) 8.577 27.001 ( -8.508 10.116 2.911) 13.535 49.597 ( -0.885 -0.252 1.229) 1.535 50.001 ( 3.720 -3.878 -2.875) 6.094 50.247 ( -11.059 0.722 -0.021) 11.082 50.517 ( 4.671 -2.030 2.131) 5.521 50.812 ( 6.395 12.939 6.305) 15.750 51.897 ( -7.422 -1.216 -4.391) 8.709 52.615 ( 2.479 -2.988 2.097) 4.413 52.772 ( 2.168 -1.037 -2.050) 3.159 ======================= Grid point 90 (57/156) ======================= q-point: ( 0.05 0.75 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 9.843 5.064 7.985) 13.649 3.293 ( 1.332 9.093 -5.118) 10.519 3.362 ( -1.338 3.135 7.378) 8.127 3.609 ( 4.653 -0.048 -2.965) 5.518 4.071 ( -5.854 -5.038 0.256) 7.727 4.408 ( -11.310 10.530 4.731) 16.161 4.743 ( -7.561 0.193 -6.867) 10.216 4.787 ( 9.582 7.972 -6.400) 14.011 6.083 ( -7.698 -8.385 -2.588) 11.673 6.198 ( 13.734 -11.668 9.053) 20.168 6.484 ( 5.678 -8.590 -3.201) 10.784 6.593 ( -0.426 0.497 -1.788) 1.904 13.010 ( 10.558 15.895 -3.401) 19.383 14.090 ( -14.809 5.401 8.848) 18.077 14.571 ( -5.470 -17.355 10.146) 20.834 15.272 ( 10.788 -4.687 6.077) 13.239 16.716 ( 1.582 -25.515 -26.197) 36.604 18.183 ( 21.354 -1.135 -8.797) 23.123 19.971 ( -8.123 -3.408 23.717) 25.300 21.580 ( -2.816 18.489 -0.740) 18.717 22.318 ( -6.357 -9.362 3.631) 11.885 23.114 ( 11.765 6.937 -10.626) 17.304 24.572 ( -3.519 4.388 5.106) 7.597 24.802 ( -8.631 -0.517 -3.438) 9.305 25.020 ( 3.719 -22.948 -2.071) 23.339 25.990 ( 12.824 3.522 -0.583) 13.312 26.533 ( -9.740 5.657 3.359) 11.754 26.661 ( -6.664 5.692 -1.094) 8.833 49.545 ( -0.450 -3.282 -3.144) 4.568 49.933 ( 0.877 1.008 0.502) 1.427 50.140 ( 2.417 -5.647 -1.429) 6.307 50.629 ( -2.097 -4.549 1.901) 5.357 51.149 ( -5.737 4.606 8.810) 11.478 51.535 ( 1.951 11.631 -6.084) 13.270 52.722 ( 0.442 -4.263 0.784) 4.357 52.827 ( 2.063 -1.356 -0.842) 2.609 ======================= Grid point 91 (58/156) ======================= q-point: ( 0.05 -0.05 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -37.444 11.273 -0.000) 39.104 2.375 ( -23.385 -14.897 -0.000) 27.727 3.756 ( 0.980 -7.590 0.000) 7.653 3.821 ( 4.806 4.863 -0.000) 6.837 4.163 ( -28.708 -31.320 0.000) 42.487 4.362 ( 5.331 10.732 -0.000) 11.983 5.000 ( 5.013 -0.405 0.000) 5.030 5.116 ( 28.429 13.157 0.000) 31.326 6.022 ( 8.582 8.294 0.000) 11.935 6.087 ( -4.084 -0.706 -0.000) 4.144 6.483 ( -0.331 -1.829 0.000) 1.858 6.624 ( -0.491 -5.027 0.000) 5.051 12.188 ( -37.258 6.227 -0.000) 37.775 14.143 ( 13.820 9.410 0.000) 16.719 14.471 ( -14.270 -35.613 0.000) 38.366 14.717 ( 2.635 -2.408 0.000) 3.569 16.089 ( -2.907 -10.122 0.000) 10.531 18.944 ( 0.580 4.089 -0.000) 4.130 19.506 ( -6.875 -11.123 0.000) 13.076 21.568 ( -16.136 17.002 -0.000) 23.440 22.123 ( 13.411 2.438 0.000) 13.631 23.982 ( -2.734 -13.171 0.000) 13.451 24.338 ( 16.818 7.637 0.000) 18.470 24.750 ( 1.448 7.273 -0.000) 7.415 25.142 ( 11.963 -17.328 0.000) 21.057 25.917 ( -14.456 9.511 -0.000) 17.304 26.462 ( 1.459 0.364 0.000) 1.503 26.523 ( -0.107 -0.350 0.000) 0.366 49.512 ( -0.945 -6.081 0.000) 6.154 50.118 ( 0.094 -1.333 0.000) 1.336 50.202 ( -2.044 0.024 -0.000) 2.044 50.494 ( 12.762 0.675 0.000) 12.780 50.688 ( -6.926 1.101 -0.000) 7.013 51.992 ( 0.986 8.882 -0.000) 8.937 52.507 ( -3.945 -2.877 -0.000) 4.883 52.835 ( -0.644 -2.009 0.000) 2.110 ======================= Grid point 93 (59/156) ======================= q-point: ( 0.05 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 7.167 -21.123 15.611) 27.226 2.195 ( 2.647 -30.671 18.379) 35.854 3.311 ( 19.402 -27.774 25.749) 42.554 3.793 ( -1.030 0.843 0.497) 1.421 3.956 ( 3.206 2.650 -1.437) 4.401 4.281 ( -0.667 -5.362 -7.036) 8.871 4.926 ( -0.708 4.158 -7.138) 8.291 5.451 ( -1.246 9.424 -9.195) 13.225 5.818 ( -1.822 -3.788 -13.254) 13.904 6.194 ( -6.740 2.996 -6.026) 9.524 6.363 ( 5.275 2.623 -1.258) 6.024 6.632 ( 0.523 -1.088 -3.396) 3.604 12.175 ( 2.821 -26.706 31.786) 41.612 12.354 ( 18.837 -17.582 0.599) 25.774 14.712 ( -3.928 12.161 4.285) 13.479 15.489 ( -3.493 5.869 -0.689) 6.864 17.638 ( -5.230 3.070 -7.689) 9.792 18.009 ( 9.076 -9.055 -48.648) 50.309 18.644 ( -3.513 17.100 44.795) 48.077 21.958 ( -7.147 -1.894 13.984) 15.819 22.478 ( -4.082 10.482 -1.398) 11.335 23.606 ( 6.513 -2.458 -9.456) 11.742 24.205 ( 9.498 -13.915 -14.466) 22.206 24.821 ( 1.321 9.394 1.293) 9.574 25.146 ( -2.990 -0.689 4.814) 5.709 25.489 ( -0.985 -9.736 -7.583) 12.380 26.660 ( -0.192 2.494 8.837) 9.184 27.306 ( -9.110 15.824 12.906) 22.360 49.581 ( -2.586 2.902 7.463) 8.415 49.958 ( 3.181 0.976 -4.057) 5.247 50.381 ( 3.317 2.198 0.975) 4.097 50.490 ( -9.715 -1.900 1.648) 10.035 50.844 ( 2.711 10.018 3.774) 11.043 52.010 ( -1.510 -5.840 -5.847) 8.401 52.450 ( 2.127 -3.808 2.658) 5.108 52.754 ( 1.117 -0.862 -1.720) 2.225 ======================= Grid point 94 (60/156) ======================= q-point: ( 0.05 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 15.314 -0.319 19.015) 24.417 2.828 ( 10.857 -13.601 15.725) 23.455 3.598 ( 4.697 7.603 -4.065) 9.818 3.824 ( -9.551 3.279 -8.915) 13.471 4.089 ( 0.436 0.431 -0.308) 0.686 4.763 ( 7.476 -2.557 -7.441) 10.853 4.832 ( -0.606 4.425 1.894) 4.852 5.199 ( 1.964 10.809 -5.651) 12.354 5.437 ( 3.145 -10.654 0.390) 11.115 6.019 ( -0.307 -6.006 -1.016) 6.099 6.426 ( -1.724 -2.546 -5.586) 6.377 6.574 ( -0.692 -4.442 -0.124) 4.498 12.895 ( 5.267 -8.754 33.629) 35.147 13.338 ( 12.552 -1.187 10.461) 16.383 14.683 ( -4.257 -5.396 6.532) 9.482 15.257 ( 0.068 5.753 -13.768) 14.922 16.905 ( 0.368 -9.937 -36.493) 37.823 17.949 ( 20.281 -9.798 -29.531) 37.140 19.357 ( -8.720 -1.904 50.760) 51.538 21.865 ( -4.240 10.242 11.591) 16.039 22.340 ( -6.650 2.822 0.803) 7.268 23.325 ( 2.751 -1.539 -20.124) 20.370 24.531 ( 5.013 -5.863 1.244) 7.813 24.727 ( -7.180 -9.135 -4.514) 12.465 24.994 ( -1.935 3.814 0.155) 4.279 25.781 ( 14.061 2.352 -0.268) 14.259 26.674 ( -6.167 1.864 5.935) 8.759 26.995 ( -10.901 8.667 2.470) 14.144 49.602 ( 0.985 0.295 -3.338) 3.493 49.925 ( -3.395 -3.276 -0.170) 4.721 50.106 ( -1.837 1.147 -1.499) 2.634 50.520 ( -0.316 -2.504 3.395) 4.230 51.130 ( -0.818 5.054 9.498) 10.790 51.815 ( -0.199 5.069 -5.551) 7.519 52.582 ( 1.810 -3.851 2.087) 4.740 52.782 ( 1.583 -1.916 -1.924) 3.143 ======================= Grid point 95 (61/156) ======================= q-point: ( 0.05 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -12.865 -2.160 1.405) 13.120 3.339 ( -1.514 6.421 3.121) 7.298 3.553 ( 9.213 7.089 9.376) 14.935 3.771 ( 3.903 -0.190 -2.427) 4.600 3.954 ( -1.625 5.078 4.115) 6.735 4.418 ( -0.494 13.853 -9.272) 16.677 4.758 ( 2.706 3.814 0.324) 4.688 5.117 ( -2.559 1.526 -6.232) 6.908 5.695 ( -4.358 -4.559 -4.039) 7.490 6.252 ( 10.372 -8.758 6.329) 14.978 6.327 ( -1.273 -9.474 0.841) 9.596 6.524 ( 1.434 -7.091 -1.715) 7.435 13.411 ( -4.140 7.007 8.922) 12.077 13.891 ( -13.211 5.768 14.698) 20.587 14.126 ( -2.862 -12.982 1.716) 13.404 15.189 ( 1.263 -12.360 -6.764) 14.146 16.414 ( 5.975 -11.984 -36.650) 39.020 18.484 ( 16.778 -7.293 0.647) 18.306 19.672 ( -13.061 -3.358 29.204) 32.168 21.836 ( 1.149 1.651 -5.007) 5.396 22.055 ( -7.627 6.260 2.990) 10.310 23.573 ( 18.313 4.786 -4.289) 19.408 24.262 ( -9.686 -14.062 -1.654) 17.155 24.698 ( 1.941 -3.070 3.843) 5.287 24.932 ( 0.609 4.454 -5.492) 7.097 26.253 ( 7.454 0.939 -0.694) 7.545 26.421 ( -10.266 4.379 4.114) 11.895 26.639 ( -3.742 3.255 -3.923) 6.324 49.500 ( 0.308 -0.874 -3.245) 3.374 50.007 ( 6.327 -6.199 -1.389) 8.965 50.141 ( 3.124 4.890 -0.245) 5.807 50.430 ( -6.666 -4.522 2.422) 8.412 50.983 ( -9.106 -1.241 3.622) 9.878 51.895 ( 4.193 11.575 -0.645) 12.328 52.628 ( -0.963 -4.053 -0.465) 4.191 52.818 ( 1.159 -2.475 -0.072) 2.734 ======================= Grid point 96 (62/156) ======================= q-point: ( 0.05 -0.05 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -28.828 -14.315 -0.000) 32.187 1.694 ( -44.317 11.523 -0.000) 45.790 2.658 ( -39.638 -39.060 -0.000) 55.649 3.770 ( 2.645 0.166 0.000) 2.650 4.010 ( 3.629 4.551 -0.000) 5.820 4.435 ( -6.518 -2.676 -0.000) 7.045 5.064 ( 3.834 1.066 0.000) 3.979 5.689 ( 14.771 -7.436 0.000) 16.537 6.179 ( 5.395 5.523 -0.000) 7.721 6.285 ( 3.417 12.537 -0.000) 12.995 6.502 ( -0.700 -5.046 0.000) 5.094 6.603 ( 5.486 5.389 0.000) 7.690 11.519 ( -31.148 -1.877 -0.000) 31.204 13.548 ( -12.750 -23.064 0.000) 26.354 14.569 ( 11.520 6.450 0.000) 13.203 14.799 ( 4.050 1.726 0.000) 4.402 15.864 ( -4.102 -4.331 0.000) 5.965 18.955 ( -1.015 -1.423 0.000) 1.748 19.170 ( -9.112 -5.002 -0.000) 10.395 21.502 ( -6.491 1.296 -0.000) 6.619 22.556 ( 9.149 10.651 -0.000) 14.041 23.753 ( 1.868 -5.422 0.000) 5.735 24.737 ( 15.261 -0.588 0.000) 15.272 24.957 ( -0.102 10.234 -0.000) 10.234 25.042 ( 10.614 -15.265 0.000) 18.593 25.832 ( -14.483 10.679 -0.000) 17.995 26.458 ( -0.688 -1.628 0.000) 1.767 26.506 ( 0.069 -0.263 0.000) 0.272 49.337 ( -4.799 -3.530 -0.000) 5.958 50.096 ( 1.885 -2.474 0.000) 3.110 50.276 ( 4.091 2.782 0.000) 4.948 50.557 ( -4.671 -1.763 -0.000) 4.993 50.765 ( 8.990 2.941 0.000) 9.459 52.142 ( 0.037 4.862 -0.000) 4.862 52.383 ( -3.622 -1.564 -0.000) 3.945 52.787 ( -0.795 -1.033 0.000) 1.303 ======================= Grid point 98 (63/156) ======================= q-point: ( 0.05 0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 17.358 -0.505 24.310) 29.875 1.898 ( 19.911 -11.161 19.083) 29.751 3.446 ( 33.906 -16.473 19.384) 42.388 3.839 ( 2.289 0.055 1.763) 2.890 4.072 ( -1.816 -3.131 -1.208) 3.816 4.167 ( 5.092 0.734 -7.568) 9.151 4.983 ( 0.024 0.325 -6.173) 6.182 5.562 ( -7.839 0.411 -12.221) 14.525 5.714 ( 1.612 3.197 -13.486) 13.953 6.103 ( -6.340 3.272 -2.956) 7.722 6.457 ( 0.204 -1.491 -3.903) 4.184 6.567 ( -1.388 -1.144 -1.726) 2.493 11.801 ( 7.852 -8.482 34.989) 36.848 12.672 ( 32.303 -12.756 1.146) 34.749 14.737 ( -10.195 3.651 4.337) 11.665 15.510 ( -4.256 3.269 -1.133) 5.485 17.529 ( -5.794 2.622 -22.489) 23.371 18.142 ( 14.576 -6.653 -44.306) 47.114 18.602 ( -21.828 4.026 54.769) 59.096 21.770 ( -6.200 4.828 22.887) 24.198 22.584 ( -5.467 5.454 -1.389) 7.847 23.617 ( 0.762 -4.752 -19.096) 19.694 24.240 ( 17.874 -10.308 -12.158) 23.949 24.850 ( -11.409 -3.549 0.584) 11.962 25.080 ( 1.653 5.705 -0.037) 5.940 25.557 ( 12.100 0.179 -3.520) 12.603 26.651 ( -3.113 0.235 8.911) 9.442 27.315 ( -15.453 9.199 12.505) 21.904 49.589 ( -1.746 2.253 6.753) 7.330 49.950 ( -2.628 -3.154 -3.403) 5.333 50.280 ( -4.197 1.117 -3.261) 5.432 50.468 ( -1.746 3.226 3.820) 5.296 51.047 ( -1.032 -0.136 6.227) 6.314 51.948 ( 4.199 1.338 -6.308) 7.696 52.429 ( 2.390 -2.133 2.839) 4.281 52.757 ( 1.103 -1.149 -1.729) 2.351 ======================= Grid point 99 (64/156) ======================= q-point: ( 0.05 0.55 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 16.369 -4.903 14.876) 22.655 3.103 ( 19.111 11.214 14.339) 26.393 3.585 ( -11.093 -1.491 -1.579) 11.304 3.777 ( 1.950 1.868 -1.761) 3.223 4.189 ( -3.995 4.045 -4.278) 7.116 4.737 ( 5.083 -6.186 -12.495) 14.840 4.941 ( -3.589 10.289 -1.799) 11.044 5.410 ( 11.423 -3.701 -1.342) 12.083 5.583 ( 10.602 7.359 1.146) 12.957 5.805 ( -7.577 -4.704 -0.482) 8.931 6.228 ( -7.929 -5.500 -4.301) 10.564 6.414 ( -2.675 -7.747 0.419) 8.207 12.808 ( 3.003 -7.188 35.443) 36.290 13.645 ( 9.602 4.203 4.688) 11.482 14.362 ( -7.959 -9.347 -2.339) 12.497 15.364 ( -0.388 3.974 -11.044) 11.744 16.882 ( 4.935 1.260 -37.030) 37.379 18.092 ( 15.467 -11.626 -22.754) 29.869 19.033 ( -12.354 -5.086 52.827) 54.490 21.985 ( -3.861 5.416 7.127) 9.748 22.185 ( -6.169 -0.093 -1.297) 6.304 23.488 ( 10.930 2.520 -11.691) 16.201 24.256 ( -6.977 -12.705 -8.566) 16.837 24.560 ( -2.639 1.788 7.946) 8.561 25.168 ( 2.225 7.471 -2.881) 8.311 26.068 ( 12.641 -1.576 -2.864) 13.057 26.539 ( -8.217 0.063 5.689) 9.994 26.922 ( -9.147 4.961 0.776) 10.434 49.634 ( -0.798 2.570 -5.799) 6.393 49.808 ( 1.299 -4.984 2.356) 5.663 50.209 ( 3.118 6.500 -2.391) 7.595 50.413 ( -4.647 -1.851 3.750) 6.252 50.974 ( -7.261 -6.970 5.634) 11.535 52.040 ( 3.547 7.766 -1.653) 8.696 52.547 ( 1.127 -2.375 1.005) 2.814 52.764 ( 0.835 -1.838 -1.342) 2.424 ======================= Grid point 100 (65/156) ======================= q-point: ( 0.05 -0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -24.624 -6.253 0.811) 25.419 3.284 ( -28.262 -0.471 -5.537) 28.803 3.515 ( 5.512 -2.969 2.898) 6.899 3.851 ( 3.329 1.918 -0.457) 3.869 4.267 ( 7.006 6.406 10.124) 13.879 4.501 ( -26.147 -5.508 -8.767) 28.122 4.932 ( 1.574 6.003 2.240) 6.598 4.977 ( 11.805 12.845 -5.322) 18.239 5.916 ( 12.660 2.926 -0.812) 13.019 6.075 ( -2.851 -2.477 4.830) 6.131 6.317 ( 4.927 -7.192 1.276) 8.811 6.412 ( 7.942 -8.007 0.188) 11.280 12.875 ( -23.340 -22.973 0.132) 32.750 13.643 ( -18.649 3.537 30.313) 35.766 14.205 ( 6.731 7.144 -3.834) 10.538 15.073 ( 4.018 -1.393 -20.930) 21.358 16.368 ( 3.987 -3.663 -43.079) 43.418 18.594 ( 11.075 -9.317 9.639) 17.389 19.339 ( -14.616 -0.590 35.642) 38.527 21.663 ( 2.557 -14.350 -14.709) 20.708 22.302 ( 0.514 15.688 6.666) 17.053 23.858 ( -6.034 -6.993 -1.211) 9.315 24.017 ( 18.613 1.236 -2.588) 18.832 24.669 ( 1.351 -3.164 7.215) 7.993 25.082 ( -1.583 9.186 -5.050) 10.601 26.231 ( -12.272 3.916 9.002) 15.715 26.405 ( 5.299 -2.628 -2.663) 6.486 26.673 ( 1.075 3.111 -10.869) 11.357 49.505 ( -1.066 1.298 -2.811) 3.275 49.955 ( 3.175 -6.449 0.236) 7.192 50.263 ( -2.837 -0.272 -0.158) 2.854 50.414 ( 7.808 7.841 -0.734) 11.089 50.756 ( -6.642 -4.862 3.165) 8.819 52.124 ( 0.825 5.605 0.428) 5.682 52.524 ( -1.820 -3.158 -1.635) 3.995 52.790 ( 0.467 -1.544 0.452) 1.676 ======================= Grid point 101 (66/156) ======================= q-point: ( 0.10 -0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -32.430 -0.319 -0.000) 32.432 1.523 ( -35.791 -29.900 -0.000) 46.637 2.414 ( -55.215 18.373 -0.000) 58.191 3.829 ( 2.667 4.110 -0.000) 4.900 4.105 ( 2.409 3.277 -0.000) 4.067 4.348 ( -7.967 -3.853 -0.000) 8.850 5.092 ( 3.444 1.094 0.000) 3.614 5.591 ( 5.605 1.569 0.000) 5.821 6.278 ( 6.002 1.683 0.000) 6.233 6.397 ( 1.679 -2.592 0.000) 3.089 6.439 ( 9.972 0.967 0.000) 10.018 6.649 ( 6.206 -2.554 0.000) 6.711 11.260 ( -21.083 -19.393 -0.000) 28.646 13.460 ( -20.226 13.721 -0.000) 24.441 14.666 ( 10.043 2.565 0.000) 10.365 14.806 ( 4.754 -1.305 0.000) 4.930 15.824 ( -4.094 0.556 -0.000) 4.132 18.887 ( 1.959 -3.092 0.000) 3.661 19.166 ( -12.591 3.057 -0.000) 12.956 21.269 ( 5.303 -17.546 0.000) 18.330 22.698 ( 4.705 0.629 0.000) 4.747 23.870 ( -0.211 12.380 -0.000) 12.382 24.699 ( 15.868 -2.230 0.000) 16.024 24.877 ( 6.103 2.002 0.000) 6.423 25.109 ( -1.652 3.014 -0.000) 3.437 25.972 ( -13.121 0.680 -0.000) 13.138 26.416 ( 0.530 -1.367 0.000) 1.466 26.515 ( -0.191 0.609 -0.000) 0.638 49.309 ( -5.739 0.758 -0.000) 5.789 50.041 ( 3.359 -1.468 0.000) 3.666 50.343 ( 3.545 3.658 -0.000) 5.094 50.485 ( -2.430 -4.924 0.000) 5.491 50.865 ( 5.952 5.434 0.000) 8.060 52.175 ( 0.468 -2.234 0.000) 2.283 52.349 ( -2.796 -1.358 -0.000) 3.109 52.777 ( -0.703 0.097 -0.000) 0.709 ======================= Grid point 102 (67/156) ======================= q-point: ( 0.10 0.10 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.000 0.000 33.329) 33.329 0.636 ( 0.000 0.000 33.329) 33.329 1.060 ( 0.000 0.000 55.596) 55.596 3.906 ( 0.000 0.000 2.251) 2.251 4.099 ( -0.000 -0.000 -4.553) 4.553 4.099 ( -0.000 -0.000 -4.553) 4.553 5.190 ( -0.000 -0.000 -4.278) 4.278 5.677 ( -0.000 -0.000 -0.890) 0.890 5.677 ( -0.000 -0.000 -0.890) 0.890 6.382 ( -0.000 -0.000 -2.874) 2.874 6.382 ( -0.000 -0.000 -2.874) 2.874 6.666 ( -0.000 -0.000 -9.106) 9.106 10.980 ( 0.000 0.000 20.512) 20.512 10.980 ( 0.000 0.000 20.512) 20.512 14.976 ( 0.000 0.000 4.007) 4.007 15.713 ( -0.000 -0.000 -0.717) 0.717 18.498 ( -0.000 -0.000 -37.283) 37.283 18.498 ( -0.000 -0.000 -37.283) 37.283 20.798 ( 0.000 0.000 8.213) 8.213 21.604 ( 0.000 0.000 19.439) 19.439 21.604 ( 0.000 0.000 19.439) 19.439 22.882 ( 0.000 0.000 6.721) 6.721 23.788 ( -0.000 -0.000 -8.889) 8.889 25.103 ( 0.000 0.000 2.560) 2.560 25.103 ( 0.000 0.000 2.560) 2.560 25.457 ( -0.000 -0.000 -10.402) 10.402 26.497 ( 0.000 0.000 9.423) 9.423 28.184 ( -0.000 -0.000 -3.552) 3.552 50.059 ( -0.000 -0.000 -4.852) 4.852 50.059 ( -0.000 -0.000 -4.852) 4.852 50.505 ( 0.000 0.000 6.258) 6.258 50.505 ( 0.000 0.000 6.258) 6.258 51.003 ( 0.000 0.000 0.683) 0.683 51.406 ( -0.000 -0.000 -1.985) 1.985 52.278 ( 0.000 0.000 2.209) 2.209 52.746 ( -0.000 -0.000 -0.904) 0.904 ======================= Grid point 103 (68/156) ======================= q-point: ( 0.10 0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 20.946 -2.761 19.052) 28.449 2.015 ( 28.122 14.429 19.963) 37.384 3.166 ( 38.243 -6.661 29.960) 49.035 3.852 ( -3.029 -0.915 1.746) 3.614 3.951 ( -1.576 -4.665 -8.119) 9.496 4.239 ( 7.714 3.950 -4.585) 9.805 4.962 ( -3.332 -2.060 -6.581) 7.659 5.485 ( -6.233 -3.354 -7.485) 10.302 5.812 ( 3.417 2.921 -14.696) 15.368 6.208 ( -6.336 6.143 -7.616) 11.658 6.361 ( -2.084 -6.156 -1.273) 6.623 6.601 ( 0.967 2.492 -4.568) 5.292 11.851 ( 13.939 13.111 29.147) 34.868 12.417 ( 32.958 -11.094 9.697) 36.102 14.764 ( -13.103 -0.853 2.976) 13.464 15.539 ( -5.679 -0.710 0.185) 5.726 17.624 ( -4.359 5.611 -26.285) 27.229 17.983 ( 14.637 -6.309 -46.367) 49.030 18.684 ( -32.945 1.303 59.477) 68.004 21.930 ( -3.354 8.353 21.411) 23.226 22.594 ( -6.236 -4.712 -5.437) 9.521 23.528 ( 2.641 -1.330 -12.713) 13.052 24.109 ( 20.492 -0.902 -14.159) 24.924 24.810 ( -12.016 -0.441 2.660) 12.314 25.165 ( 1.087 1.669 0.922) 2.195 25.533 ( 12.470 -2.290 -6.362) 14.185 26.656 ( -3.251 0.326 9.711) 10.246 27.415 ( -18.391 -0.377 12.023) 21.975 49.625 ( -5.029 -0.212 9.454) 10.710 49.907 ( -2.639 0.333 -4.514) 5.239 50.316 ( -1.056 2.526 -1.842) 3.300 50.553 ( -3.508 3.402 5.104) 7.066 50.925 ( -4.793 -9.202 2.976) 10.794 51.999 ( 8.461 2.399 -6.970) 11.222 52.415 ( 3.135 0.822 2.755) 4.254 52.743 ( 0.788 -0.093 -1.768) 1.938 ======================= Grid point 104 (69/156) ======================= q-point: ( 0.10 0.50 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 17.782 -1.219 12.247) 21.626 3.302 ( 7.110 4.796 4.098) 9.505 3.610 ( 3.186 4.557 7.617) 9.430 3.798 ( 0.772 0.647 -3.046) 3.208 4.107 ( -13.814 -11.366 -6.854) 19.158 4.703 ( 14.417 3.043 -8.567) 17.044 5.032 ( 7.370 -2.314 7.806) 10.982 5.273 ( 9.832 -4.825 0.934) 10.991 5.760 ( 2.855 2.608 -2.536) 4.624 5.833 ( -3.344 9.336 -5.674) 11.425 6.173 ( -11.763 0.280 -4.234) 12.505 6.269 ( -5.293 -4.738 -0.700) 7.138 12.689 ( -1.063 -4.841 18.836) 19.477 13.697 ( 12.391 1.151 13.843) 18.614 14.253 ( -7.007 -0.044 -1.034) 7.083 15.416 ( 0.297 0.524 -6.625) 6.652 17.003 ( 2.900 10.206 -36.712) 38.215 17.867 ( 15.458 -9.632 -25.775) 31.561 18.990 ( -12.566 1.034 55.054) 56.479 21.995 ( -10.148 -4.144 -14.152) 17.901 22.190 ( -0.304 0.334 12.365) 12.373 23.568 ( 11.170 4.767 -10.309) 15.930 24.081 ( -6.480 -3.814 -4.068) 8.549 24.625 ( -4.276 4.551 9.567) 11.425 25.268 ( 2.702 1.683 -1.151) 3.385 26.009 ( 13.480 -3.736 -4.745) 14.771 26.546 ( -8.402 0.656 5.809) 10.235 26.979 ( -9.298 0.332 1.152) 9.375 49.713 ( -0.672 -3.213 2.123) 3.910 49.731 ( 0.590 6.030 -2.338) 6.494 50.315 ( 0.941 2.164 0.531) 2.419 50.433 ( -3.222 4.733 0.583) 5.755 50.779 ( -4.967 -11.313 3.040) 12.724 52.131 ( 2.805 0.616 -1.778) 3.378 52.533 ( 0.302 1.168 0.761) 1.426 52.741 ( 0.962 -0.257 -1.320) 1.653 ======================= Grid point 105 (70/156) ======================= q-point: ( 0.10 -0.30 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -25.496 -2.040 1.074) 25.600 2.959 ( -27.185 -22.541 -7.921) 36.192 3.589 ( 6.693 5.199 1.433) 8.596 3.876 ( 5.752 -0.192 1.320) 5.905 4.393 ( 3.167 4.012 5.753) 7.696 4.540 ( -29.721 8.041 -8.043) 31.823 5.040 ( -2.773 5.793 3.612) 7.368 5.225 ( 6.635 9.548 -2.342) 11.861 5.870 ( 11.768 -5.252 3.657) 13.396 6.111 ( 2.892 -9.931 6.663) 12.304 6.137 ( 4.567 4.498 -2.642) 6.933 6.320 ( 12.432 -1.073 -1.648) 12.586 12.291 ( -21.412 -28.209 -3.451) 35.583 13.836 ( -17.899 11.935 25.095) 33.054 14.340 ( 4.925 5.650 2.631) 7.944 15.124 ( 2.204 5.191 -23.076) 23.755 16.375 ( 2.360 4.565 -43.719) 44.020 18.406 ( 12.624 -8.065 11.981) 19.182 19.370 ( -14.647 3.446 39.349) 42.128 21.357 ( 0.685 -14.259 -24.182) 28.081 22.473 ( 3.478 1.202 6.479) 7.451 23.845 ( -2.538 3.377 5.125) 6.641 24.047 ( 16.722 3.251 -6.308) 18.166 24.661 ( -1.772 2.799 8.836) 9.436 25.230 ( -2.466 3.669 -2.032) 4.865 26.276 ( -11.203 0.670 9.570) 14.749 26.354 ( 6.473 -1.683 -3.578) 7.585 26.717 ( 0.828 0.589 -11.895) 11.938 49.573 ( -3.723 5.274 -2.704) 6.999 49.863 ( 2.926 -2.530 2.191) 4.446 50.274 ( -0.456 1.394 -0.553) 1.567 50.524 ( 2.282 -1.961 3.661) 4.739 50.661 ( 0.713 0.380 -2.654) 2.774 52.169 ( -0.019 -1.810 0.109) 1.814 52.474 ( -2.072 -1.079 -1.630) 2.848 52.776 ( 0.598 0.269 0.405) 0.770 ======================= Grid point 112 (71/156) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 27.703 4.800 8.458) 29.360 2.009 ( 23.340 16.181 10.892) 30.417 3.609 ( 19.730 31.953 5.008) 37.886 3.815 ( 3.487 7.523 2.838) 8.764 3.978 ( -3.821 1.570 3.743) 5.574 4.355 ( 0.301 -5.199 -5.898) 7.868 5.043 ( -2.505 2.115 -3.280) 4.638 5.581 ( -21.632 -9.625 -10.877) 26.055 5.972 ( 1.542 -3.771 -9.321) 10.173 6.069 ( 0.962 -6.329 0.569) 6.427 6.480 ( -1.822 0.269 -1.068) 2.129 6.615 ( 2.718 -1.166 2.309) 3.752 11.666 ( 28.457 -1.053 19.004) 34.235 13.360 ( 15.214 31.940 -40.505) 53.780 14.495 ( -10.336 -6.411 5.167) 13.215 15.353 ( -4.728 -2.043 15.671) 16.496 16.575 ( -1.892 1.749 61.462) 61.516 18.650 ( 4.013 -5.420 -24.803) 25.703 19.092 ( 9.018 15.002 -27.552) 32.642 21.421 ( 9.563 -15.838 16.176) 24.576 22.400 ( -12.129 -3.931 -0.015) 12.750 23.911 ( 0.578 8.482 -6.425) 10.657 24.535 ( -4.443 -9.920 -5.379) 12.128 24.869 ( -9.399 2.990 0.080) 9.863 25.172 ( 6.216 7.082 -12.453) 15.617 25.613 ( 2.764 3.535 -3.472) 5.673 26.525 ( 0.459 -0.732 4.719) 4.798 26.770 ( -6.913 -6.409 20.220) 22.309 49.491 ( 2.769 5.669 3.648) 7.288 50.064 ( 1.663 -0.694 -3.092) 3.579 50.254 ( -3.545 -4.661 1.569) 6.063 50.495 ( 4.434 -0.753 -4.422) 6.307 50.810 ( -10.171 1.737 5.146) 11.530 52.003 ( -0.751 -5.590 -1.300) 5.788 52.445 ( 3.919 2.312 2.146) 5.031 52.807 ( 1.239 1.504 -0.808) 2.110 ======================= Grid point 113 (72/156) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 22.271 5.125 1.852) 22.928 3.277 ( 15.416 -10.833 9.734) 21.208 3.435 ( -2.582 0.227 -8.796) 9.170 3.851 ( -11.170 -8.098 -10.342) 17.243 3.914 ( -3.204 4.080 1.013) 5.286 4.626 ( -7.285 -14.810 -1.116) 16.542 4.887 ( -2.690 -6.300 3.537) 7.710 5.016 ( 14.162 13.910 9.867) 22.167 5.771 ( -2.470 -6.624 -1.702) 7.272 6.148 ( 5.360 9.297 -1.596) 10.850 6.413 ( -6.556 6.100 -2.453) 9.285 6.552 ( -2.706 7.138 -2.805) 8.133 13.072 ( 0.057 13.895 -29.225) 32.360 13.308 ( 22.171 -4.059 17.103) 28.294 14.378 ( -1.442 4.239 16.187) 16.794 15.284 ( -1.987 0.917 -0.942) 2.382 17.289 ( -8.672 3.740 32.274) 33.628 18.372 ( 5.987 -1.786 -25.966) 26.707 19.002 ( 6.142 22.640 -10.917) 25.874 21.812 ( -0.264 -16.908 -5.675) 17.837 22.055 ( -2.791 4.954 7.209) 9.181 23.817 ( -1.831 -6.825 -12.120) 14.030 24.167 ( -3.936 9.128 5.880) 11.549 24.773 ( -0.919 5.918 5.903) 8.409 25.075 ( -3.658 1.295 4.843) 6.205 25.986 ( 15.454 -4.516 -7.402) 17.721 26.488 ( -6.094 -0.454 3.180) 6.889 26.743 ( -4.775 -5.799 6.067) 9.656 49.564 ( 0.172 0.994 2.851) 3.025 50.139 ( 2.091 7.359 -0.014) 7.650 50.229 ( -1.019 -4.370 -1.308) 4.674 50.332 ( -8.013 1.128 4.042) 9.045 50.745 ( 6.236 1.446 -3.475) 7.284 51.947 ( -1.594 -9.661 -1.481) 9.903 52.624 ( 1.588 3.235 1.721) 3.994 52.817 ( 0.323 2.261 -1.065) 2.520 ======================= Grid point 114 (73/156) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -20.836 -2.484 -16.004) 26.391 2.909 ( -15.836 8.012 -5.969) 18.724 3.689 ( 13.111 -0.294 3.805) 13.655 3.748 ( -1.783 -1.919 2.054) 3.328 4.082 ( 3.105 -8.902 0.843) 9.466 4.726 ( 11.139 -17.781 5.306) 21.642 5.071 ( -6.422 3.039 7.458) 10.301 5.332 ( 1.514 -14.616 4.669) 15.418 5.561 ( -15.018 11.922 -5.502) 19.949 5.983 ( 2.472 9.671 1.397) 10.079 6.430 ( 6.081 7.321 2.369) 9.807 6.533 ( 1.620 6.335 -2.221) 6.906 12.324 ( -5.957 12.236 -32.066) 34.834 13.720 ( -10.221 -1.047 17.626) 20.402 14.542 ( -1.904 5.650 -3.984) 7.171 15.426 ( 1.480 -1.721 4.640) 5.165 17.362 ( -1.732 5.108 -0.765) 5.447 18.106 ( 6.217 1.831 -16.681) 17.896 19.130 ( -9.604 19.841 25.047) 33.365 21.466 ( 1.187 -7.911 -21.945) 23.358 22.254 ( 3.503 -2.245 3.041) 5.154 23.667 ( 1.495 -3.989 9.603) 10.505 24.341 ( 6.243 1.855 -5.655) 8.625 24.884 ( -0.767 18.082 12.973) 22.268 25.023 ( -2.323 -9.702 0.702) 10.001 26.109 ( -13.759 -3.205 3.193) 14.484 26.436 ( 8.498 -0.673 -4.689) 9.729 26.735 ( 4.661 -6.419 -5.572) 9.694 49.756 ( 0.811 0.316 7.520) 7.570 49.887 ( -5.039 4.165 -0.542) 6.560 50.150 ( -1.195 -1.395 1.995) 2.712 50.412 ( 3.862 4.184 -2.559) 6.243 50.906 ( 4.518 -1.044 -7.130) 8.505 51.866 ( -0.083 -9.987 -0.102) 9.988 52.591 ( -2.458 4.048 -1.476) 4.961 52.828 ( -0.142 2.097 0.877) 2.277 ======================= Grid point 116 (74/156) ======================= q-point: ( 0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -15.154 31.532 -0.000) 34.985 2.101 ( 9.038 27.825 -0.000) 29.256 3.817 ( 5.749 -0.106 0.000) 5.750 3.938 ( 19.557 42.036 -0.000) 46.362 4.013 ( -4.165 -5.254 0.000) 6.704 4.381 ( -5.383 -0.118 -0.000) 5.384 5.119 ( 2.878 2.732 0.000) 3.968 5.560 ( 3.998 -12.901 0.000) 13.506 6.051 ( -11.082 -10.998 -0.000) 15.613 6.058 ( -6.084 -5.693 -0.000) 8.332 6.414 ( 7.475 -4.152 0.000) 8.550 6.449 ( -1.457 -6.065 0.000) 6.238 11.359 ( -6.072 16.689 -0.000) 17.759 14.379 ( 22.894 25.055 -0.000) 33.940 14.484 ( -4.658 -5.327 0.000) 7.076 14.689 ( 1.072 -4.380 0.000) 4.509 16.007 ( 7.862 6.248 0.000) 10.043 18.723 ( -1.390 -10.219 0.000) 10.313 19.585 ( 6.687 17.354 -0.000) 18.598 20.848 ( -7.057 -8.446 0.000) 11.006 22.518 ( -7.382 -4.138 -0.000) 8.463 24.100 ( 5.974 3.826 0.000) 7.094 24.284 ( -3.203 -18.852 0.000) 19.122 24.973 ( 15.163 -5.565 0.000) 16.152 25.129 ( -6.271 3.554 -0.000) 7.209 26.163 ( -8.503 15.046 -0.000) 17.283 26.396 ( 1.877 -1.701 0.000) 2.533 26.496 ( -0.340 -2.491 0.000) 2.514 49.526 ( 5.874 8.821 -0.000) 10.597 49.968 ( 1.864 -4.476 0.000) 4.849 50.335 ( -2.779 -0.817 -0.000) 2.897 50.401 ( -1.259 -1.528 0.000) 1.980 50.824 ( 1.737 -5.374 0.000) 5.648 52.044 ( -8.388 -0.761 -0.000) 8.423 52.416 ( 2.250 3.051 -0.000) 3.792 52.805 ( 1.473 0.396 0.000) 1.525 ======================= Grid point 117 (75/156) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 25.276 1.545 5.945) 26.012 2.750 ( 16.675 13.792 5.124) 22.238 3.669 ( -5.260 0.427 -5.936) 7.942 3.934 ( 1.114 0.275 4.610) 4.750 4.040 ( -9.021 -11.161 -6.154) 15.615 4.650 ( -16.158 -7.598 -1.938) 17.960 4.962 ( 1.829 9.300 -0.083) 9.478 5.010 ( -3.550 8.601 3.402) 9.908 5.756 ( -4.539 -9.690 -6.478) 12.509 6.135 ( 7.712 2.884 1.244) 8.327 6.550 ( 3.003 3.196 0.544) 4.419 6.677 ( 2.959 0.128 -0.844) 3.080 12.238 ( 30.953 -3.749 17.977) 35.990 13.900 ( -7.425 4.122 -19.137) 20.937 14.366 ( 1.622 11.939 -9.042) 15.064 15.430 ( 3.092 8.520 6.589) 11.206 16.766 ( 3.561 12.798 39.141) 41.334 18.551 ( 3.179 -11.923 -18.890) 22.563 19.619 ( 8.408 18.039 -19.302) 27.724 21.254 ( 7.516 -18.493 12.445) 23.523 22.180 ( -5.857 3.209 1.076) 6.765 23.943 ( -5.571 -11.568 -9.922) 16.226 24.277 ( -1.201 2.812 5.096) 5.943 24.743 ( -7.313 2.031 2.602) 8.024 25.409 ( 1.641 8.842 -7.435) 11.668 25.775 ( 4.109 5.426 -1.887) 7.063 26.478 ( -1.721 -3.275 2.327) 4.370 26.573 ( -2.963 -4.268 8.205) 9.712 49.661 ( -2.431 7.622 -0.551) 8.019 50.057 ( 1.834 -6.295 -1.260) 6.676 50.211 ( 5.975 2.783 -1.610) 6.785 50.542 ( -2.027 2.326 -0.681) 3.159 50.665 ( -3.241 -0.590 4.077) 5.241 51.809 ( -3.634 -8.677 0.470) 9.419 52.588 ( 4.238 3.209 1.503) 5.524 52.864 ( 1.120 1.391 -0.720) 1.925 ======================= Grid point 118 (76/156) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -8.543 -5.355 -7.290) 12.442 3.220 ( 3.827 -4.993 -0.725) 6.333 3.297 ( 3.841 -4.008 -2.696) 6.171 3.836 ( -8.058 -1.716 -0.849) 8.282 3.901 ( 7.579 5.323 3.214) 9.803 4.167 ( 1.859 -12.936 -1.002) 13.108 4.768 ( 3.859 -5.407 7.020) 9.665 5.066 ( -7.614 -9.859 0.602) 12.472 5.993 ( 9.480 12.246 6.545) 16.813 6.312 ( -10.391 8.843 -6.078) 14.937 6.483 ( 3.131 6.480 -0.171) 7.198 6.647 ( -0.983 3.574 -0.707) 3.773 13.250 ( -6.317 7.987 -14.058) 17.358 13.561 ( 8.569 1.545 -3.557) 9.405 14.505 ( 6.599 2.590 19.139) 20.410 15.248 ( -3.589 -2.105 -10.799) 11.573 17.304 ( -5.623 12.754 23.547) 27.363 18.387 ( 1.631 -5.393 -11.814) 13.089 19.576 ( 0.007 24.888 -6.994) 25.851 21.451 ( 1.575 -18.149 -6.176) 19.236 22.211 ( 2.737 8.796 2.246) 9.482 23.453 ( -7.525 -12.997 0.379) 15.023 24.372 ( 4.178 4.825 -2.352) 6.802 24.791 ( 2.107 -5.307 5.064) 7.632 25.190 ( -5.675 20.336 4.931) 21.681 26.193 ( 8.272 -2.159 -2.963) 9.048 26.287 ( -5.161 -5.434 0.463) 7.509 26.590 ( 1.056 -5.953 0.845) 6.104 49.611 ( 0.890 2.432 3.862) 4.650 49.988 ( -4.169 -5.587 -0.822) 7.020 50.275 ( -6.475 8.845 5.094) 12.088 50.482 ( 6.460 7.023 -3.890) 10.305 50.882 ( 6.912 -1.929 -4.656) 8.554 51.649 ( -3.069 -13.167 0.319) 13.524 52.718 ( 0.192 4.022 0.216) 4.032 52.859 ( -0.306 1.465 -0.137) 1.503 ======================= Grid point 119 (77/156) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -4.946 19.283 -9.816) 22.195 2.893 ( -7.854 15.155 -9.870) 19.717 3.550 ( -3.099 -5.937 6.374) 9.245 3.867 ( 10.758 -8.550 9.434) 16.669 4.042 ( -1.824 0.260 -4.388) 4.760 4.601 ( 13.018 -17.277 2.742) 21.805 4.923 ( -3.250 -4.404 3.778) 6.650 5.100 ( -11.419 4.086 -3.893) 12.737 5.639 ( 3.351 3.954 3.840) 6.451 6.154 ( -3.616 7.444 -0.669) 8.303 6.549 ( -3.351 2.134 1.186) 4.146 6.650 ( 0.330 1.390 1.894) 2.372 12.695 ( 1.031 26.364 -27.705) 38.258 13.418 ( -15.185 -1.598 21.061) 26.014 14.500 ( -3.136 -2.684 -14.390) 14.970 15.384 ( -2.012 -2.325 9.064) 9.571 17.419 ( -0.648 0.917 -13.780) 13.826 18.230 ( 2.098 2.955 6.290) 7.260 19.232 ( -18.638 15.591 14.889) 28.498 21.496 ( 12.628 -2.247 -11.552) 17.261 22.213 ( -1.395 -4.285 -2.528) 5.167 23.695 ( 6.639 -1.782 16.153) 17.555 24.385 ( -0.687 -3.766 -6.086) 7.189 24.807 ( -0.880 -4.345 -3.852) 5.873 25.259 ( -2.932 11.096 7.688) 13.814 25.741 ( -9.843 0.471 1.505) 9.969 26.534 ( 4.250 -2.926 -3.597) 6.290 26.729 ( 7.155 -6.632 -7.097) 12.064 49.643 ( -5.099 -1.531 1.500) 5.531 50.021 ( 7.006 2.637 2.267) 7.821 50.172 ( -2.166 4.960 2.290) 5.876 50.550 ( -1.640 3.824 -1.614) 4.463 50.773 ( -2.789 -10.262 -7.241) 12.865 51.801 ( 7.851 -3.657 1.742) 8.835 52.624 ( -2.665 3.943 -2.131) 5.214 52.845 ( -1.569 1.146 1.347) 2.365 ======================= Grid point 121 (78/156) ======================= q-point: ( 0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -1.267 23.958 -0.000) 23.992 2.809 ( 9.815 20.358 -0.000) 22.600 3.762 ( -4.277 -8.903 0.000) 9.877 3.800 ( 3.189 -5.621 0.000) 6.463 4.110 ( -12.416 -5.482 -0.000) 13.572 4.876 ( -12.365 -5.268 -0.000) 13.441 5.139 ( -7.332 -0.371 -0.000) 7.341 5.256 ( 5.527 22.019 -0.000) 22.702 5.708 ( -3.155 -12.197 0.000) 12.598 5.998 ( 5.745 1.716 0.000) 5.995 6.427 ( 8.009 -3.269 0.000) 8.651 6.485 ( 9.185 -6.096 0.000) 11.024 11.673 ( 7.945 10.920 -0.000) 13.504 14.279 ( -12.118 2.363 -0.000) 12.346 14.721 ( 7.718 -0.531 0.000) 7.736 15.205 ( 16.835 11.107 0.000) 20.169 16.456 ( 16.554 14.048 0.000) 21.711 18.388 ( -1.015 -20.304 0.000) 20.330 20.117 ( 6.879 20.159 -0.000) 21.300 20.623 ( 0.591 -8.367 0.000) 8.388 22.326 ( -5.214 0.439 -0.000) 5.233 23.795 ( -5.917 -19.765 0.000) 20.631 24.288 ( 4.031 4.318 -0.000) 5.907 25.024 ( -10.876 4.340 -0.000) 11.710 25.212 ( 16.023 -2.398 0.000) 16.202 26.280 ( -10.213 15.595 -0.000) 18.642 26.311 ( 0.051 -10.782 0.000) 10.782 26.481 ( 0.359 2.029 -0.000) 2.060 49.885 ( 5.639 11.714 -0.000) 13.001 49.906 ( 1.720 -5.923 0.000) 6.168 50.201 ( -4.230 -0.485 -0.000) 4.258 50.403 ( 4.435 -3.160 0.000) 5.446 50.743 ( -0.968 -2.296 0.000) 2.492 51.827 ( -10.155 -1.653 -0.000) 10.289 52.554 ( 4.220 3.494 0.000) 5.479 52.844 ( 2.170 -0.501 0.000) 2.227 ======================= Grid point 122 (79/156) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 16.921 0.344 4.570) 17.531 3.059 ( -1.733 -1.093 -1.515) 2.548 3.558 ( -8.735 -4.241 -5.521) 11.170 3.803 ( -6.016 -12.958 0.701) 14.304 3.854 ( 2.501 3.410 1.861) 4.620 4.100 ( -2.183 4.509 0.164) 5.013 4.735 ( -9.101 -2.790 -0.373) 9.527 5.111 ( -12.038 -9.471 -4.082) 15.852 5.946 ( 10.773 16.284 4.737) 20.091 6.358 ( 7.265 0.406 1.740) 7.481 6.658 ( 0.696 3.012 -1.087) 3.277 6.713 ( 1.660 -1.425 -2.189) 3.095 12.760 ( 28.929 -5.379 16.915) 33.940 13.612 ( -18.780 0.666 6.102) 19.758 14.786 ( 7.886 15.590 -22.402) 28.410 15.566 ( -1.628 -1.883 -10.924) 11.204 17.225 ( 4.415 23.148 23.655) 33.390 18.279 ( 0.875 -18.889 -6.746) 20.077 20.149 ( 5.705 18.830 -10.097) 22.115 20.971 ( 2.185 -18.087 7.445) 19.681 22.323 ( 5.438 10.327 0.148) 11.672 23.393 ( -12.787 -17.821 -2.090) 22.033 24.429 ( 4.259 3.698 -0.493) 5.662 24.651 ( -5.280 1.276 2.666) 6.051 25.655 ( 1.947 12.264 -2.949) 12.763 25.996 ( 5.360 5.995 -1.468) 8.175 26.300 ( -3.027 -8.834 1.182) 9.413 26.435 ( -3.685 -3.615 2.791) 5.869 49.705 ( -4.048 5.382 -0.425) 6.748 49.920 ( -0.942 -7.016 -0.818) 7.126 50.479 ( 1.649 6.690 -3.075) 7.545 50.587 ( -1.920 6.899 2.858) 7.710 50.669 ( 11.646 -2.614 1.080) 11.985 51.497 ( -7.640 -10.429 0.506) 12.938 52.738 ( 3.499 3.297 0.691) 4.857 52.893 ( -0.040 -0.063 -0.492) 0.498 ======================= Grid point 123 (80/156) ======================= q-point: ( 0.10 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -1.213 5.226 -1.441) 5.555 3.129 ( 1.791 -1.105 -8.887) 9.133 3.235 ( -0.100 -9.867 9.517) 13.709 3.707 ( 2.350 0.562 4.041) 4.708 4.038 ( 2.749 -4.408 -5.328) 7.441 4.193 ( 0.815 0.880 -3.856) 4.038 4.696 ( 1.100 -5.577 1.316) 5.834 4.880 ( 9.688 -2.906 6.912) 12.250 6.204 ( -10.765 8.349 -6.176) 14.958 6.361 ( -1.438 7.796 1.385) 8.047 6.582 ( -1.412 -3.315 3.067) 4.732 6.643 ( -2.669 3.148 0.284) 4.137 13.087 ( -15.210 0.065 20.603) 25.609 13.780 ( 3.425 4.372 -20.663) 21.396 14.780 ( 9.740 8.281 -2.729) 13.073 15.028 ( -4.235 -9.297 -7.000) 12.385 17.536 ( -3.759 16.134 11.312) 20.060 18.203 ( -3.816 -9.279 2.837) 10.426 19.905 ( -14.225 17.740 -6.272) 23.588 21.202 ( 10.277 -15.293 -1.563) 18.491 22.398 ( -6.071 7.251 -4.905) 10.653 23.172 ( 7.302 -8.159 9.809) 14.701 24.457 ( -1.667 0.233 -2.124) 2.710 24.754 ( 5.312 -3.413 -1.515) 6.493 25.540 ( -5.181 16.986 1.698) 17.840 25.939 ( -11.023 -0.510 1.364) 11.119 26.370 ( 8.094 -4.968 -2.421) 9.800 26.523 ( 6.346 -6.903 -0.751) 9.407 49.663 ( -1.593 2.360 1.607) 3.270 49.896 ( 3.423 -1.790 0.172) 3.867 50.337 ( -4.523 7.865 3.259) 9.641 50.683 ( 2.989 1.617 -1.382) 3.669 50.839 ( -8.173 -4.255 -7.886) 12.128 51.450 ( 9.385 -7.436 3.932) 12.603 52.777 ( -2.169 2.686 -1.154) 3.640 52.861 ( -0.759 0.337 1.044) 1.334 ======================= Grid point 126 (81/156) ======================= q-point: ( 0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 3.186 17.147 -0.000) 17.440 3.085 ( -3.391 -4.059 0.000) 5.289 3.649 ( -2.789 -10.663 0.000) 11.022 3.736 ( 0.898 1.263 -0.000) 1.549 3.792 ( -1.062 5.068 -0.000) 5.179 4.334 ( -12.583 -3.360 -0.000) 13.023 4.882 ( -12.166 -2.313 -0.000) 12.384 5.206 ( -11.772 -12.228 0.000) 16.973 6.060 ( 10.265 18.713 -0.000) 21.344 6.200 ( 6.315 1.484 0.000) 6.487 6.523 ( 8.545 -8.159 0.000) 11.815 6.547 ( 9.393 -4.142 0.000) 10.265 12.111 ( 15.035 8.613 0.000) 17.327 14.074 ( -19.317 8.575 -0.000) 21.135 14.988 ( 14.535 3.399 0.000) 14.927 15.464 ( 7.914 -9.140 0.000) 12.090 17.207 ( 20.492 18.797 0.000) 27.807 17.845 ( -1.986 -29.383 0.000) 29.450 20.471 ( -0.464 -7.608 0.000) 7.622 20.663 ( 3.797 21.508 -0.000) 21.841 22.396 ( 5.108 7.071 -0.000) 8.723 23.233 ( -9.530 -19.004 0.000) 21.260 24.430 ( 2.385 3.001 -0.000) 3.833 24.894 ( -10.284 4.355 -0.000) 11.168 25.535 ( 15.324 2.238 0.000) 15.487 25.992 ( -0.894 -18.909 0.000) 18.930 26.394 ( -8.271 13.925 -0.000) 16.196 26.513 ( -3.878 3.534 -0.000) 5.247 49.781 ( -0.323 -7.283 0.000) 7.290 49.948 ( -8.483 3.566 -0.000) 9.203 50.309 ( 9.159 -6.782 0.000) 11.396 50.579 ( 9.789 12.515 -0.000) 15.888 50.713 ( -0.463 0.612 -0.000) 0.768 51.560 ( -12.269 -1.957 -0.000) 12.424 52.711 ( 4.303 2.741 0.000) 5.101 52.859 ( 1.491 -2.077 0.000) 2.556 ======================= Grid point 127 (82/156) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -4.691 -1.590 1.469) 5.166 2.925 ( 4.691 1.590 1.469) 5.166 3.426 ( 0.379 -4.264 -2.036) 4.741 3.426 ( -0.379 4.264 -2.036) 4.741 4.173 ( -2.726 -1.765 0.063) 3.248 4.173 ( 2.726 1.765 0.063) 3.248 4.672 ( -7.151 -5.849 -0.649) 9.261 4.672 ( 7.151 5.849 -0.649) 9.261 6.348 ( -1.741 -8.411 3.222) 9.174 6.348 ( 1.741 8.411 3.222) 9.174 6.701 ( 1.671 -2.567 -2.340) 3.854 6.701 ( -1.671 2.567 -2.340) 3.854 13.212 ( -21.180 1.742 14.015) 25.457 13.212 ( 21.180 -1.742 14.015) 25.457 15.276 ( -8.032 -13.822 -20.412) 25.927 15.276 ( 8.032 13.822 -20.412) 25.927 17.810 ( -2.524 -24.534 8.089) 25.956 17.810 ( 2.524 24.534 8.089) 25.956 20.607 ( 1.963 -20.914 -0.584) 21.014 20.607 ( -1.963 20.914 -0.584) 21.014 22.780 ( -10.851 -16.402 -0.439) 19.671 22.780 ( 10.851 16.402 -0.439) 19.671 24.562 ( -2.393 -2.074 0.569) 3.217 24.562 ( 2.393 2.074 0.569) 3.217 25.977 ( -2.270 -13.230 -1.277) 13.484 25.977 ( 2.270 13.230 -1.277) 13.484 26.253 ( -4.406 -5.358 0.950) 7.001 26.253 ( 4.406 5.358 0.950) 7.001 49.773 ( 0.469 -5.967 -0.015) 5.986 49.773 ( -0.469 5.967 -0.015) 5.986 50.569 ( 4.408 -7.360 -0.574) 8.598 50.569 ( -4.408 7.360 -0.574) 8.598 51.077 ( -11.071 -10.957 0.626) 15.589 51.077 ( 11.071 10.957 0.626) 15.589 52.851 ( -1.832 -2.098 -0.017) 2.785 52.851 ( 1.832 2.098 -0.017) 2.785 ======================= Grid point 129 (83/156) ======================= q-point: ( 0.10 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.711 -14.039 10.148) 17.337 3.143 ( 3.279 -2.246 3.528) 5.315 3.383 ( 4.024 14.074 -7.329) 16.370 3.792 ( 1.511 -1.037 2.565) 3.153 3.955 ( -7.472 -1.004 0.224) 7.542 4.167 ( 16.848 0.526 -2.771) 17.082 4.924 ( 10.950 7.942 -7.734) 15.582 5.052 ( 9.656 -2.340 1.126) 9.999 6.095 ( -11.445 1.315 -3.063) 11.921 6.214 ( -9.754 -9.870 3.288) 14.261 6.480 ( -6.895 4.711 0.066) 8.352 6.621 ( -4.694 1.299 1.875) 5.219 12.718 ( -17.040 -2.466 29.607) 34.250 13.820 ( 1.242 -3.678 -19.335) 19.721 14.756 ( -4.553 -7.412 -0.681) 8.725 15.197 ( 8.144 10.452 -10.521) 16.919 17.601 ( -7.299 -3.001 -7.351) 10.785 18.025 ( -3.798 4.699 23.480) 24.245 19.682 ( -22.234 0.062 -16.821) 27.880 21.271 ( 12.825 -3.803 12.787) 18.506 22.273 ( -6.695 -0.377 -4.167) 7.895 23.406 ( 12.757 4.232 5.083) 14.369 24.367 ( -4.861 -0.166 -1.564) 5.109 24.862 ( 8.255 -0.932 -2.392) 8.645 25.315 ( -18.504 -3.253 -7.872) 20.370 26.120 ( 1.861 14.519 4.447) 15.299 26.312 ( 5.271 -10.839 -2.008) 12.219 26.588 ( 6.377 -1.500 1.154) 6.652 49.688 ( -0.852 3.640 -4.006) 5.480 49.971 ( 6.585 -3.719 0.904) 7.616 50.388 ( -4.932 -4.085 -4.851) 8.034 50.407 ( -11.998 1.561 2.022) 12.267 50.798 ( 0.887 3.323 3.999) 5.275 51.635 ( 12.654 -0.730 1.835) 12.807 52.719 ( -4.061 -1.286 0.159) 4.262 52.858 ( -1.424 0.897 0.024) 1.683 ======================= Grid point 131 (84/156) ======================= q-point: ( 0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -9.885 19.182 -0.447) 21.584 3.125 ( -3.152 15.515 -4.632) 16.496 3.477 ( -1.275 -7.213 5.133) 8.945 3.726 ( -0.852 -3.402 -4.899) 6.025 4.173 ( -5.632 -10.791 4.602) 13.013 4.853 ( -3.672 -10.275 -0.619) 10.929 5.227 ( 2.419 1.927 2.243) 3.821 5.447 ( -6.252 -13.958 3.626) 15.718 5.653 ( 10.138 24.409 -4.219) 26.765 5.927 ( -1.980 -1.205 4.974) 5.487 6.118 ( 7.994 -8.599 0.798) 11.768 6.201 ( 7.418 -4.717 -7.134) 11.321 12.243 ( -16.323 19.443 -5.479) 25.971 14.187 ( 5.578 1.808 22.056) 22.822 14.434 ( 7.551 0.647 3.808) 8.482 15.256 ( 5.224 -1.486 -14.709) 15.679 16.604 ( 17.999 2.602 -33.871) 38.445 17.916 ( -5.082 -21.607 3.267) 22.436 19.746 ( 5.248 12.549 43.182) 45.274 21.212 ( -7.577 8.192 -29.023) 31.095 22.369 ( -4.067 -0.886 6.636) 7.833 23.606 ( -4.631 -13.675 -8.048) 16.529 24.149 ( 10.328 1.286 4.155) 11.207 24.863 ( 9.933 4.109 9.127) 14.102 25.251 ( -4.661 1.059 -0.089) 4.781 26.118 ( -2.475 -13.348 -4.491) 14.299 26.478 ( 0.177 8.812 5.464) 10.370 26.755 ( -3.421 6.739 -4.649) 8.873 49.755 ( 0.585 -2.884 2.726) 4.011 49.844 ( 9.959 2.615 -1.815) 10.455 50.333 ( 1.010 3.177 2.286) 4.043 50.412 ( -10.530 4.085 3.656) 11.872 50.628 ( 4.114 -5.517 -4.650) 8.305 52.050 ( -8.427 -0.424 -1.535) 8.576 52.550 ( 3.160 2.519 -0.684) 4.099 52.775 ( 1.760 -1.651 -0.095) 2.416 ======================= Grid point 132 (85/156) ======================= q-point: ( 0.10 -0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 2.232 11.806 -0.000) 12.015 2.958 ( 1.899 0.550 0.000) 1.977 3.446 ( -1.023 0.228 -0.000) 1.048 3.562 ( -4.882 0.034 -0.000) 4.882 4.186 ( -2.822 -3.059 0.000) 4.162 4.232 ( 2.839 10.799 -0.000) 11.166 4.657 ( -1.229 1.166 -0.000) 1.694 4.740 ( -9.953 -6.803 -0.000) 12.055 6.203 ( -3.311 -6.039 0.000) 6.887 6.469 ( 2.969 7.942 -0.000) 8.478 6.514 ( 8.248 -8.732 0.000) 12.011 6.609 ( 6.646 -6.178 0.000) 9.074 12.648 ( 17.532 11.116 0.000) 20.759 13.818 ( -26.111 11.611 -0.000) 28.576 15.246 ( 1.313 -18.624 0.000) 18.670 15.377 ( 15.189 1.714 0.000) 15.286 17.120 ( -3.260 -34.992 0.000) 35.143 17.966 ( 19.165 14.009 0.000) 23.739 20.271 ( -4.329 -7.238 0.000) 8.434 21.131 ( -1.479 21.535 -0.000) 21.586 22.660 ( -10.048 -16.201 0.000) 19.064 22.798 ( 14.381 11.132 0.000) 18.186 24.520 ( 0.418 3.403 -0.000) 3.428 24.762 ( -9.978 2.110 -0.000) 10.198 25.530 ( 1.548 -25.268 0.000) 25.315 25.904 ( 13.432 3.981 0.000) 14.009 26.454 ( -9.620 4.439 -0.000) 10.594 26.498 ( -5.569 9.612 -0.000) 11.109 49.625 ( -0.246 -6.510 0.000) 6.514 49.896 ( -1.831 2.863 -0.000) 3.398 50.274 ( 4.709 -8.531 0.000) 9.744 50.709 ( -0.874 -1.204 0.000) 1.488 51.118 ( 10.977 15.775 -0.000) 19.218 51.251 ( -14.720 -0.316 -0.000) 14.724 52.814 ( -0.177 -3.618 0.000) 3.623 52.826 ( 3.158 0.639 0.000) 3.222 ======================= Grid point 137 (86/156) ======================= q-point: ( 0.10 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -2.571 -9.824 4.626) 11.159 3.135 ( -4.969 6.219 -6.273) 10.134 3.475 ( -4.666 6.515 3.144) 8.608 3.743 ( -3.326 -7.632 -1.317) 8.429 3.904 ( 4.335 5.460 2.275) 7.333 4.476 ( -10.607 -4.280 -4.567) 12.316 5.078 ( -7.361 -9.077 4.324) 12.461 5.166 ( -6.351 -1.919 -2.343) 7.036 5.882 ( 9.069 -9.275 9.430) 16.037 6.146 ( 9.640 -5.027 0.516) 10.884 6.258 ( 6.759 5.747 -5.859) 10.633 6.356 ( 8.062 5.836 -5.957) 11.600 12.431 ( -4.133 19.351 -5.125) 20.441 14.268 ( 3.117 -2.244 27.682) 27.948 14.657 ( 11.398 1.822 -2.795) 11.876 15.158 ( -2.527 -9.525 -6.490) 11.799 17.133 ( 26.153 1.322 -24.784) 36.055 17.324 ( -2.375 -27.753 -9.009) 29.276 20.059 ( 1.864 9.251 40.015) 41.113 21.340 ( -3.877 14.741 -20.522) 25.563 22.352 ( 0.659 3.162 7.889) 8.524 23.227 ( -7.411 -10.619 -14.163) 19.191 24.379 ( 6.887 3.684 3.554) 8.581 25.070 ( -1.559 -2.223 5.871) 6.468 25.254 ( 7.446 4.985 4.879) 10.203 25.705 ( -4.003 -18.344 -6.821) 19.976 26.641 ( -2.436 8.401 4.582) 9.874 26.817 ( -6.582 8.680 -1.841) 11.048 49.663 ( -1.626 -3.531 1.830) 4.297 50.041 ( 7.090 -4.768 -2.600) 8.931 50.216 ( -11.094 2.196 0.008) 11.309 50.577 ( 6.981 5.676 5.053) 10.319 50.660 ( 5.439 4.730 -0.194) 7.211 51.840 ( -10.853 -0.312 -3.026) 11.271 52.667 ( 3.790 0.922 0.471) 3.929 52.773 ( 2.094 -2.477 -0.874) 3.359 ======================= Grid point 138 (87/156) ======================= q-point: ( 0.10 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -8.524 11.893 -0.000) 14.632 3.165 ( -3.227 5.074 -0.000) 6.013 3.605 ( 4.377 6.599 -0.000) 7.919 3.680 ( 16.660 3.473 0.000) 17.018 3.945 ( -5.465 -2.267 -0.000) 5.917 4.135 ( -13.549 3.800 -0.000) 14.072 4.680 ( 4.042 3.501 0.000) 5.348 5.004 ( 13.666 5.514 0.000) 14.737 5.829 ( -11.410 -11.988 0.000) 16.550 6.472 ( -6.249 -2.958 -0.000) 6.914 6.498 ( 6.495 -8.043 0.000) 10.338 6.624 ( 6.513 -5.788 0.000) 8.713 13.268 ( 16.194 14.648 0.000) 21.836 13.463 ( -31.887 11.327 -0.000) 33.839 14.871 ( 0.109 -16.608 0.000) 16.608 15.481 ( 1.035 -15.205 0.000) 15.240 16.392 ( 0.897 -27.324 0.000) 27.339 18.531 ( 15.525 5.750 0.000) 16.556 19.999 ( -8.267 -6.316 -0.000) 10.403 21.503 ( -4.248 21.606 -0.000) 22.019 22.190 ( -6.838 -12.454 0.000) 14.208 23.378 ( 19.124 10.306 0.000) 21.724 24.508 ( -10.830 -7.207 -0.000) 13.009 24.609 ( -1.036 6.463 -0.000) 6.545 25.116 ( 7.080 -21.385 0.000) 22.526 26.213 ( 9.681 2.407 0.000) 9.976 26.325 ( -12.983 6.376 -0.000) 14.465 26.548 ( -3.322 4.117 -0.000) 5.290 49.527 ( 1.833 -4.464 0.000) 4.826 50.005 ( 4.780 4.574 0.000) 6.616 50.180 ( 3.562 -8.417 0.000) 9.139 50.565 ( -6.207 -5.935 -0.000) 8.588 50.998 ( -11.798 2.876 -0.000) 12.144 51.615 ( 6.716 14.141 -0.000) 15.654 52.710 ( -1.855 -4.205 0.000) 4.596 52.863 ( 1.603 -1.646 0.000) 2.298 ======================= Grid point 141 (88/156) ======================= q-point: ( 0.10 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.001 -19.353 15.145) 24.757 3.049 ( 2.425 -22.927 9.646) 24.992 3.565 ( -7.082 1.440 -1.011) 7.297 3.888 ( 4.170 3.134 -1.208) 5.354 4.105 ( -9.166 7.487 -6.181) 13.352 4.451 ( 13.548 -22.541 11.489) 28.699 4.751 ( -3.042 -2.121 -1.458) 3.985 5.189 ( -3.972 2.369 -3.736) 5.945 5.712 ( -0.129 -5.571 -7.824) 9.606 5.969 ( 2.212 0.955 -8.168) 8.516 6.324 ( 2.705 4.004 0.532) 4.861 6.500 ( 3.738 7.015 -4.699) 9.234 12.687 ( 3.603 0.331 12.563) 13.074 13.339 ( 2.025 -22.585 32.211) 39.392 14.492 ( 4.853 9.700 -1.460) 10.944 15.377 ( -5.344 2.111 -3.443) 6.698 17.231 ( 16.126 -5.459 -35.756) 39.602 17.355 ( -3.373 -18.496 -40.197) 44.376 19.333 ( 1.118 16.617 57.708) 60.064 22.022 ( -10.563 6.665 -9.114) 15.462 22.290 ( 1.148 8.556 8.984) 12.459 23.454 ( 1.105 -6.887 -16.058) 17.507 24.212 ( 8.020 1.410 0.271) 8.148 24.793 ( 3.705 0.200 6.783) 7.732 25.222 ( 0.003 0.234 2.503) 2.514 25.612 ( -5.380 -14.166 -6.114) 16.340 26.718 ( -0.293 6.972 7.482) 10.231 27.152 ( -5.676 12.203 2.392) 13.669 49.642 ( -3.254 0.666 3.470) 4.803 49.890 ( 6.609 -0.549 -2.767) 7.185 50.378 ( 3.334 1.627 2.677) 4.575 50.541 ( -9.430 -1.513 -0.185) 9.553 50.696 ( 2.420 11.122 3.873) 12.024 52.019 ( -4.003 -3.894 -3.814) 6.763 52.560 ( 2.769 -2.261 1.853) 4.026 52.733 ( 1.384 -0.904 -2.161) 2.721 ======================= Grid point 142 (89/156) ======================= q-point: ( 0.10 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 6.342 -3.694 8.868) 11.511 3.246 ( 3.472 3.013 -2.394) 5.183 3.401 ( -3.049 0.258 6.633) 7.305 3.589 ( -2.797 1.920 -3.522) 4.890 4.128 ( 0.673 -1.662 1.246) 2.183 4.457 ( 3.820 11.251 -7.247) 13.917 4.794 ( -8.342 0.041 0.620) 8.366 4.958 ( -11.245 0.351 -6.547) 13.017 5.892 ( 14.927 -13.525 12.241) 23.571 6.150 ( 3.215 -7.751 -0.766) 8.427 6.360 ( 3.546 -3.844 -8.194) 9.721 6.583 ( 2.057 2.486 -1.283) 3.473 12.854 ( 3.959 21.023 -0.657) 21.402 14.194 ( 2.546 -10.805 33.421) 35.216 14.786 ( -12.972 -1.275 -12.147) 17.817 15.001 ( 14.517 -4.818 3.047) 15.596 16.702 ( -0.073 -27.896 -23.157) 36.255 17.666 ( 27.882 -5.249 -17.681) 33.430 20.144 ( -8.014 4.797 33.927) 35.189 21.625 ( -1.693 17.295 -5.593) 18.256 22.416 ( -2.508 -1.769 8.968) 9.478 22.976 ( 0.922 -1.164 -18.890) 18.948 24.579 ( 2.719 5.909 3.131) 7.219 24.935 ( -0.074 -7.933 1.949) 8.169 25.052 ( -10.013 -16.561 -2.638) 19.532 25.714 ( 13.479 3.974 -0.214) 14.054 26.696 ( -6.585 5.837 4.567) 9.914 26.828 ( -8.844 7.719 -1.447) 11.828 49.565 ( -1.548 -2.471 -1.687) 3.369 49.970 ( -3.148 -1.914 -0.347) 3.701 50.106 ( -0.384 -2.497 -0.920) 2.688 50.630 ( 1.970 -3.136 1.495) 3.993 51.117 ( 7.415 14.066 9.305) 18.423 51.621 ( -8.842 1.361 -6.756) 11.210 52.698 ( 1.811 -3.631 1.713) 4.404 52.780 ( 2.417 -1.314 -1.817) 3.297 ======================= Grid point 143 (90/156) ======================= q-point: ( 0.10 -0.10 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -20.626 -9.448 -0.000) 22.687 2.993 ( -27.926 14.256 -0.000) 31.354 3.741 ( 2.911 5.201 -0.000) 5.960 3.752 ( -0.853 -9.171 0.000) 9.210 4.211 ( 8.873 12.540 -0.000) 15.362 4.550 ( 21.841 18.539 0.000) 28.648 4.731 ( -21.788 -22.682 0.000) 31.452 4.880 ( 5.997 3.362 0.000) 6.875 5.790 ( 12.158 6.783 0.000) 13.922 6.217 ( -7.563 -5.184 -0.000) 9.170 6.452 ( 3.882 -6.192 0.000) 7.309 6.590 ( 3.768 -7.580 0.000) 8.465 12.952 ( -36.107 6.166 -0.000) 36.629 13.869 ( 12.530 14.116 -0.000) 18.875 14.652 ( 3.647 -7.526 0.000) 8.363 14.762 ( -13.666 -33.016 0.000) 35.732 16.096 ( 2.375 -10.951 0.000) 11.206 18.833 ( 10.879 -2.391 0.000) 11.139 19.692 ( -11.593 -3.238 -0.000) 12.037 21.849 ( -3.822 -10.844 0.000) 11.498 21.905 ( 0.221 22.439 -0.000) 22.441 23.948 ( 20.283 4.683 0.000) 20.817 24.079 ( -6.568 -14.289 0.000) 15.726 24.760 ( -1.728 11.144 -0.000) 11.277 24.936 ( 7.924 -12.862 0.000) 15.107 26.205 ( -13.595 8.693 -0.000) 16.137 26.392 ( 5.380 0.119 0.000) 5.381 26.536 ( -1.378 -0.326 -0.000) 1.416 49.498 ( 1.659 -2.960 0.000) 3.393 50.089 ( 2.998 -6.640 0.000) 7.285 50.261 ( 9.117 5.668 0.000) 10.735 50.303 ( -7.034 -3.290 -0.000) 7.765 50.840 ( -7.961 0.199 -0.000) 7.964 51.959 ( 2.387 10.240 -0.000) 10.515 52.578 ( -2.867 -3.596 0.000) 4.599 52.837 ( 0.420 -2.409 0.000) 2.446 ======================= Grid point 146 (91/156) ======================= q-point: ( 0.10 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 10.298 -7.561 19.937) 23.680 2.644 ( 6.464 -19.990 19.214) 28.470 3.543 ( 0.304 5.144 -4.334) 6.733 3.968 ( -1.866 0.827 -11.608) 11.786 4.073 ( -1.470 0.242 2.596) 2.993 4.421 ( 21.922 -16.964 14.755) 31.402 4.796 ( 2.636 4.384 -5.744) 7.692 5.216 ( -3.899 9.055 -6.778) 11.964 5.523 ( -5.794 -5.844 -9.870) 12.850 5.999 ( 1.348 -2.171 -7.151) 7.594 6.426 ( 1.411 0.949 -0.850) 1.901 6.584 ( 0.039 -2.149 -2.460) 3.267 12.775 ( 6.325 -8.268 28.619) 30.454 13.063 ( 13.334 -10.834 25.852) 31.040 14.731 ( -0.885 4.980 3.540) 6.174 15.314 ( -5.619 4.582 -9.263) 11.763 16.918 ( -1.273 -13.289 -42.023) 44.092 17.505 ( 21.879 -10.290 -39.596) 46.394 19.560 ( -10.834 11.288 57.723) 59.806 21.973 ( -6.326 7.623 7.537) 12.447 22.455 ( -4.207 7.704 3.366) 9.401 23.316 ( -1.138 -5.153 -22.003) 22.627 24.363 ( 11.386 -9.362 0.571) 14.752 24.792 ( -0.317 -0.099 -5.142) 5.153 25.114 ( -8.351 -3.982 3.453) 9.875 25.518 ( 10.752 1.412 -0.124) 10.845 26.781 ( -4.118 3.276 8.080) 9.642 27.225 ( -11.059 11.121 2.307) 15.853 49.608 ( -1.976 1.528 1.008) 2.694 49.947 ( 1.392 -1.769 -2.322) 3.234 50.249 ( -11.715 -0.282 -0.016) 11.718 50.492 ( 2.842 0.383 2.945) 4.110 51.072 ( 5.971 10.761 8.101) 14.734 51.851 ( -2.728 -3.030 -6.397) 7.585 52.543 ( 1.984 -3.589 2.506) 4.807 52.746 ( 1.772 -1.438 -2.298) 3.239 ======================= Grid point 147 (92/156) ======================= q-point: ( 0.10 0.70 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 15.536 10.542 14.145) 23.507 3.269 ( 6.922 -5.929 11.206) 14.444 3.501 ( -6.527 5.653 -5.754) 10.376 3.677 ( 6.361 4.882 -2.360) 8.359 4.002 ( -3.014 0.223 -3.550) 4.662 4.618 ( -14.139 4.639 -3.894) 15.382 4.729 ( 1.334 2.993 -0.846) 3.384 5.014 ( 6.449 12.760 -9.985) 17.439 5.886 ( -3.523 -10.662 -0.828) 11.259 5.976 ( 9.496 -9.184 9.729) 16.407 6.293 ( 3.618 -9.401 -5.421) 11.439 6.547 ( -2.287 -4.660 -0.648) 5.232 13.375 ( 3.915 17.942 10.149) 20.982 13.981 ( 3.357 -14.048 35.950) 38.743 14.395 ( -19.205 -2.235 -13.048) 23.325 15.121 ( 6.241 -7.974 -5.524) 11.535 16.294 ( 5.114 -14.403 -35.204) 38.379 18.045 ( 25.358 -11.009 -9.606) 29.266 19.960 ( -14.641 1.267 35.263) 38.203 21.869 ( -3.639 5.655 -4.699) 8.204 22.202 ( -7.174 1.246 2.983) 7.869 23.227 ( 14.768 4.192 -8.614) 17.604 24.438 ( -5.895 -20.791 -6.287) 22.507 24.687 ( -1.796 2.480 8.095) 8.654 24.936 ( -0.785 6.162 -4.232) 7.516 26.041 ( 11.906 1.204 -0.853) 11.997 26.621 ( -8.395 2.333 4.770) 9.933 26.778 ( -9.480 6.204 -2.439) 11.589 49.508 ( -1.072 -0.182 -3.931) 4.078 49.919 ( 1.600 -2.694 0.690) 3.208 50.091 ( 1.847 1.452 -0.813) 2.486 50.540 ( -3.684 -3.865 2.582) 5.931 51.175 ( -9.168 -2.113 5.509) 10.902 51.789 ( 5.896 12.221 -2.969) 13.891 52.634 ( 0.321 -4.178 0.667) 4.243 52.786 ( 1.843 -2.391 -0.988) 3.177 ======================= Grid point 148 (93/156) ======================= q-point: ( 0.10 -0.10 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -28.144 -9.504 -0.000) 29.705 2.540 ( -37.551 5.542 -0.000) 37.958 3.418 ( -26.780 -19.910 -0.000) 33.370 3.786 ( -10.819 -4.007 -0.000) 11.537 3.934 ( 3.902 5.734 -0.000) 6.935 4.510 ( 0.068 2.937 -0.000) 2.938 4.996 ( 2.509 0.776 0.000) 2.627 5.315 ( 20.252 6.312 0.000) 21.213 6.102 ( 1.597 2.246 -0.000) 2.756 6.162 ( 9.505 5.097 0.000) 10.785 6.479 ( 6.350 0.946 0.000) 6.420 6.487 ( 2.314 -7.947 0.000) 8.278 12.197 ( -33.584 -10.328 -0.000) 35.137 13.874 ( -18.615 -15.846 -0.000) 24.446 14.337 ( 10.424 8.659 0.000) 13.551 14.693 ( 6.126 -0.099 0.000) 6.127 15.934 ( -2.228 -4.793 0.000) 5.286 18.910 ( 5.958 -5.847 0.000) 8.348 19.403 ( -13.449 0.357 -0.000) 13.453 21.560 ( 1.005 -15.069 0.000) 15.102 22.403 ( 4.676 18.291 -0.000) 18.879 23.762 ( -2.482 -4.444 0.000) 5.090 24.383 ( 18.736 -1.057 0.000) 18.766 24.864 ( 6.644 -9.180 0.000) 11.332 24.975 ( -1.570 11.800 -0.000) 11.904 26.116 ( -13.220 8.879 -0.000) 15.925 26.447 ( 1.908 -2.385 0.000) 3.054 26.502 ( 0.215 -0.537 0.000) 0.579 49.428 ( -3.677 -1.933 -0.000) 4.154 50.038 ( 3.599 -4.900 0.000) 6.079 50.223 ( 0.571 1.954 -0.000) 2.036 50.579 ( 8.905 6.527 0.000) 11.041 50.663 ( -5.665 -3.556 -0.000) 6.689 52.140 ( 0.228 4.930 -0.000) 4.936 52.453 ( -3.090 -2.517 -0.000) 3.985 52.798 ( -0.236 -1.324 0.000) 1.345 ======================= Grid point 150 (94/156) ======================= q-point: ( 0.10 0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 11.735 -4.241 26.940) 29.689 1.625 ( 6.529 -23.163 25.314) 34.928 2.752 ( 29.217 -23.945 35.952) 52.149 3.847 ( -2.395 3.169 -1.969) 4.434 4.018 ( 4.734 3.277 -3.038) 6.510 4.129 ( 0.955 -8.473 -6.481) 10.710 5.006 ( -1.846 3.032 -7.020) 7.867 5.619 ( 3.602 6.417 -12.118) 14.177 5.703 ( -2.223 -7.341 -12.105) 14.331 6.234 ( -6.710 2.071 -3.916) 8.041 6.426 ( 3.504 2.976 -6.524) 7.981 6.547 ( 2.489 -6.319 -3.331) 7.565 11.703 ( 1.304 -15.915 34.368) 37.897 12.030 ( 27.755 -14.351 15.045) 34.679 14.919 ( -6.773 7.218 5.563) 11.354 15.600 ( -3.899 4.342 -2.018) 6.175 17.620 ( -3.483 -1.868 -41.508) 41.696 17.847 ( 12.462 -7.156 -50.007) 52.031 19.250 ( -37.139 37.373 68.739) 86.608 21.918 ( -7.843 -0.864 19.197) 20.755 22.644 ( 0.708 4.202 -2.495) 4.938 23.581 ( 5.591 -0.172 -13.157) 14.297 23.756 ( 23.328 -26.669 -12.223) 37.481 25.000 ( -2.445 6.436 -3.300) 7.635 25.116 ( -5.213 -1.030 4.442) 6.925 25.373 ( 5.809 -2.732 -5.381) 8.376 26.693 ( -1.067 0.869 11.036) 11.122 27.647 ( -15.255 15.571 9.122) 23.630 49.695 ( -7.815 7.812 8.048) 13.670 49.971 ( 0.510 -0.179 -4.319) 4.352 50.389 ( -3.958 -0.524 1.193) 4.167 50.518 ( -5.204 4.308 4.678) 8.218 51.016 ( 3.538 5.423 4.149) 7.690 51.834 ( 6.900 -10.384 -9.420) 15.626 52.381 ( 2.025 -2.469 3.163) 4.494 52.736 ( 0.794 -0.756 -1.772) 2.083 ======================= Grid point 151 (95/156) ======================= q-point: ( 0.10 0.50 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 16.700 -4.129 21.114) 27.235 2.678 ( 20.597 5.398 18.742) 28.366 3.721 ( 3.476 3.987 -3.880) 6.560 3.812 ( -9.356 -3.229 -5.081) 11.126 4.147 ( 5.829 4.460 -5.342) 9.078 4.556 ( 16.073 -12.000 5.462) 20.789 4.938 ( 5.162 0.175 0.271) 5.172 5.248 ( -2.421 -4.354 -4.357) 6.619 5.467 ( 1.961 11.819 -12.181) 17.085 5.925 ( -3.264 -2.868 -3.879) 5.825 6.400 ( -6.822 0.194 -5.387) 8.695 6.455 ( -1.839 -6.453 1.243) 6.825 12.705 ( 6.790 -6.969 41.573) 42.697 13.351 ( 18.374 0.076 12.629) 22.295 14.562 ( -11.299 -5.892 0.714) 12.763 15.369 ( -0.870 4.815 -10.599) 11.674 16.807 ( 2.997 0.676 -42.104) 42.216 17.714 ( 20.746 -11.947 -35.305) 42.657 19.337 ( -17.916 -0.595 59.486) 62.128 22.066 ( -3.847 9.158 16.017) 18.847 22.355 ( -9.747 -2.394 -6.450) 11.930 23.311 ( 6.191 0.999 -16.564) 17.712 24.289 ( 3.507 -11.493 -9.578) 15.366 24.687 ( -8.129 1.020 7.160) 10.880 25.107 ( 3.008 5.798 -2.502) 6.995 25.793 ( 13.601 -1.415 -1.278) 13.734 26.698 ( -7.267 0.732 7.284) 10.315 27.151 ( -12.669 5.884 1.859) 14.092 49.632 ( -0.018 2.912 -1.597) 3.321 49.844 ( -3.598 -4.481 0.745) 5.795 50.176 ( -0.436 5.130 -2.251) 5.619 50.494 ( -3.122 0.227 4.044) 5.114 51.109 ( -5.483 -6.802 6.680) 10.998 51.946 ( 5.592 6.775 -4.526) 9.882 52.519 ( 1.591 -1.957 2.062) 3.258 52.743 ( 1.213 -1.688 -2.135) 2.980 ======================= Grid point 152 (96/156) ======================= q-point: ( 0.10 -0.30 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -17.768 -4.609 2.061) 18.471 3.356 ( 8.792 -2.193 6.423) 11.107 3.742 ( -9.568 4.607 0.189) 10.621 3.782 ( 3.546 0.229 -1.665) 3.924 4.035 ( 6.084 3.579 10.360) 12.536 4.609 ( 10.526 5.778 -13.706) 18.222 4.908 ( -1.151 11.179 2.513) 11.516 5.191 ( -20.406 7.492 -6.586) 22.713 5.666 ( 8.744 -0.449 -3.500) 9.429 6.085 ( 12.935 -6.789 5.611) 15.649 6.133 ( 1.319 -8.323 1.022) 8.489 6.353 ( -1.279 -9.370 -1.091) 9.520 13.274 ( -15.468 -22.396 18.281) 32.788 13.900 ( -4.145 4.958 22.046) 22.974 14.144 ( -2.537 6.366 -5.367) 8.705 15.046 ( -0.773 -0.323 -19.848) 19.866 16.266 ( 5.787 -2.338 -38.117) 38.624 18.273 ( 20.021 -11.518 0.254) 23.100 19.651 ( -15.790 0.392 39.686) 42.714 21.657 ( -2.763 -12.201 -16.909) 21.033 22.315 ( -1.415 11.054 8.736) 14.160 23.635 ( 17.740 2.240 -5.064) 18.584 23.994 ( -6.278 -9.044 -4.210) 11.786 24.668 ( -1.618 0.532 7.988) 8.167 25.110 ( -0.616 9.668 -4.634) 10.739 26.242 ( 8.937 -2.081 -2.108) 9.415 26.467 ( -9.119 0.620 6.352) 11.131 26.720 ( -5.957 4.179 -5.676) 9.229 49.521 ( -0.779 3.115 -3.187) 4.524 49.885 ( 3.172 -5.007 0.141) 5.929 50.273 ( 5.834 7.170 -0.776) 9.276 50.359 ( -5.852 -2.274 1.931) 6.569 50.901 ( -7.519 -6.714 3.131) 10.556 52.089 ( 2.734 6.915 -0.335) 7.444 52.551 ( -0.831 -3.205 -0.719) 3.388 52.772 ( 1.263 -1.743 -0.213) 2.162 ======================= Grid point 153 (97/156) ======================= q-point: ( 0.15 -0.15 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -30.048 -0.508 -0.000) 30.052 2.234 ( -33.226 -28.498 -0.000) 43.773 3.452 ( -40.217 18.410 -0.000) 44.231 3.792 ( -4.225 2.896 -0.000) 5.123 4.028 ( 5.199 2.578 0.000) 5.803 4.486 ( -4.169 -4.258 0.000) 5.959 5.044 ( 0.583 3.612 -0.000) 3.658 5.426 ( 10.381 5.968 0.000) 11.975 6.154 ( 5.406 0.367 0.000) 5.418 6.205 ( 12.729 -2.027 0.000) 12.889 6.340 ( 4.003 -3.525 0.000) 5.334 6.484 ( 9.683 -1.086 0.000) 9.743 11.741 ( -24.957 -27.307 0.000) 36.994 13.933 ( -24.774 17.293 -0.000) 30.212 14.476 ( 7.778 4.430 0.000) 8.951 14.692 ( 6.300 -0.471 0.000) 6.318 15.902 ( -3.141 1.896 -0.000) 3.669 18.787 ( 8.327 -4.938 0.000) 9.681 19.464 ( -16.115 4.770 -0.000) 16.806 21.152 ( 5.723 -20.614 0.000) 21.394 22.604 ( 4.140 0.718 0.000) 4.202 23.884 ( -1.232 13.141 -0.000) 13.199 24.342 ( 18.486 -2.508 0.000) 18.655 24.784 ( 2.922 2.142 0.000) 3.623 25.153 ( -2.529 4.281 -0.000) 4.972 26.236 ( -12.432 1.682 -0.000) 12.545 26.393 ( 1.813 -1.755 0.000) 2.524 26.500 ( 1.474 -0.019 0.000) 1.474 49.435 ( -6.195 2.580 -0.000) 6.711 49.964 ( 3.991 -1.743 0.000) 4.355 50.279 ( 2.225 3.441 -0.000) 4.098 50.547 ( -3.519 -7.494 0.000) 8.279 50.725 ( 7.450 6.897 0.000) 10.152 52.172 ( 0.014 -2.487 0.000) 2.487 52.406 ( -2.643 -1.461 -0.000) 3.019 52.786 ( -0.138 0.207 -0.000) 0.249 ======================= Grid point 155 (98/156) ======================= q-point: ( 0.15 0.25 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 8.090 -5.344 29.527) 31.078 1.491 ( 21.071 8.786 26.624) 35.072 2.441 ( 29.980 -2.277 43.397) 52.795 3.903 ( -2.531 0.855 0.266) 2.685 3.974 ( -0.384 -4.297 -8.631) 9.649 4.085 ( 6.705 3.009 -3.962) 8.349 5.035 ( -3.299 -0.320 -7.168) 7.897 5.580 ( -2.859 -2.247 -7.286) 8.144 5.707 ( 6.699 2.134 -13.407) 15.138 6.315 ( -3.962 5.661 -6.143) 9.245 6.382 ( 0.109 -7.150 -4.216) 8.301 6.498 ( 7.286 2.121 -5.258) 9.232 11.610 ( 8.771 7.455 33.691) 35.603 11.796 ( 24.912 -7.121 24.412) 35.599 14.993 ( -8.324 -0.107 5.814) 10.154 15.646 ( -4.178 -0.132 -1.636) 4.489 17.640 ( 1.249 3.776 -48.410) 48.573 17.725 ( 9.600 -3.718 -50.878) 51.909 19.755 ( -69.851 -0.442 62.785) 93.922 21.981 ( -1.605 4.883 20.517) 21.151 22.614 ( 10.520 -3.389 -6.883) 13.020 23.373 ( 24.304 -2.366 -0.726) 24.430 23.603 ( 12.319 1.709 -15.013) 19.495 25.029 ( -9.093 -1.198 -1.732) 9.334 25.162 ( -0.430 2.389 2.576) 3.539 25.328 ( 7.647 -1.423 -6.510) 10.143 26.702 ( -1.281 0.055 11.965) 12.033 27.832 ( -20.304 -0.108 4.048) 20.704 49.815 ( -12.043 0.043 5.671) 13.312 49.950 ( -1.453 -0.220 -4.660) 4.886 50.398 ( -8.971 1.213 3.854) 9.839 50.613 ( -2.132 1.742 6.617) 7.167 51.003 ( -2.573 -4.623 2.170) 5.719 51.715 ( 20.020 1.736 -9.701) 22.315 52.357 ( 2.171 0.110 3.390) 4.027 52.728 ( 0.603 -0.008 -1.769) 1.869 ======================= Grid point 156 (99/156) ======================= q-point: ( 0.15 0.45 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 18.343 -3.029 18.416) 26.169 2.907 ( 24.015 11.429 16.166) 31.123 3.695 ( -3.422 -5.428 -5.900) 8.717 3.812 ( -2.457 3.137 -0.111) 3.986 4.235 ( 6.073 2.539 -5.330) 8.470 4.332 ( 17.663 -7.499 9.988) 21.633 4.847 ( 5.097 -6.164 0.825) 8.041 5.226 ( -2.328 0.023 -6.836) 7.221 5.656 ( 4.311 5.594 -9.702) 12.000 5.920 ( -3.129 2.389 -9.021) 9.842 6.337 ( -4.275 -4.036 2.521) 6.397 6.433 ( -8.339 2.624 -5.315) 10.231 12.641 ( 5.552 0.328 30.458) 30.962 13.332 ( 22.158 -1.064 23.504) 32.320 14.469 ( -13.793 -2.357 -3.181) 14.350 15.430 ( -2.072 0.471 -5.914) 6.284 16.931 ( 4.630 11.025 -42.442) 44.094 17.494 ( 20.273 -8.984 -37.993) 43.991 19.326 ( -21.138 -0.312 61.261) 64.806 22.218 ( -2.319 1.375 14.464) 14.713 22.237 ( -12.499 -4.774 -12.216) 18.117 23.379 ( 7.192 4.943 -12.498) 15.244 24.143 ( 1.408 -2.060 -6.347) 6.819 24.726 ( -4.970 2.667 8.090) 9.863 25.199 ( 3.320 2.740 -2.086) 4.784 25.725 ( 13.548 -4.902 -3.050) 14.726 26.712 ( -7.680 0.657 7.987) 11.100 27.214 ( -13.263 -0.022 1.708) 13.373 49.701 ( -0.399 0.470 4.045) 4.092 49.775 ( -2.944 1.158 -2.944) 4.322 50.286 ( 0.771 5.045 -0.958) 5.193 50.536 ( -5.730 3.685 3.533) 7.674 50.888 ( -5.343 -13.487 3.637) 14.956 52.044 ( 5.918 1.951 -3.808) 7.302 52.513 ( 1.671 1.373 1.858) 2.851 52.721 ( 0.967 -0.273 -2.200) 2.419 ======================= Grid point 157 (100/156) ======================= q-point: ( 0.15 -0.35 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -17.790 -2.215 3.452) 18.257 3.284 ( 3.395 -6.054 2.240) 7.294 3.604 ( -16.151 -11.884 -2.792) 20.245 3.759 ( 4.790 -1.672 -3.984) 6.451 4.174 ( 14.284 5.787 11.084) 18.984 4.764 ( 9.107 8.716 -8.377) 15.136 5.118 ( -2.484 7.944 2.365) 8.653 5.412 ( -23.644 12.628 -4.119) 27.120 5.597 ( 13.928 -6.763 0.157) 15.484 6.004 ( 11.587 -1.902 1.296) 11.813 6.032 ( 5.861 -0.671 1.046) 5.991 6.170 ( -2.636 -6.259 -1.604) 6.979 12.715 ( -19.639 -27.794 6.271) 34.605 14.046 ( -3.325 7.571 19.253) 20.953 14.282 ( 1.210 7.189 6.074) 9.488 15.131 ( -1.604 6.510 -21.177) 22.213 16.327 ( 2.423 8.390 -37.375) 38.382 18.058 ( 21.163 -8.867 1.625) 23.003 19.674 ( -15.080 1.989 44.641) 47.161 21.407 ( -5.802 -11.316 -25.799) 28.763 22.426 ( 1.094 0.006 8.699) 8.767 23.665 ( 15.890 -0.586 -8.105) 17.848 23.956 ( -3.798 5.743 1.667) 7.084 24.718 ( -3.950 4.475 8.583) 10.455 25.261 ( -0.080 3.970 -2.276) 4.577 26.179 ( 10.429 -3.457 -3.333) 11.482 26.472 ( -8.440 0.196 5.928) 10.315 26.780 ( -6.664 1.104 -5.129) 8.482 49.630 ( -1.994 7.360 -2.189) 7.933 49.807 ( 2.382 -2.455 1.408) 3.699 50.325 ( -3.930 -0.426 1.892) 4.383 50.430 ( 4.758 6.708 -0.540) 8.242 50.718 ( -4.695 -10.332 1.073) 11.399 52.155 ( 1.579 -1.074 -0.639) 2.014 52.513 ( -1.648 -0.024 -0.886) 1.872 52.754 ( 1.470 0.144 -0.185) 1.489 ======================= Grid point 170 (101/156) ======================= q-point: ( 0.15 0.25 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 21.551 -1.292 3.414) 21.858 3.105 ( 3.774 -5.246 4.890) 8.104 3.443 ( -6.856 0.054 -9.752) 11.921 3.734 ( 0.450 -1.158 -5.215) 5.361 4.028 ( -3.896 5.716 2.193) 7.257 4.264 ( -12.477 -18.775 2.947) 22.735 4.781 ( -5.059 -4.234 -0.247) 6.602 5.171 ( -1.241 -2.215 -1.945) 3.199 5.781 ( 9.783 9.650 6.197) 15.075 6.309 ( 6.912 5.916 -0.229) 9.101 6.536 ( -4.307 5.693 -1.914) 7.390 6.655 ( -0.016 2.696 -2.952) 3.998 13.220 ( 22.349 -1.513 8.931) 24.114 13.361 ( -3.383 11.069 -14.048) 18.202 14.453 ( -0.990 3.976 18.286) 18.739 15.323 ( -3.522 0.983 -12.677) 13.194 17.399 ( -3.046 7.333 22.016) 23.404 18.313 ( 4.599 -4.347 -14.373) 15.705 19.488 ( 8.743 23.910 -9.313) 27.108 21.454 ( -1.534 -17.445 1.330) 17.563 22.173 ( 0.366 6.833 3.719) 7.788 23.609 ( -6.555 -12.840 -10.284) 17.709 24.330 ( -0.576 6.321 2.787) 6.932 24.767 ( 0.032 -3.348 6.115) 6.972 25.307 ( -4.360 16.579 1.664) 17.224 25.910 ( 13.993 -1.936 -5.330) 15.099 26.445 ( -6.076 -3.688 2.423) 7.509 26.618 ( -3.739 -6.392 4.028) 8.429 49.611 ( -0.986 3.410 0.953) 3.676 50.042 ( -0.783 -7.584 -1.513) 7.773 50.316 ( 7.735 4.430 -3.637) 9.627 50.468 ( -10.000 11.009 7.413) 16.618 50.737 ( 6.098 -2.068 -1.466) 6.604 51.725 ( -3.865 -11.520 -1.300) 12.220 52.691 ( 2.438 3.298 1.537) 4.380 52.859 ( 0.318 1.673 -1.099) 2.027 ======================= Grid point 171 (102/156) ======================= q-point: ( 0.15 -0.55 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -11.516 8.647 -11.607) 18.496 3.054 ( -6.569 3.925 -3.549) 8.435 3.634 ( 5.025 -10.014 7.722) 13.608 3.676 ( -1.423 1.850 1.590) 2.824 4.019 ( 3.932 2.637 -4.428) 6.483 4.313 ( 12.282 -20.616 3.174) 24.206 4.967 ( -2.407 -12.679 1.187) 12.960 5.131 ( 7.426 -4.728 11.056) 14.133 5.822 ( -17.481 12.741 -7.940) 23.042 6.195 ( -0.048 10.261 0.689) 10.285 6.568 ( 2.484 5.793 1.737) 6.538 6.633 ( 0.325 2.867 0.097) 2.887 12.690 ( -0.453 22.185 -30.761) 37.930 13.674 ( -9.909 -3.208 19.169) 21.816 14.603 ( -6.719 0.276 -8.520) 10.854 15.367 ( 4.701 -4.122 13.462) 14.843 17.483 ( -5.604 6.364 -1.145) 8.557 18.151 ( 5.646 2.032 -10.322) 11.939 19.558 ( -11.937 20.985 17.058) 29.560 21.296 ( 6.103 -8.796 -15.566) 18.893 22.248 ( -1.826 2.082 0.198) 2.776 23.535 ( 7.870 -8.796 7.614) 14.045 24.379 ( 0.877 2.087 -3.054) 3.801 24.835 ( -1.597 -7.973 -1.244) 8.226 25.274 ( -0.513 18.781 9.864) 21.220 26.021 ( -14.887 -4.847 1.158) 15.699 26.395 ( 9.753 -2.927 -3.490) 10.764 26.610 ( 3.645 -5.794 -4.128) 7.993 49.734 ( -1.503 -2.303 5.394) 6.054 49.913 ( 1.102 -0.084 -0.089) 1.108 50.246 ( -4.969 8.363 3.767) 10.432 50.522 ( 4.081 6.675 -2.704) 8.278 50.822 ( -1.165 -6.582 -7.313) 9.908 51.669 ( 4.339 -8.985 0.452) 9.988 52.678 ( -2.495 4.224 -1.370) 5.093 52.865 ( -0.314 1.344 0.900) 1.647 ======================= Grid point 173 (103/156) ======================= q-point: ( 0.15 -0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -19.557 30.124 -0.000) 35.916 2.643 ( 5.767 24.521 -0.000) 25.190 3.718 ( 4.735 -6.445 0.000) 7.997 3.848 ( -3.529 -10.424 0.000) 11.005 4.347 ( -9.890 -3.608 -0.000) 10.528 4.750 ( 15.998 30.696 -0.000) 34.615 5.189 ( 2.770 3.280 -0.000) 4.293 5.321 ( -1.524 -6.875 0.000) 7.042 5.789 ( -6.228 -14.058 0.000) 15.376 5.980 ( -4.163 -1.153 -0.000) 4.319 6.295 ( 4.258 -9.150 0.000) 10.092 6.299 ( 8.029 -7.002 0.000) 10.654 11.745 ( -15.342 20.527 -0.000) 25.627 14.432 ( -1.957 0.369 -0.000) 1.991 14.594 ( 4.035 -4.835 0.000) 6.298 14.821 ( 20.050 16.485 0.000) 25.957 16.134 ( 13.456 6.095 0.000) 14.772 18.429 ( -3.210 -18.633 0.000) 18.908 19.964 ( 7.567 19.456 -0.000) 20.876 20.724 ( -10.834 -3.399 -0.000) 11.354 22.453 ( -6.356 -2.087 -0.000) 6.690 23.893 ( -3.798 -18.900 0.000) 19.277 24.157 ( 9.445 1.969 0.000) 9.648 24.913 ( 11.812 -0.169 0.000) 11.813 25.202 ( -5.330 3.221 -0.000) 6.228 26.302 ( 0.434 -8.316 0.000) 8.327 26.447 ( -5.304 12.644 -0.000) 13.711 26.474 ( -0.036 1.423 -0.000) 1.424 49.703 ( 9.267 7.710 0.000) 12.055 49.876 ( 0.864 -4.407 0.000) 4.491 50.315 ( 2.421 -0.267 0.000) 2.436 50.403 ( -10.844 1.552 -0.000) 10.955 50.700 ( 4.779 -6.392 0.000) 7.981 52.038 ( -9.473 -0.081 -0.000) 9.473 52.480 ( 2.744 3.173 -0.000) 4.195 52.802 ( 1.772 -0.725 0.000) 1.914 ======================= Grid point 175 (104/156) ======================= q-point: ( 0.15 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -4.194 -1.460 -2.019) 4.878 3.068 ( 7.643 -7.695 2.342) 11.096 3.268 ( -3.888 1.813 -4.628) 6.310 3.647 ( -2.630 -14.204 1.920) 14.573 4.036 ( 5.473 7.999 -0.561) 9.708 4.141 ( -0.673 5.169 -0.682) 5.257 4.657 ( 3.056 -4.320 2.286) 5.765 4.847 ( -6.817 -10.833 -0.379) 12.805 6.237 ( 5.624 10.796 5.539) 13.374 6.449 ( -3.255 3.203 -3.118) 5.530 6.577 ( -0.533 3.548 -0.124) 3.590 6.683 ( -0.640 0.030 -1.531) 1.660 13.381 ( -12.276 5.927 10.760) 17.367 13.594 ( 15.126 -0.787 -0.538) 15.156 14.615 ( 5.004 9.475 1.112) 10.773 15.131 ( -5.825 -9.630 -18.752) 21.870 17.609 ( -2.260 16.346 13.917) 21.587 18.218 ( 1.378 -11.046 -4.639) 12.060 20.095 ( -1.891 25.176 -1.769) 25.308 21.051 ( 2.640 -20.837 -2.067) 21.105 22.445 ( 2.552 13.971 0.360) 14.207 23.136 ( -4.801 -17.261 -0.342) 17.920 24.469 ( 0.755 4.831 -0.910) 4.974 24.678 ( 1.373 -5.310 2.189) 5.906 25.620 ( -2.958 19.759 2.174) 20.097 26.139 ( 6.454 -6.033 -2.456) 9.170 26.194 ( -4.955 -0.113 0.619) 4.995 26.441 ( 1.205 -8.563 0.497) 8.661 49.679 ( -0.124 4.045 1.824) 4.439 49.877 ( -1.063 -5.217 -1.001) 5.418 50.433 ( -3.996 6.715 2.500) 8.204 50.612 ( 2.855 2.439 -1.614) 4.087 50.880 ( 5.183 4.743 -2.528) 7.466 51.369 ( -2.690 -13.884 0.843) 14.167 52.796 ( 0.592 3.349 0.133) 3.404 52.873 ( -0.546 -0.177 -0.144) 0.592 ======================= Grid point 178 (105/156) ======================= q-point: ( 0.15 -0.15 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -8.259 23.646 -0.000) 25.047 3.120 ( 0.608 5.857 -0.000) 5.889 3.606 ( 2.966 -1.682 0.000) 3.410 3.645 ( 2.298 -8.266 0.000) 8.579 4.008 ( -11.595 -5.096 -0.000) 12.665 4.652 ( -15.734 -11.455 -0.000) 19.463 5.122 ( -9.973 -0.796 -0.000) 10.004 5.397 ( -6.527 -12.764 0.000) 14.336 5.828 ( 11.614 22.735 -0.000) 25.529 6.068 ( 5.508 4.679 0.000) 7.227 6.314 ( 12.672 -7.380 0.000) 14.664 6.326 ( 10.269 -9.232 0.000) 13.809 11.962 ( -1.617 17.359 -0.000) 17.434 14.389 ( -10.935 8.004 -0.000) 13.551 14.703 ( 12.754 -1.452 0.000) 12.837 15.257 ( 11.689 -5.478 0.000) 12.909 16.732 ( 24.537 11.540 0.000) 27.115 17.888 ( -2.403 -28.316 0.000) 28.418 20.534 ( -5.797 -0.230 -0.000) 5.802 20.543 ( 7.406 21.178 -0.000) 22.435 22.360 ( -1.530 2.911 -0.000) 3.289 23.405 ( -7.087 -17.873 0.000) 19.227 24.356 ( 5.441 2.651 0.000) 6.053 25.101 ( -9.366 2.902 -0.000) 9.805 25.221 ( 14.675 3.016 0.000) 14.982 26.023 ( -1.949 -17.098 0.000) 17.208 26.557 ( -0.586 5.367 -0.000) 5.399 26.564 ( -7.673 12.109 -0.000) 14.335 49.785 ( -0.127 -5.649 0.000) 5.651 50.066 ( 11.048 2.930 0.000) 11.430 50.177 ( -10.791 -0.152 -0.000) 10.792 50.432 ( 4.724 7.390 -0.000) 8.771 50.681 ( 3.571 -3.430 0.000) 4.952 51.812 ( -11.980 -0.102 -0.000) 11.981 52.622 ( 4.245 2.975 0.000) 5.184 52.818 ( 2.256 -2.018 0.000) 3.027 ======================= Grid point 180 (106/156) ======================= q-point: ( 0.15 0.25 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -3.447 -4.307 4.883) 7.367 3.059 ( 4.910 -3.896 2.492) 6.745 3.287 ( 1.565 10.386 -5.818) 12.007 3.659 ( 13.638 -0.645 0.783) 13.676 4.039 ( -5.185 -1.887 -0.458) 5.537 4.131 ( -7.772 -3.101 -0.175) 8.370 4.702 ( 8.786 2.727 -1.455) 9.313 4.846 ( 10.343 2.327 -1.085) 10.656 6.304 ( -8.225 -3.157 -0.156) 8.812 6.377 ( -5.472 -2.409 3.199) 6.781 6.586 ( -3.789 4.522 -1.010) 5.985 6.675 ( -0.577 -0.236 -0.766) 0.988 13.117 ( -20.642 2.599 25.722) 33.083 13.750 ( 6.768 -6.139 -7.078) 11.559 14.805 ( -1.633 -11.753 -5.168) 12.942 15.024 ( 8.334 13.614 -18.140) 24.162 17.768 ( -8.848 0.863 -3.018) 9.389 18.046 ( 2.141 -0.319 13.233) 13.408 20.150 ( -22.766 2.277 -7.529) 24.086 20.973 ( 16.370 -3.346 6.153) 17.805 22.473 ( -12.571 -2.171 -2.498) 13.000 23.107 ( 15.955 4.291 2.579) 16.722 24.464 ( -4.827 -0.175 -0.218) 4.835 24.703 ( 7.055 -1.311 -0.475) 7.192 25.683 ( -16.383 -1.231 -4.335) 16.992 26.086 ( 2.700 11.666 3.003) 12.345 26.212 ( 2.509 -10.045 -1.115) 10.413 26.438 ( 8.320 -0.432 0.845) 8.374 49.716 ( -2.022 1.903 -2.069) 3.463 49.856 ( 4.739 -1.155 1.206) 5.024 50.469 ( -4.238 2.807 -0.764) 5.140 50.606 ( -2.399 -3.238 -1.375) 4.258 50.836 ( -8.257 -1.398 1.913) 8.590 51.367 ( 13.352 0.993 1.087) 13.433 52.796 ( -3.336 -0.883 0.046) 3.452 52.872 ( 0.122 0.766 -0.001) 0.775 ======================= Grid point 183 (107/156) ======================= q-point: ( 0.15 -0.15 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -1.470 -6.660 0.000) 6.820 2.953 ( -2.284 15.299 -0.000) 15.469 3.490 ( -2.467 -3.536 0.000) 4.312 3.670 ( -4.556 -5.256 0.000) 6.956 4.052 ( 10.073 15.383 -0.000) 18.387 4.260 ( -5.713 -4.358 -0.000) 7.185 4.858 ( -13.649 0.038 -0.000) 13.649 4.966 ( -10.631 -10.193 -0.000) 14.728 6.223 ( 1.376 0.800 0.000) 1.592 6.313 ( 11.457 0.096 0.000) 11.457 6.321 ( 9.950 -11.340 0.000) 15.086 6.469 ( 7.317 2.083 0.000) 7.608 12.386 ( 7.030 18.383 -0.000) 19.681 14.287 ( -19.124 11.534 -0.000) 22.333 15.025 ( 18.266 0.088 0.000) 18.266 15.166 ( 6.158 -18.869 0.000) 19.848 17.181 ( -2.691 -34.854 0.000) 34.958 17.478 ( 27.447 6.950 0.000) 28.313 20.410 ( -8.697 1.572 -0.000) 8.838 21.105 ( 3.935 21.400 -0.000) 21.759 22.550 ( 9.032 7.811 0.000) 11.942 22.873 ( -10.436 -15.927 0.000) 19.042 24.500 ( 2.105 4.180 -0.000) 4.680 24.965 ( -9.254 2.380 -0.000) 9.555 25.538 ( -2.359 -24.965 0.000) 25.077 25.611 ( 14.716 4.778 0.000) 15.472 26.616 ( -6.081 6.503 -0.000) 8.903 26.632 ( -7.212 9.246 -0.000) 11.726 49.644 ( -1.451 -5.892 0.000) 6.068 49.986 ( -6.804 0.290 -0.000) 6.810 50.175 ( 4.980 -5.515 0.000) 7.431 50.695 ( 2.343 -2.070 0.000) 3.126 50.884 ( 11.378 16.375 -0.000) 19.940 51.546 ( -13.763 -0.025 -0.000) 13.763 52.753 ( 3.852 1.171 0.000) 4.026 52.800 ( 1.349 -3.486 0.000) 3.738 ======================= Grid point 187 (108/156) ======================= q-point: ( 0.15 0.65 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -1.202 -13.006 11.496) 17.400 3.232 ( -4.328 1.194 -3.605) 5.758 3.649 ( -9.800 14.777 -4.235) 18.231 3.739 ( -1.135 2.916 -5.419) 6.257 3.922 ( -2.037 -9.432 8.663) 12.968 4.619 ( -0.650 -11.715 -7.015) 13.670 5.165 ( -2.558 -11.656 5.951) 13.335 5.222 ( -0.357 -3.571 2.143) 4.180 5.783 ( 2.195 -10.117 0.576) 10.368 5.931 ( 9.782 -4.712 -0.745) 10.884 6.142 ( 5.719 14.754 -4.407) 16.426 6.219 ( 2.607 6.304 -4.039) 7.928 12.653 ( -16.886 20.043 4.958) 26.673 14.163 ( 6.059 -4.130 23.314) 24.440 14.424 ( 10.416 -2.323 4.496) 11.580 15.198 ( -0.102 -2.659 -16.097) 16.315 16.630 ( 21.810 -0.764 -30.025) 37.118 17.399 ( -5.144 -28.363 -9.341) 30.301 20.021 ( 1.576 14.656 47.858) 50.077 21.438 ( -5.999 13.259 -26.611) 30.330 22.384 ( -2.989 2.461 8.763) 9.580 23.345 ( -3.686 -11.292 -12.641) 17.346 24.195 ( 10.100 2.796 3.130) 10.937 24.952 ( 8.046 3.434 10.115) 13.373 25.241 ( -1.367 -1.800 -1.556) 2.744 25.815 ( -6.156 -15.290 -4.586) 17.109 26.662 ( 0.048 9.505 5.117) 10.795 26.928 ( -3.807 9.497 -2.144) 10.454 49.705 ( -2.419 -1.693 2.418) 3.817 49.859 ( 9.611 -0.622 -2.323) 9.907 50.404 ( -0.052 2.295 3.832) 4.467 50.540 ( 5.221 0.756 -2.534) 5.853 50.551 ( -9.576 6.322 2.241) 11.692 52.026 ( -6.838 -2.108 -2.016) 7.434 52.590 ( 3.478 1.221 0.073) 3.687 52.734 ( 1.510 -2.265 -0.852) 2.852 ======================= Grid point 188 (109/156) ======================= q-point: ( 0.15 -0.15 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 9.888 9.436 0.000) 13.668 3.192 ( -0.291 10.357 -0.000) 10.361 3.519 ( 2.935 5.882 -0.000) 6.574 3.525 ( 0.532 -3.738 0.000) 3.775 4.076 ( -5.234 -6.752 0.000) 8.543 4.459 ( -13.536 10.480 -0.000) 17.119 4.678 ( -4.241 0.854 -0.000) 4.326 4.713 ( 10.672 4.286 0.000) 11.501 6.052 ( -9.200 -8.518 -0.000) 12.537 6.324 ( 9.898 -9.361 0.000) 13.624 6.420 ( 11.606 -10.623 0.000) 15.733 6.574 ( -1.867 1.082 -0.000) 2.157 12.986 ( 10.614 21.371 -0.000) 23.861 14.060 ( -25.974 11.064 -0.000) 28.233 14.835 ( 3.451 -20.382 0.000) 20.672 15.330 ( 13.150 -6.997 0.000) 14.896 16.401 ( -1.685 -33.299 0.000) 33.342 18.095 ( 26.232 -1.235 0.000) 26.261 20.225 ( -13.260 2.477 -0.000) 13.489 21.555 ( -0.826 18.816 -0.000) 18.834 22.362 ( -9.681 -12.419 0.000) 15.747 23.001 ( 16.925 8.459 0.000) 18.921 24.631 ( -0.535 7.521 -0.000) 7.540 24.756 ( -12.930 -5.766 -0.000) 14.157 25.004 ( 3.813 -21.889 0.000) 22.219 25.983 ( 12.467 3.475 0.000) 12.942 26.574 ( -11.085 7.030 -0.000) 13.126 26.640 ( -5.672 4.414 -0.000) 7.187 49.515 ( -0.588 -3.988 0.000) 4.032 49.938 ( 0.865 1.110 -0.000) 1.407 50.127 ( 2.217 -5.330 0.000) 5.773 50.647 ( -1.832 -4.023 0.000) 4.420 51.262 ( -13.465 0.288 -0.000) 13.468 51.448 ( 9.545 15.929 -0.000) 18.570 52.730 ( -0.200 -4.363 0.000) 4.368 52.818 ( 2.685 -1.347 0.000) 3.004 ======================= Grid point 192 (110/156) ======================= q-point: ( 0.15 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 1.623 -10.772 11.465) 15.815 3.166 ( 3.246 -4.105 -0.346) 5.245 3.496 ( -5.385 -6.917 6.331) 10.813 3.704 ( -7.710 6.315 -7.001) 12.179 4.057 ( 4.549 5.977 3.103) 8.127 4.431 ( -0.748 0.163 -12.760) 12.782 4.939 ( -3.685 -3.936 3.843) 6.621 5.119 ( -3.222 -2.487 0.914) 4.171 5.648 ( 6.786 -12.032 6.207) 15.144 5.984 ( 10.222 -8.861 -6.056) 14.822 6.338 ( 0.345 3.758 -3.242) 4.975 6.513 ( 4.368 5.219 -2.425) 7.225 12.861 ( -4.688 21.642 7.542) 23.393 14.091 ( 5.922 -14.941 35.376) 38.856 14.654 ( 15.700 -1.509 -5.555) 16.722 15.066 ( -10.522 1.159 -10.665) 15.026 16.716 ( -1.372 -29.806 -22.510) 37.376 17.084 ( 27.730 -6.548 -23.736) 37.084 20.281 ( -5.146 12.112 43.205) 45.165 21.661 ( -2.178 16.072 -13.669) 21.211 22.439 ( -0.908 5.149 8.870) 10.296 23.045 ( -5.810 -7.275 -18.431) 20.649 24.460 ( 8.741 3.572 2.686) 9.817 24.923 ( 0.540 -13.502 2.317) 13.710 25.268 ( -8.278 -5.534 2.414) 10.246 25.472 ( 8.074 -0.140 -3.141) 8.664 26.808 ( -4.163 7.503 6.287) 10.637 27.003 ( -7.856 9.481 -2.385) 12.542 49.613 ( -3.087 -1.313 0.460) 3.386 49.957 ( 3.961 -3.090 -1.712) 5.308 50.247 ( -12.231 0.860 0.026) 12.261 50.553 ( 5.209 -1.807 1.440) 5.698 50.931 ( 9.486 15.080 5.602) 18.675 51.812 ( -8.707 -2.655 -4.071) 9.972 52.652 ( 2.641 -2.395 1.896) 4.038 52.731 ( 2.316 -1.512 -2.230) 3.553 ======================= Grid point 193 (111/156) ======================= q-point: ( 0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -13.096 -2.467 -0.000) 13.326 3.367 ( -8.305 10.174 -0.000) 13.134 3.698 ( 11.894 1.135 0.000) 11.948 3.700 ( 1.475 2.870 -0.000) 3.227 4.028 ( 7.773 8.814 -0.000) 11.752 4.289 ( -4.199 8.332 -0.000) 9.331 4.781 ( 3.085 6.570 -0.000) 7.258 5.042 ( -2.146 -0.825 -0.000) 2.300 5.654 ( -3.714 -4.077 0.000) 5.515 6.323 ( 8.352 -8.788 0.000) 12.123 6.336 ( -0.652 -9.329 0.000) 9.352 6.497 ( 2.543 -6.795 0.000) 7.255 13.641 ( 9.456 20.642 -0.000) 22.705 13.644 ( -30.924 3.803 -0.000) 31.157 14.566 ( 4.817 -12.424 0.000) 13.325 15.001 ( -8.526 -27.193 0.000) 28.498 15.998 ( 6.668 -11.862 0.000) 13.608 18.493 ( 21.896 -7.867 0.000) 23.266 19.980 ( -16.118 3.386 -0.000) 16.470 21.760 ( 2.215 -6.683 0.000) 7.041 22.093 ( -8.562 11.797 -0.000) 14.577 23.529 ( 20.090 4.634 0.000) 20.618 24.235 ( -7.956 -17.465 0.000) 19.192 24.802 ( -1.893 11.643 -0.000) 11.796 24.825 ( 2.566 -6.823 0.000) 7.290 26.244 ( 8.883 0.378 0.000) 8.891 26.476 ( -12.775 7.790 -0.000) 14.963 26.586 ( -3.641 -0.047 -0.000) 3.642 49.468 ( 0.915 -1.090 0.000) 1.423 49.994 ( 5.149 -5.847 0.000) 7.791 50.139 ( 3.506 4.890 -0.000) 6.017 50.454 ( -6.910 -4.640 -0.000) 8.323 51.019 ( -9.550 -1.345 -0.000) 9.644 51.887 ( 4.834 11.875 -0.000) 12.821 52.623 ( -1.491 -4.163 0.000) 4.422 52.817 ( 1.546 -2.577 0.000) 3.005 ======================= Grid point 196 (112/156) ======================= q-point: ( 0.15 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 4.316 -12.315 22.768) 26.243 2.550 ( 4.154 -24.097 18.565) 30.702 3.587 ( -4.102 -1.033 -1.485) 4.484 3.908 ( 6.221 -3.931 -0.437) 7.372 3.985 ( 13.372 -15.385 18.318) 27.405 4.162 ( -1.707 -2.927 -3.781) 5.077 4.777 ( -1.142 3.469 -7.481) 8.325 5.283 ( -2.043 6.364 -8.470) 10.790 5.599 ( -1.305 -5.640 -9.722) 11.315 5.982 ( 0.377 0.419 -14.994) 15.004 6.396 ( 1.006 2.614 3.034) 4.130 6.563 ( 1.819 -0.478 -3.225) 3.733 12.623 ( 8.577 -6.268 25.270) 27.412 12.858 ( 5.065 -22.137 39.430) 45.502 14.751 ( -1.525 14.301 -1.833) 14.498 15.445 ( -5.716 4.101 -3.934) 8.061 16.958 ( -2.921 -17.032 -46.053) 49.189 17.091 ( 17.546 -9.657 -45.635) 49.837 19.779 ( -9.401 26.677 59.338) 65.734 22.128 ( -8.699 4.265 2.555) 10.019 22.499 ( 0.194 10.178 4.076) 10.965 23.330 ( 0.841 -5.454 -18.246) 19.062 24.101 ( 11.892 -13.014 1.656) 17.706 24.795 ( -0.374 1.199 -4.594) 4.762 25.240 ( -0.499 0.275 4.789) 4.823 25.388 ( -0.660 -6.595 -2.777) 7.186 26.840 ( -1.597 4.772 10.058) 11.246 27.425 ( -7.715 13.829 0.694) 15.850 49.680 ( -4.642 3.228 3.131) 6.464 49.892 ( 3.667 0.620 -2.898) 4.715 50.407 ( 4.368 1.756 2.276) 5.229 50.540 ( -14.038 1.087 2.737) 14.344 50.926 ( 6.454 10.774 4.683) 13.403 51.895 ( -0.881 -8.588 -5.983) 10.503 52.501 ( 2.067 -3.178 2.695) 4.652 52.714 ( 1.198 -0.964 -2.474) 2.913 ======================= Grid point 197 (113/156) ======================= q-point: ( 0.15 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 14.251 5.422 15.992) 22.096 3.126 ( 7.324 -9.545 14.559) 18.887 3.517 ( 4.757 8.369 -5.301) 10.989 3.650 ( -4.408 1.275 -8.470) 9.633 4.069 ( -3.101 -3.007 -1.658) 4.627 4.620 ( 8.372 2.818 -6.124) 10.749 4.852 ( -7.389 4.842 0.562) 8.852 5.030 ( -6.555 7.354 -8.967) 13.321 5.599 ( 15.639 -14.244 12.354) 24.496 5.971 ( 5.608 -9.095 -4.399) 11.555 6.309 ( -5.514 -1.209 -5.919) 8.179 6.572 ( 0.070 -3.067 0.001) 3.068 13.305 ( 2.593 21.449 14.319) 25.920 13.867 ( 6.863 -17.445 36.367) 40.914 14.763 ( -13.452 -5.853 0.253) 14.672 14.942 ( 7.842 1.132 -15.867) 17.735 16.211 ( 3.157 -17.886 -34.978) 39.412 17.476 ( 29.062 -12.243 -17.621) 36.125 20.260 ( -14.330 5.767 40.723) 43.554 21.947 ( -3.139 12.753 -3.484) 13.588 22.366 ( -8.776 -2.466 1.879) 9.308 22.990 ( 7.710 2.261 -13.511) 15.720 24.484 ( 0.527 -20.645 -3.749) 20.989 24.727 ( 0.704 4.690 2.060) 5.170 24.998 ( -6.472 1.217 0.255) 6.591 25.782 ( 12.927 2.070 0.196) 13.093 26.786 ( -7.908 3.007 5.660) 10.179 26.992 ( -10.702 7.950 -2.228) 13.517 49.543 ( -2.448 0.477 -2.444) 3.492 49.931 ( -1.228 -2.141 0.470) 2.513 50.087 ( -2.936 0.887 -0.540) 3.115 50.577 ( 0.032 -1.826 2.357) 2.981 51.313 ( -2.202 2.688 9.744) 10.345 51.685 ( 2.428 6.388 -7.918) 10.459 52.618 ( 1.139 -3.816 1.658) 4.313 52.744 ( 2.180 -2.128 -1.877) 3.578 ======================= Grid point 198 (114/156) ======================= q-point: ( 0.15 -0.15 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -24.639 -6.476 -0.000) 25.476 3.228 ( -29.081 1.771 -0.000) 29.135 3.546 ( 2.160 -7.477 0.000) 7.783 3.844 ( 5.005 4.064 0.000) 6.447 4.369 ( -30.643 -8.516 -0.000) 31.805 4.424 ( 7.836 7.340 0.000) 10.736 4.908 ( 16.242 16.020 0.000) 22.813 4.960 ( 1.194 4.619 -0.000) 4.771 5.907 ( 14.449 3.929 0.000) 14.973 6.122 ( -3.054 -3.320 0.000) 4.511 6.333 ( 8.099 -5.096 0.000) 9.569 6.408 ( 5.145 -9.796 0.000) 11.065 12.861 ( -30.561 -19.311 -0.000) 36.151 14.159 ( 6.715 12.916 -0.000) 14.558 14.283 ( -20.124 -7.569 -0.000) 21.500 14.551 ( 7.656 -2.213 0.000) 7.970 15.940 ( 1.825 -4.110 0.000) 4.497 18.694 ( 15.242 -8.872 0.000) 17.636 19.715 ( -16.783 3.965 -0.000) 17.245 21.492 ( 4.176 -20.564 0.000) 20.984 22.368 ( -0.618 17.135 -0.000) 17.146 23.843 ( -4.956 -5.374 0.000) 7.311 23.984 ( 19.798 -0.328 0.000) 19.800 24.770 ( 2.467 -3.948 0.000) 4.655 25.016 ( -2.165 12.250 -0.000) 12.439 26.371 ( 5.601 -2.235 0.000) 6.031 26.377 ( -12.290 7.407 -0.000) 14.349 26.510 ( -1.337 -1.570 0.000) 2.063 49.477 ( -1.175 1.069 -0.000) 1.589 49.957 ( 3.991 -5.285 0.000) 6.623 50.262 ( -4.287 -0.752 -0.000) 4.353 50.407 ( 7.722 7.786 -0.000) 10.966 50.788 ( -6.538 -5.270 -0.000) 8.397 52.127 ( 1.150 5.663 -0.000) 5.778 52.507 ( -2.188 -3.252 0.000) 3.919 52.794 ( 0.700 -1.582 0.000) 1.730 ======================= Grid point 201 (115/156) ======================= q-point: ( 0.15 0.45 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 14.340 0.730 25.154) 28.964 2.305 ( 14.323 -9.038 23.310) 28.813 3.628 ( 6.075 2.700 -0.931) 6.713 3.915 ( 2.465 -5.933 -12.204) 13.792 4.020 ( 6.682 -6.488 11.616) 14.888 4.164 ( 14.098 -4.304 8.849) 17.192 4.856 ( 2.050 0.950 -6.127) 6.531 5.365 ( -5.689 -0.398 -8.311) 10.079 5.458 ( -0.309 4.609 -12.905) 13.706 5.966 ( -1.373 -0.807 -12.258) 12.361 6.434 ( 0.671 -0.819 1.396) 1.752 6.526 ( -2.169 -2.018 -2.043) 3.599 12.551 ( 7.422 -8.848 43.456) 44.965 12.930 ( 21.326 -4.944 23.655) 32.230 14.806 ( -11.738 1.438 2.225) 12.033 15.423 ( -4.476 5.582 -9.007) 11.503 16.743 ( 3.233 -2.952 -47.577) 47.778 17.273 ( 21.278 -11.465 -44.074) 50.267 19.790 ( -26.332 9.564 59.443) 65.714 22.141 ( -3.478 8.699 15.682) 18.267 22.547 ( -7.877 -0.207 -3.252) 8.524 23.233 ( 1.619 -1.776 -20.080) 20.224 24.115 ( 13.774 -11.443 -2.216) 18.044 24.811 ( -2.865 0.492 -5.402) 6.134 25.097 ( -3.203 2.132 2.303) 4.484 25.533 ( 11.215 -0.733 0.589) 11.254 26.830 ( -5.409 1.632 9.900) 11.399 27.427 ( -13.759 7.749 0.462) 15.797 49.667 ( -3.597 4.112 1.464) 5.656 49.903 ( -1.387 -3.060 -1.544) 3.697 50.256 ( -7.865 1.462 0.609) 8.023 50.541 ( -1.537 4.248 3.678) 5.825 51.176 ( -0.361 -2.531 7.301) 7.736 51.814 ( 6.968 0.815 -7.689) 10.408 52.483 ( 1.898 -1.996 2.848) 3.962 52.717 ( 1.221 -1.244 -2.477) 3.028 ======================= Grid point 202 (116/156) ======================= q-point: ( 0.15 0.65 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 11.376 -6.009 14.810) 19.617 3.321 ( 4.118 3.951 6.449) 8.611 3.624 ( 3.501 9.204 7.179) 12.187 3.721 ( 2.433 -0.426 -4.542) 5.170 4.092 ( 1.353 5.338 -6.432) 8.467 4.512 ( -3.339 -8.028 -9.822) 13.117 4.939 ( -1.936 11.831 1.997) 12.154 5.264 ( 7.233 9.588 -9.996) 15.626 5.686 ( 8.509 -6.884 4.207) 11.726 5.829 ( -0.458 -4.987 4.571) 6.780 6.126 ( -2.809 -6.144 -6.382) 9.293 6.419 ( -3.884 -7.331 0.231) 8.299 13.500 ( -6.141 -14.054 35.270) 38.460 13.851 ( 5.920 8.758 16.004) 19.180 14.297 ( -10.562 -6.204 -5.136) 13.282 15.054 ( 0.921 2.132 -19.550) 19.687 16.144 ( 5.805 -0.273 -36.885) 37.340 17.786 ( 26.870 -12.957 -9.465) 31.296 19.988 ( -17.060 1.015 44.326) 47.506 21.789 ( -9.925 -9.003 -18.400) 22.763 22.351 ( -1.869 7.883 9.614) 12.572 23.303 ( 14.252 3.608 -7.289) 16.410 24.099 ( -3.734 -10.477 -6.529) 12.897 24.740 ( -5.018 2.802 9.517) 11.118 25.094 ( 2.276 7.870 -4.822) 9.506 26.029 ( 11.504 -2.569 -1.376) 11.867 26.642 ( -8.620 0.396 4.983) 9.965 26.900 ( -10.648 4.948 -2.596) 12.025 49.545 ( -1.577 3.867 -3.386) 5.377 49.846 ( 0.250 -3.825 1.481) 4.109 50.176 ( 3.391 6.076 -1.071) 7.040 50.477 ( -5.154 -2.089 2.698) 6.181 51.063 ( -8.062 -8.752 3.499) 12.403 52.006 ( 5.497 8.230 -1.611) 10.027 52.560 ( -0.048 -2.690 0.407) 2.721 52.740 ( 1.789 -1.879 -1.110) 2.822 ======================= Grid point 203 (117/156) ======================= q-point: ( 0.20 -0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -25.920 -0.591 -0.000) 25.927 2.875 ( -28.710 -26.470 -0.000) 39.050 3.605 ( 4.358 6.364 -0.000) 7.713 3.888 ( 8.456 -0.008 0.000) 8.456 4.432 ( -35.021 12.297 -0.000) 37.117 4.480 ( 4.824 -2.235 0.000) 5.316 5.076 ( -3.087 6.522 -0.000) 7.215 5.196 ( 9.594 11.448 -0.000) 14.937 5.918 ( 15.145 -3.637 0.000) 15.576 6.085 ( 0.827 -2.297 0.000) 2.441 6.230 ( 6.607 -4.502 0.000) 7.995 6.262 ( 11.650 -1.171 0.000) 11.708 12.262 ( -25.468 -32.184 0.000) 41.042 14.366 ( 2.772 7.011 -0.000) 7.539 14.426 ( -21.756 16.521 -0.000) 27.318 14.550 ( 7.471 1.354 0.000) 7.593 15.943 ( -0.694 4.692 -0.000) 4.744 18.529 ( 17.127 -6.634 0.000) 18.367 19.821 ( -18.603 6.159 -0.000) 19.596 21.055 ( 3.224 -20.281 0.000) 20.536 22.537 ( 2.290 0.028 0.000) 2.290 23.921 ( -2.299 11.097 -0.000) 11.332 23.955 ( 18.917 -2.263 0.000) 19.052 24.760 ( -0.699 3.143 -0.000) 3.220 25.206 ( -2.365 5.120 -0.000) 5.640 26.317 ( 6.139 -2.142 0.000) 6.502 26.481 ( -11.453 2.035 -0.000) 11.632 26.485 ( -0.875 -0.903 0.000) 1.257 49.546 ( -4.269 5.636 -0.000) 7.070 49.883 ( 3.640 -1.852 0.000) 4.084 50.270 ( -1.657 1.415 -0.000) 2.179 50.568 ( 7.629 7.579 0.000) 10.754 50.629 ( -4.499 -9.944 0.000) 10.914 52.169 ( 0.402 -2.269 0.000) 2.304 52.457 ( -2.395 -0.911 -0.000) 2.563 52.779 ( 0.821 0.256 0.000) 0.860 ======================= Grid point 205 (118/156) ======================= q-point: ( 0.20 0.20 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 0.000 31.705) 31.705 1.251 ( 0.000 0.000 31.705) 31.705 2.087 ( 0.000 0.000 52.954) 52.954 3.969 ( 0.000 0.000 4.503) 4.503 3.974 ( -0.000 -0.000 -8.665) 8.665 3.974 ( -0.000 -0.000 -8.665) 8.665 5.074 ( -0.000 -0.000 -7.750) 7.750 5.607 ( -0.000 -0.000 -6.921) 6.921 5.607 ( -0.000 -0.000 -6.921) 6.921 6.362 ( 0.000 0.000 1.622) 1.622 6.362 ( 0.000 0.000 1.622) 1.622 6.413 ( -0.000 -0.000 -17.584) 17.584 11.516 ( 0.000 0.000 35.151) 35.151 11.516 ( 0.000 0.000 35.151) 35.151 15.081 ( 0.000 0.000 6.850) 6.850 15.692 ( -0.000 -0.000 -1.530) 1.530 17.621 ( -0.000 -0.000 -52.868) 52.868 17.621 ( -0.000 -0.000 -52.868) 52.868 21.022 ( 0.000 0.000 15.346) 15.346 21.997 ( 0.000 0.000 20.168) 20.168 21.997 ( 0.000 0.000 20.168) 20.168 23.067 ( 0.000 0.000 12.793) 12.793 23.546 ( -0.000 -0.000 -16.421) 16.421 25.168 ( 0.000 0.000 4.159) 4.159 25.168 ( 0.000 0.000 4.159) 4.159 25.208 ( -0.000 -0.000 -15.403) 15.403 26.714 ( 0.000 0.000 12.913) 12.913 28.086 ( -0.000 -0.000 -6.850) 6.850 49.965 ( -0.000 -0.000 -4.752) 4.752 49.965 ( -0.000 -0.000 -4.752) 4.752 50.635 ( 0.000 0.000 7.026) 7.026 50.635 ( 0.000 0.000 7.026) 7.026 51.022 ( 0.000 0.000 1.363) 1.363 51.355 ( -0.000 -0.000 -3.246) 3.246 52.334 ( 0.000 0.000 3.637) 3.637 52.721 ( -0.000 -0.000 -1.747) 1.747 ======================= Grid point 206 (119/156) ======================= q-point: ( 0.20 0.40 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 13.062 -4.872 25.202) 28.801 2.411 ( 23.275 9.545 21.317) 32.974 3.650 ( 13.608 -0.418 9.056) 16.351 3.802 ( 5.831 -2.271 -3.133) 6.998 3.908 ( 5.918 -1.850 9.156) 11.058 4.165 ( 5.963 1.285 -2.015) 6.424 4.829 ( -1.619 -2.973 -6.458) 7.291 5.314 ( -5.325 -1.836 -9.520) 11.062 5.576 ( 3.925 3.716 -10.599) 11.898 5.969 ( -1.833 0.835 -16.612) 16.734 6.399 ( -1.974 -1.432 3.656) 4.395 6.526 ( -0.584 1.380 -2.812) 3.186 12.487 ( 8.495 2.712 37.512) 38.557 12.844 ( 23.705 -2.686 32.552) 40.358 14.792 ( -16.612 -2.062 -1.008) 16.770 15.501 ( -4.489 0.885 -5.171) 6.905 16.807 ( 7.179 8.918 -47.489) 48.850 17.069 ( 20.074 -7.757 -47.523) 52.169 19.892 ( -34.480 -0.502 58.950) 68.295 22.267 ( -2.404 -0.473 12.337) 12.578 22.479 ( -9.774 -1.776 -5.759) 11.483 23.268 ( 3.923 4.150 -14.727) 15.796 23.976 ( 15.531 -0.866 -0.708) 15.571 24.806 ( -2.844 -0.608 -3.880) 4.849 25.171 ( -1.101 4.374 0.559) 4.545 25.477 ( 10.186 -4.561 0.027) 11.160 26.851 ( -5.657 0.356 10.767) 12.168 27.511 ( -15.105 -0.102 -0.565) 15.116 49.749 ( -4.174 1.340 3.372) 5.531 49.835 ( -2.628 -1.235 -2.742) 3.994 50.314 ( -4.348 4.013 1.609) 6.132 50.647 ( -4.863 4.590 4.588) 8.110 50.988 ( -4.194 -12.375 3.477) 13.521 51.871 ( 11.399 3.036 -6.312) 13.379 52.469 ( 2.360 0.664 2.896) 3.795 52.702 ( 0.856 -0.081 -2.525) 2.667 ======================= Grid point 207 (120/156) ======================= q-point: ( 0.20 0.60 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 12.810 -2.981 15.063) 19.997 3.311 ( -2.724 -3.084 -1.379) 4.340 3.697 ( -0.964 -0.894 -7.103) 7.224 3.828 ( 11.157 6.304 11.925) 17.505 4.016 ( -12.071 -11.696 -2.121) 16.941 4.507 ( 12.694 7.544 -11.178) 18.520 5.138 ( 0.628 6.452 3.926) 7.578 5.292 ( 14.032 -5.488 -0.197) 15.069 5.698 ( 10.927 5.986 -3.032) 12.823 5.792 ( -1.229 2.440 1.146) 2.963 6.064 ( -11.908 0.463 -6.195) 13.431 6.271 ( -5.949 -6.169 0.419) 8.580 13.079 ( -14.850 -22.913 20.039) 33.869 14.036 ( 3.096 6.841 18.637) 20.093 14.264 ( 0.651 4.061 4.137) 5.834 15.145 ( 0.194 4.791 -21.000) 21.541 16.272 ( 3.186 12.351 -34.334) 36.627 17.549 ( 27.942 -9.626 -9.387) 31.009 20.001 ( -17.064 0.512 49.211) 52.088 21.593 ( -11.975 -9.027 -26.186) 30.176 22.429 ( -1.408 -0.180 10.419) 10.515 23.366 ( 12.674 1.654 -9.813) 16.114 24.032 ( -3.209 3.705 -1.150) 5.035 24.817 ( -5.196 5.006 9.652) 12.051 25.220 ( 4.134 3.807 -3.754) 6.758 25.941 ( 12.298 -5.639 -2.466) 13.752 26.652 ( -9.542 0.637 5.158) 10.865 26.961 ( -10.280 0.741 -2.461) 10.597 49.665 ( -1.687 7.590 -2.355) 8.124 49.773 ( 0.737 -3.065 2.036) 3.753 50.315 ( 3.341 6.656 -0.205) 7.450 50.463 ( -6.293 1.087 1.849) 6.648 50.828 ( -5.760 -13.566 1.995) 14.873 52.099 ( 4.050 0.331 -1.431) 4.308 52.539 ( -0.831 0.957 0.037) 1.267 52.718 ( 1.963 -0.114 -0.994) 2.203 ======================= Grid point 225 (121/156) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 14.459 0.846 6.317) 15.802 3.040 ( -4.133 -1.469 0.555) 4.421 3.415 ( -9.800 -2.505 -9.097) 13.604 3.774 ( 1.774 -3.334 -2.893) 4.757 3.936 ( -8.033 -3.902 5.404) 10.438 4.124 ( 3.502 1.705 2.666) 4.720 4.721 ( -9.263 -1.256 -1.128) 9.416 5.009 ( -7.508 -10.453 -6.440) 14.391 6.065 ( 10.548 14.947 7.449) 19.753 6.381 ( 7.351 1.073 0.133) 7.430 6.634 ( -2.003 3.550 -1.680) 4.409 6.662 ( 2.514 -1.924 -2.503) 4.035 13.175 ( 23.476 -2.644 22.703) 32.765 13.580 ( -6.489 9.739 -10.663) 15.832 14.582 ( -0.998 9.008 5.865) 10.795 15.259 ( -6.157 -7.838 -19.580) 21.970 17.596 ( 3.705 11.299 9.275) 15.080 18.184 ( 1.474 -8.120 -0.316) 8.259 19.944 ( 15.078 18.993 -9.115) 25.907 21.118 ( -7.644 -14.275 6.942) 17.619 22.337 ( 6.043 8.716 1.702) 10.742 23.321 ( -11.198 -14.034 -5.787) 18.864 24.429 ( 2.619 3.342 0.716) 4.305 24.709 ( -4.083 -1.812 3.040) 5.403 25.591 ( 9.178 8.663 -3.417) 13.075 25.966 ( 2.395 8.611 -1.543) 9.070 26.329 ( -3.910 -8.264 1.884) 9.334 26.490 ( -5.478 -5.170 2.607) 7.971 49.691 ( -1.410 3.714 -1.171) 4.142 49.904 ( -1.000 -5.417 -0.744) 5.558 50.408 ( 6.215 4.941 -4.073) 8.923 50.647 ( -2.772 -1.642 2.731) 4.224 50.717 ( 5.493 7.192 4.544) 10.126 51.496 ( -7.906 -10.004 -1.038) 12.793 52.755 ( 3.092 2.781 1.085) 4.298 52.880 ( 0.118 0.247 -0.863) 0.905 ======================= Grid point 228 (122/156) ======================= q-point: ( 0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -18.220 22.925 -0.000) 29.283 3.078 ( 2.309 16.183 -0.000) 16.347 3.590 ( 2.246 -4.405 0.000) 4.945 3.620 ( -3.143 -9.886 0.000) 10.373 4.220 ( -8.140 -8.655 0.000) 11.882 4.846 ( 0.136 -12.761 0.000) 12.762 5.235 ( -0.162 1.277 -0.000) 1.288 5.490 ( -4.356 -14.088 0.000) 14.746 5.613 ( 9.797 25.942 -0.000) 27.731 6.027 ( -2.448 5.477 -0.000) 5.999 6.076 ( 8.638 -12.045 0.000) 14.822 6.129 ( 7.945 -9.435 0.000) 12.334 12.197 ( -21.064 23.585 -0.000) 31.621 14.466 ( 7.468 -2.708 0.000) 7.944 14.519 ( 1.052 2.935 -0.000) 3.118 15.005 ( 12.386 0.950 0.000) 12.423 16.255 ( 20.542 5.365 0.000) 21.231 17.955 ( -4.424 -27.445 0.000) 27.799 20.380 ( 8.036 20.930 -0.000) 22.420 20.718 ( -12.389 2.983 -0.000) 12.743 22.437 ( -5.041 0.579 -0.000) 5.074 23.521 ( -4.198 -16.976 0.000) 17.487 24.191 ( 10.494 1.537 0.000) 10.606 24.960 ( 10.091 4.448 0.000) 11.028 25.246 ( -3.839 0.615 -0.000) 3.888 26.071 ( -2.898 -13.660 0.000) 13.964 26.553 ( 0.508 6.142 -0.000) 6.162 26.686 ( -3.790 10.795 -0.000) 11.441 49.792 ( -0.713 -3.626 0.000) 3.695 49.814 ( 11.707 2.794 0.000) 12.036 50.360 ( 1.278 4.864 -0.000) 5.029 50.457 ( -13.511 3.785 -0.000) 14.031 50.573 ( 6.677 -5.700 0.000) 8.780 52.033 ( -8.923 -0.594 -0.000) 8.943 52.543 ( 3.293 2.788 0.000) 4.314 52.774 ( 1.807 -1.921 0.000) 2.637 ======================= Grid point 230 (123/156) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 0.857 -2.075 1.073) 2.488 2.953 ( -0.857 2.075 1.073) 2.488 3.388 ( -2.944 -8.408 -1.426) 9.022 3.388 ( 2.944 8.408 -1.426) 9.022 4.175 ( -2.402 -3.008 0.050) 3.850 4.175 ( 2.402 3.008 0.050) 3.850 4.661 ( -4.313 -5.438 -0.395) 6.952 4.661 ( 4.313 5.438 -0.395) 6.952 6.414 ( -1.447 -5.837 2.758) 6.616 6.414 ( 1.447 5.837 2.758) 6.616 6.651 ( 1.564 -2.877 -2.228) 3.961 6.651 ( -1.564 2.877 -2.228) 3.961 13.511 ( -12.595 3.353 13.141) 18.509 13.511 ( 12.595 -3.353 13.141) 18.509 14.875 ( -5.487 -14.145 -16.398) 22.340 14.875 ( 5.487 14.145 -16.398) 22.340 17.942 ( -0.801 -14.916 4.314) 15.548 17.942 ( 0.801 14.916 4.314) 15.548 20.596 ( -5.877 -21.287 -0.372) 22.087 20.596 ( 5.877 21.287 -0.372) 22.087 22.773 ( -8.973 -16.108 -0.270) 18.440 22.773 ( 8.973 16.108 -0.270) 18.440 24.572 ( -2.334 -4.388 0.352) 4.982 24.572 ( 2.334 4.388 0.352) 4.982 25.956 ( -3.743 -11.429 -0.713) 12.047 25.956 ( 3.743 11.429 -0.713) 12.047 26.268 ( -3.406 -6.180 0.509) 7.075 26.268 ( 3.406 6.180 0.509) 7.075 49.772 ( -0.806 -4.657 -0.009) 4.726 49.772 ( 0.806 4.657 -0.009) 4.726 50.559 ( 0.707 -4.976 -0.341) 5.038 50.559 ( -0.707 4.976 -0.341) 5.038 51.088 ( -8.180 -11.914 0.373) 14.457 51.088 ( 8.180 11.914 0.373) 14.457 52.851 ( -1.275 -1.830 -0.011) 2.231 52.851 ( 1.275 1.830 -0.011) 2.231 ======================= Grid point 234 (124/156) ======================= q-point: ( 0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -5.238 -10.410 0.000) 11.654 3.052 ( -6.745 12.609 -0.000) 14.300 3.537 ( -2.907 0.361 -0.000) 2.929 3.686 ( 3.859 0.475 0.000) 3.888 3.951 ( -1.547 3.993 -0.000) 4.282 4.425 ( -9.134 -10.657 0.000) 14.036 5.117 ( -10.326 0.293 -0.000) 10.330 5.140 ( -5.789 -11.206 0.000) 12.614 6.048 ( 13.340 -8.191 0.000) 15.654 6.098 ( 9.486 -10.309 0.000) 14.009 6.191 ( 2.857 4.524 -0.000) 5.350 6.291 ( 9.839 11.485 -0.000) 15.123 12.391 ( -7.986 24.414 -0.000) 25.687 14.583 ( -7.645 9.192 -0.000) 11.956 14.661 ( 14.897 -1.471 0.000) 14.970 15.016 ( 7.813 -16.983 0.000) 18.694 16.886 ( 29.064 2.916 0.000) 29.210 17.235 ( -2.857 -34.810 0.000) 34.927 20.609 ( -10.462 7.135 -0.000) 12.663 20.983 ( 7.428 21.617 -0.000) 22.858 22.445 ( 1.239 5.291 -0.000) 5.435 23.072 ( -8.535 -14.401 0.000) 16.740 24.413 ( 6.686 3.179 0.000) 7.403 25.124 ( -5.950 -1.472 -0.000) 6.130 25.317 ( 13.405 5.873 0.000) 14.635 25.626 ( -5.989 -20.609 0.000) 21.461 26.703 ( -2.420 8.770 -0.000) 9.097 26.780 ( -6.815 9.058 -0.000) 11.335 49.681 ( -2.156 -4.282 0.000) 4.794 50.015 ( 7.160 -4.337 0.000) 8.371 50.217 ( -11.753 2.043 -0.000) 11.929 50.613 ( 5.493 -2.972 0.000) 6.246 50.675 ( 8.413 14.577 -0.000) 16.831 51.808 ( -11.499 -0.694 -0.000) 11.520 52.671 ( 4.046 1.635 0.000) 4.364 52.764 ( 2.022 -3.170 0.000) 3.760 ======================= Grid point 239 (125/156) ======================= q-point: ( 0.20 0.80 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 6.038 0.855 0.000) 6.098 3.187 ( 0.980 7.687 -0.000) 7.749 3.514 ( -2.925 4.096 -0.000) 5.033 3.539 ( -0.977 -6.986 0.000) 7.054 4.154 ( -3.344 -5.613 0.000) 6.533 4.357 ( 11.994 13.351 -0.000) 17.947 4.823 ( -8.404 -2.860 -0.000) 8.877 4.877 ( -14.805 1.653 -0.000) 14.897 6.066 ( 10.351 -13.224 0.000) 16.793 6.134 ( 15.733 -12.390 0.000) 20.026 6.235 ( -4.180 0.410 -0.000) 4.200 6.570 ( 2.349 3.093 -0.000) 3.885 12.859 ( 1.107 27.216 -0.000) 27.238 14.519 ( -18.279 10.280 -0.000) 20.972 14.734 ( 6.068 -21.978 0.000) 22.800 14.986 ( 18.994 -3.995 0.000) 19.409 16.443 ( -1.983 -35.959 0.000) 36.014 17.493 ( 31.268 -4.868 0.000) 31.645 20.517 ( -14.488 8.046 -0.000) 16.572 21.531 ( 3.289 19.569 -0.000) 19.844 22.582 ( -11.523 -12.373 0.000) 16.908 22.710 ( 10.751 7.666 0.000) 13.204 24.609 ( 3.182 6.382 -0.000) 7.131 24.951 ( 0.884 -15.860 0.000) 15.885 25.030 ( -12.899 -11.343 -0.000) 17.177 25.712 ( 13.617 4.621 0.000) 14.380 26.774 ( -8.207 8.520 -0.000) 11.830 26.779 ( -7.626 5.281 -0.000) 9.276 49.548 ( -2.577 -3.205 0.000) 4.112 49.968 ( -2.247 -1.580 -0.000) 2.747 50.097 ( -0.919 -2.117 0.000) 2.308 50.644 ( 2.064 -2.543 0.000) 3.275 51.229 ( 11.545 16.758 -0.000) 20.350 51.534 ( -12.698 -1.632 -0.000) 12.802 52.721 ( 1.033 -4.145 0.000) 4.272 52.756 ( 3.271 -0.831 0.000) 3.374 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.20 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -1.137 -13.601 16.958) 21.768 3.141 ( -0.754 -9.753 -0.230) 9.784 3.578 ( -1.979 -9.725 0.826) 9.959 3.844 ( -2.682 3.121 -1.532) 4.391 4.033 ( -4.605 9.416 -0.990) 10.528 4.411 ( 4.096 -7.117 -9.443) 12.514 4.936 ( 0.562 -10.090 12.769) 16.284 5.144 ( -0.297 -3.187 0.708) 3.278 5.592 ( 1.756 -7.912 -5.024) 9.536 5.796 ( 7.090 -6.990 -9.460) 13.734 6.336 ( -0.591 6.670 0.661) 6.728 6.421 ( 4.178 8.550 -3.269) 10.062 13.029 ( -10.868 15.216 21.115) 28.204 13.984 ( 4.347 -14.406 34.133) 37.302 14.383 ( 9.184 1.524 -9.470) 13.279 15.205 ( -2.322 3.586 -15.986) 16.547 16.557 ( 22.356 -6.377 -28.090) 36.462 16.779 ( -4.824 -31.079 -21.673) 38.196 20.359 ( -2.625 18.370 49.211) 52.593 21.730 ( -4.954 14.604 -21.684) 26.609 22.471 ( -1.832 5.944 9.081) 11.007 23.149 ( -3.261 -7.925 -14.518) 16.859 24.244 ( 11.131 1.208 2.033) 11.380 24.906 ( 1.349 -9.645 4.755) 10.837 25.237 ( 5.854 2.853 -0.739) 6.554 25.536 ( -8.696 -10.933 -2.024) 14.115 26.862 ( -1.115 9.454 7.441) 12.083 27.137 ( -4.876 10.893 -3.328) 12.390 49.689 ( -4.281 0.181 1.673) 4.600 49.845 ( 6.543 -0.310 -1.817) 6.798 50.420 ( 6.210 0.277 1.644) 6.430 50.544 ( -13.044 1.670 0.292) 13.154 50.769 ( 4.284 11.625 3.374) 12.840 51.953 ( -4.554 -5.249 -2.835) 7.505 52.592 ( 3.019 -1.152 1.515) 3.568 52.691 ( 1.373 -1.705 -2.136) 3.058 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.20 -0.20 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 18.689 13.829 0.000) 23.249 3.348 ( -2.496 4.076 -0.000) 4.779 3.436 ( 0.289 -1.576 0.000) 1.602 3.638 ( 5.088 4.344 0.000) 6.690 3.959 ( -1.791 -3.182 0.000) 3.652 4.563 ( -15.428 -1.978 -0.000) 15.554 4.773 ( -2.551 8.248 -0.000) 8.634 4.878 ( 11.849 11.996 -0.000) 16.861 5.867 ( -9.288 -8.906 -0.000) 12.868 6.146 ( 5.943 -7.712 0.000) 9.736 6.174 ( 12.948 -12.597 0.000) 18.065 6.540 ( -3.156 -4.145 0.000) 5.210 13.494 ( 4.475 27.057 -0.000) 27.424 14.219 ( -25.191 1.828 -0.000) 25.258 14.453 ( 6.184 -15.883 0.000) 17.045 15.057 ( 4.324 -18.660 0.000) 19.154 15.864 ( 5.239 -16.440 0.000) 17.255 17.957 ( 29.647 -10.814 0.000) 31.557 20.337 ( -18.196 7.365 -0.000) 19.631 21.778 ( -3.378 -2.501 -0.000) 4.203 22.241 ( -6.424 5.023 -0.000) 8.155 23.144 ( 16.826 5.550 0.000) 17.717 24.374 ( -4.960 -22.305 0.000) 22.849 24.818 ( 0.812 10.133 -0.000) 10.165 24.846 ( -4.798 -0.728 -0.000) 4.853 26.033 ( 11.449 1.040 0.000) 11.496 26.692 ( -6.742 1.024 -0.000) 6.819 26.728 ( -11.663 7.468 -0.000) 13.849 49.470 ( -1.238 -0.188 -0.000) 1.252 49.926 ( 1.009 -2.471 0.000) 2.669 50.084 ( 2.013 1.520 0.000) 2.522 50.565 ( -3.627 -3.684 0.000) 5.170 51.232 ( -11.035 -3.696 -0.000) 11.638 51.756 ( 8.027 13.621 -0.000) 15.810 52.640 ( -0.277 -4.256 0.000) 4.265 52.776 ( 2.364 -2.495 0.000) 3.437 ======================= Grid point 249 (128/156) ======================= q-point: ( 0.20 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 7.879 -1.530 18.010) 19.717 2.976 ( 6.813 -12.435 14.801) 20.497 3.457 ( 0.782 2.456 -4.879) 5.518 3.731 ( -3.056 -3.596 -12.177) 13.060 4.125 ( -2.414 1.071 3.030) 4.019 4.457 ( 7.165 0.545 -7.644) 10.491 4.890 ( 5.213 -2.141 10.736) 12.125 5.117 ( -1.729 4.046 -2.843) 5.238 5.419 ( 0.355 -10.052 -0.060) 10.058 5.807 ( 8.539 -8.033 -12.611) 17.218 6.412 ( -3.337 3.236 -0.751) 4.709 6.552 ( 1.515 -0.849 -0.763) 1.897 13.265 ( 1.687 16.035 25.909) 30.516 13.724 ( 6.504 -18.504 36.796) 41.697 14.660 ( 9.669 3.104 -13.484) 16.880 15.130 ( -13.425 2.860 -7.585) 15.683 16.156 ( 2.064 -22.610 -36.091) 42.638 16.888 ( 27.365 -11.960 -23.006) 37.699 20.540 ( -12.784 12.597 44.030) 47.547 21.988 ( -1.160 15.542 -6.683) 16.958 22.533 ( -6.463 2.292 4.801) 8.371 22.927 ( -1.461 -3.606 -17.359) 17.790 24.413 ( 7.451 -12.863 4.348) 15.488 24.671 ( 2.444 -3.387 -7.156) 8.286 25.174 ( -9.401 -2.835 2.559) 10.147 25.530 ( 11.238 2.932 0.874) 11.647 26.936 ( -6.346 4.990 8.152) 11.473 27.203 ( -9.532 9.564 -3.961) 14.072 49.612 ( -4.262 1.342 -0.279) 4.477 49.915 ( 2.370 -1.225 -1.066) 2.873 50.258 ( -12.978 0.483 0.648) 13.003 50.543 ( 3.082 1.002 2.137) 3.882 51.221 ( 9.418 12.097 7.196) 16.936 51.725 ( -4.463 -5.622 -6.419) 9.629 52.589 ( 1.635 -3.186 2.364) 4.291 52.700 ( 2.111 -1.660 -2.551) 3.704 ======================= Grid point 250 (129/156) ======================= q-point: ( 0.20 -0.20 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -18.386 -3.926 -0.000) 18.801 3.439 ( 4.876 -1.677 0.000) 5.157 3.730 ( 5.762 -0.154 0.000) 5.764 3.750 ( -16.365 -1.569 -0.000) 16.440 4.215 ( 11.803 7.881 0.000) 14.192 4.413 ( 12.562 6.760 0.000) 14.266 4.950 ( -0.555 9.570 -0.000) 9.586 5.107 ( -20.225 9.252 -0.000) 22.241 5.630 ( 8.764 0.001 0.000) 8.764 6.141 ( 4.958 -8.352 0.000) 9.713 6.146 ( 9.813 -8.155 0.000) 12.759 6.337 ( -1.326 -8.731 0.000) 8.831 13.445 ( -26.525 -25.309 -0.000) 36.662 14.064 ( 2.607 19.185 -0.000) 19.361 14.384 ( 8.389 -4.813 0.000) 9.672 14.647 ( -13.839 -3.100 -0.000) 14.182 15.859 ( 5.807 -1.855 0.000) 6.096 18.283 ( 24.580 -11.029 0.000) 26.941 20.087 ( -19.288 6.254 -0.000) 20.277 21.443 ( -0.329 -19.331 0.000) 19.333 22.402 ( -2.235 12.152 -0.000) 12.356 23.584 ( 18.781 1.061 0.000) 18.811 23.949 ( -4.953 -7.397 0.000) 8.902 24.767 ( -2.262 0.038 -0.000) 2.262 25.050 ( -0.640 11.498 -0.000) 11.516 26.221 ( 8.848 -2.669 0.000) 9.242 26.568 ( -4.473 -1.249 -0.000) 4.644 26.624 ( -11.789 6.137 -0.000) 13.291 49.490 ( -0.509 3.373 -0.000) 3.412 49.886 ( 2.601 -4.244 0.000) 4.977 50.266 ( 5.963 7.061 -0.000) 9.242 50.379 ( -6.456 -2.615 -0.000) 6.966 50.932 ( -7.514 -7.156 -0.000) 10.376 52.085 ( 3.169 6.954 -0.000) 7.642 52.543 ( -1.344 -3.362 0.000) 3.621 52.769 ( 1.649 -1.768 0.000) 2.418 ======================= Grid point 253 (130/156) ======================= q-point: ( 0.20 0.40 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 8.693 -0.264 27.986) 29.306 2.110 ( 5.974 -17.502 25.494) 31.496 3.414 ( 13.729 -13.345 29.281) 34.985 3.769 ( 3.797 -0.870 -3.515) 5.246 3.883 ( 4.740 -3.919 -10.223) 11.931 4.101 ( -0.010 -2.014 3.378) 3.932 4.851 ( -1.203 2.939 -8.714) 9.275 5.413 ( 0.678 5.269 -9.643) 11.010 5.485 ( -1.858 -4.922 -10.517) 11.759 5.990 ( -0.896 0.425 -19.816) 19.840 6.423 ( 0.024 0.225 3.814) 3.821 6.517 ( 2.363 -2.836 -0.052) 3.692 12.429 ( 4.094 -10.871 41.458) 43.054 12.537 ( 15.228 -8.510 35.685) 39.721 15.011 ( -7.513 9.282 2.878) 12.283 15.536 ( -5.524 4.477 -5.160) 8.785 16.687 ( 1.493 -8.102 -52.588) 53.229 16.881 ( 15.932 -10.034 -49.591) 53.045 20.375 ( -27.781 28.273 50.637) 64.306 22.218 ( -4.466 4.983 11.753) 13.524 22.631 ( 0.830 0.459 0.897) 1.305 23.226 ( -0.196 -4.033 -21.003) 21.388 23.761 ( 17.646 -16.243 7.441) 25.111 24.839 ( -1.013 2.204 -12.851) 13.078 25.205 ( -5.657 -1.759 4.633) 7.521 25.343 ( 7.205 -0.290 1.373) 7.340 26.913 ( -2.632 2.411 12.142) 12.656 27.685 ( -10.205 10.286 -3.346) 14.871 49.767 ( -5.484 4.692 0.806) 7.262 49.901 ( 1.209 -0.148 -2.991) 3.229 50.461 ( -7.916 3.018 5.441) 10.068 50.592 ( -6.719 4.892 3.024) 8.844 51.107 ( 6.674 5.182 5.271) 9.959 51.672 ( 6.558 -11.582 -7.832) 15.444 52.445 ( 1.579 -1.949 3.523) 4.325 52.696 ( 0.788 -0.761 -2.538) 2.764 ======================= Grid point 254 (131/156) ======================= q-point: ( 0.20 0.60 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( 12.845 -4.767 18.653) 23.144 3.040 ( 16.420 6.261 18.525) 25.534 3.612 ( 2.788 -1.767 -7.347) 8.054 3.697 ( 1.785 6.294 -7.880) 10.242 4.042 ( -1.064 1.132 -5.130) 5.360 4.558 ( 2.959 -7.522 -2.193) 8.376 4.983 ( -1.014 6.678 2.079) 7.068 5.172 ( 0.827 0.353 -7.197) 7.253 5.378 ( 12.919 -1.929 6.564) 14.619 5.803 ( 5.655 -6.611 -8.846) 12.407 6.307 ( -10.672 0.908 -3.907) 11.401 6.481 ( -1.994 -5.143 1.330) 5.674 13.514 ( 4.235 -11.457 41.912) 43.655 13.709 ( 8.050 11.621 23.945) 27.807 14.543 ( -12.377 -12.990 -3.709) 18.321 15.027 ( -0.130 6.010 -24.712) 25.433 16.027 ( 5.918 0.105 -37.462) 37.927 17.200 ( 29.424 -13.867 -17.742) 37.052 20.357 ( -18.985 3.277 46.520) 50.351 22.040 ( -13.576 -4.804 -17.433) 22.612 22.390 ( -2.019 5.447 8.478) 10.278 23.064 ( 8.767 4.735 -8.732) 13.249 24.147 ( -0.899 -10.555 -5.300) 11.845 24.812 ( 1.058 3.128 5.622) 6.520 25.052 ( -0.768 3.775 -3.057) 4.918 25.784 ( 11.902 -2.078 0.001) 12.082 26.832 ( -9.588 1.744 6.591) 11.765 27.132 ( -11.719 5.177 -3.069) 13.174 49.590 ( -2.934 4.074 -2.057) 5.426 49.870 ( -1.841 -3.786 1.351) 4.421 50.151 ( -1.745 5.124 -0.624) 5.449 50.561 ( -2.921 0.404 2.705) 4.001 51.221 ( -6.907 -10.162 4.751) 13.174 51.861 ( 8.608 8.607 -3.946) 12.796 52.554 ( 0.619 -2.094 1.606) 2.711 52.701 ( 1.855 -1.806 -2.038) 3.295 ======================= Grid point 255 (132/156) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -19.269 -0.838 -0.000) 19.287 3.307 ( -6.099 -13.971 0.000) 15.244 3.603 ( -11.531 -5.657 -0.000) 12.844 3.693 ( 9.802 -3.191 0.000) 10.309 4.307 ( 11.382 0.275 0.000) 11.385 4.658 ( 11.847 14.394 -0.000) 18.643 5.142 ( -2.979 8.090 -0.000) 8.621 5.368 ( -23.685 13.918 -0.000) 27.471 5.596 ( 14.748 -4.088 0.000) 15.304 6.019 ( 11.456 -2.917 0.000) 11.821 6.042 ( 8.505 -0.369 0.000) 8.513 6.153 ( -3.865 -8.556 0.000) 9.389 12.782 ( -25.292 -33.829 0.000) 42.238 14.337 ( 3.522 5.151 -0.000) 6.240 14.413 ( 2.453 8.760 -0.000) 9.097 14.763 ( -9.711 10.563 -0.000) 14.348 15.936 ( 1.010 9.778 -0.000) 9.830 18.082 ( 26.251 -8.122 0.000) 27.479 20.224 ( -20.486 7.070 -0.000) 21.671 21.041 ( -2.312 -18.550 0.000) 18.694 22.514 ( -0.078 -0.759 0.000) 0.763 23.579 ( 17.338 -1.479 0.000) 17.401 23.973 ( -2.643 8.414 -0.000) 8.820 24.813 ( -4.348 4.499 -0.000) 6.256 25.232 ( 0.429 5.324 -0.000) 5.341 26.145 ( 10.197 -4.137 0.000) 11.005 26.549 ( -5.502 -0.349 -0.000) 5.513 26.708 ( -10.792 1.699 -0.000) 10.925 49.608 ( -1.994 8.057 -0.000) 8.300 49.821 ( 2.328 -2.189 0.000) 3.196 50.348 ( -5.634 -0.424 -0.000) 5.650 50.421 ( 6.459 7.813 -0.000) 10.137 50.731 ( -5.374 -12.144 0.000) 13.280 52.148 ( 1.874 -1.437 0.000) 2.361 52.503 ( -2.027 0.017 -0.000) 2.028 52.752 ( 1.794 0.184 0.000) 1.804 ======================= Grid point 258 (133/156) ======================= q-point: ( 0.25 0.35 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 4.553 -4.534 29.233) 29.931 1.998 ( 15.591 5.490 26.453) 31.193 3.247 ( 17.821 -0.251 40.263) 44.031 3.769 ( 0.009 -1.376 -12.287) 12.364 3.822 ( 4.303 0.358 -8.790) 9.794 4.091 ( 1.703 0.586 4.362) 4.719 4.877 ( -2.491 -0.490 -8.964) 9.317 5.409 ( -3.310 -1.342 -9.624) 10.266 5.491 ( 3.986 1.534 -9.979) 10.855 5.998 ( -0.995 0.150 -22.562) 22.585 6.425 ( -0.699 0.200 4.522) 4.580 6.481 ( 3.722 -0.103 1.696) 4.092 12.329 ( 6.064 2.260 41.585) 42.086 12.428 ( 15.324 -2.240 39.867) 42.770 15.097 ( -11.667 -0.549 4.372) 12.471 15.598 ( -4.486 0.360 -3.951) 5.989 16.656 ( 6.712 5.172 -52.782) 53.458 16.717 ( 12.998 -4.985 -53.808) 55.580 20.721 ( -43.876 -0.193 42.551) 61.121 22.309 ( -1.494 -0.393 13.387) 13.476 22.555 ( 5.532 -0.025 -0.271) 5.538 23.208 ( 2.124 1.665 -18.894) 19.086 23.566 ( 19.905 -0.897 11.317) 22.915 24.858 ( -2.341 -0.403 -14.703) 14.894 25.219 ( -2.611 3.088 3.688) 5.473 25.313 ( 5.795 -2.887 2.621) 6.984 26.939 ( -2.869 0.062 13.005) 13.317 27.798 ( -11.623 -0.025 -5.965) 13.065 49.844 ( -4.068 1.182 -0.941) 4.340 49.875 ( -1.259 -1.293 -3.074) 3.565 50.501 ( -14.090 0.786 5.793) 15.255 50.727 ( -2.792 3.642 5.283) 6.997 51.052 ( -1.859 -6.825 2.937) 7.659 51.565 ( 17.923 2.407 -6.586) 19.245 52.426 ( 1.590 0.097 3.833) 4.151 52.687 ( 0.561 -0.005 -2.530) 2.592 ======================= Grid point 259 (134/156) ======================= q-point: ( 0.25 0.55 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 13.009 -4.528 20.214) 24.461 3.153 ( 15.742 1.600 7.173) 17.373 3.587 ( 6.674 0.104 -3.921) 7.741 3.809 ( -1.832 4.275 0.105) 4.652 4.108 ( 3.141 2.700 -7.713) 8.754 4.382 ( 0.015 -6.374 -2.245) 6.758 5.009 ( 11.990 -6.399 13.052) 18.843 5.119 ( 1.314 2.448 -3.498) 4.467 5.500 ( 6.342 7.233 -6.467) 11.591 5.725 ( 5.473 -0.432 -11.155) 12.433 6.342 ( -11.122 2.150 -2.922) 11.699 6.387 ( -5.031 -3.208 1.568) 6.170 13.269 ( -2.877 -11.790 34.939) 36.987 13.891 ( 12.503 5.705 33.989) 36.662 14.334 ( -10.135 -4.987 -12.518) 16.861 15.161 ( -2.585 5.785 -23.388) 24.231 16.180 ( 6.053 13.708 -32.691) 35.962 16.940 ( 30.496 -10.719 -19.220) 37.607 20.388 ( -21.016 -0.114 50.210) 54.431 21.874 ( -14.577 -8.760 -24.473) 29.802 22.480 ( -3.362 1.857 10.873) 11.531 23.154 ( 8.050 2.829 -10.380) 13.437 24.075 ( -0.602 3.434 -1.578) 3.827 24.866 ( 3.546 2.371 6.518) 7.790 25.136 ( 1.027 4.275 -4.063) 5.987 25.696 ( 11.048 -6.347 -0.480) 12.751 26.861 ( -10.323 0.963 7.417) 12.748 27.189 ( -11.750 0.100 -3.610) 12.293 49.704 ( -2.191 6.706 -1.740) 7.266 49.782 ( -1.479 -4.577 1.872) 5.161 50.279 ( -0.419 6.907 0.056) 6.920 50.597 ( -6.408 2.940 2.604) 7.516 50.946 ( -5.556 -15.342 2.345) 16.484 51.980 ( 7.727 2.327 -2.655) 8.495 52.543 ( 0.450 1.190 1.400) 1.892 52.679 ( 1.724 -0.261 -2.050) 2.691 ======================= Grid point 285 (135/156) ======================= q-point: ( 0.25 -0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -6.683 -9.119 0.000) 11.305 3.177 ( -4.240 -0.285 -0.000) 4.250 3.597 ( 3.016 5.996 -0.000) 6.712 3.671 ( -11.103 12.635 -0.000) 16.820 4.027 ( -3.634 -7.874 0.000) 8.672 4.536 ( 1.382 -15.835 0.000) 15.895 5.214 ( -2.729 -11.958 0.000) 12.266 5.246 ( -1.920 -0.201 -0.000) 1.930 5.809 ( 9.318 -13.491 0.000) 16.396 5.916 ( 7.699 -11.093 0.000) 13.503 6.093 ( 8.393 19.057 -0.000) 20.823 6.177 ( -2.208 8.364 -0.000) 8.650 12.716 ( -23.183 26.917 -0.000) 35.524 14.348 ( 12.082 -6.813 0.000) 13.870 14.672 ( 2.463 9.461 -0.000) 9.776 14.872 ( 5.686 -13.054 0.000) 14.239 16.326 ( 24.543 0.945 0.000) 24.561 17.314 ( -5.288 -34.409 0.000) 34.813 20.819 ( 8.189 21.725 -0.000) 23.217 20.847 ( -13.183 9.355 -0.000) 16.165 22.479 ( -3.662 3.591 -0.000) 5.129 23.209 ( -4.603 -13.165 0.000) 13.946 24.226 ( 10.879 1.922 0.000) 11.047 25.080 ( 9.425 6.792 0.000) 11.618 25.199 ( -1.111 -6.188 0.000) 6.287 25.769 ( -7.565 -14.665 0.000) 16.501 26.724 ( 0.113 10.295 -0.000) 10.296 26.893 ( -3.814 9.438 -0.000) 10.180 49.731 ( -2.712 -2.188 -0.000) 3.485 49.833 ( 9.731 -0.248 0.000) 9.734 50.472 ( -7.217 4.624 -0.000) 8.572 50.476 ( 7.628 -3.561 0.000) 8.418 50.584 ( -4.435 9.115 -0.000) 10.137 52.005 ( -7.294 -2.374 -0.000) 7.670 52.590 ( 3.619 1.740 0.000) 4.015 52.725 ( 1.550 -2.769 0.000) 3.173 ======================= Grid point 290 (136/156) ======================= q-point: (-0.75 -0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -1.172 -6.606 0.000) 6.709 3.147 ( 2.686 0.121 0.000) 2.689 3.554 ( -0.486 -9.287 0.000) 9.300 3.643 ( -9.336 4.543 -0.000) 10.382 4.152 ( 7.562 11.323 -0.000) 13.616 4.235 ( -4.135 -6.671 0.000) 7.849 4.970 ( -5.132 -4.461 -0.000) 6.800 5.124 ( -8.467 0.076 -0.000) 8.467 5.800 ( 15.888 -13.548 0.000) 20.880 5.848 ( 9.681 -12.982 0.000) 16.195 6.305 ( -2.286 5.463 -0.000) 5.922 6.490 ( 4.984 6.132 -0.000) 7.902 12.957 ( -10.808 30.300 -0.000) 32.170 14.552 ( 18.584 -5.789 0.000) 19.465 14.605 ( 5.944 -21.814 0.000) 22.610 14.834 ( -8.033 11.405 -0.000) 13.950 16.484 ( -2.517 -37.467 0.000) 37.552 16.853 ( 30.160 -5.686 0.000) 30.692 20.804 ( -13.539 11.301 -0.000) 17.635 21.424 ( 6.795 21.101 -0.000) 22.168 22.574 ( 2.545 7.222 -0.000) 7.658 22.815 ( -10.452 -10.882 0.000) 15.088 24.487 ( 8.744 3.890 0.000) 9.571 24.945 ( -0.351 -18.521 0.000) 18.524 25.292 ( -12.144 -8.499 -0.000) 14.823 25.442 ( 12.281 5.802 0.000) 13.583 26.906 ( -4.570 10.594 -0.000) 11.538 26.940 ( -7.684 6.679 -0.000) 10.181 49.616 ( -3.942 -1.887 -0.000) 4.370 49.940 ( 4.204 -2.650 0.000) 4.969 50.247 ( -12.526 1.028 -0.000) 12.568 50.567 ( 5.266 -1.347 0.000) 5.435 50.990 ( 11.134 15.666 -0.000) 19.220 51.769 ( -9.832 -3.455 -0.000) 10.421 52.685 ( 3.600 -0.250 0.000) 3.609 52.693 ( 1.508 -3.607 0.000) 3.910 ======================= Grid point 296 (137/156) ======================= q-point: ( 0.25 0.75 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 14.042 8.138 0.000) 16.230 3.305 ( 6.280 3.636 0.000) 7.257 3.417 ( 1.475 -3.330 0.000) 3.642 3.558 ( 1.022 -0.478 0.000) 1.128 4.048 ( -5.699 -4.308 -0.000) 7.144 4.557 ( 11.513 4.905 0.000) 12.514 4.870 ( -5.968 7.101 -0.000) 9.276 4.926 ( -12.145 3.486 -0.000) 12.635 5.791 ( 10.966 -13.233 0.000) 17.186 5.866 ( 16.479 -12.938 0.000) 20.951 6.245 ( -9.660 0.725 -0.000) 9.688 6.573 ( 0.055 -2.380 0.000) 2.381 13.471 ( -2.592 31.331 -0.000) 31.438 14.314 ( 7.116 -17.670 0.000) 19.049 14.665 ( -14.249 2.585 -0.000) 14.482 14.844 ( 11.012 -11.304 0.000) 15.781 15.790 ( 2.619 -23.816 0.000) 23.959 17.312 ( 32.153 -11.867 0.000) 34.273 20.707 ( -17.488 9.881 -0.000) 20.086 21.850 ( -2.162 8.180 -0.000) 8.461 22.390 ( -8.906 -4.066 -0.000) 9.790 22.861 ( 10.214 6.897 0.000) 12.324 24.445 ( -2.531 -22.988 0.000) 23.127 24.750 ( 6.149 6.910 -0.000) 9.250 25.001 ( -9.341 -0.132 -0.000) 9.342 25.785 ( 12.417 2.071 0.000) 12.589 26.860 ( -9.376 2.943 -0.000) 9.828 26.949 ( -9.688 8.029 -0.000) 12.583 49.519 ( -3.469 0.471 -0.000) 3.501 49.936 ( -0.390 -1.726 0.000) 1.770 50.082 ( -3.574 0.904 -0.000) 3.686 50.600 ( 0.158 -1.544 0.000) 1.552 51.459 ( -10.606 -6.166 -0.000) 12.268 51.557 ( 11.244 14.808 -0.000) 18.594 52.637 ( 0.526 -3.839 0.000) 3.875 52.723 ( 2.765 -2.192 0.000) 3.529 ======================= Grid point 301 (138/156) ======================= q-point: ( 0.25 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 1.108 -7.134 21.783) 22.948 2.863 ( 4.117 -15.627 13.264) 20.907 3.467 ( -1.246 -1.745 -8.240) 8.514 3.766 ( 0.204 -8.684 -10.137) 13.350 4.162 ( -0.544 3.570 3.018) 4.707 4.309 ( 6.517 -5.596 5.419) 10.157 4.769 ( 2.361 -5.177 11.779) 13.081 5.149 ( -0.923 3.891 -5.005) 6.407 5.450 ( -0.727 -6.308 -6.586) 9.149 5.659 ( 5.258 -6.121 -18.133) 19.848 6.448 ( -0.742 4.039 2.202) 4.660 6.521 ( 1.438 1.778 -1.284) 2.622 13.228 ( 1.627 3.961 37.092) 37.338 13.615 ( 4.060 -19.167 38.812) 43.476 14.555 ( -0.398 14.665 -21.055) 25.662 15.317 ( -3.274 6.393 -11.212) 13.315 16.161 ( -3.812 -27.510 -33.586) 43.582 16.382 ( 21.437 -10.774 -26.642) 35.852 20.772 ( -9.070 21.468 45.590) 51.201 22.024 ( -3.368 13.905 -14.002) 20.019 22.610 ( -0.923 6.634 6.704) 9.476 23.000 ( -3.694 -7.184 -14.890) 16.941 24.194 ( 11.725 -7.667 6.902) 15.617 24.661 ( -0.879 -9.980 -8.526) 13.156 25.315 ( 4.468 2.707 2.837) 5.945 25.373 ( -4.500 -4.641 0.444) 6.479 27.033 ( -2.889 6.976 10.226) 12.711 27.368 ( -6.054 11.061 -6.022) 13.974 49.712 ( -5.255 1.977 0.694) 5.657 49.850 ( 3.884 0.613 -1.545) 4.224 50.455 ( 4.561 3.676 2.326) 6.303 50.580 ( -16.300 1.587 1.499) 16.446 51.008 ( 9.482 11.289 3.604) 15.177 51.797 ( -1.630 -10.270 -4.064) 11.164 52.552 ( 1.844 -2.288 2.794) 4.055 52.663 ( 1.314 -1.174 -2.920) 3.410 ======================= Grid point 302 (139/156) ======================= q-point: ( 0.25 -0.25 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 8.211 -4.315 0.000) 9.276 3.359 ( -3.232 -2.372 -0.000) 4.009 3.647 ( 1.410 -2.888 0.000) 3.213 3.762 ( 12.052 19.936 -0.000) 23.296 3.984 ( 8.491 4.303 0.000) 9.519 4.414 ( -10.007 -10.761 0.000) 14.695 4.989 ( -3.124 11.621 -0.000) 12.034 5.133 ( 9.935 11.166 -0.000) 14.946 5.711 ( -2.448 -5.824 0.000) 6.317 5.936 ( 13.096 -9.637 0.000) 16.260 6.018 ( -4.256 -4.313 0.000) 6.059 6.422 ( -4.670 -6.914 0.000) 8.344 13.961 ( -23.975 -27.335 0.000) 36.360 14.042 ( -0.031 24.551 -0.000) 24.551 14.217 ( 7.369 -6.050 0.000) 9.534 14.792 ( 0.690 -3.866 0.000) 3.927 15.726 ( 6.391 1.832 0.000) 6.648 17.704 ( 31.201 -12.750 0.000) 33.705 20.497 ( -20.264 7.821 -0.000) 21.721 21.527 ( -7.998 -17.285 0.000) 19.046 22.447 ( -2.018 9.491 -0.000) 9.703 23.231 ( 15.065 2.927 0.000) 15.346 24.035 ( -3.435 -8.957 0.000) 9.593 24.859 ( -6.462 1.929 -0.000) 6.744 25.021 ( 3.916 9.003 -0.000) 9.818 26.015 ( 10.905 -2.891 0.000) 11.282 26.701 ( -8.562 0.260 -0.000) 8.566 26.862 ( -11.310 5.161 -0.000) 12.432 49.512 ( -1.831 4.283 -0.000) 4.658 49.861 ( -0.220 -3.419 0.000) 3.426 50.167 ( 3.471 5.968 -0.000) 6.904 50.504 ( -5.292 -2.130 -0.000) 5.705 51.097 ( -8.435 -9.549 0.000) 12.741 51.989 ( 6.350 8.593 -0.000) 10.685 52.564 ( -0.673 -2.902 0.000) 2.979 52.728 ( 2.292 -1.864 0.000) 2.954 ======================= Grid point 306 (140/156) ======================= q-point: ( 0.25 0.55 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 12.266 1.743 20.226) 23.719 2.748 ( 11.444 -6.615 22.805) 26.359 3.531 ( 4.162 2.739 -7.716) 9.185 3.631 ( 3.017 -3.172 -16.821) 17.381 4.124 ( -4.750 -0.427 2.959) 5.613 4.402 ( 10.925 -5.467 6.923) 14.041 4.855 ( 9.946 -1.347 9.601) 13.890 5.236 ( -5.334 -4.580 -7.086) 9.982 5.270 ( 0.350 6.267 -4.472) 7.707 5.668 ( 6.615 -5.197 -18.327) 20.165 6.464 ( -3.868 1.674 0.608) 4.258 6.510 ( -1.354 -2.455 0.633) 2.874 13.384 ( 7.167 -10.668 41.701) 43.636 13.497 ( 12.195 4.007 35.886) 38.113 14.753 ( -7.860 2.438 -12.080) 14.617 15.143 ( -11.437 0.469 -18.602) 21.842 15.889 ( 7.643 -2.059 -39.824) 40.603 16.615 ( 26.690 -14.135 -22.854) 37.874 20.770 ( -21.184 8.970 43.785) 49.461 22.272 ( -6.195 9.078 -8.770) 14.061 22.467 ( -7.358 -5.826 0.213) 9.388 22.940 ( 3.756 4.147 -9.001) 10.598 24.122 ( 4.173 -10.958 2.014) 11.898 24.680 ( 8.621 1.024 -7.018) 11.163 25.149 ( -6.650 0.481 2.506) 7.123 25.556 ( 10.037 -0.677 1.275) 10.140 27.017 ( -7.986 2.956 9.664) 12.881 27.370 ( -11.025 6.078 -5.713) 13.825 49.667 ( -4.494 3.856 -0.679) 5.961 49.886 ( 0.533 -2.182 -0.480) 2.297 50.283 ( -11.133 2.298 1.563) 11.475 50.599 ( -1.002 4.536 2.347) 5.204 51.315 ( -0.997 -6.547 7.221) 9.799 51.668 ( 9.190 3.255 -7.552) 12.332 52.536 ( 1.104 -1.750 2.736) 3.430 52.666 ( 1.494 -1.372 -2.757) 3.423 ======================= Grid point 307 (141/156) ======================= q-point: ( 0.30 -0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 7.079 -2.577 0.000) 7.533 3.275 ( 2.546 -5.482 0.000) 6.044 3.586 ( -2.899 -1.817 -0.000) 3.422 3.934 ( -11.798 -9.553 -0.000) 15.180 4.054 ( 11.342 1.372 0.000) 11.425 4.356 ( 12.434 11.033 0.000) 16.623 5.194 ( -1.961 6.970 -0.000) 7.241 5.264 ( 13.584 0.266 0.000) 13.587 5.671 ( 7.567 3.156 0.000) 8.199 5.825 ( 11.816 -0.213 0.000) 11.818 5.986 ( -16.227 1.606 -0.000) 16.306 6.276 ( -6.779 -6.684 -0.000) 9.520 13.304 ( -25.567 -32.640 0.000) 41.462 14.180 ( 9.007 3.749 0.000) 9.756 14.482 ( -6.196 15.765 -0.000) 16.939 14.792 ( 6.730 2.147 0.000) 7.064 15.909 ( 1.776 15.351 -0.000) 15.453 17.467 ( 32.941 -9.718 0.000) 34.345 20.655 ( -21.309 7.743 -0.000) 22.672 21.160 ( -9.378 -17.218 0.000) 19.607 22.539 ( -2.250 -0.498 -0.000) 2.304 23.259 ( 13.421 -0.364 0.000) 13.426 24.024 ( -2.227 6.731 -0.000) 7.090 24.931 ( -6.886 5.215 -0.000) 8.638 25.164 ( 6.721 4.520 0.000) 8.100 25.917 ( 11.491 -6.395 0.000) 13.151 26.711 ( -10.142 0.745 -0.000) 10.169 26.925 ( -10.355 0.827 -0.000) 10.388 49.643 ( -1.700 8.208 -0.000) 8.382 49.792 ( 0.408 -3.180 0.000) 3.206 50.313 ( 3.787 7.912 -0.000) 8.771 50.482 ( -7.022 0.088 -0.000) 7.022 50.848 ( -5.959 -14.198 0.000) 15.398 52.084 ( 4.512 0.209 0.000) 4.517 52.539 ( -1.396 0.832 -0.000) 1.625 52.708 ( 2.439 -0.014 0.000) 2.439 ======================= Grid point 310 (142/156) ======================= q-point: ( 0.30 0.30 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.000 0.000 29.188) 29.188 1.827 ( 0.000 0.000 29.188) 29.188 3.047 ( 0.000 0.000 48.488) 48.488 3.771 ( -0.000 -0.000 -12.980) 12.980 3.771 ( -0.000 -0.000 -12.980) 12.980 4.075 ( 0.000 0.000 6.603) 6.603 4.908 ( -0.000 -0.000 -9.546) 9.546 5.442 ( -0.000 -0.000 -9.271) 9.271 5.442 ( -0.000 -0.000 -9.271) 9.271 6.009 ( -0.000 -0.000 -25.053) 25.053 6.432 ( 0.000 0.000 4.838) 4.838 6.432 ( 0.000 0.000 4.838) 4.838 12.264 ( 0.000 0.000 43.009) 43.009 12.264 ( 0.000 0.000 43.009) 43.009 15.223 ( 0.000 0.000 7.936) 7.936 15.653 ( -0.000 -0.000 -2.617) 2.617 16.577 ( -0.000 -0.000 -56.340) 56.340 16.577 ( -0.000 -0.000 -56.340) 56.340 21.366 ( 0.000 0.000 20.723) 20.723 22.325 ( 0.000 0.000 14.102) 14.102 22.325 ( 0.000 0.000 14.102) 14.102 23.182 ( -0.000 -0.000 -21.774) 21.774 23.356 ( 0.000 0.000 17.573) 17.573 24.887 ( -0.000 -0.000 -18.446) 18.446 25.250 ( 0.000 0.000 4.151) 4.151 25.250 ( 0.000 0.000 4.151) 4.151 26.969 ( 0.000 0.000 13.880) 13.880 27.929 ( -0.000 -0.000 -9.661) 9.661 49.888 ( -0.000 -0.000 -3.329) 3.329 49.888 ( -0.000 -0.000 -3.329) 3.329 50.757 ( 0.000 0.000 5.599) 5.599 50.757 ( 0.000 0.000 5.599) 5.599 51.054 ( 0.000 0.000 2.032) 2.032 51.289 ( -0.000 -0.000 -3.706) 3.706 52.409 ( 0.000 0.000 4.185) 4.185 52.681 ( -0.000 -0.000 -2.496) 2.496 ======================= Grid point 311 (143/156) ======================= q-point: ( 0.30 0.50 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 502 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 9.245 -5.009 23.976) 26.180 2.784 ( 18.187 4.317 16.624) 25.015 3.502 ( 2.236 -2.366 -11.734) 12.177 3.696 ( 9.293 5.838 -10.357) 15.090 4.132 ( -3.557 1.574 3.297) 5.099 4.290 ( 9.582 -3.982 12.850) 16.517 4.802 ( 6.894 -3.669 7.619) 10.910 5.161 ( -4.675 -1.171 -6.017) 7.709 5.410 ( 3.545 4.790 -7.252) 9.386 5.608 ( 5.504 -0.362 -20.699) 21.422 6.464 ( -2.851 -1.118 2.764) 4.126 6.495 ( -3.686 0.995 -0.683) 3.878 13.234 ( 4.576 -3.216 40.366) 40.751 13.555 ( 18.194 2.101 40.386) 44.344 14.661 ( -19.563 -8.150 -15.014) 25.972 15.254 ( -6.069 7.621 -24.106) 26.001 16.021 ( 9.352 12.980 -31.395) 35.237 16.336 ( 27.383 -12.130 -25.828) 39.549 20.871 ( -25.987 0.132 45.181) 52.121 22.163 ( -13.095 -10.171 -19.240) 25.399 22.555 ( -3.417 6.513 8.449) 11.202 23.020 ( 5.734 2.161 -10.057) 11.777 24.030 ( 5.976 2.429 4.771) 8.024 24.682 ( 10.404 -0.757 -7.632) 12.925 25.198 ( -4.764 4.279 1.767) 6.643 25.498 ( 8.162 -4.853 1.376) 9.595 27.055 ( -8.195 0.573 10.640) 13.442 27.434 ( -11.675 -0.086 -6.757) 13.490 49.758 ( -3.003 4.633 -1.083) 5.626 49.817 ( -1.490 -4.373 0.175) 4.623 50.355 ( -7.509 4.583 2.106) 9.045 50.718 ( -5.227 5.505 2.734) 8.069 51.047 ( -4.074 -14.968 2.512) 15.714 51.772 ( 12.709 4.078 -3.937) 13.916 52.524 ( 1.290 0.595 2.889) 3.219 52.650 ( 1.090 -0.112 -2.896) 3.097 ======================= Grid point 343 (144/156) ======================= q-point: (-0.70 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -6.976 -10.774 0.000) 12.835 3.094 ( 2.103 -5.341 0.000) 5.740 3.562 ( -0.345 -9.253 0.000) 9.259 3.855 ( -9.071 -1.226 -0.000) 9.153 4.043 ( 3.481 8.193 -0.000) 8.902 4.283 ( 0.006 -5.036 0.000) 5.036 5.032 ( -1.783 -4.926 0.000) 5.239 5.221 ( -1.529 -2.548 0.000) 2.972 5.529 ( 9.514 -13.418 0.000) 16.448 5.683 ( 6.635 -11.369 0.000) 13.164 6.344 ( -2.105 7.468 -0.000) 7.759 6.387 ( 4.526 9.726 -0.000) 10.728 13.297 ( -21.845 29.366 -0.000) 36.600 14.197 ( 14.512 -7.832 0.000) 16.491 14.517 ( 2.065 -20.228 0.000) 20.333 14.881 ( 4.727 10.573 -0.000) 11.581 16.284 ( 24.819 -4.982 0.000) 25.314 16.573 ( -6.683 -36.873 0.000) 37.474 21.088 ( -14.601 13.593 -0.000) 19.949 21.266 ( 8.335 21.653 -0.000) 23.202 22.580 ( -1.997 6.018 -0.000) 6.341 22.985 ( -5.687 -8.807 0.000) 10.483 24.266 ( 11.890 1.735 0.000) 12.016 24.955 ( -0.330 -17.394 0.000) 17.398 25.223 ( 8.848 6.720 0.000) 11.111 25.521 ( -9.970 -9.002 -0.000) 13.432 26.961 ( -0.919 12.356 -0.000) 12.391 27.075 ( -4.995 8.264 -0.000) 9.656 49.706 ( -4.607 -0.304 -0.000) 4.617 49.827 ( 6.531 -0.014 0.000) 6.531 50.436 ( 7.283 -0.139 0.000) 7.285 50.548 ( -14.482 2.974 -0.000) 14.784 50.804 ( 5.180 11.634 -0.000) 12.735 51.925 ( -4.952 -5.747 0.000) 7.586 52.611 ( 3.442 0.285 0.000) 3.454 52.665 ( 1.053 -2.974 0.000) 3.155 ======================= Grid point 349 (145/156) ======================= q-point: ( 0.30 0.70 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 5.978 1.128 0.000) 6.084 3.140 ( 8.615 -0.934 0.000) 8.666 3.385 ( 1.417 -5.932 0.000) 6.099 3.591 ( -3.283 -8.140 0.000) 8.777 4.173 ( -6.108 -0.819 -0.000) 6.162 4.349 ( 8.196 7.229 0.000) 10.929 4.978 ( -3.757 4.803 -0.000) 6.098 5.114 ( -5.185 -0.904 -0.000) 5.264 5.529 ( 15.333 -12.076 0.000) 19.517 5.577 ( 8.511 -13.211 0.000) 15.715 6.403 ( -5.347 3.991 -0.000) 6.672 6.547 ( 1.990 0.094 0.000) 1.992 13.608 ( -10.733 32.222 -0.000) 33.962 14.174 ( 6.022 -18.747 0.000) 19.691 14.406 ( 20.069 -8.305 0.000) 21.719 15.048 ( -11.490 8.006 -0.000) 14.004 15.748 ( 0.537 -32.016 0.000) 32.020 16.674 ( 29.189 -11.185 0.000) 31.259 21.049 ( -16.042 12.150 -0.000) 20.124 21.832 ( 3.907 17.711 -0.000) 18.137 22.610 ( -11.712 -9.255 -0.000) 14.927 22.731 ( 2.758 7.696 -0.000) 8.176 24.495 ( -2.518 -21.591 0.000) 21.737 24.562 ( 11.933 3.042 0.000) 12.314 25.200 ( -9.562 -2.472 -0.000) 9.876 25.539 ( 11.085 3.373 0.000) 11.586 27.060 ( -9.599 5.114 -0.000) 10.876 27.117 ( -6.455 9.382 -0.000) 11.388 49.608 ( -5.037 1.104 -0.000) 5.157 49.906 ( 2.791 -0.986 0.000) 2.960 50.265 ( -13.427 0.944 -0.000) 13.460 50.564 ( 3.167 1.197 0.000) 3.385 51.303 ( 13.088 14.465 -0.000) 19.507 51.650 ( -7.626 -8.501 0.000) 11.420 52.622 ( 0.791 -3.116 0.000) 3.214 52.664 ( 2.940 -1.636 0.000) 3.365 ======================= Grid point 355 (146/156) ======================= q-point: ( 0.30 0.70 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 12.619 0.425 0.000) 12.627 3.278 ( 8.292 -6.656 0.000) 10.633 3.515 ( 9.852 13.720 -0.000) 16.891 3.554 ( 7.802 0.987 0.000) 7.864 3.988 ( -7.281 -1.330 -0.000) 7.401 4.534 ( 1.376 -6.460 0.000) 6.605 5.020 ( -1.557 4.750 -0.000) 4.999 5.063 ( -3.498 9.968 -0.000) 10.564 5.544 ( 12.169 -10.010 0.000) 15.757 5.639 ( 15.223 -8.106 0.000) 17.247 6.268 ( -12.835 1.592 -0.000) 12.933 6.495 ( -2.354 -4.577 0.000) 5.147 14.001 ( 5.534 1.056 0.000) 5.633 14.148 ( -2.145 20.174 -0.000) 20.287 14.424 ( -18.396 -27.290 0.000) 32.911 14.633 ( 10.847 -5.373 0.000) 12.105 15.605 ( 5.884 4.539 0.000) 7.431 17.039 ( 32.460 -13.976 0.000) 35.341 20.906 ( -19.365 9.304 -0.000) 21.484 21.758 ( -13.668 -14.041 0.000) 19.595 22.479 ( -0.994 8.686 -0.000) 8.742 22.984 ( 8.691 4.741 0.000) 9.900 24.096 ( -2.670 -9.734 0.000) 10.094 24.875 ( 10.430 4.926 0.000) 11.535 25.014 ( -8.083 1.682 -0.000) 8.256 25.785 ( 11.188 -2.189 0.000) 11.400 26.912 ( -11.543 2.254 -0.000) 11.761 27.084 ( -10.160 4.731 -0.000) 11.208 49.569 ( -3.696 4.294 -0.000) 5.665 49.883 ( -1.177 -3.431 0.000) 3.628 50.146 ( -2.496 5.203 -0.000) 5.771 50.588 ( -2.803 0.475 -0.000) 2.843 51.270 ( -8.042 -12.271 0.000) 14.671 51.819 ( 10.283 10.201 0.000) 14.485 52.572 ( -0.178 -2.191 0.000) 2.198 52.678 ( 2.480 -1.830 0.000) 3.082 ======================= Grid point 360 (147/156) ======================= q-point: ( 0.30 0.50 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 6.045 -0.146 23.167) 23.944 2.565 ( 6.676 -12.142 21.980) 25.983 3.473 ( 1.182 1.744 -11.435) 11.628 3.588 ( 1.592 -7.073 -15.066) 16.720 4.145 ( 9.741 -8.345 23.305) 26.602 4.200 ( 0.017 0.199 7.158) 7.161 4.732 ( 1.714 0.424 -0.395) 1.809 5.259 ( 0.751 5.391 -6.420) 8.417 5.328 ( -2.590 -5.262 -5.995) 8.387 5.555 ( 4.024 -3.796 -25.252) 25.851 6.496 ( -0.761 0.761 3.192) 3.369 6.529 ( 0.160 -0.190 0.833) 0.869 13.232 ( 8.193 -3.045 42.870) 43.752 13.282 ( 6.074 -10.778 40.128) 41.992 14.908 ( -7.997 17.091 -19.300) 26.992 15.411 ( -11.024 -0.475 -5.754) 12.445 15.731 ( 5.636 -9.869 -46.268) 47.644 16.131 ( 19.998 -13.382 -25.256) 34.883 21.202 ( -19.320 18.746 37.591) 46.236 22.309 ( -0.285 14.065 -4.893) 14.894 22.643 ( -6.055 -7.413 -0.691) 9.596 22.883 ( 2.240 -1.547 -11.648) 11.961 23.962 ( 9.768 -11.340 13.174) 19.939 24.558 ( 2.657 -1.633 -16.120) 16.419 25.278 ( -5.451 -1.953 2.844) 6.452 25.381 ( 6.756 0.934 1.952) 7.095 27.144 ( -4.186 3.827 12.193) 13.447 27.563 ( -7.193 7.262 -8.806) 13.491 49.763 ( -4.476 2.713 -0.614) 5.270 49.859 ( 1.787 -0.031 -1.466) 2.311 50.560 ( -9.927 4.117 4.475) 11.641 50.630 ( -6.884 5.664 0.868) 8.957 51.207 ( 10.565 6.337 4.989) 13.292 51.540 ( 3.570 -13.103 -5.980) 14.839 52.512 ( 1.059 -1.398 3.543) 3.954 52.642 ( 0.836 -0.790 -3.094) 3.301 ======================= Grid point 361 (148/156) ======================= q-point: ( 0.35 0.65 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 8.528 -0.369 0.000) 8.536 3.095 ( 10.945 -9.733 0.000) 14.646 3.568 ( 8.526 0.002 0.000) 8.526 3.834 ( 15.231 12.651 0.000) 19.800 3.993 ( -6.383 1.497 -0.000) 6.556 4.352 ( -5.278 -8.850 0.000) 10.304 5.069 ( 4.064 -0.745 0.000) 4.132 5.208 ( 1.286 3.223 -0.000) 3.470 5.427 ( 13.080 -0.209 0.000) 13.082 5.578 ( 11.577 2.402 0.000) 11.823 6.312 ( -12.568 2.786 -0.000) 12.873 6.405 ( -5.428 -3.861 -0.000) 6.661 13.826 ( -24.704 -28.743 0.000) 37.900 13.994 ( 8.875 4.555 0.000) 9.976 14.532 ( 16.817 -3.437 0.000) 17.165 14.629 ( -7.654 19.322 -0.000) 20.782 15.848 ( 4.456 17.296 -0.000) 17.860 16.767 ( 34.151 -11.922 0.000) 36.172 21.090 ( -20.894 8.712 -0.000) 22.638 21.417 ( -15.131 -17.265 0.000) 22.957 22.597 ( -3.085 1.834 -0.000) 3.589 23.040 ( 7.893 0.299 0.000) 7.899 24.063 ( -1.596 5.835 -0.000) 6.049 24.944 ( 14.607 1.772 0.000) 14.714 25.081 ( -7.308 5.007 -0.000) 8.859 25.693 ( 9.976 -6.632 0.000) 11.979 26.952 ( -12.788 1.503 -0.000) 12.876 27.131 ( -9.583 -0.254 -0.000) 9.586 49.686 ( -2.587 6.735 -0.000) 7.215 49.800 ( -0.958 -4.487 0.000) 4.588 50.281 ( -1.127 7.469 -0.000) 7.554 50.623 ( -6.491 2.745 -0.000) 7.047 50.969 ( -5.688 -15.970 0.000) 16.952 51.954 ( 8.394 2.531 0.000) 8.767 52.559 ( -0.613 1.135 -0.000) 1.290 52.656 ( 2.537 -0.280 0.000) 2.552 ======================= Grid point 366 (149/156) ======================= q-point: ( 0.35 0.45 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 4.379 -3.233 24.536) 25.132 2.464 ( 11.877 3.078 21.797) 25.012 3.483 ( -0.227 -1.947 -13.915) 14.052 3.541 ( 4.943 2.894 -13.613) 14.769 4.031 ( 11.351 -0.806 30.894) 32.923 4.203 ( -1.131 0.166 6.861) 6.956 4.735 ( 0.394 -0.601 -3.630) 3.700 5.256 ( -3.679 -1.362 -5.884) 7.072 5.336 ( 3.392 1.818 -6.241) 7.332 5.513 ( 3.406 -0.066 -28.075) 28.281 6.504 ( -1.131 0.330 3.286) 3.491 6.522 ( 0.256 -0.306 2.049) 2.088 13.136 ( 4.040 -0.433 42.129) 42.324 13.224 ( 12.383 0.337 42.202) 43.982 15.071 ( -19.273 -5.146 -12.183) 23.374 15.394 ( -7.445 6.930 -25.926) 27.849 15.803 ( 11.673 11.486 -29.590) 33.819 15.847 ( 19.719 -13.282 -29.055) 37.543 21.431 ( -26.916 0.430 33.722) 43.149 22.399 ( -9.628 -10.371 -8.321) 16.416 22.586 ( 1.370 10.919 4.120) 11.751 22.879 ( 8.745 -0.976 -12.233) 15.069 23.837 ( 10.300 0.301 16.361) 19.335 24.542 ( 3.105 -0.282 -17.927) 18.196 25.283 ( -3.054 2.500 2.608) 4.731 25.365 ( 4.672 -2.568 2.263) 5.792 27.186 ( -4.389 0.100 13.028) 13.748 27.641 ( -7.775 -0.020 -10.188) 12.816 49.816 ( -2.263 2.295 -1.420) 3.522 49.836 ( -0.481 -2.308 -1.228) 2.658 50.590 ( -14.699 0.380 3.328) 15.075 50.806 ( -3.159 5.207 2.915) 6.752 51.107 ( -1.627 -9.583 2.594) 10.060 51.463 ( 16.667 3.917 -4.080) 17.601 52.499 ( 0.974 0.091 3.819) 3.942 52.633 ( 0.550 -0.010 -3.140) 3.188 ======================= Grid point 403 (150/156) ======================= q-point: (-0.65 -0.35 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -2.816 -5.873 0.000) 6.514 2.982 ( 6.351 -5.813 0.000) 8.610 3.368 ( 0.087 -7.531 0.000) 7.531 3.640 ( 0.287 -14.095 0.000) 14.098 4.221 ( 4.364 7.735 -0.000) 8.881 4.286 ( -4.820 0.917 -0.000) 4.906 5.019 ( -1.323 2.265 -0.000) 2.623 5.136 ( 1.722 -5.457 0.000) 5.722 5.281 ( 8.307 -9.585 0.000) 12.684 5.463 ( 3.375 -9.753 0.000) 10.321 6.471 ( -1.634 4.656 -0.000) 4.935 6.509 ( 1.414 2.794 -0.000) 3.131 13.895 ( -15.546 26.732 -0.000) 30.924 14.029 ( 15.302 -8.386 0.000) 17.449 14.103 ( -1.037 -17.189 0.000) 17.220 15.095 ( 7.790 9.984 -0.000) 12.664 15.844 ( -10.454 -32.893 0.000) 34.515 16.135 ( 23.049 -9.075 0.000) 24.771 21.386 ( -17.200 15.000 -0.000) 22.822 21.705 ( 8.057 21.039 -0.000) 22.529 22.711 ( 0.628 6.126 -0.000) 6.158 22.824 ( -8.126 -7.849 -0.000) 11.298 24.290 ( 13.180 0.553 0.000) 13.192 24.548 ( -2.574 -20.193 0.000) 20.357 25.342 ( 7.973 4.571 0.000) 9.191 25.381 ( -7.844 -5.138 -0.000) 9.377 27.207 ( -2.254 10.949 -0.000) 11.179 27.231 ( -6.549 6.873 -0.000) 9.493 49.718 ( -5.399 1.390 -0.000) 5.575 49.835 ( 3.980 0.691 0.000) 4.039 50.479 ( 4.862 4.545 0.000) 6.656 50.595 ( -17.257 1.592 -0.000) 17.331 51.045 ( 10.831 11.545 -0.000) 15.830 51.756 ( -2.327 -10.951 0.000) 11.195 52.605 ( 2.655 -0.748 0.000) 2.759 52.609 ( 0.449 -2.409 0.000) 2.450 ======================= Grid point 409 (151/156) ======================= q-point: ( 0.35 0.65 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 11.178 3.034 0.000) 11.583 3.064 ( 11.721 -7.449 0.000) 13.888 3.364 ( 5.220 4.681 0.000) 7.012 3.434 ( 3.148 -4.993 0.000) 5.902 4.157 ( -7.863 -0.597 -0.000) 7.886 4.430 ( 6.018 0.476 0.000) 6.036 5.096 ( 1.603 3.952 -0.000) 4.265 5.103 ( -2.172 0.329 -0.000) 2.197 5.317 ( 7.646 -11.591 0.000) 13.885 5.351 ( 11.094 -3.422 0.000) 11.609 6.464 ( -6.151 1.955 -0.000) 6.454 6.523 ( -0.605 -1.788 0.000) 1.888 13.872 ( 6.143 -8.750 0.000) 10.691 14.225 ( 19.270 -8.685 0.000) 21.137 14.256 ( -7.735 28.960 -0.000) 29.975 14.903 ( -20.019 -24.148 0.000) 31.367 15.464 ( 7.999 7.073 0.000) 10.678 16.413 ( 27.710 -13.926 0.000) 31.012 21.293 ( -18.625 11.419 -0.000) 21.847 22.030 ( -10.654 -3.494 -0.000) 11.212 22.504 ( -2.582 2.964 -0.000) 3.931 22.870 ( 3.132 5.165 -0.000) 6.040 24.151 ( -2.730 -10.505 0.000) 10.853 24.602 ( 15.507 0.756 0.000) 15.526 25.175 ( -7.326 0.216 -0.000) 7.330 25.569 ( 9.580 -0.620 0.000) 9.601 27.153 ( -11.344 3.865 -0.000) 11.984 27.269 ( -7.629 5.045 -0.000) 9.146 49.659 ( -4.837 3.633 -0.000) 6.050 49.881 ( 1.263 -1.856 0.000) 2.245 50.299 ( -12.183 2.678 -0.000) 12.474 50.623 ( -0.761 4.600 -0.000) 4.663 51.411 ( -5.289 -14.733 0.000) 15.654 51.569 ( 13.903 10.942 0.000) 17.692 52.573 ( 0.079 -1.542 0.000) 1.544 52.629 ( 2.284 -1.524 0.000) 2.746 ======================= Grid point 415 (152/156) ======================= q-point: ( 0.40 0.60 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 10.300 -9.149 0.000) 13.777 2.887 ( 9.679 3.053 0.000) 10.149 3.381 ( 7.199 -1.228 0.000) 7.303 3.534 ( 12.411 9.177 0.000) 15.435 4.163 ( -8.065 1.432 -0.000) 8.192 4.381 ( 1.656 -4.351 0.000) 4.655 5.092 ( -3.664 -5.144 0.000) 6.316 5.111 ( 7.974 -0.026 0.000) 7.974 5.172 ( 10.524 1.734 0.000) 10.666 5.389 ( 6.413 4.174 0.000) 7.652 6.489 ( -5.047 0.765 -0.000) 5.105 6.493 ( -3.117 -1.024 -0.000) 3.281 13.821 ( 7.802 4.136 0.000) 8.830 14.076 ( 14.019 -5.535 0.000) 15.072 14.389 ( -17.516 -23.067 0.000) 28.964 14.781 ( -6.836 21.342 -0.000) 22.410 15.729 ( 6.851 16.643 -0.000) 17.998 16.116 ( 27.968 -14.580 0.000) 31.541 21.515 ( -20.748 10.181 -0.000) 23.112 21.756 ( -17.224 -18.129 0.000) 25.007 22.648 ( -1.361 6.338 -0.000) 6.483 22.919 ( 4.880 -0.888 0.000) 4.960 24.091 ( -1.133 4.500 -0.000) 4.640 24.593 ( 18.387 -1.529 0.000) 18.450 25.217 ( -5.737 4.051 -0.000) 7.023 25.513 ( 7.583 -4.769 0.000) 8.958 27.212 ( -11.840 1.588 -0.000) 11.946 27.312 ( -7.787 -1.012 -0.000) 7.852 49.746 ( -3.061 4.541 -0.000) 5.477 49.819 ( -0.630 -4.185 0.000) 4.232 50.377 ( -8.496 4.712 -0.000) 9.715 50.744 ( -5.251 5.781 -0.000) 7.810 51.073 ( -4.157 -16.042 0.000) 16.572 51.733 ( 13.135 4.689 0.000) 13.947 52.565 ( -0.043 0.909 -0.000) 0.910 52.608 ( 2.057 -0.467 0.000) 2.110 ======================= Grid point 420 (153/156) ======================= q-point: ( 0.40 0.40 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 0.000 23.742) 23.742 2.336 ( 0.000 0.000 23.742) 23.742 3.494 ( -0.000 -0.000 -15.522) 15.522 3.494 ( -0.000 -0.000 -15.522) 15.522 3.892 ( 0.000 0.000 39.645) 39.645 4.213 ( 0.000 0.000 7.743) 7.743 4.740 ( -0.000 -0.000 -6.530) 6.530 5.295 ( -0.000 -0.000 -5.677) 5.677 5.295 ( -0.000 -0.000 -5.677) 5.677 5.477 ( -0.000 -0.000 -30.965) 30.965 6.515 ( 0.000 0.000 3.438) 3.438 6.515 ( 0.000 0.000 3.438) 3.438 13.091 ( 0.000 0.000 42.696) 42.696 13.091 ( 0.000 0.000 42.696) 42.696 15.370 ( 0.000 0.000 7.402) 7.402 15.554 ( -0.000 -0.000 -49.845) 49.845 15.554 ( -0.000 -0.000 -49.845) 49.845 15.591 ( -0.000 -0.000 -4.114) 4.114 21.792 ( 0.000 0.000 24.113) 24.113 22.523 ( 0.000 0.000 6.975) 6.975 22.523 ( 0.000 0.000 6.975) 6.975 22.740 ( -0.000 -0.000 -24.754) 24.754 23.719 ( 0.000 0.000 20.537) 20.537 24.518 ( -0.000 -0.000 -20.595) 20.595 25.315 ( 0.000 0.000 2.548) 2.548 25.315 ( 0.000 0.000 2.548) 2.548 27.232 ( 0.000 0.000 13.883) 13.883 27.725 ( -0.000 -0.000 -11.806) 11.806 49.841 ( -0.000 -0.000 -1.664) 1.664 49.841 ( -0.000 -0.000 -1.664) 1.664 50.840 ( 0.000 0.000 3.066) 3.066 50.840 ( 0.000 0.000 3.066) 3.066 51.098 ( 0.000 0.000 2.665) 2.665 51.219 ( -0.000 -0.000 -3.618) 3.618 52.488 ( 0.000 0.000 4.121) 4.121 52.628 ( -0.000 -0.000 -3.155) 3.155 ======================= Grid point 465 (154/156) ======================= q-point: ( 0.40 0.60 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 3.709 -1.170 0.000) 3.889 2.838 ( 9.424 -8.104 0.000) 12.429 3.294 ( 1.594 0.372 0.000) 1.637 3.400 ( 1.273 -8.197 0.000) 8.295 4.285 ( -4.249 -0.424 -0.000) 4.270 4.332 ( 3.422 2.671 0.000) 4.341 4.998 ( 4.957 -4.362 0.000) 6.603 5.024 ( 6.168 -4.621 0.000) 7.707 5.223 ( 2.931 3.167 -0.000) 4.315 5.289 ( -1.342 -6.926 0.000) 7.055 6.532 ( -0.527 0.188 -0.000) 0.559 6.534 ( -1.135 1.568 -0.000) 1.935 13.771 ( 3.118 -10.522 0.000) 10.974 13.865 ( 14.304 -7.077 0.000) 15.959 14.462 ( -12.357 24.407 -0.000) 27.357 15.174 ( 4.402 -16.550 0.000) 17.125 15.373 ( -9.439 1.882 -0.000) 9.624 15.922 ( 19.961 -11.555 0.000) 23.064 21.687 ( -20.034 14.037 -0.000) 24.462 22.104 ( 3.450 15.663 -0.000) 16.039 22.631 ( -8.843 -10.140 0.000) 13.454 22.805 ( 4.757 2.318 0.000) 5.292 24.206 ( -2.609 -11.517 0.000) 11.809 24.286 ( 13.636 -0.955 0.000) 13.670 25.306 ( -5.306 -1.978 -0.000) 5.663 25.401 ( 6.552 1.125 0.000) 6.648 27.352 ( -7.457 4.650 -0.000) 8.788 27.387 ( -3.577 6.041 -0.000) 7.020 49.756 ( -4.330 2.177 -0.000) 4.846 49.845 ( 2.018 0.029 0.000) 2.018 50.615 ( -17.422 0.506 -0.000) 17.430 50.627 ( 0.177 9.699 -0.000) 9.700 51.266 ( 14.713 9.571 0.000) 17.552 51.472 ( -0.404 -16.421 0.000) 16.426 52.571 ( 0.007 -1.141 0.000) 1.141 52.587 ( 1.690 -0.827 0.000) 1.881 ======================= Grid point 471 (155/156) ======================= q-point: ( 0.45 0.55 -0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 7.017 -5.014 0.000) 8.624 2.699 ( 7.682 3.971 0.000) 8.648 3.299 ( 1.232 -2.215 0.000) 2.535 3.349 ( 5.608 3.601 0.000) 6.664 4.288 ( -3.688 0.977 -0.000) 3.815 4.338 ( 1.744 -1.373 0.000) 2.219 4.948 ( 6.114 0.561 0.000) 6.139 4.964 ( 7.110 -1.188 0.000) 7.208 5.200 ( -3.820 -1.292 -0.000) 4.032 5.287 ( 3.944 1.878 0.000) 4.368 6.536 ( -1.266 0.304 -0.000) 1.303 6.543 ( -0.875 -0.323 -0.000) 0.933 13.685 ( 5.082 2.486 0.000) 5.657 13.762 ( 12.288 -2.445 0.000) 12.529 14.768 ( -15.510 -17.715 0.000) 23.545 14.899 ( -4.360 17.977 -0.000) 18.498 15.583 ( 6.792 13.524 -0.000) 15.134 15.661 ( 15.632 -13.977 0.000) 20.970 21.947 ( -20.949 10.798 -0.000) 23.568 22.089 ( -14.115 -16.657 0.000) 21.833 22.638 ( 2.399 10.255 -0.000) 10.532 22.783 ( 9.574 -4.656 0.000) 10.646 24.110 ( -0.738 2.338 -0.000) 2.451 24.254 ( 12.794 -2.022 0.000) 12.953 25.308 ( -3.032 2.342 -0.000) 3.831 25.387 ( 4.446 -2.443 0.000) 5.073 27.412 ( -7.150 1.012 -0.000) 7.221 27.441 ( -4.502 -0.918 -0.000) 4.594 49.802 ( -2.133 2.208 -0.000) 3.070 49.825 ( -0.054 -2.191 0.000) 2.191 50.621 ( -14.607 0.247 -0.000) 14.609 50.834 ( -3.255 5.756 -0.000) 6.612 51.135 ( -1.928 -11.360 0.000) 11.522 51.422 ( 16.623 5.253 0.000) 17.433 52.564 ( 0.117 0.456 -0.000) 0.470 52.574 ( 1.142 -0.380 0.000) 1.203 ======================= Grid point 527 (156/156) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.000 -0.000 -0.000) 0.000 2.613 ( -0.000 -0.000 -0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 4.320 ( -0.000 -0.000 -0.708) 0.708 4.320 ( 0.000 0.000 0.708) 0.708 4.888 ( -0.000 -0.000 -27.234) 27.234 4.888 ( 0.000 0.000 27.234) 27.234 5.241 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 13.630 ( 0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 0.000) 0.000 14.947 ( 0.000 0.000 0.000) 0.000 15.496 ( -0.000 -0.000 -5.881) 5.881 15.496 ( 0.000 0.000 5.881) 5.881 22.263 ( -0.000 -0.000 -25.481) 25.481 22.263 ( 0.000 0.000 25.481) 25.481 22.589 ( 0.000 0.000 0.000) 0.000 22.589 ( 0.000 0.000 0.000) 0.000 24.118 ( -0.000 -0.000 -21.472) 21.472 24.118 ( 0.000 0.000 21.472) 21.472 25.340 ( 0.000 0.000 0.000) 0.000 25.340 ( 0.000 0.000 0.000) 0.000 27.488 ( -0.000 -0.000 -13.204) 13.204 27.488 ( 0.000 0.000 13.204) 13.204 49.825 ( 0.000 0.000 0.000) 0.000 49.825 ( 0.000 0.000 0.000) 0.000 50.869 ( 0.000 0.000 0.000) 0.000 50.869 ( 0.000 0.000 0.000) 0.000 51.154 ( -0.000 -0.000 -3.222) 3.222 51.154 ( 0.000 0.000 3.222) 3.222 52.563 ( -0.000 -0.000 -3.720) 3.720 52.563 ( 0.000 0.000 3.720) 3.720 =================== 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 3/36000 10.0 1984.263 1984.263 2338.530 0.000 0.000 -0.000 3/36000 20.0 421.030 421.030 377.698 0.000 0.000 -0.000 3/36000 30.0 126.509 126.509 104.714 0.000 0.000 -0.000 3/36000 40.0 59.688 59.688 47.007 0.000 0.000 -0.000 3/36000 50.0 37.195 37.195 28.119 0.000 0.000 -0.000 3/36000 60.0 27.159 27.159 19.837 0.000 0.000 -0.000 3/36000 70.0 21.696 21.696 15.423 0.000 0.000 -0.000 3/36000 80.0 18.266 18.266 12.731 0.000 0.000 -0.000 3/36000 90.0 15.882 15.882 10.923 0.000 0.000 -0.000 3/36000 100.0 14.099 14.099 9.621 0.000 0.000 -0.000 3/36000 110.0 12.694 12.694 8.630 0.000 0.000 -0.000 3/36000 120.0 11.544 11.544 7.845 0.000 0.000 -0.000 3/36000 130.0 10.579 10.579 7.204 0.000 0.000 -0.000 3/36000 140.0 9.752 9.752 6.666 0.000 0.000 -0.000 3/36000 150.0 9.034 9.034 6.206 0.000 0.000 -0.000 3/36000 160.0 8.405 8.405 5.808 0.000 0.000 -0.000 3/36000 170.0 7.849 7.849 5.459 0.000 0.000 -0.000 3/36000 180.0 7.354 7.354 5.150 0.000 0.000 -0.000 3/36000 190.0 6.912 6.912 4.874 0.000 0.000 -0.000 3/36000 200.0 6.515 6.515 4.627 0.000 0.000 -0.000 3/36000 210.0 6.158 6.158 4.403 0.000 0.000 -0.000 3/36000 220.0 5.834 5.834 4.200 0.000 0.000 -0.000 3/36000 230.0 5.541 5.541 4.015 0.000 0.000 -0.000 3/36000 240.0 5.274 5.274 3.846 0.000 0.000 -0.000 3/36000 250.0 5.030 5.030 3.690 0.000 0.000 -0.000 3/36000 260.0 4.806 4.806 3.546 0.000 0.000 -0.000 3/36000 270.0 4.601 4.601 3.413 0.000 0.000 -0.000 3/36000 280.0 4.412 4.412 3.290 0.000 0.000 -0.000 3/36000 290.0 4.237 4.237 3.176 0.000 0.000 -0.000 3/36000 300.0 4.075 4.075 3.069 0.000 0.000 -0.000 3/36000 310.0 3.925 3.925 2.969 0.000 0.000 -0.000 3/36000 320.0 3.786 3.786 2.875 0.000 0.000 -0.000 3/36000 330.0 3.656 3.656 2.787 0.000 0.000 -0.000 3/36000 340.0 3.534 3.534 2.705 0.000 0.000 -0.000 3/36000 350.0 3.420 3.420 2.627 0.000 0.000 -0.000 3/36000 360.0 3.313 3.313 2.553 0.000 0.000 -0.000 3/36000 370.0 3.213 3.213 2.484 0.000 0.000 -0.000 3/36000 380.0 3.119 3.119 2.418 0.000 0.000 -0.000 3/36000 390.0 3.030 3.030 2.355 0.000 0.000 -0.000 3/36000 400.0 2.946 2.946 2.296 0.000 0.000 -0.000 3/36000 410.0 2.866 2.866 2.240 0.000 0.000 -0.000 3/36000 420.0 2.791 2.791 2.186 0.000 0.000 -0.000 3/36000 430.0 2.719 2.719 2.135 0.000 0.000 -0.000 3/36000 440.0 2.651 2.651 2.086 0.000 0.000 -0.000 3/36000 450.0 2.587 2.587 2.039 0.000 0.000 -0.000 3/36000 460.0 2.526 2.526 1.995 0.000 0.000 -0.000 3/36000 470.0 2.467 2.467 1.952 0.000 0.000 -0.000 3/36000 480.0 2.411 2.411 1.911 0.000 0.000 -0.000 3/36000 490.0 2.358 2.358 1.872 0.000 0.000 -0.000 3/36000 500.0 2.307 2.307 1.834 0.000 0.000 -0.000 3/36000 510.0 2.258 2.258 1.798 0.000 0.000 -0.000 3/36000 520.0 2.211 2.211 1.763 0.000 0.000 -0.000 3/36000 530.0 2.166 2.166 1.730 0.000 0.000 -0.000 3/36000 540.0 2.123 2.123 1.698 0.000 0.000 -0.000 3/36000 550.0 2.082 2.082 1.667 0.000 0.000 -0.000 3/36000 560.0 2.042 2.042 1.637 0.000 0.000 -0.000 3/36000 570.0 2.004 2.004 1.608 0.000 0.000 -0.000 3/36000 580.0 1.967 1.967 1.580 0.000 0.000 -0.000 3/36000 590.0 1.932 1.932 1.553 0.000 0.000 -0.000 3/36000 600.0 1.898 1.898 1.527 0.000 0.000 -0.000 3/36000 610.0 1.865 1.865 1.502 0.000 0.000 -0.000 3/36000 620.0 1.833 1.833 1.478 0.000 0.000 -0.000 3/36000 630.0 1.802 1.802 1.454 0.000 0.000 -0.000 3/36000 640.0 1.773 1.773 1.431 0.000 0.000 -0.000 3/36000 650.0 1.744 1.744 1.409 0.000 0.000 -0.000 3/36000 660.0 1.716 1.716 1.388 0.000 0.000 -0.000 3/36000 670.0 1.689 1.689 1.367 0.000 0.000 -0.000 3/36000 680.0 1.663 1.663 1.347 0.000 0.000 -0.000 3/36000 690.0 1.638 1.638 1.327 0.000 0.000 -0.000 3/36000 700.0 1.613 1.613 1.308 0.000 0.000 -0.000 3/36000 710.0 1.590 1.590 1.290 0.000 0.000 -0.000 3/36000 720.0 1.567 1.567 1.272 0.000 0.000 -0.000 3/36000 730.0 1.544 1.544 1.254 0.000 0.000 -0.000 3/36000 740.0 1.522 1.522 1.237 0.000 0.000 -0.000 3/36000 750.0 1.501 1.501 1.220 0.000 0.000 -0.000 3/36000 760.0 1.481 1.481 1.204 0.000 0.000 -0.000 3/36000 770.0 1.461 1.461 1.189 0.000 0.000 -0.000 3/36000 780.0 1.441 1.441 1.173 0.000 0.000 -0.000 3/36000 790.0 1.422 1.422 1.158 0.000 0.000 -0.000 3/36000 800.0 1.404 1.404 1.144 0.000 0.000 -0.000 3/36000 810.0 1.386 1.386 1.130 0.000 0.000 -0.000 3/36000 820.0 1.368 1.368 1.116 0.000 0.000 -0.000 3/36000 830.0 1.351 1.351 1.102 0.000 0.000 -0.000 3/36000 840.0 1.335 1.335 1.089 0.000 0.000 -0.000 3/36000 850.0 1.319 1.319 1.076 0.000 0.000 -0.000 3/36000 860.0 1.303 1.303 1.064 0.000 0.000 -0.000 3/36000 870.0 1.287 1.287 1.052 0.000 0.000 -0.000 3/36000 880.0 1.272 1.272 1.040 0.000 0.000 -0.000 3/36000 890.0 1.258 1.258 1.028 0.000 0.000 -0.000 3/36000 900.0 1.243 1.243 1.016 0.000 0.000 -0.000 3/36000 910.0 1.229 1.229 1.005 0.000 0.000 -0.000 3/36000 920.0 1.215 1.215 0.994 0.000 0.000 -0.000 3/36000 930.0 1.202 1.202 0.984 0.000 0.000 -0.000 3/36000 940.0 1.189 1.189 0.973 0.000 0.000 -0.000 3/36000 950.0 1.176 1.176 0.963 0.000 0.000 -0.000 3/36000 960.0 1.163 1.163 0.953 0.000 0.000 -0.000 3/36000 970.0 1.151 1.151 0.943 0.000 0.000 -0.000 3/36000 980.0 1.139 1.139 0.933 0.000 0.000 -0.000 3/36000 990.0 1.127 1.127 0.924 0.000 0.000 -0.000 3/36000 1000.0 1.116 1.116 0.915 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m51020.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:35:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|