----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:48:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.822632905552045 -1.933209255000000 0.000000000000000 b 7.822632905552045 1.933209255000000 0.000000000000000 c -1.967767200935919 0.000000000000000 7.155493498112866 Atomic positions (fractional): *1 O 0.49982778045949 0.49982778045949 0.71387073997502 15.999 2 O 0.50017221954051 0.50017221954051 0.28612926002498 15.999 *3 I 0.12356162995190 0.12356162995190 0.06877163761366 126.904 4 I 0.87643837004810 0.87643837004810 0.93122836238634 126.904 *5 I 0.15197065301294 0.15197065301294 0.58573660218295 126.904 6 I 0.84802934698706 0.84802934698706 0.41426339781705 126.904 *7 Ta 0.99979904133948 0.99979904133948 0.70660812337120 180.948 8 Ta 0.00020095866052 0.00020095866052 0.29339187662881 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.645265811104091 0.000000000000000 0.000000000000000 b 0.000000000000000 3.866418510000000 0.000000000000000 c -1.967767200935919 0.000000000000000 7.155493498112866 Atomic positions (fractional): *1 O 0.99982778045949 0.50000000000000 0.71387073997502 15.999 > 1 2 O 0.50017221954051 0.00000000000000 0.28612926002498 15.999 > 2 3 O 0.49982778045949 0.00000000000000 0.71387073997502 15.999 > 1 4 O 0.00017221954051 0.50000000000000 0.28612926002498 15.999 > 2 *5 I 0.62356162995190 0.50000000000000 0.06877163761366 126.904 > 3 6 I 0.87643837004810 0.00000000000000 0.93122836238634 126.904 > 4 *7 I 0.65197065301294 0.50000000000000 0.58573660218295 126.904 > 5 8 I 0.84802934698706 0.00000000000000 0.41426339781705 126.904 > 6 9 I 0.12356162995190 0.00000000000000 0.06877163761366 126.904 > 3 10 I 0.37643837004810 0.50000000000000 0.93122836238634 126.904 > 4 11 I 0.15197065301294 0.00000000000000 0.58573660218295 126.904 > 5 12 I 0.34802934698706 0.50000000000000 0.41426339781705 126.904 > 6 *13 Ta 0.99979904133948 0.00000000000000 0.70660812337120 180.948 > 7 14 Ta 0.50020095866052 0.50000000000000 0.29339187662881 180.948 > 8 15 Ta 0.49979904133948 0.50000000000000 0.70660812337120 180.948 > 7 16 Ta 0.00020095866052 0.00000000000000 0.29339187662881 180.948 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.645265811104091 0.000000000000000 0.000000000000000 b 0.000000000000000 15.465674040000000 0.000000000000000 c -3.935534401871838 0.000000000000000 14.310986996225733 Atomic positions (fractional): *1 O 0.99982778045949 0.12500000000000 0.35693536998751 15.999 > 1 2 O 0.99982778045949 0.37500000000000 0.35693536998751 15.999 > 1 3 O 0.99982778045949 0.62500000000000 0.35693536998751 15.999 > 1 4 O 0.99982778045949 0.87500000000000 0.35693536998751 15.999 > 1 5 O 0.99982778045949 0.12500000000000 0.85693536998751 15.999 > 1 6 O 0.99982778045949 0.37500000000000 0.85693536998751 15.999 > 1 7 O 0.99982778045949 0.62500000000000 0.85693536998751 15.999 > 1 8 O 0.99982778045949 0.87500000000000 0.85693536998751 15.999 > 1 9 O 0.50017221954051 0.00000000000000 0.14306463001249 15.999 > 2 10 O 0.50017221954051 0.25000000000000 0.14306463001249 15.999 > 2 11 O 0.50017221954051 0.50000000000000 0.14306463001249 15.999 > 2 12 O 0.50017221954051 0.75000000000000 0.14306463001249 15.999 > 2 13 O 0.50017221954051 0.00000000000000 0.64306463001249 15.999 > 2 14 O 0.50017221954051 0.25000000000000 0.64306463001249 15.999 > 2 15 O 0.50017221954051 0.50000000000000 0.64306463001249 15.999 > 2 16 O 0.50017221954051 0.75000000000000 0.64306463001249 15.999 > 2 17 O 0.49982778045949 0.00000000000000 0.35693536998751 15.999 > 1 18 O 0.49982778045949 0.25000000000000 0.35693536998751 15.999 > 1 19 O 0.49982778045949 0.50000000000000 0.35693536998751 15.999 > 1 20 O 0.49982778045949 0.75000000000000 0.35693536998751 15.999 > 1 21 O 0.49982778045949 0.00000000000000 0.85693536998751 15.999 > 1 22 O 0.49982778045949 0.25000000000000 0.85693536998751 15.999 > 1 23 O 0.49982778045949 0.50000000000000 0.85693536998751 15.999 > 1 24 O 0.49982778045949 0.75000000000000 0.85693536998751 15.999 > 1 25 O 0.00017221954051 0.12500000000000 0.14306463001249 15.999 > 2 26 O 0.00017221954051 0.37500000000000 0.14306463001249 15.999 > 2 27 O 0.00017221954051 0.62500000000000 0.14306463001249 15.999 > 2 28 O 0.00017221954051 0.87500000000000 0.14306463001249 15.999 > 2 29 O 0.00017221954051 0.12500000000000 0.64306463001249 15.999 > 2 30 O 0.00017221954051 0.37500000000000 0.64306463001249 15.999 > 2 31 O 0.00017221954051 0.62500000000000 0.64306463001249 15.999 > 2 32 O 0.00017221954051 0.87500000000000 0.64306463001249 15.999 > 2 *33 I 0.62356162995190 0.12500000000000 0.03438581880683 126.904 > 3 34 I 0.62356162995190 0.37500000000000 0.03438581880683 126.904 > 3 35 I 0.62356162995190 0.62500000000000 0.03438581880683 126.904 > 3 36 I 0.62356162995190 0.87500000000000 0.03438581880683 126.904 > 3 37 I 0.62356162995190 0.12500000000000 0.53438581880683 126.904 > 3 38 I 0.62356162995190 0.37500000000000 0.53438581880683 126.904 > 3 39 I 0.62356162995190 0.62500000000000 0.53438581880683 126.904 > 3 40 I 0.62356162995190 0.87500000000000 0.53438581880683 126.904 > 3 41 I 0.87643837004810 0.00000000000000 0.46561418119317 126.904 > 4 42 I 0.87643837004810 0.25000000000000 0.46561418119317 126.904 > 4 43 I 0.87643837004810 0.50000000000000 0.46561418119317 126.904 > 4 44 I 0.87643837004810 0.75000000000000 0.46561418119317 126.904 > 4 45 I 0.87643837004810 0.00000000000000 0.96561418119317 126.904 > 4 46 I 0.87643837004810 0.25000000000000 0.96561418119317 126.904 > 4 47 I 0.87643837004810 0.50000000000000 0.96561418119317 126.904 > 4 48 I 0.87643837004810 0.75000000000000 0.96561418119317 126.904 > 4 *49 I 0.65197065301294 0.12500000000000 0.29286830109148 126.904 > 5 50 I 0.65197065301294 0.37500000000000 0.29286830109148 126.904 > 5 51 I 0.65197065301294 0.62500000000000 0.29286830109148 126.904 > 5 52 I 0.65197065301294 0.87500000000000 0.29286830109148 126.904 > 5 53 I 0.65197065301294 0.12500000000000 0.79286830109148 126.904 > 5 54 I 0.65197065301294 0.37500000000000 0.79286830109148 126.904 > 5 55 I 0.65197065301294 0.62500000000000 0.79286830109148 126.904 > 5 56 I 0.65197065301294 0.87500000000000 0.79286830109148 126.904 > 5 57 I 0.84802934698706 0.00000000000000 0.20713169890852 126.904 > 6 58 I 0.84802934698706 0.25000000000000 0.20713169890852 126.904 > 6 59 I 0.84802934698706 0.50000000000000 0.20713169890852 126.904 > 6 60 I 0.84802934698706 0.75000000000000 0.20713169890852 126.904 > 6 61 I 0.84802934698706 0.00000000000000 0.70713169890852 126.904 > 6 62 I 0.84802934698706 0.25000000000000 0.70713169890852 126.904 > 6 63 I 0.84802934698706 0.50000000000000 0.70713169890852 126.904 > 6 64 I 0.84802934698706 0.75000000000000 0.70713169890852 126.904 > 6 65 I 0.12356162995190 0.00000000000000 0.03438581880683 126.904 > 3 66 I 0.12356162995190 0.25000000000000 0.03438581880683 126.904 > 3 67 I 0.12356162995190 0.50000000000000 0.03438581880683 126.904 > 3 68 I 0.12356162995190 0.75000000000000 0.03438581880683 126.904 > 3 69 I 0.12356162995190 0.00000000000000 0.53438581880683 126.904 > 3 70 I 0.12356162995190 0.25000000000000 0.53438581880683 126.904 > 3 71 I 0.12356162995190 0.50000000000000 0.53438581880683 126.904 > 3 72 I 0.12356162995190 0.75000000000000 0.53438581880683 126.904 > 3 73 I 0.37643837004810 0.12500000000000 0.46561418119317 126.904 > 4 74 I 0.37643837004810 0.37500000000000 0.46561418119317 126.904 > 4 75 I 0.37643837004810 0.62500000000000 0.46561418119317 126.904 > 4 76 I 0.37643837004810 0.87500000000000 0.46561418119317 126.904 > 4 77 I 0.37643837004810 0.12500000000000 0.96561418119317 126.904 > 4 78 I 0.37643837004810 0.37500000000000 0.96561418119317 126.904 > 4 79 I 0.37643837004810 0.62500000000000 0.96561418119317 126.904 > 4 80 I 0.37643837004810 0.87500000000000 0.96561418119317 126.904 > 4 81 I 0.15197065301294 0.00000000000000 0.29286830109148 126.904 > 5 82 I 0.15197065301294 0.25000000000000 0.29286830109148 126.904 > 5 83 I 0.15197065301294 0.50000000000000 0.29286830109148 126.904 > 5 84 I 0.15197065301294 0.75000000000000 0.29286830109148 126.904 > 5 85 I 0.15197065301294 0.00000000000000 0.79286830109148 126.904 > 5 86 I 0.15197065301294 0.25000000000000 0.79286830109148 126.904 > 5 87 I 0.15197065301294 0.50000000000000 0.79286830109148 126.904 > 5 88 I 0.15197065301294 0.75000000000000 0.79286830109148 126.904 > 5 89 I 0.34802934698706 0.12500000000000 0.20713169890852 126.904 > 6 90 I 0.34802934698706 0.37500000000000 0.20713169890852 126.904 > 6 91 I 0.34802934698706 0.62500000000000 0.20713169890852 126.904 > 6 92 I 0.34802934698706 0.87500000000000 0.20713169890852 126.904 > 6 93 I 0.34802934698706 0.12500000000000 0.70713169890852 126.904 > 6 94 I 0.34802934698706 0.37500000000000 0.70713169890852 126.904 > 6 95 I 0.34802934698706 0.62500000000000 0.70713169890852 126.904 > 6 96 I 0.34802934698706 0.87500000000000 0.70713169890852 126.904 > 6 *97 Ta 0.99979904133948 0.00000000000000 0.35330406168560 180.948 > 7 98 Ta 0.99979904133948 0.25000000000000 0.35330406168560 180.948 > 7 99 Ta 0.99979904133948 0.50000000000000 0.35330406168560 180.948 > 7 100 Ta 0.99979904133948 0.75000000000000 0.35330406168560 180.948 > 7 101 Ta 0.99979904133948 0.00000000000000 0.85330406168560 180.948 > 7 102 Ta 0.99979904133948 0.25000000000000 0.85330406168560 180.948 > 7 103 Ta 0.99979904133948 0.50000000000000 0.85330406168560 180.948 > 7 104 Ta 0.99979904133948 0.75000000000000 0.85330406168560 180.948 > 7 105 Ta 0.50020095866052 0.12500000000000 0.14669593831440 180.948 > 8 106 Ta 0.50020095866052 0.37500000000000 0.14669593831440 180.948 > 8 107 Ta 0.50020095866052 0.62500000000000 0.14669593831440 180.948 > 8 108 Ta 0.50020095866052 0.87500000000000 0.14669593831440 180.948 > 8 109 Ta 0.50020095866052 0.12500000000000 0.64669593831440 180.948 > 8 110 Ta 0.50020095866052 0.37500000000000 0.64669593831440 180.948 > 8 111 Ta 0.50020095866052 0.62500000000000 0.64669593831440 180.948 > 8 112 Ta 0.50020095866052 0.87500000000000 0.64669593831440 180.948 > 8 113 Ta 0.49979904133948 0.12500000000000 0.35330406168560 180.948 > 7 114 Ta 0.49979904133948 0.37500000000000 0.35330406168560 180.948 > 7 115 Ta 0.49979904133948 0.62500000000000 0.35330406168560 180.948 > 7 116 Ta 0.49979904133948 0.87500000000000 0.35330406168560 180.948 > 7 117 Ta 0.49979904133948 0.12500000000000 0.85330406168560 180.948 > 7 118 Ta 0.49979904133948 0.37500000000000 0.85330406168560 180.948 > 7 119 Ta 0.49979904133948 0.62500000000000 0.85330406168560 180.948 > 7 120 Ta 0.49979904133948 0.87500000000000 0.85330406168560 180.948 > 7 121 Ta 0.00020095866052 0.00000000000000 0.14669593831440 180.948 > 8 122 Ta 0.00020095866052 0.25000000000000 0.14669593831440 180.948 > 8 123 Ta 0.00020095866052 0.50000000000000 0.14669593831440 180.948 > 8 124 Ta 0.00020095866052 0.75000000000000 0.14669593831440 180.948 > 8 125 Ta 0.00020095866052 0.00000000000000 0.64669593831440 180.948 > 8 126 Ta 0.00020095866052 0.25000000000000 0.64669593831440 180.948 > 8 127 Ta 0.00020095866052 0.50000000000000 0.64669593831440 180.948 > 8 128 Ta 0.00020095866052 0.75000000000000 0.64669593831440 180.948 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5932636 0.0000000 -1.0155334 0.0000000 6.3045491 0.0000000 -1.0155356 0.0000000 9.0794585 -------------------------- Born effective charges -------------------------- 1 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 2 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 3 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 4 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 5 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 6 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 7 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 8 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1304 Number of blocks in projector: 1304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1304, 1285), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (320, 313), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.790 Solver_block: 200 / 240 - Time: 1.804 Solver_block: 240 / 240 - Time: 0.794 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.418 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1304 Number of blocks in projector: 1304 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1304, 1285), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (320, 313), 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 07:48:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:48:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.822632905552045 -1.933209255000000 0.000000000000000 b 7.822632905552045 1.933209255000000 0.000000000000000 c -1.967767200935919 0.000000000000000 7.155493498112866 Atomic positions (fractional): 1 O 0.49982778045949 0.49982778045949 0.71387073997502 15.999 2 O 0.50017221954051 0.50017221954051 0.28612926002498 15.999 3 I 0.12356162995190 0.12356162995190 0.06877163761366 126.904 4 I 0.87643837004810 0.87643837004810 0.93122836238634 126.904 5 I 0.15197065301294 0.15197065301294 0.58573660218295 126.904 6 I 0.84802934698706 0.84802934698706 0.41426339781705 126.904 7 Ta 0.99979904133948 0.99979904133948 0.70660812337120 180.948 8 Ta 0.00020095866052 0.00020095866052 0.29339187662881 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.645265811104091 0.000000000000000 0.000000000000000 b 0.000000000000000 15.465674040000000 0.000000000000000 c -3.935534401871838 0.000000000000000 14.310986996225733 Atomic positions (fractional): 1 O 0.99982778045949 0.12500000000000 0.35693536998751 15.999 > 1 2 O 0.99982778045949 0.37500000000000 0.35693536998751 15.999 > 1 3 O 0.99982778045949 0.62500000000000 0.35693536998751 15.999 > 1 4 O 0.99982778045949 0.87500000000000 0.35693536998751 15.999 > 1 5 O 0.99982778045949 0.12500000000000 0.85693536998751 15.999 > 1 6 O 0.99982778045949 0.37500000000000 0.85693536998751 15.999 > 1 7 O 0.99982778045949 0.62500000000000 0.85693536998751 15.999 > 1 8 O 0.99982778045949 0.87500000000000 0.85693536998751 15.999 > 1 9 O 0.50017221954051 0.00000000000000 0.14306463001249 15.999 > 9 10 O 0.50017221954051 0.25000000000000 0.14306463001249 15.999 > 9 11 O 0.50017221954051 0.50000000000000 0.14306463001249 15.999 > 9 12 O 0.50017221954051 0.75000000000000 0.14306463001249 15.999 > 9 13 O 0.50017221954051 0.00000000000000 0.64306463001249 15.999 > 9 14 O 0.50017221954051 0.25000000000000 0.64306463001249 15.999 > 9 15 O 0.50017221954051 0.50000000000000 0.64306463001249 15.999 > 9 16 O 0.50017221954051 0.75000000000000 0.64306463001249 15.999 > 9 17 O 0.49982778045949 0.00000000000000 0.35693536998751 15.999 > 1 18 O 0.49982778045949 0.25000000000000 0.35693536998751 15.999 > 1 19 O 0.49982778045949 0.50000000000000 0.35693536998751 15.999 > 1 20 O 0.49982778045949 0.75000000000000 0.35693536998751 15.999 > 1 21 O 0.49982778045949 0.00000000000000 0.85693536998751 15.999 > 1 22 O 0.49982778045949 0.25000000000000 0.85693536998751 15.999 > 1 23 O 0.49982778045949 0.50000000000000 0.85693536998751 15.999 > 1 24 O 0.49982778045949 0.75000000000000 0.85693536998751 15.999 > 1 25 O 0.00017221954051 0.12500000000000 0.14306463001249 15.999 > 9 26 O 0.00017221954051 0.37500000000000 0.14306463001249 15.999 > 9 27 O 0.00017221954051 0.62500000000000 0.14306463001249 15.999 > 9 28 O 0.00017221954051 0.87500000000000 0.14306463001249 15.999 > 9 29 O 0.00017221954051 0.12500000000000 0.64306463001249 15.999 > 9 30 O 0.00017221954051 0.37500000000000 0.64306463001249 15.999 > 9 31 O 0.00017221954051 0.62500000000000 0.64306463001249 15.999 > 9 32 O 0.00017221954051 0.87500000000000 0.64306463001249 15.999 > 9 33 I 0.62356162995190 0.12500000000000 0.03438581880683 126.904 > 33 34 I 0.62356162995190 0.37500000000000 0.03438581880683 126.904 > 33 35 I 0.62356162995190 0.62500000000000 0.03438581880683 126.904 > 33 36 I 0.62356162995190 0.87500000000000 0.03438581880683 126.904 > 33 37 I 0.62356162995190 0.12500000000000 0.53438581880683 126.904 > 33 38 I 0.62356162995190 0.37500000000000 0.53438581880683 126.904 > 33 39 I 0.62356162995190 0.62500000000000 0.53438581880683 126.904 > 33 40 I 0.62356162995190 0.87500000000000 0.53438581880683 126.904 > 33 41 I 0.87643837004810 0.00000000000000 0.46561418119317 126.904 > 41 42 I 0.87643837004810 0.25000000000000 0.46561418119317 126.904 > 41 43 I 0.87643837004810 0.50000000000000 0.46561418119317 126.904 > 41 44 I 0.87643837004810 0.75000000000000 0.46561418119317 126.904 > 41 45 I 0.87643837004810 0.00000000000000 0.96561418119317 126.904 > 41 46 I 0.87643837004810 0.25000000000000 0.96561418119317 126.904 > 41 47 I 0.87643837004810 0.50000000000000 0.96561418119317 126.904 > 41 48 I 0.87643837004810 0.75000000000000 0.96561418119317 126.904 > 41 49 I 0.65197065301294 0.12500000000000 0.29286830109148 126.904 > 49 50 I 0.65197065301294 0.37500000000000 0.29286830109148 126.904 > 49 51 I 0.65197065301294 0.62500000000000 0.29286830109148 126.904 > 49 52 I 0.65197065301294 0.87500000000000 0.29286830109148 126.904 > 49 53 I 0.65197065301294 0.12500000000000 0.79286830109148 126.904 > 49 54 I 0.65197065301294 0.37500000000000 0.79286830109148 126.904 > 49 55 I 0.65197065301294 0.62500000000000 0.79286830109148 126.904 > 49 56 I 0.65197065301294 0.87500000000000 0.79286830109148 126.904 > 49 57 I 0.84802934698706 0.00000000000000 0.20713169890852 126.904 > 57 58 I 0.84802934698706 0.25000000000000 0.20713169890852 126.904 > 57 59 I 0.84802934698706 0.50000000000000 0.20713169890852 126.904 > 57 60 I 0.84802934698706 0.75000000000000 0.20713169890852 126.904 > 57 61 I 0.84802934698706 0.00000000000000 0.70713169890852 126.904 > 57 62 I 0.84802934698706 0.25000000000000 0.70713169890852 126.904 > 57 63 I 0.84802934698706 0.50000000000000 0.70713169890852 126.904 > 57 64 I 0.84802934698706 0.75000000000000 0.70713169890852 126.904 > 57 65 I 0.12356162995190 0.00000000000000 0.03438581880683 126.904 > 33 66 I 0.12356162995190 0.25000000000000 0.03438581880683 126.904 > 33 67 I 0.12356162995190 0.50000000000000 0.03438581880683 126.904 > 33 68 I 0.12356162995190 0.75000000000000 0.03438581880683 126.904 > 33 69 I 0.12356162995190 0.00000000000000 0.53438581880683 126.904 > 33 70 I 0.12356162995190 0.25000000000000 0.53438581880683 126.904 > 33 71 I 0.12356162995190 0.50000000000000 0.53438581880683 126.904 > 33 72 I 0.12356162995190 0.75000000000000 0.53438581880683 126.904 > 33 73 I 0.37643837004810 0.12500000000000 0.46561418119317 126.904 > 41 74 I 0.37643837004810 0.37500000000000 0.46561418119317 126.904 > 41 75 I 0.37643837004810 0.62500000000000 0.46561418119317 126.904 > 41 76 I 0.37643837004810 0.87500000000000 0.46561418119317 126.904 > 41 77 I 0.37643837004810 0.12500000000000 0.96561418119317 126.904 > 41 78 I 0.37643837004810 0.37500000000000 0.96561418119317 126.904 > 41 79 I 0.37643837004810 0.62500000000000 0.96561418119317 126.904 > 41 80 I 0.37643837004810 0.87500000000000 0.96561418119317 126.904 > 41 81 I 0.15197065301294 0.00000000000000 0.29286830109148 126.904 > 49 82 I 0.15197065301294 0.25000000000000 0.29286830109148 126.904 > 49 83 I 0.15197065301294 0.50000000000000 0.29286830109148 126.904 > 49 84 I 0.15197065301294 0.75000000000000 0.29286830109148 126.904 > 49 85 I 0.15197065301294 0.00000000000000 0.79286830109148 126.904 > 49 86 I 0.15197065301294 0.25000000000000 0.79286830109148 126.904 > 49 87 I 0.15197065301294 0.50000000000000 0.79286830109148 126.904 > 49 88 I 0.15197065301294 0.75000000000000 0.79286830109148 126.904 > 49 89 I 0.34802934698706 0.12500000000000 0.20713169890852 126.904 > 57 90 I 0.34802934698706 0.37500000000000 0.20713169890852 126.904 > 57 91 I 0.34802934698706 0.62500000000000 0.20713169890852 126.904 > 57 92 I 0.34802934698706 0.87500000000000 0.20713169890852 126.904 > 57 93 I 0.34802934698706 0.12500000000000 0.70713169890852 126.904 > 57 94 I 0.34802934698706 0.37500000000000 0.70713169890852 126.904 > 57 95 I 0.34802934698706 0.62500000000000 0.70713169890852 126.904 > 57 96 I 0.34802934698706 0.87500000000000 0.70713169890852 126.904 > 57 97 Ta 0.99979904133948 0.00000000000000 0.35330406168560 180.948 > 97 98 Ta 0.99979904133948 0.25000000000000 0.35330406168560 180.948 > 97 99 Ta 0.99979904133948 0.50000000000000 0.35330406168560 180.948 > 97 100 Ta 0.99979904133948 0.75000000000000 0.35330406168560 180.948 > 97 101 Ta 0.99979904133948 0.00000000000000 0.85330406168560 180.948 > 97 102 Ta 0.99979904133948 0.25000000000000 0.85330406168560 180.948 > 97 103 Ta 0.99979904133948 0.50000000000000 0.85330406168560 180.948 > 97 104 Ta 0.99979904133948 0.75000000000000 0.85330406168560 180.948 > 97 105 Ta 0.50020095866052 0.12500000000000 0.14669593831440 180.948 > 105 106 Ta 0.50020095866052 0.37500000000000 0.14669593831440 180.948 > 105 107 Ta 0.50020095866052 0.62500000000000 0.14669593831440 180.948 > 105 108 Ta 0.50020095866052 0.87500000000000 0.14669593831440 180.948 > 105 109 Ta 0.50020095866052 0.12500000000000 0.64669593831440 180.948 > 105 110 Ta 0.50020095866052 0.37500000000000 0.64669593831440 180.948 > 105 111 Ta 0.50020095866052 0.62500000000000 0.64669593831440 180.948 > 105 112 Ta 0.50020095866052 0.87500000000000 0.64669593831440 180.948 > 105 113 Ta 0.49979904133948 0.12500000000000 0.35330406168560 180.948 > 97 114 Ta 0.49979904133948 0.37500000000000 0.35330406168560 180.948 > 97 115 Ta 0.49979904133948 0.62500000000000 0.35330406168560 180.948 > 97 116 Ta 0.49979904133948 0.87500000000000 0.35330406168560 180.948 > 97 117 Ta 0.49979904133948 0.12500000000000 0.85330406168560 180.948 > 97 118 Ta 0.49979904133948 0.37500000000000 0.85330406168560 180.948 > 97 119 Ta 0.49979904133948 0.62500000000000 0.85330406168560 180.948 > 97 120 Ta 0.49979904133948 0.87500000000000 0.85330406168560 180.948 > 97 121 Ta 0.00020095866052 0.00000000000000 0.14669593831440 180.948 > 105 122 Ta 0.00020095866052 0.25000000000000 0.14669593831440 180.948 > 105 123 Ta 0.00020095866052 0.50000000000000 0.14669593831440 180.948 > 105 124 Ta 0.00020095866052 0.75000000000000 0.14669593831440 180.948 > 105 125 Ta 0.00020095866052 0.00000000000000 0.64669593831440 180.948 > 105 126 Ta 0.00020095866052 0.25000000000000 0.64669593831440 180.948 > 105 127 Ta 0.00020095866052 0.50000000000000 0.64669593831440 180.948 > 105 128 Ta 0.00020095866052 0.75000000000000 0.64669593831440 180.948 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5932636 0.0000000 -1.0155334 0.0000000 6.3045491 0.0000000 -1.0155356 0.0000000 9.0794585 -------------------------- Born effective charges -------------------------- 1 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 2 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 3 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 4 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 5 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 6 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 7 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 8 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 33, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 97, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 07:48:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:48:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.822632905552045 -1.933209255000000 0.000000000000000 b 7.822632905552045 1.933209255000000 0.000000000000000 c -1.967767200935919 0.000000000000000 7.155493498112866 Atomic positions (fractional): 1 O 0.49982778045949 0.49982778045949 0.71387073997502 15.999 2 O 0.50017221954051 0.50017221954051 0.28612926002498 15.999 3 I 0.12356162995190 0.12356162995190 0.06877163761366 126.904 4 I 0.87643837004810 0.87643837004810 0.93122836238634 126.904 5 I 0.15197065301294 0.15197065301294 0.58573660218295 126.904 6 I 0.84802934698706 0.84802934698706 0.41426339781705 126.904 7 Ta 0.99979904133948 0.99979904133948 0.70660812337120 180.948 8 Ta 0.00020095866052 0.00020095866052 0.29339187662881 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.645265811104091 0.000000000000000 0.000000000000000 b 0.000000000000000 15.465674040000000 0.000000000000000 c -3.935534401871838 0.000000000000000 14.310986996225733 Atomic positions (fractional): 1 O 0.99982778045949 0.12500000000000 0.35693536998751 15.999 > 1 2 O 0.99982778045949 0.37500000000000 0.35693536998751 15.999 > 1 3 O 0.99982778045949 0.62500000000000 0.35693536998751 15.999 > 1 4 O 0.99982778045949 0.87500000000000 0.35693536998751 15.999 > 1 5 O 0.99982778045949 0.12500000000000 0.85693536998751 15.999 > 1 6 O 0.99982778045949 0.37500000000000 0.85693536998751 15.999 > 1 7 O 0.99982778045949 0.62500000000000 0.85693536998751 15.999 > 1 8 O 0.99982778045949 0.87500000000000 0.85693536998751 15.999 > 1 9 O 0.50017221954051 0.00000000000000 0.14306463001249 15.999 > 9 10 O 0.50017221954051 0.25000000000000 0.14306463001249 15.999 > 9 11 O 0.50017221954051 0.50000000000000 0.14306463001249 15.999 > 9 12 O 0.50017221954051 0.75000000000000 0.14306463001249 15.999 > 9 13 O 0.50017221954051 0.00000000000000 0.64306463001249 15.999 > 9 14 O 0.50017221954051 0.25000000000000 0.64306463001249 15.999 > 9 15 O 0.50017221954051 0.50000000000000 0.64306463001249 15.999 > 9 16 O 0.50017221954051 0.75000000000000 0.64306463001249 15.999 > 9 17 O 0.49982778045949 0.00000000000000 0.35693536998751 15.999 > 1 18 O 0.49982778045949 0.25000000000000 0.35693536998751 15.999 > 1 19 O 0.49982778045949 0.50000000000000 0.35693536998751 15.999 > 1 20 O 0.49982778045949 0.75000000000000 0.35693536998751 15.999 > 1 21 O 0.49982778045949 0.00000000000000 0.85693536998751 15.999 > 1 22 O 0.49982778045949 0.25000000000000 0.85693536998751 15.999 > 1 23 O 0.49982778045949 0.50000000000000 0.85693536998751 15.999 > 1 24 O 0.49982778045949 0.75000000000000 0.85693536998751 15.999 > 1 25 O 0.00017221954051 0.12500000000000 0.14306463001249 15.999 > 9 26 O 0.00017221954051 0.37500000000000 0.14306463001249 15.999 > 9 27 O 0.00017221954051 0.62500000000000 0.14306463001249 15.999 > 9 28 O 0.00017221954051 0.87500000000000 0.14306463001249 15.999 > 9 29 O 0.00017221954051 0.12500000000000 0.64306463001249 15.999 > 9 30 O 0.00017221954051 0.37500000000000 0.64306463001249 15.999 > 9 31 O 0.00017221954051 0.62500000000000 0.64306463001249 15.999 > 9 32 O 0.00017221954051 0.87500000000000 0.64306463001249 15.999 > 9 33 I 0.62356162995190 0.12500000000000 0.03438581880683 126.904 > 33 34 I 0.62356162995190 0.37500000000000 0.03438581880683 126.904 > 33 35 I 0.62356162995190 0.62500000000000 0.03438581880683 126.904 > 33 36 I 0.62356162995190 0.87500000000000 0.03438581880683 126.904 > 33 37 I 0.62356162995190 0.12500000000000 0.53438581880683 126.904 > 33 38 I 0.62356162995190 0.37500000000000 0.53438581880683 126.904 > 33 39 I 0.62356162995190 0.62500000000000 0.53438581880683 126.904 > 33 40 I 0.62356162995190 0.87500000000000 0.53438581880683 126.904 > 33 41 I 0.87643837004810 0.00000000000000 0.46561418119317 126.904 > 41 42 I 0.87643837004810 0.25000000000000 0.46561418119317 126.904 > 41 43 I 0.87643837004810 0.50000000000000 0.46561418119317 126.904 > 41 44 I 0.87643837004810 0.75000000000000 0.46561418119317 126.904 > 41 45 I 0.87643837004810 0.00000000000000 0.96561418119317 126.904 > 41 46 I 0.87643837004810 0.25000000000000 0.96561418119317 126.904 > 41 47 I 0.87643837004810 0.50000000000000 0.96561418119317 126.904 > 41 48 I 0.87643837004810 0.75000000000000 0.96561418119317 126.904 > 41 49 I 0.65197065301294 0.12500000000000 0.29286830109148 126.904 > 49 50 I 0.65197065301294 0.37500000000000 0.29286830109148 126.904 > 49 51 I 0.65197065301294 0.62500000000000 0.29286830109148 126.904 > 49 52 I 0.65197065301294 0.87500000000000 0.29286830109148 126.904 > 49 53 I 0.65197065301294 0.12500000000000 0.79286830109148 126.904 > 49 54 I 0.65197065301294 0.37500000000000 0.79286830109148 126.904 > 49 55 I 0.65197065301294 0.62500000000000 0.79286830109148 126.904 > 49 56 I 0.65197065301294 0.87500000000000 0.79286830109148 126.904 > 49 57 I 0.84802934698706 0.00000000000000 0.20713169890852 126.904 > 57 58 I 0.84802934698706 0.25000000000000 0.20713169890852 126.904 > 57 59 I 0.84802934698706 0.50000000000000 0.20713169890852 126.904 > 57 60 I 0.84802934698706 0.75000000000000 0.20713169890852 126.904 > 57 61 I 0.84802934698706 0.00000000000000 0.70713169890852 126.904 > 57 62 I 0.84802934698706 0.25000000000000 0.70713169890852 126.904 > 57 63 I 0.84802934698706 0.50000000000000 0.70713169890852 126.904 > 57 64 I 0.84802934698706 0.75000000000000 0.70713169890852 126.904 > 57 65 I 0.12356162995190 0.00000000000000 0.03438581880683 126.904 > 33 66 I 0.12356162995190 0.25000000000000 0.03438581880683 126.904 > 33 67 I 0.12356162995190 0.50000000000000 0.03438581880683 126.904 > 33 68 I 0.12356162995190 0.75000000000000 0.03438581880683 126.904 > 33 69 I 0.12356162995190 0.00000000000000 0.53438581880683 126.904 > 33 70 I 0.12356162995190 0.25000000000000 0.53438581880683 126.904 > 33 71 I 0.12356162995190 0.50000000000000 0.53438581880683 126.904 > 33 72 I 0.12356162995190 0.75000000000000 0.53438581880683 126.904 > 33 73 I 0.37643837004810 0.12500000000000 0.46561418119317 126.904 > 41 74 I 0.37643837004810 0.37500000000000 0.46561418119317 126.904 > 41 75 I 0.37643837004810 0.62500000000000 0.46561418119317 126.904 > 41 76 I 0.37643837004810 0.87500000000000 0.46561418119317 126.904 > 41 77 I 0.37643837004810 0.12500000000000 0.96561418119317 126.904 > 41 78 I 0.37643837004810 0.37500000000000 0.96561418119317 126.904 > 41 79 I 0.37643837004810 0.62500000000000 0.96561418119317 126.904 > 41 80 I 0.37643837004810 0.87500000000000 0.96561418119317 126.904 > 41 81 I 0.15197065301294 0.00000000000000 0.29286830109148 126.904 > 49 82 I 0.15197065301294 0.25000000000000 0.29286830109148 126.904 > 49 83 I 0.15197065301294 0.50000000000000 0.29286830109148 126.904 > 49 84 I 0.15197065301294 0.75000000000000 0.29286830109148 126.904 > 49 85 I 0.15197065301294 0.00000000000000 0.79286830109148 126.904 > 49 86 I 0.15197065301294 0.25000000000000 0.79286830109148 126.904 > 49 87 I 0.15197065301294 0.50000000000000 0.79286830109148 126.904 > 49 88 I 0.15197065301294 0.75000000000000 0.79286830109148 126.904 > 49 89 I 0.34802934698706 0.12500000000000 0.20713169890852 126.904 > 57 90 I 0.34802934698706 0.37500000000000 0.20713169890852 126.904 > 57 91 I 0.34802934698706 0.62500000000000 0.20713169890852 126.904 > 57 92 I 0.34802934698706 0.87500000000000 0.20713169890852 126.904 > 57 93 I 0.34802934698706 0.12500000000000 0.70713169890852 126.904 > 57 94 I 0.34802934698706 0.37500000000000 0.70713169890852 126.904 > 57 95 I 0.34802934698706 0.62500000000000 0.70713169890852 126.904 > 57 96 I 0.34802934698706 0.87500000000000 0.70713169890852 126.904 > 57 97 Ta 0.99979904133948 0.00000000000000 0.35330406168560 180.948 > 97 98 Ta 0.99979904133948 0.25000000000000 0.35330406168560 180.948 > 97 99 Ta 0.99979904133948 0.50000000000000 0.35330406168560 180.948 > 97 100 Ta 0.99979904133948 0.75000000000000 0.35330406168560 180.948 > 97 101 Ta 0.99979904133948 0.00000000000000 0.85330406168560 180.948 > 97 102 Ta 0.99979904133948 0.25000000000000 0.85330406168560 180.948 > 97 103 Ta 0.99979904133948 0.50000000000000 0.85330406168560 180.948 > 97 104 Ta 0.99979904133948 0.75000000000000 0.85330406168560 180.948 > 97 105 Ta 0.50020095866052 0.12500000000000 0.14669593831440 180.948 > 105 106 Ta 0.50020095866052 0.37500000000000 0.14669593831440 180.948 > 105 107 Ta 0.50020095866052 0.62500000000000 0.14669593831440 180.948 > 105 108 Ta 0.50020095866052 0.87500000000000 0.14669593831440 180.948 > 105 109 Ta 0.50020095866052 0.12500000000000 0.64669593831440 180.948 > 105 110 Ta 0.50020095866052 0.37500000000000 0.64669593831440 180.948 > 105 111 Ta 0.50020095866052 0.62500000000000 0.64669593831440 180.948 > 105 112 Ta 0.50020095866052 0.87500000000000 0.64669593831440 180.948 > 105 113 Ta 0.49979904133948 0.12500000000000 0.35330406168560 180.948 > 97 114 Ta 0.49979904133948 0.37500000000000 0.35330406168560 180.948 > 97 115 Ta 0.49979904133948 0.62500000000000 0.35330406168560 180.948 > 97 116 Ta 0.49979904133948 0.87500000000000 0.35330406168560 180.948 > 97 117 Ta 0.49979904133948 0.12500000000000 0.85330406168560 180.948 > 97 118 Ta 0.49979904133948 0.37500000000000 0.85330406168560 180.948 > 97 119 Ta 0.49979904133948 0.62500000000000 0.85330406168560 180.948 > 97 120 Ta 0.49979904133948 0.87500000000000 0.85330406168560 180.948 > 97 121 Ta 0.00020095866052 0.00000000000000 0.14669593831440 180.948 > 105 122 Ta 0.00020095866052 0.25000000000000 0.14669593831440 180.948 > 105 123 Ta 0.00020095866052 0.50000000000000 0.14669593831440 180.948 > 105 124 Ta 0.00020095866052 0.75000000000000 0.14669593831440 180.948 > 105 125 Ta 0.00020095866052 0.00000000000000 0.64669593831440 180.948 > 105 126 Ta 0.00020095866052 0.25000000000000 0.64669593831440 180.948 > 105 127 Ta 0.00020095866052 0.50000000000000 0.64669593831440 180.948 > 105 128 Ta 0.00020095866052 0.75000000000000 0.64669593831440 180.948 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5932636 0.0000000 -1.0155334 0.0000000 6.3045491 0.0000000 -1.0155356 0.0000000 9.0794585 -------------------------- Born effective charges -------------------------- 1 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 2 O -0.9506627 0.0000000 0.1888158 0.0000000 -8.7594814 0.0000000 0.1936397 0.0000000 -1.6030468 3 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 4 I -0.5151908 0.0000000 0.3096363 0.0000000 -0.2105383 0.0000000 0.3127628 0.0000000 -1.6713803 5 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 6 I -0.6891271 0.0000000 0.0343372 0.0000000 -0.0206841 0.0000000 0.0503303 0.0000000 -0.6576885 7 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 8 Ta 2.1549806 0.0000000 -0.5327893 0.0000000 8.9907039 0.0000000 -0.5567328 0.0000000 3.9321156 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) 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 ... [ 13 13 7 ] 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: 0.69, Number of G-points: 313, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/322) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.710 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/322) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 2.984 -11.897 0.702) 12.285 0.353 ( 1.125 -16.317 0.867) 16.379 1.231 ( 0.280 -44.686 0.113) 44.687 1.681 ( 0.100 -4.643 0.092) 4.645 1.801 ( -0.051 0.584 -0.073) 0.591 1.952 ( -0.233 -1.014 -0.022) 1.041 2.322 ( -0.406 -2.541 0.526) 2.626 2.778 ( -0.018 -65.347 0.049) 65.347 3.037 ( -0.639 -10.303 -0.082) 10.323 3.107 ( -2.883 -36.179 -0.672) 36.300 3.124 ( -0.393 -14.384 -0.499) 14.398 3.545 ( 0.097 0.491 -0.535) 0.733 3.885 ( -0.102 -5.786 1.007) 5.874 4.014 ( -0.232 2.119 0.458) 2.180 4.053 ( -0.257 1.093 -1.186) 1.633 4.308 ( -0.061 -12.106 -0.063) 12.106 5.320 ( -0.143 1.528 0.482) 1.608 6.024 ( 0.959 1.241 0.086) 1.571 6.143 ( -0.011 -14.316 0.083) 14.316 6.390 ( 0.000 -14.831 0.099) 14.831 6.856 ( 3.121 -12.446 0.732) 12.852 7.562 ( 0.052 -3.276 0.237) 3.285 14.775 ( 0.011 -122.937 0.014) 122.937 22.561 (-138.253 -59.596 -38.375) 155.365 ======================= Grid point 2 (3/322) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 1.752 -12.814 0.621) 12.948 0.646 ( 1.074 -12.356 0.896) 12.435 1.795 ( -0.159 -8.465 0.062) 8.467 1.814 ( 0.330 -8.532 0.078) 8.539 1.824 ( 0.596 -11.983 0.157) 11.999 1.986 ( 0.129 -2.474 0.055) 2.478 2.373 ( -0.729 -2.691 0.892) 2.928 3.117 ( 0.208 -3.779 -0.020) 3.785 3.297 ( -0.114 -6.310 0.201) 6.314 3.531 ( 0.079 0.772 -1.007) 1.272 3.968 ( -0.737 -10.217 2.998) 10.673 3.984 ( -0.301 -4.081 0.423) 4.114 3.999 ( 0.667 -0.505 -3.413) 3.514 4.261 ( 0.061 -64.989 -0.113) 64.989 4.342 ( -2.958 -66.895 -0.492) 66.962 4.596 ( -0.075 -14.360 -0.038) 14.360 5.278 ( -0.141 2.626 0.756) 2.736 5.990 ( 1.179 2.569 0.169) 2.831 6.557 ( 0.000 -25.998 0.012) 25.998 6.779 ( 0.000 -22.593 0.091) 22.593 7.192 ( 1.880 -18.343 0.382) 18.443 7.654 ( 0.030 -5.706 0.254) 5.712 17.763 ( 0.019 -163.979 -0.121) 163.979 23.222 ( -59.616 -58.470 -15.737) 84.973 ======================= Grid point 3 (4/322) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.726 -13.482 0.571) 13.514 0.862 ( 0.953 -8.934 0.879) 9.027 1.882 ( -0.073 -5.886 -0.096) 5.888 1.997 ( 0.337 -9.463 0.153) 9.471 2.050 ( 0.605 -3.922 0.172) 3.972 2.122 ( 0.831 -12.766 0.270) 12.796 2.421 ( -0.886 -2.398 1.081) 2.776 3.191 ( 0.339 -3.432 0.055) 3.449 3.381 ( -0.187 -2.632 0.377) 2.665 3.513 ( 0.130 0.793 -1.313) 1.540 3.955 ( -2.343 1.537 5.294) 5.990 3.971 ( 1.738 0.665 -5.776) 6.069 4.130 ( 0.228 -5.236 0.427) 5.258 4.817 ( -0.074 -7.558 0.044) 7.559 5.219 ( -0.113 2.824 0.780) 2.932 5.603 ( -0.085 -62.705 0.184) 62.706 5.647 ( -0.985 -60.916 -0.128) 60.924 5.939 ( 1.450 2.942 0.282) 3.292 7.088 ( 0.032 -24.941 0.005) 24.941 7.222 ( 0.033 -20.695 0.012) 20.695 7.545 ( 0.797 -15.265 0.079) 15.286 7.782 ( -0.015 -7.056 0.080) 7.056 20.897 ( 0.028 -144.364 -0.350) 144.365 24.204 ( -24.669 -60.657 -4.947) 65.667 ======================= Grid point 4 (5/322) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.678 -6.591 0.526) 6.647 1.045 ( 0.198 -12.551 0.761) 12.575 2.026 ( -0.034 -8.136 -0.097) 8.136 2.115 ( 1.297 -3.225 0.356) 3.494 2.202 ( 0.155 -9.301 -0.126) 9.303 2.349 ( 0.554 -9.651 0.219) 9.669 2.462 ( -0.845 -1.989 1.131) 2.439 3.253 ( 0.401 -2.526 0.081) 2.559 3.417 ( -0.272 -1.328 0.707) 1.529 3.498 ( 0.216 0.618 -1.552) 1.684 3.917 ( -0.920 1.610 1.391) 2.318 3.972 ( 0.579 -0.370 -1.852) 1.975 4.203 ( 0.220 -2.049 0.387) 2.097 4.906 ( -0.074 -1.983 0.081) 1.986 5.165 ( -0.030 2.454 0.588) 2.524 5.884 ( 1.339 2.802 0.346) 3.125 6.683 ( -0.088 -44.391 0.267) 44.392 6.710 ( 1.584 -44.032 0.818) 44.068 7.484 ( 0.067 -14.090 0.014) 14.090 7.581 ( 0.060 -15.827 -0.097) 15.827 7.780 ( -0.072 -8.109 -0.128) 8.110 7.937 ( 0.120 -8.738 -0.029) 8.739 23.348 ( 0.034 -100.351 -0.511) 100.353 25.293 ( -4.936 -54.073 1.172) 54.311 ======================= Grid point 5 (6/322) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.450 -4.146 0.405) 4.190 1.274 ( -0.119 -9.736 0.521) 9.750 2.171 ( 1.145 -2.221 0.184) 2.505 2.183 ( 0.161 -6.457 0.034) 6.459 2.364 ( 0.110 -6.598 -0.393) 6.610 2.496 ( -0.602 -1.562 1.056) 1.979 2.510 ( 0.233 -6.244 0.151) 6.250 3.295 ( 0.338 -1.460 0.060) 1.500 3.438 ( -0.329 -0.795 1.027) 1.340 3.487 ( 0.292 0.385 -1.592) 1.664 3.889 ( -0.397 1.020 0.539) 1.220 3.982 ( 0.270 -0.526 -0.827) 1.016 4.224 ( 0.168 -0.147 0.236) 0.325 4.916 ( -0.063 0.470 0.073) 0.479 5.126 ( 0.007 1.479 0.333) 1.516 5.843 ( 1.049 1.870 0.313) 2.167 7.299 ( 0.009 -16.917 0.051) 16.917 7.372 ( 1.982 -20.882 0.955) 20.997 7.657 ( 0.075 -4.113 0.003) 4.114 7.876 ( -0.416 -2.284 -0.166) 2.328 7.912 ( 0.010 -18.141 -0.120) 18.142 8.151 ( 0.915 -12.503 0.385) 12.542 24.882 ( 0.029 -54.797 -0.454) 54.799 26.221 ( 2.753 -37.418 2.929) 37.634 ======================= Grid point 6 (7/322) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.152 -1.492 0.138) 1.507 1.413 ( -0.101 -3.816 0.207) 3.823 2.197 ( 0.572 -0.432 0.103) 0.724 2.281 ( 0.015 -2.687 -0.021) 2.688 2.452 ( 0.020 -2.161 -0.349) 2.189 2.520 ( -0.211 -0.832 0.591) 1.042 2.596 ( 0.058 -2.188 0.042) 2.189 3.315 ( 0.135 -0.460 0.021) 0.480 3.448 ( -0.187 -0.294 0.637) 0.726 3.482 ( 0.174 0.138 -0.832) 0.861 3.875 ( -0.110 0.346 0.149) 0.393 3.990 ( 0.085 -0.236 -0.244) 0.350 4.222 ( 0.063 0.178 0.077) 0.204 4.904 ( -0.026 0.460 0.030) 0.462 5.107 ( 0.008 0.473 0.103) 0.484 5.822 ( 0.402 0.644 0.128) 0.770 7.461 ( 0.022 -2.593 -0.017) 2.593 7.611 ( 0.593 -4.616 0.242) 4.661 7.690 ( 0.039 -0.253 0.007) 0.257 7.891 ( -0.224 -0.093 -0.078) 0.254 8.210 ( -0.002 -8.825 -0.050) 8.825 8.374 ( 0.820 -6.838 0.414) 6.900 25.581 ( 0.011 -16.815 -0.178) 16.816 26.752 ( 1.935 -13.368 1.379) 13.577 ======================= Grid point 14 (8/322) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.092 ( 8.108 0.000 3.876) 8.987 0.096 ( 9.458 0.000 0.747) 9.488 0.139 ( 12.107 0.000 6.659) 13.817 1.635 ( 0.208 0.000 0.203) 0.290 1.789 ( -0.001 -0.000 -0.252) 0.252 1.938 ( -0.932 -0.000 -0.084) 0.936 1.998 ( -0.057 -0.000 0.210) 0.218 2.132 ( 0.907 0.000 0.313) 0.959 2.288 ( -0.806 -0.000 1.082) 1.349 2.983 ( -0.055 -0.000 0.057) 0.080 3.028 ( 0.129 0.000 -0.246) 0.277 3.552 ( -0.093 -0.000 -0.689) 0.695 3.827 ( 0.047 0.000 1.145) 1.146 4.042 ( -0.781 -0.000 2.195) 2.330 4.065 ( 0.216 0.000 -1.959) 1.971 4.182 ( -0.144 -0.000 -0.134) 0.197 5.336 ( -0.188 -0.000 1.058) 1.075 6.001 ( -0.017 -0.000 -0.115) 0.117 6.077 ( 0.369 0.000 -0.630) 0.730 6.236 ( -0.249 -0.000 1.161) 1.187 7.101 ( 0.391 0.000 -1.314) 1.371 7.530 ( 0.180 0.000 0.613) 0.639 13.383 ( 0.238 0.000 0.157) 0.285 13.445 ( 0.016 0.000 0.136) 0.137 ======================= Grid point 15 (9/322) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 6.955 -9.039 0.936) 11.443 0.379 ( 2.946 -15.076 2.844) 15.622 1.237 ( 0.821 -44.530 0.324) 44.539 1.684 ( 0.283 -4.625 0.262) 4.641 1.800 ( -0.127 0.457 -0.209) 0.519 1.947 ( -0.646 -1.317 -0.057) 1.468 2.317 ( -1.156 -2.543 1.448) 3.147 2.778 ( -0.048 -65.332 0.138) 65.332 3.008 ( -6.038 -38.368 -1.280) 38.861 3.067 ( -2.127 -17.441 -1.276) 17.616 3.122 ( -0.102 -10.452 -0.051) 10.453 3.543 ( 0.147 0.505 -1.548) 1.635 3.888 ( -0.244 -5.765 2.646) 6.348 4.012 ( -0.779 2.116 1.773) 2.868 4.044 ( -0.149 1.235 -3.602) 3.811 4.307 ( -0.175 -12.134 -0.186) 12.137 5.321 ( -0.309 1.516 1.356) 2.057 6.039 ( 1.916 1.621 0.051) 2.510 6.143 ( -0.040 -14.264 0.239) 14.266 6.390 ( -0.001 -14.813 0.217) 14.815 6.913 ( 7.234 -8.566 1.663) 11.334 7.564 ( 0.135 -3.219 0.658) 3.289 14.775 ( 0.030 -122.918 0.039) 122.918 20.404 (-225.802 -211.227 -62.442) 315.441 ======================= Grid point 16 (10/322) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 3.016 -11.430 0.918) 11.857 0.664 ( 1.894 -11.877 1.680) 12.144 1.793 ( -0.240 -6.740 0.054) 6.745 1.818 ( 0.448 -8.269 0.224) 8.284 1.833 ( 1.187 -13.989 0.255) 14.041 1.988 ( 0.235 -2.858 0.096) 2.869 2.366 ( -1.333 -2.735 1.566) 3.422 3.120 ( 0.445 -3.810 0.000) 3.836 3.297 ( -0.201 -6.303 0.386) 6.318 3.528 ( 0.083 0.732 -1.823) 1.966 3.968 ( -1.752 -6.358 5.988) 8.908 3.982 ( -0.239 -7.247 0.309) 7.258 3.995 ( 1.390 -1.099 -6.284) 6.529 4.261 ( 0.131 -64.751 -0.510) 64.753 4.302 ( -4.614 -68.799 -0.337) 68.955 4.595 ( -0.142 -14.404 -0.083) 14.404 5.279 ( -0.204 2.595 1.350) 2.932 6.006 ( 1.865 2.664 0.248) 3.261 6.557 ( -0.003 -26.008 0.021) 26.008 6.779 ( -0.001 -22.591 0.147) 22.591 7.219 ( 3.220 -16.977 0.646) 17.292 7.655 ( 0.037 -5.622 0.447) 5.640 17.763 ( 0.034 -163.950 -0.215) 163.951 22.408 ( -88.690 -102.729 -23.108) 137.671 ======================= Grid point 17 (11/322) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 1.042 -12.845 0.728) 12.907 0.877 ( 1.353 -8.627 1.289) 8.827 1.881 ( -0.122 -5.932 -0.132) 5.935 2.001 ( 0.446 -9.635 0.214) 9.648 2.058 ( 1.009 -3.981 0.253) 4.114 2.133 ( 1.099 -12.515 0.377) 12.569 2.414 ( -1.289 -2.489 1.506) 3.182 3.196 ( 0.545 -3.426 0.113) 3.471 3.380 ( -0.272 -2.637 0.595) 2.717 3.510 ( 0.126 0.741 -1.931) 2.072 3.946 ( -2.188 1.497 4.488) 5.212 3.972 ( 1.416 0.494 -5.164) 5.377 4.135 ( 0.327 -5.185 0.628) 5.233 4.816 ( -0.120 -7.583 0.043) 7.584 5.221 ( -0.124 2.773 1.114) 2.991 5.603 ( -0.132 -62.713 0.302) 62.714 5.637 ( -1.000 -62.430 -0.122) 62.438 5.957 ( 1.847 2.937 0.354) 3.488 7.089 ( 0.045 -24.961 0.007) 24.961 7.223 ( 0.047 -20.697 0.012) 20.697 7.554 ( 1.109 -14.459 0.107) 14.502 7.782 ( -0.032 -7.018 0.111) 7.019 20.896 ( 0.040 -144.344 -0.493) 144.344 23.904 ( -31.729 -80.482 -6.090) 86.725 ======================= Grid point 18 (12/322) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.759 -6.771 0.522) 6.834 1.051 ( 0.327 -11.843 1.013) 11.890 2.025 ( -0.091 -8.163 -0.120) 8.164 2.131 ( 1.701 -3.255 0.452) 3.700 2.203 ( 0.260 -9.236 -0.134) 9.241 2.355 ( 0.540 -9.412 0.266) 9.431 2.456 ( -1.056 -2.124 1.324) 2.716 3.258 ( 0.531 -2.472 0.124) 2.531 3.416 ( -0.345 -1.345 0.951) 1.683 3.496 ( 0.227 0.552 -1.983) 2.071 3.912 ( -0.979 1.409 1.487) 2.271 3.972 ( 0.615 -0.359 -2.033) 2.155 4.207 ( 0.268 -1.985 0.471) 2.057 4.906 ( -0.105 -1.997 0.084) 2.002 5.167 ( -0.017 2.482 0.719) 2.584 5.900 ( 1.600 2.978 0.414) 3.406 6.683 ( -0.049 -44.409 0.139) 44.409 6.730 ( 1.912 -44.985 1.172) 45.041 7.484 ( 0.085 -14.098 0.016) 14.098 7.581 ( 0.070 -15.808 -0.119) 15.809 7.779 ( -0.094 -7.745 -0.156) 7.747 7.938 ( 0.147 -8.964 -0.030) 8.965 23.347 ( 0.042 -100.352 -0.612) 100.354 25.245 ( -5.371 -62.102 1.580) 62.353 ======================= Grid point 19 (13/322) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.486 -3.936 0.422) 3.988 1.274 ( -0.111 -9.624 0.554) 9.640 2.179 ( 0.263 -5.764 -0.135) 5.772 2.189 ( 1.183 -2.641 0.365) 2.917 2.365 ( 0.289 -6.521 -0.339) 6.536 2.492 ( -0.803 -1.746 1.234) 2.284 2.512 ( 0.181 -6.099 -0.025) 6.102 3.299 ( 0.381 -1.355 0.076) 1.409 3.437 ( -0.367 -0.814 1.187) 1.485 3.486 ( 0.304 0.321 -1.793) 1.847 3.887 ( -0.393 0.902 0.553) 1.129 3.982 ( 0.281 -0.516 -0.854) 1.037 4.226 ( 0.179 -0.070 0.251) 0.316 4.916 ( -0.076 0.454 0.072) 0.466 5.127 ( 0.010 1.516 0.356) 1.557 5.855 ( 1.104 2.188 0.330) 2.473 7.299 ( 0.026 -16.927 0.013) 16.927 7.394 ( 2.023 -20.132 1.004) 20.258 7.658 ( 0.091 -4.101 0.006) 4.102 7.871 ( -0.454 -2.256 -0.177) 2.308 7.912 ( 0.014 -18.152 -0.129) 18.153 8.162 ( 1.032 -13.020 0.449) 13.069 24.881 ( 0.032 -54.820 -0.476) 54.822 26.258 ( 3.012 -38.530 3.127) 38.774 ======================= Grid point 20 (14/322) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.154 -1.302 0.127) 1.317 1.413 ( -0.095 -3.840 0.198) 3.846 2.204 ( 0.699 0.163 0.092) 0.723 2.280 ( -0.144 -2.713 -0.033) 2.717 2.454 ( 0.380 -2.143 -0.153) 2.182 2.518 ( -0.455 -0.944 0.465) 1.147 2.596 ( -0.039 -2.144 -0.022) 2.144 3.316 ( 0.129 -0.323 0.021) 0.348 3.448 ( -0.182 -0.306 0.625) 0.719 3.481 ( 0.167 0.080 -0.810) 0.831 3.874 ( -0.094 0.278 0.138) 0.324 3.990 ( 0.081 -0.219 -0.226) 0.325 4.223 ( 0.059 0.260 0.072) 0.276 4.904 ( -0.026 0.441 0.027) 0.443 5.108 ( -0.000 0.507 0.095) 0.516 5.826 ( 0.372 1.060 0.119) 1.130 7.461 ( 0.021 -2.577 -0.018) 2.577 7.617 ( 0.539 -3.933 0.215) 3.975 7.691 ( 0.047 -0.216 0.013) 0.222 7.889 ( -0.209 -0.313 -0.072) 0.383 8.210 ( -0.001 -8.838 -0.047) 8.838 8.383 ( 0.785 -6.080 0.397) 6.144 25.581 ( 0.010 -16.851 -0.166) 16.852 26.775 ( 1.836 -11.343 1.301) 11.564 ======================= Grid point 21 (15/322) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.118 1.673 -0.117) 1.681 1.414 ( 0.083 3.789 -0.168) 3.793 2.193 ( -0.349 0.991 -0.086) 1.055 2.280 ( -0.137 2.644 0.004) 2.648 2.455 ( 0.272 2.278 0.470) 2.342 2.519 ( -0.031 0.647 -0.601) 0.884 2.595 ( -0.122 2.233 -0.086) 2.238 3.314 ( -0.111 0.584 -0.017) 0.595 3.449 ( 0.150 0.280 -0.509) 0.600 3.482 ( -0.142 -0.184 0.669) 0.708 3.875 ( 0.099 -0.413 -0.125) 0.443 3.990 ( -0.070 0.252 0.205) 0.332 4.221 ( -0.053 -0.101 -0.064) 0.131 4.904 ( 0.021 -0.475 -0.025) 0.476 5.107 ( -0.013 -0.443 -0.088) 0.452 5.818 ( -0.339 -0.252 -0.107) 0.436 7.461 ( -0.017 2.606 0.013) 2.606 7.605 ( -0.507 5.299 -0.210) 5.327 7.690 ( -0.025 0.282 -0.001) 0.283 7.894 ( 0.187 -0.111 0.065) 0.227 8.210 ( 0.002 8.812 0.041) 8.812 8.366 ( -0.669 7.525 -0.337) 7.562 25.581 ( -0.009 16.781 0.148) 16.782 26.731 ( -1.593 15.268 -1.141) 15.393 ======================= Grid point 22 (16/322) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -0.315 4.323 -0.292) 4.345 1.274 ( 0.093 9.822 -0.369) 9.830 2.160 ( -0.812 2.060 -0.171) 2.221 2.182 ( -0.087 6.819 0.016) 6.820 2.365 ( 0.011 6.724 0.328) 6.732 2.498 ( 0.285 1.491 -0.584) 1.626 2.508 ( -0.139 6.248 -0.318) 6.257 3.292 ( -0.229 1.536 -0.037) 1.554 3.438 ( 0.225 0.778 -0.683) 1.059 3.488 ( -0.210 -0.425 1.081) 1.180 3.891 ( 0.298 -1.129 -0.395) 1.232 3.981 ( -0.196 0.537 0.601) 0.829 4.222 ( -0.119 0.210 -0.167) 0.293 4.917 ( 0.039 -0.478 -0.055) 0.482 5.125 ( -0.003 -1.456 -0.235) 1.475 5.833 ( -0.749 -1.604 -0.222) 1.784 7.299 ( 0.012 16.905 -0.078) 16.906 7.352 ( -1.456 21.484 -0.662) 21.544 7.656 ( -0.048 4.127 -0.002) 4.127 7.880 ( 0.289 2.331 0.116) 2.352 7.912 ( -0.005 18.112 0.085) 18.112 8.142 ( -0.617 12.084 -0.251) 12.102 24.883 ( -0.020 54.777 0.326) 54.778 26.191 ( -1.903 36.424 -2.067) 36.532 ======================= Grid point 23 (17/322) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.395 6.630 -0.332) 6.650 1.043 ( -0.089 12.885 -0.400) 12.892 2.026 ( 0.002 8.109 0.053) 8.109 2.104 ( -0.689 3.207 -0.194) 3.286 2.201 ( -0.064 9.362 0.078) 9.363 2.344 ( -0.352 9.812 -0.125) 9.820 2.466 ( 0.465 1.892 -0.651) 2.054 3.250 ( -0.212 2.555 -0.037) 2.564 3.418 ( 0.149 1.316 -0.371) 1.375 3.500 ( -0.133 -0.655 0.844) 1.076 3.922 ( 0.577 -1.788 -0.877) 2.073 3.971 ( -0.368 0.401 1.141) 1.264 4.201 ( -0.123 2.094 -0.217) 2.108 4.907 ( 0.036 1.975 -0.051) 1.976 5.164 ( 0.023 -2.439 -0.329) 2.461 5.873 ( -0.761 -2.679 -0.196) 2.792 6.683 ( 0.125 44.372 -0.368) 44.374 6.696 ( -0.949 43.322 -0.243) 43.333 7.483 ( -0.037 14.085 -0.009) 14.085 7.581 ( -0.035 15.840 0.054) 15.840 7.781 ( 0.038 8.366 0.072) 8.367 7.936 ( -0.068 8.589 0.018) 8.590 23.349 ( -0.019 100.352 0.290) 100.352 25.331 ( 2.987 48.050 -0.604) 48.146 ======================= Grid point 24 (18/322) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.260 13.847 -0.219) 13.851 0.854 ( -0.342 9.107 -0.308) 9.118 1.883 ( 0.023 5.855 0.035) 5.855 1.994 ( -0.127 9.328 -0.055) 9.329 2.045 ( -0.194 3.924 -0.060) 3.929 2.116 ( -0.311 12.914 -0.098) 12.918 2.425 ( 0.314 2.350 -0.393) 2.403 3.189 ( -0.113 3.428 -0.015) 3.430 3.381 ( 0.067 2.629 -0.128) 2.632 3.515 ( -0.055 -0.818 0.464) 0.942 3.963 ( 2.116 -1.682 -5.412) 6.050 3.969 ( -1.886 -0.647 5.586) 5.932 4.128 ( -0.081 5.262 -0.150) 5.265 4.817 ( 0.024 7.545 -0.018) 7.545 5.219 ( 0.046 -2.860 -0.279) 2.874 5.603 ( 0.029 62.707 -0.061) 62.707 5.655 ( 0.425 60.116 0.058) 60.117 5.928 ( -0.563 -3.046 -0.111) 3.099 7.088 ( -0.012 24.930 -0.002) 24.930 7.222 ( -0.012 20.694 -0.005) 20.694 7.539 ( -0.290 15.726 -0.029) 15.729 7.782 ( 0.004 7.078 -0.029) 7.078 20.898 ( -0.010 144.376 0.126) 144.376 24.386 ( 9.378 48.240 1.923) 49.181 ======================= Grid point 25 (19/322) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -0.000 13.354 -0.000) 13.354 0.639 ( -0.000 12.531 -0.000) 12.531 1.796 ( -0.000 9.649 -0.000) 9.649 1.812 ( -0.000 8.230 -0.000) 8.230 1.820 ( -0.000 11.090 -0.000) 11.090 1.985 ( -0.000 2.338 -0.000) 2.338 2.376 ( -0.000 2.677 -0.000) 2.677 3.116 ( -0.000 3.764 -0.000) 3.764 3.298 ( -0.000 6.312 -0.000) 6.312 3.532 ( 0.000 -0.786 0.000) 0.786 3.967 ( -0.000 11.166 -0.000) 11.166 3.984 ( -0.000 3.206 -0.000) 3.206 4.000 ( -0.000 0.479 -0.000) 0.479 4.261 ( -0.000 65.095 -0.000) 65.095 4.358 ( -0.000 66.094 -0.000) 66.094 4.596 ( -0.000 14.345 -0.000) 14.345 5.278 ( 0.000 -2.643 0.000) 2.643 5.984 ( 0.000 -2.507 0.000) 2.507 6.557 ( -0.000 25.995 -0.000) 25.995 6.778 ( -0.000 22.595 -0.000) 22.595 7.182 ( -0.000 18.868 -0.000) 18.868 7.653 ( -0.000 5.738 -0.000) 5.738 17.763 ( -0.000 163.990 -0.000) 163.990 23.553 ( -0.000 38.222 -0.000) 38.222 ======================= Grid point 28 (20/322) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 7.433 0.000 3.541) 8.234 0.189 ( 8.870 0.000 0.955) 8.921 0.272 ( 11.187 0.000 6.076) 12.730 1.639 ( 0.373 0.000 0.368) 0.524 1.788 ( -0.004 -0.000 -0.456) 0.456 1.926 ( -1.482 -0.000 -0.109) 1.486 1.998 ( -0.100 -0.000 0.371) 0.384 2.145 ( 1.428 0.000 0.514) 1.518 2.281 ( -1.491 -0.000 1.901) 2.416 2.982 ( -0.118 -0.000 0.092) 0.150 3.030 ( 0.388 0.000 -0.346) 0.520 3.548 ( -0.045 -0.000 -1.964) 1.965 3.832 ( -0.032 -0.000 2.525) 2.525 4.040 ( -1.149 -0.000 3.179) 3.380 4.061 ( 0.568 0.000 -4.105) 4.144 4.180 ( -0.267 -0.000 -0.258) 0.372 5.338 ( -0.307 -0.000 1.882) 1.907 6.001 ( -0.010 -0.000 -0.193) 0.193 6.079 ( 0.360 0.000 -0.125) 0.381 6.237 ( -0.051 -0.000 0.463) 0.466 7.101 ( 0.273 0.000 -0.865) 0.907 7.535 ( 0.302 0.000 1.081) 1.122 13.387 ( 0.423 0.000 0.274) 0.504 13.445 ( 0.027 0.000 0.245) 0.246 ======================= Grid point 29 (21/322) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 8.020 -6.849 -1.066) 10.600 0.424 ( 3.933 -12.575 5.644) 14.334 1.248 ( 1.230 -44.243 0.475) 44.263 1.688 ( 0.413 -4.600 0.389) 4.634 1.798 ( -0.147 0.271 -0.318) 0.443 1.939 ( -0.906 -1.836 -0.072) 2.048 2.307 ( -1.707 -2.554 2.022) 3.678 2.778 ( -0.065 -65.313 0.197) 65.313 2.930 ( -7.532 -54.628 -1.899) 55.178 3.059 ( 0.226 -5.390 -0.523) 5.420 3.121 ( -0.114 -10.271 0.176) 10.273 3.539 ( 0.025 0.485 -2.290) 2.341 3.894 ( -0.263 -5.707 3.490) 6.695 4.009 ( -1.457 2.132 3.773) 4.572 4.033 ( 0.687 1.561 -6.066) 6.301 4.304 ( -0.262 -12.186 -0.288) 12.192 5.322 ( -0.315 1.538 1.942) 2.497 6.058 ( 1.760 1.409 -0.169) 2.260 6.143 ( -0.087 -14.175 0.362) 14.179 6.391 ( -0.017 -14.799 0.211) 14.800 6.994 ( 7.668 -5.217 1.671) 9.424 7.568 ( 0.167 -3.106 0.931) 3.247 14.776 ( 0.042 -122.884 0.054) 122.884 18.313 (-161.667 -261.943 -44.276) 310.983 ======================= Grid point 30 (22/322) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 3.522 -9.711 0.836) 10.364 0.690 ( 2.272 -11.205 2.175) 11.638 1.791 ( -0.235 -5.627 0.042) 5.632 1.823 ( 0.428 -7.969 0.273) 7.985 1.848 ( 1.550 -15.394 0.344) 15.475 1.991 ( 0.294 -3.416 0.108) 3.431 2.356 ( -1.676 -2.806 1.868) 3.765 3.126 ( 0.666 -3.830 0.064) 3.888 3.296 ( -0.243 -6.290 0.526) 6.316 3.522 ( -0.001 0.675 -2.275) 2.373 3.965 ( -2.362 -1.659 6.794) 7.381 3.981 ( -0.040 -8.675 0.012) 8.675 3.993 ( 1.785 -4.335 -6.789) 8.250 4.251 ( -3.212 -70.020 -2.674) 70.144 4.265 ( -1.248 -65.304 1.982) 65.346 4.593 ( -0.189 -14.467 -0.126) 14.468 5.281 ( -0.189 2.580 1.644) 3.064 6.026 ( 1.951 2.658 0.233) 3.306 6.557 ( -0.009 -26.026 0.023) 26.026 6.779 ( -0.006 -22.596 0.158) 22.596 7.255 ( 3.706 -15.260 0.727) 15.720 7.657 ( 0.014 -5.511 0.535) 5.537 17.763 ( 0.040 -163.910 -0.261) 163.910 21.469 ( -85.296 -144.203 -21.747) 168.946 ======================= Grid point 31 (23/322) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.131 -12.092 0.695) 12.165 0.894 ( 1.446 -8.253 1.411) 8.497 1.879 ( -0.153 -5.971 -0.135) 5.974 2.006 ( 0.451 -9.749 0.223) 9.762 2.070 ( 1.252 -4.160 0.284) 4.353 2.145 ( 1.076 -12.204 0.396) 12.258 2.405 ( -1.419 -2.607 1.577) 3.361 3.202 ( 0.668 -3.398 0.167) 3.467 3.379 ( -0.301 -2.642 0.728) 2.757 3.506 ( 0.056 0.662 -2.168) 2.268 3.937 ( -1.802 1.428 3.514) 4.200 3.971 ( 1.089 0.334 -4.223) 4.374 4.140 ( 0.352 -5.118 0.695) 5.177 4.815 ( -0.146 -7.613 0.024) 7.615 5.223 ( -0.091 2.735 1.199) 2.988 5.602 ( -0.136 -62.753 0.373) 62.754 5.628 ( -0.683 -64.256 -0.080) 64.260 5.976 ( 1.787 3.065 0.337) 3.564 7.089 ( 0.048 -24.987 0.009) 24.987 7.223 ( 0.050 -20.699 0.008) 20.699 7.566 ( 1.163 -13.501 0.106) 13.552 7.782 ( -0.049 -6.980 0.116) 6.981 20.895 ( 0.043 -144.320 -0.523) 144.320 23.577 ( -30.148 -101.181 -5.439) 105.717 ======================= Grid point 32 (24/322) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.635 -7.319 0.394) 7.357 1.057 ( 0.419 -10.733 1.037) 10.791 2.024 ( -0.133 -8.177 -0.117) 8.178 2.149 ( 1.754 -3.295 0.450) 3.759 2.206 ( 0.322 -9.196 -0.112) 9.202 2.360 ( 0.357 -9.143 0.259) 9.154 2.449 ( -1.030 -2.263 1.200) 2.761 3.264 ( 0.551 -2.395 0.144) 2.462 3.416 ( -0.344 -1.362 1.018) 1.735 3.492 ( 0.178 0.463 -2.004) 2.065 3.907 ( -0.819 1.239 1.271) 1.955 3.973 ( 0.526 -0.372 -1.775) 1.888 4.211 ( 0.256 -1.913 0.448) 1.982 4.905 ( -0.116 -2.016 0.066) 2.020 5.169 ( 0.000 2.520 0.685) 2.612 5.916 ( 1.491 3.163 0.387) 3.518 6.682 ( -0.023 -44.422 0.057) 44.422 6.752 ( 1.832 -45.930 1.178) 45.981 7.485 ( 0.084 -14.109 0.014) 14.110 7.582 ( 0.063 -15.789 -0.113) 15.790 7.778 ( -0.097 -7.357 -0.149) 7.359 7.939 ( 0.143 -9.223 -0.022) 9.224 23.346 ( 0.042 -100.353 -0.571) 100.354 25.200 ( -4.499 -70.060 1.647) 70.224 ======================= Grid point 33 (25/322) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.410 -3.742 0.344) 3.780 1.275 ( -0.081 -9.511 0.459) 9.522 2.179 ( -0.072 -6.790 -0.146) 6.792 2.203 ( 1.330 -1.326 0.336) 1.908 2.368 ( 0.389 -6.530 -0.229) 6.545 2.487 ( -0.787 -1.875 1.071) 2.298 2.513 ( 0.064 -5.963 -0.118) 5.965 3.302 ( 0.333 -1.241 0.071) 1.287 3.437 ( -0.320 -0.828 1.078) 1.396 3.484 ( 0.248 0.243 -1.585) 1.622 3.885 ( -0.305 0.803 0.446) 0.967 3.983 ( 0.230 -0.508 -0.692) 0.889 4.228 ( 0.149 0.004 0.209) 0.256 4.915 ( -0.070 0.435 0.056) 0.444 5.128 ( 0.011 1.557 0.296) 1.585 5.866 ( 0.909 2.486 0.273) 2.661 7.299 ( 0.029 -16.938 -0.009) 16.938 7.415 ( 1.616 -19.401 0.811) 19.485 7.659 ( 0.087 -4.094 0.009) 4.095 7.867 ( -0.385 -2.248 -0.148) 2.285 7.912 ( 0.013 -18.149 -0.108) 18.149 8.173 ( 0.904 -13.518 0.404) 13.554 24.880 ( 0.027 -54.840 -0.390) 54.842 26.294 ( 2.565 -39.490 2.606) 39.659 ======================= Grid point 34 (26/322) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.115 -1.144 0.089) 1.153 1.413 ( -0.067 -3.856 0.142) 3.859 2.211 ( 0.600 0.665 0.058) 0.897 2.278 ( -0.199 -2.724 -0.024) 2.732 2.458 ( 0.540 -2.213 -0.015) 2.278 2.514 ( -0.536 -0.968 0.283) 1.142 2.595 ( -0.086 -2.115 -0.052) 2.117 3.318 ( 0.092 -0.204 0.015) 0.224 3.448 ( -0.133 -0.312 0.459) 0.571 3.480 ( 0.121 0.024 -0.591) 0.604 3.874 ( -0.061 0.223 0.097) 0.251 3.990 ( 0.058 -0.204 -0.158) 0.265 4.224 ( 0.042 0.329 0.050) 0.335 4.904 ( -0.019 0.424 0.019) 0.425 5.108 ( -0.005 0.539 0.066) 0.543 5.830 ( 0.260 1.406 0.083) 1.432 7.461 ( 0.016 -2.562 -0.014) 2.562 7.622 ( 0.370 -3.400 0.145) 3.423 7.691 ( 0.040 -0.178 0.013) 0.183 7.887 ( -0.147 -0.500 -0.050) 0.524 8.210 ( -0.001 -8.849 -0.034) 8.849 8.391 ( 0.565 -5.429 0.285) 5.466 25.580 ( 0.007 -16.880 -0.117) 16.881 26.793 ( 1.310 -9.658 0.925) 9.790 ======================= Grid point 35 (27/322) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -0.063 1.801 -0.067) 1.803 1.414 ( 0.047 3.766 -0.094) 3.768 2.190 ( -0.147 1.392 -0.049) 1.401 2.279 ( -0.125 2.601 -0.003) 2.604 2.459 ( 0.287 2.454 0.367) 2.498 2.517 ( -0.120 0.433 -0.414) 0.611 2.593 ( -0.098 2.266 -0.069) 2.269 3.313 ( -0.062 0.668 -0.009) 0.671 3.449 ( 0.083 0.269 -0.280) 0.397 3.482 ( -0.079 -0.212 0.370) 0.434 3.876 ( 0.059 -0.461 -0.071) 0.471 3.990 ( -0.039 0.263 0.117) 0.291 4.221 ( -0.030 -0.047 -0.037) 0.066 4.904 ( 0.011 -0.484 -0.014) 0.484 5.107 ( -0.010 -0.424 -0.050) 0.427 5.815 ( -0.194 0.026 -0.061) 0.205 7.461 ( -0.010 2.614 0.006) 2.614 7.600 ( -0.292 5.805 -0.123) 5.814 7.690 ( -0.011 0.300 0.001) 0.300 7.895 ( 0.106 -0.254 0.037) 0.278 8.210 ( 0.001 8.803 0.023) 8.803 8.360 ( -0.373 7.995 -0.188) 8.006 25.582 ( -0.005 16.756 0.084) 16.756 26.716 ( -0.895 16.611 -0.643) 16.648 ======================= Grid point 36 (28/322) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.113 4.425 -0.106) 4.428 1.274 ( 0.036 9.868 -0.133) 9.869 2.154 ( -0.281 2.154 -0.063) 2.173 2.181 ( -0.038 6.831 0.007) 6.831 2.366 ( 0.022 6.819 0.129) 6.821 2.498 ( 0.050 1.713 -0.138) 1.720 2.506 ( -0.019 5.972 -0.198) 5.975 3.290 ( -0.080 1.575 -0.012) 1.578 3.438 ( 0.079 0.767 -0.238) 0.807 3.489 ( -0.077 -0.443 0.381) 0.590 3.893 ( 0.111 -1.194 -0.145) 1.208 3.981 ( -0.072 0.545 0.220) 0.592 4.221 ( -0.043 0.245 -0.060) 0.256 4.917 ( 0.013 -0.480 -0.020) 0.481 5.125 ( -0.000 -1.445 -0.084) 1.448 5.828 ( -0.271 -1.453 -0.080) 1.481 7.299 ( 0.011 16.893 -0.043) 16.893 7.341 ( -0.539 21.821 -0.229) 21.829 7.656 ( -0.017 4.136 -0.001) 4.136 7.882 ( 0.103 2.371 0.042) 2.374 7.912 ( -0.001 18.083 0.030) 18.083 8.138 ( -0.216 11.853 -0.086) 11.855 24.883 ( -0.007 54.766 0.118) 54.766 26.174 ( -0.676 35.833 -0.744) 35.847 ======================= Grid point 37 (29/322) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.000 6.668 -0.000) 6.668 1.042 ( -0.000 12.981 -0.000) 12.981 2.026 ( -0.000 8.098 -0.000) 8.098 2.100 ( -0.000 3.201 -0.000) 3.201 2.201 ( -0.000 9.387 -0.000) 9.387 2.342 ( -0.000 9.870 -0.000) 9.870 2.468 ( -0.000 1.856 -0.000) 1.856 3.249 ( -0.000 2.563 -0.000) 2.563 3.418 ( -0.000 1.311 -0.000) 1.311 3.500 ( 0.000 -0.666 0.000) 0.666 3.924 ( 0.000 -1.863 0.000) 1.863 3.971 ( -0.000 0.421 -0.000) 0.421 4.200 ( -0.000 2.109 -0.000) 2.109 4.907 ( -0.000 1.972 -0.000) 1.972 5.164 ( 0.000 -2.435 0.000) 2.435 5.869 ( 0.000 -2.635 0.000) 2.635 6.683 ( -0.000 44.378 -0.000) 44.378 6.691 ( -0.000 43.044 -0.000) 43.044 7.483 ( -0.000 14.083 -0.000) 14.083 7.580 ( -0.000 15.845 -0.000) 15.845 7.782 ( -0.000 8.459 -0.000) 8.459 7.935 ( -0.000 8.537 -0.000) 8.537 23.350 ( -0.000 100.352 -0.000) 100.352 25.345 ( -0.000 45.806 -0.000) 45.806 ======================= Grid point 42 (30/322) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 6.332 0.000 3.002) 7.008 0.274 ( 7.788 0.000 1.129) 7.870 0.390 ( 9.637 0.000 5.135) 10.920 1.644 ( 0.459 0.000 0.460) 0.650 1.786 ( -0.009 -0.000 -0.569) 0.569 1.910 ( -1.599 -0.000 -0.084) 1.602 1.998 ( -0.120 -0.000 0.446) 0.462 2.161 ( 1.517 0.000 0.574) 1.622 2.270 ( -1.905 -0.000 2.268) 2.962 2.981 ( -0.175 -0.000 0.097) 0.200 3.035 ( 0.739 0.000 -0.260) 0.783 3.541 ( -0.146 -0.000 -2.583) 2.587 3.840 ( -0.022 -0.000 3.149) 3.149 4.037 ( -1.669 -0.000 4.971) 5.244 4.055 ( 1.114 0.000 -6.359) 6.456 4.176 ( -0.347 -0.000 -0.343) 0.488 5.341 ( -0.326 -0.000 2.287) 2.310 6.000 ( 0.019 0.000 -0.216) 0.217 6.083 ( 0.346 0.000 0.053) 0.350 6.238 ( -0.039 -0.000 0.185) 0.189 7.102 ( 0.218 0.000 -0.737) 0.768 7.541 ( 0.336 0.000 1.296) 1.338 13.392 ( 0.515 0.000 0.324) 0.609 13.446 ( 0.027 0.000 0.301) 0.302 ======================= Grid point 43 (31/322) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 6.569 -7.821 -2.577) 10.534 0.485 ( 4.723 -7.748 6.925) 11.414 1.263 ( 1.344 -43.942 0.513) 43.965 1.694 ( 0.458 -4.580 0.443) 4.624 1.795 ( -0.122 0.091 -0.372) 0.402 1.930 ( -0.952 -2.423 -0.064) 2.604 2.295 ( -1.910 -2.578 2.121) 3.847 2.778 ( -0.066 -65.298 0.211) 65.299 2.862 ( -5.182 -56.807 -1.287) 57.058 3.063 ( 0.643 -4.105 -0.276) 4.164 3.121 ( -0.073 -10.121 0.317) 10.127 3.531 ( -0.146 0.443 -2.540) 2.583 3.901 ( -0.189 -5.612 3.520) 6.627 4.004 ( -1.924 2.202 5.287) 6.042 4.025 ( 1.428 1.800 -7.515) 7.859 4.300 ( -0.300 -12.251 -0.337) 12.260 5.325 ( -0.247 1.568 2.087) 2.622 6.072 ( 1.340 0.859 -0.329) 1.626 6.143 ( -0.145 -14.107 0.416) 14.114 6.391 ( -0.048 -14.805 0.145) 14.806 7.066 ( 6.030 -4.291 1.191) 7.496 7.572 ( 0.151 -2.947 0.994) 3.113 14.776 ( 0.044 -122.843 0.057) 122.843 16.978 ( -94.673 -246.105 -25.484) 264.916 ======================= Grid point 44 (32/322) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 3.227 -8.120 0.555) 8.756 0.718 ( 2.129 -10.490 2.181) 10.924 1.789 ( -0.185 -4.950 0.036) 4.953 1.828 ( 0.359 -7.955 0.239) 7.967 1.864 ( 1.525 -16.036 0.363) 16.112 1.994 ( 0.288 -4.034 0.091) 4.045 2.344 ( -1.647 -2.894 1.740) 3.757 3.133 ( 0.758 -3.821 0.125) 3.898 3.295 ( -0.228 -6.271 0.571) 6.301 3.516 ( -0.111 0.613 -2.235) 2.320 3.960 ( -2.047 0.179 5.391) 5.769 3.980 ( 0.217 -5.044 -1.202) 5.190 3.994 ( 1.369 -9.912 -4.168) 10.840 4.211 ( -3.295 -72.805 -1.020) 72.886 4.264 ( -0.120 -63.787 0.644) 63.791 4.590 ( -0.196 -14.534 -0.143) 14.536 5.284 ( -0.133 2.587 1.561) 3.025 6.045 ( 1.609 2.535 0.169) 3.007 6.557 ( -0.015 -26.049 0.020) 26.049 6.780 ( -0.010 -22.612 0.132) 22.613 7.293 ( 3.323 -13.687 0.629) 14.099 7.658 ( -0.021 -5.401 0.500) 5.424 17.763 ( 0.038 -163.867 -0.248) 163.868 20.673 ( -64.361 -171.371 -15.957) 183.752 ======================= Grid point 45 (33/322) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.958 -11.401 0.529) 11.453 0.911 ( 1.204 -7.895 1.191) 8.074 1.877 ( -0.143 -5.992 -0.107) 5.994 2.011 ( 0.367 -9.798 0.180) 9.807 2.083 ( 1.172 -4.426 0.245) 4.586 2.155 ( 0.815 -11.879 0.325) 11.911 2.396 ( -1.216 -2.724 1.292) 3.251 3.209 ( 0.628 -3.350 0.176) 3.413 3.378 ( -0.260 -2.647 0.698) 2.749 3.500 ( -0.020 0.572 -1.911) 1.994 3.930 ( -1.261 1.359 2.435) 3.060 3.971 ( 0.752 0.216 -3.013) 3.113 4.145 ( 0.294 -5.052 0.595) 5.095 4.813 ( -0.136 -7.642 0.004) 7.643 5.225 ( -0.046 2.726 1.006) 2.906 5.602 ( -0.086 -62.788 0.337) 62.789 5.623 ( -0.351 -65.932 -0.029) 65.933 5.993 ( 1.385 3.228 0.257) 3.521 7.090 ( 0.039 -25.014 0.008) 25.014 7.224 ( 0.041 -20.700 0.003) 20.701 7.577 ( 0.955 -12.613 0.083) 12.649 7.782 ( -0.054 -6.951 0.095) 6.952 20.895 ( 0.037 -144.298 -0.433) 144.299 23.302 ( -22.501 -117.934 -3.786) 120.121 ======================= Grid point 46 (34/322) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.401 -7.936 0.245) 7.950 1.064 ( 0.364 -9.647 0.760) 9.684 2.022 ( -0.121 -8.176 -0.085) 8.178 2.166 ( 1.347 -3.337 0.335) 3.614 2.209 ( 0.276 -9.184 -0.075) 9.189 2.363 ( 0.145 -8.906 0.197) 8.909 2.443 ( -0.751 -2.376 0.817) 2.622 3.269 ( 0.423 -2.316 0.119) 2.357 3.415 ( -0.257 -1.375 0.813) 1.618 3.489 ( 0.103 0.373 -1.521) 1.570 3.903 ( -0.530 1.124 0.845) 1.503 3.973 ( 0.351 -0.392 -1.197) 1.307 4.214 ( 0.183 -1.852 0.320) 1.889 4.904 ( -0.091 -2.034 0.040) 2.036 5.170 ( 0.009 2.557 0.491) 2.604 5.930 ( 1.048 3.314 0.272) 3.486 6.682 ( -0.009 -44.432 0.017) 44.432 6.771 ( 1.322 -46.658 0.859) 46.684 7.486 ( 0.062 -14.121 0.010) 14.121 7.582 ( 0.044 -15.774 -0.081) 15.774 7.777 ( -0.075 -7.033 -0.108) 7.035 7.940 ( 0.105 -9.454 -0.012) 9.455 23.345 ( 0.030 -100.354 -0.402) 100.354 25.167 ( -2.874 -76.241 1.258) 76.306 ======================= Grid point 47 (35/322) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.234 -3.607 0.192) 3.620 1.275 ( -0.042 -9.427 0.259) 9.430 2.178 ( -0.081 -6.905 -0.086) 6.906 2.215 ( 0.822 -0.984 0.194) 1.297 2.371 ( 0.288 -6.593 -0.112) 6.600 2.483 ( -0.501 -1.923 0.623) 2.083 2.513 ( -0.007 -5.879 -0.102) 5.879 3.305 ( 0.196 -1.151 0.044) 1.169 3.437 ( -0.188 -0.834 0.655) 1.077 3.482 ( 0.139 0.175 -0.943) 0.969 3.883 ( -0.164 0.738 0.247) 0.796 3.983 ( 0.129 -0.504 -0.385) 0.647 4.230 ( 0.084 0.057 0.118) 0.156 4.915 ( -0.043 0.418 0.030) 0.421 5.129 ( 0.007 1.590 0.168) 1.599 5.874 ( 0.510 2.695 0.154) 2.747 7.299 ( 0.019 -16.945 -0.011) 16.945 7.429 ( 0.888 -18.869 0.446) 18.895 7.659 ( 0.055 -4.093 0.007) 4.093 7.863 ( -0.221 -2.250 -0.084) 2.262 7.912 ( 0.008 -18.142 -0.062) 18.142 8.181 ( 0.531 -13.875 0.241) 13.888 24.880 ( 0.015 -54.855 -0.219) 54.855 26.320 ( 1.475 -40.122 1.477) 40.176 ======================= Grid point 48 (36/322) ======================= q-point: ( 0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.043 -1.055 0.032) 1.056 1.412 ( -0.024 -3.864 0.052) 3.864 2.215 ( 0.241 0.958 0.018) 0.988 2.277 ( -0.093 -2.733 -0.007) 2.735 2.463 ( 0.278 -2.314 0.014) 2.331 2.510 ( -0.266 -0.924 0.092) 0.966 2.594 ( -0.043 -2.103 -0.026) 2.103 3.318 ( 0.034 -0.135 0.005) 0.139 3.448 ( -0.049 -0.313 0.169) 0.360 3.480 ( 0.044 -0.011 -0.217) 0.221 3.873 ( -0.021 0.193 0.035) 0.197 3.991 ( 0.021 -0.196 -0.057) 0.205 4.224 ( 0.015 0.367 0.018) 0.368 4.903 ( -0.007 0.413 0.007) 0.413 5.108 ( -0.003 0.557 0.024) 0.558 5.832 ( 0.093 1.601 0.030) 1.604 7.461 ( 0.006 -2.553 -0.005) 2.553 7.625 ( 0.131 -3.113 0.051) 3.116 7.692 ( 0.016 -0.152 0.006) 0.153 7.886 ( -0.053 -0.607 -0.018) 0.610 8.210 ( -0.000 -8.855 -0.012) 8.855 8.395 ( 0.205 -5.053 0.104) 5.058 25.580 ( 0.002 -16.897 -0.042) 16.897 26.804 ( 0.474 -8.704 0.334) 8.724 ======================= Grid point 49 (37/322) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 1.847 -0.000) 1.847 1.414 ( -0.000 3.758 -0.000) 3.758 2.189 ( -0.000 1.539 -0.000) 1.539 2.278 ( -0.000 2.584 -0.000) 2.584 2.461 ( -0.000 2.553 -0.000) 2.553 2.515 ( -0.000 0.322 -0.000) 0.322 2.593 ( -0.000 2.277 -0.000) 2.277 3.312 ( -0.000 0.698 -0.000) 0.698 3.449 ( -0.000 0.264 -0.000) 0.264 3.482 ( 0.000 -0.221 0.000) 0.221 3.876 ( 0.000 -0.479 0.000) 0.479 3.990 ( -0.000 0.267 -0.000) 0.267 4.221 ( 0.000 -0.027 0.000) 0.027 4.904 ( 0.000 -0.487 0.000) 0.487 5.107 ( 0.000 -0.418 0.000) 0.418 5.814 ( -0.000 0.126 -0.000) 0.126 7.461 ( -0.000 2.617 -0.000) 2.617 7.599 ( -0.000 5.992 -0.000) 5.992 7.690 ( -0.000 0.305 -0.000) 0.305 7.896 ( 0.000 -0.305 0.000) 0.305 8.210 ( -0.000 8.800 -0.000) 8.800 8.358 ( -0.000 8.161 -0.000) 8.161 25.582 ( -0.000 16.747 -0.000) 16.747 26.710 ( -0.000 17.095 -0.000) 17.095 ======================= Grid point 56 (38/322) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 4.847 0.000 2.286) 5.359 0.346 ( 6.145 0.000 1.115) 6.245 0.487 ( 7.467 0.000 3.890) 8.419 1.650 ( 0.442 0.000 0.452) 0.633 1.785 ( -0.013 -0.000 -0.559) 0.559 1.895 ( -1.382 -0.000 -0.045) 1.382 1.998 ( -0.112 -0.000 0.419) 0.433 2.177 ( 1.286 0.000 0.509) 1.383 2.257 ( -1.899 -0.000 2.110) 2.839 2.979 ( -0.196 -0.000 0.079) 0.211 3.043 ( 0.969 0.000 -0.076) 0.972 3.532 ( -0.268 -0.000 -2.551) 2.565 3.848 ( 0.026 0.000 3.005) 3.005 4.034 ( -2.045 -0.000 6.203) 6.531 4.049 ( 1.602 0.000 -7.593) 7.760 4.171 ( -0.355 -0.000 -0.352) 0.500 5.344 ( -0.260 -0.000 2.175) 2.191 6.000 ( 0.048 0.000 -0.188) 0.194 6.086 ( 0.280 0.000 0.105) 0.299 6.237 ( -0.080 -0.000 0.036) 0.088 7.102 ( 0.154 0.000 -0.611) 0.630 7.548 ( 0.288 0.000 1.212) 1.245 13.398 ( 0.491 0.000 0.298) 0.575 13.447 ( 0.019 0.000 0.291) 0.291 ======================= Grid point 57 (39/322) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 4.454 -8.534 -1.340) 9.720 0.547 ( 4.234 -4.242 4.702) 7.618 1.276 ( 1.108 -43.736 0.422) 43.752 1.699 ( 0.398 -4.574 0.396) 4.608 1.793 ( -0.080 -0.051 -0.342) 0.355 1.921 ( -0.779 -2.932 -0.042) 3.034 2.282 ( -1.658 -2.612 1.739) 3.550 2.778 ( -0.050 -65.290 0.177) 65.290 2.821 ( -2.875 -56.391 -0.662) 56.468 3.069 ( 0.645 -4.014 -0.132) 4.067 3.122 ( 0.025 -9.820 0.364) 9.827 3.523 ( -0.249 0.395 -2.191) 2.241 3.909 ( -0.083 -5.509 2.835) 6.197 4.000 ( -1.746 2.285 4.858) 5.645 4.020 ( 1.465 1.891 -6.615) 7.034 4.296 ( -0.268 -12.316 -0.302) 12.323 5.328 ( -0.158 1.592 1.747) 2.368 6.082 ( 0.932 0.444 -0.346) 1.089 6.143 ( -0.176 -14.136 0.376) 14.142 6.390 ( -0.067 -14.836 0.077) 14.836 7.117 ( 3.895 -4.834 0.671) 6.244 7.576 ( 0.106 -2.775 0.830) 2.899 14.777 ( 0.036 -122.804 0.047) 122.804 16.230 ( -50.461 -220.683 -13.278) 226.768 ======================= Grid point 58 (40/322) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 2.247 -6.945 0.275) 7.305 0.742 ( 1.504 -9.891 1.616) 10.134 1.788 ( -0.116 -4.543 0.026) 4.544 1.831 ( 0.243 -8.037 0.159) 8.042 1.878 ( 1.107 -16.289 0.278) 16.329 1.997 ( 0.214 -4.569 0.055) 4.574 2.334 ( -1.208 -2.976 1.224) 3.437 3.140 ( 0.616 -3.794 0.126) 3.845 3.294 ( -0.159 -6.249 0.462) 6.268 3.509 ( -0.150 0.558 -1.651) 1.750 3.955 ( -1.315 0.777 3.355) 3.686 3.979 ( 0.311 -2.521 -1.490) 2.945 3.996 ( 0.752 -13.235 -1.845) 13.384 4.183 ( -2.002 -73.937 -0.466) 73.966 4.265 ( -0.032 -63.315 0.334) 63.316 4.588 ( -0.150 -14.591 -0.115) 14.592 5.287 ( -0.073 2.607 1.115) 2.836 6.058 ( 1.034 2.375 0.097) 2.593 6.557 ( -0.014 -26.072 0.013) 26.072 6.780 ( -0.010 -22.634 0.085) 22.634 7.322 ( 2.263 -12.565 0.412) 12.774 7.659 ( -0.037 -5.316 0.353) 5.328 17.762 ( 0.027 -163.833 -0.177) 163.833 20.133 ( -38.401 -185.629 -9.260) 189.785 ======================= Grid point 59 (41/322) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.549 -10.921 0.283) 10.939 0.923 ( 0.682 -7.636 0.677) 7.697 1.876 ( -0.087 -5.997 -0.058) 5.998 2.014 ( 0.208 -9.815 0.100) 9.818 2.093 ( 0.717 -4.669 0.141) 4.726 2.162 ( 0.424 -11.616 0.183) 11.626 2.389 ( -0.703 -2.811 0.724) 2.987 3.215 ( 0.386 -3.305 0.115) 3.329 3.377 ( -0.151 -2.649 0.441) 2.690 3.496 ( -0.041 0.498 -1.134) 1.239 3.926 ( -0.643 1.314 1.253) 1.927 3.970 ( 0.388 0.146 -1.576) 1.630 4.148 ( 0.167 -5.003 0.343) 5.018 4.812 ( -0.082 -7.663 -0.004) 7.664 5.227 ( -0.015 2.734 0.572) 2.793 5.602 ( -0.029 -62.735 0.192) 62.735 5.621 ( -0.134 -67.156 0.003) 67.156 6.004 ( 0.751 3.344 0.138) 3.430 7.090 ( 0.022 -25.034 0.005) 25.034 7.224 ( 0.023 -20.701 0.001) 20.701 7.585 ( 0.537 -11.990 0.044) 12.002 7.782 ( -0.036 -6.937 0.053) 6.937 20.894 ( 0.022 -144.283 -0.244) 144.283 23.124 ( -11.787 -128.423 -1.870) 128.976 ======================= Grid point 60 (42/322) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.136 -8.276 0.085) 8.277 1.068 ( 0.144 -9.042 0.276) 9.047 2.021 ( -0.049 -8.172 -0.031) 8.172 2.176 ( 0.510 -3.367 0.125) 3.408 2.211 ( 0.110 -9.185 -0.027) 9.185 2.364 ( 0.026 -8.766 0.075) 8.766 2.439 ( -0.275 -2.438 0.286) 2.470 3.272 ( 0.160 -2.265 0.046) 2.271 3.415 ( -0.096 -1.382 0.316) 1.421 3.486 ( 0.032 0.314 -0.573) 0.655 3.901 ( -0.182 1.067 0.296) 1.122 3.973 ( 0.123 -0.406 -0.422) 0.598 4.216 ( 0.066 -1.818 0.116) 1.822 4.903 ( -0.035 -2.045 0.013) 2.045 5.171 ( 0.005 2.580 0.178) 2.586 5.938 ( 0.376 3.397 0.098) 3.420 6.682 ( -0.002 -44.437 0.003) 44.437 6.782 ( 0.482 -47.047 0.313) 47.050 7.487 ( 0.023 -14.129 0.003) 14.129 7.582 ( 0.015 -15.765 -0.029) 15.765 7.776 ( -0.028 -6.849 -0.039) 6.850 7.941 ( 0.039 -9.592 -0.003) 9.592 23.345 ( 0.011 -100.354 -0.144) 100.354 25.151 ( -0.974 -79.572 0.472) 79.579 ======================= Grid point 61 (43/322) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 -3.558 0.000) 3.558 1.275 ( 0.000 -9.396 0.000) 9.396 2.177 ( 0.000 -6.922 0.000) 6.922 2.219 ( 0.000 -0.879 0.000) 0.879 2.372 ( 0.000 -6.630 0.000) 6.630 2.481 ( 0.000 -1.929 0.000) 1.929 2.513 ( 0.000 -5.851 0.000) 5.851 3.306 ( 0.000 -1.117 0.000) 1.117 3.437 ( 0.000 -0.836 0.000) 0.836 3.482 ( -0.000 0.147 -0.000) 0.147 3.883 ( -0.000 0.716 -0.000) 0.716 3.983 ( 0.000 -0.503 0.000) 0.503 4.231 ( -0.000 0.076 -0.000) 0.076 4.915 ( -0.000 0.411 -0.000) 0.411 5.129 ( -0.000 1.603 -0.000) 1.603 5.876 ( -0.000 2.771 -0.000) 2.771 7.300 ( 0.000 -16.948 0.000) 16.948 7.434 ( 0.000 -18.675 0.000) 18.675 7.660 ( 0.000 -4.093 0.000) 4.093 7.862 ( 0.000 -2.252 0.000) 2.252 7.911 ( 0.000 -18.139 0.000) 18.139 8.184 ( 0.000 -14.005 0.000) 14.005 24.879 ( 0.000 -54.860 0.000) 54.860 26.329 ( 0.000 -40.340 0.000) 40.340 ======================= Grid point 71 (44/322) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 3.048 0.000 1.431) 3.367 0.399 ( 3.958 0.000 0.829) 4.044 0.556 ( 4.744 0.000 2.422) 5.326 1.655 ( 0.321 0.000 0.334) 0.463 1.783 ( -0.013 -0.000 -0.413) 0.413 1.884 ( -0.928 -0.000 -0.016) 0.928 1.998 ( -0.079 -0.000 0.296) 0.307 2.188 ( 0.849 0.000 0.347) 0.917 2.245 ( -1.407 -0.000 1.482) 2.043 2.978 ( -0.156 -0.000 0.048) 0.163 3.052 ( 0.853 0.000 0.054) 0.855 3.523 ( -0.280 -0.000 -1.872) 1.893 3.856 ( 0.057 0.000 2.154) 2.154 4.031 ( -1.644 -0.000 4.742) 5.019 4.045 ( 1.363 0.000 -5.760) 5.920 4.167 ( -0.272 -0.000 -0.265) 0.380 5.347 ( -0.155 -0.000 1.558) 1.566 6.000 ( 0.051 0.000 -0.124) 0.134 6.089 ( 0.178 0.000 0.087) 0.198 6.237 ( -0.091 -0.000 -0.024) 0.095 7.101 ( 0.088 0.000 -0.415) 0.424 7.553 ( 0.188 0.000 0.854) 0.874 13.403 ( 0.353 0.000 0.206) 0.409 13.448 ( 0.009 0.000 0.211) 0.211 ======================= Grid point 72 (45/322) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 2.313 -8.381 -0.469) 8.707 0.589 ( 2.403 -2.692 2.298) 4.278 1.286 ( 0.613 -43.646 0.234) 43.651 1.703 ( 0.233 -4.578 0.238) 4.590 1.792 ( -0.038 -0.141 -0.209) 0.255 1.915 ( -0.435 -3.268 -0.019) 3.297 2.273 ( -0.966 -2.643 0.975) 2.978 2.778 ( -0.021 -65.297 0.101) 65.297 2.800 ( -1.230 -55.660 -0.258) 55.674 3.074 ( 0.373 -4.251 -0.054) 4.268 3.123 ( 0.079 -9.410 0.258) 9.414 3.516 ( -0.194 0.356 -1.276) 1.338 3.914 ( -0.013 -5.440 1.585) 5.666 3.996 ( -1.005 2.328 2.765) 3.752 4.018 ( 0.875 1.927 -3.740) 4.298 4.294 ( -0.159 -12.366 -0.179) 12.368 5.331 ( -0.073 1.607 0.993) 1.891 6.089 ( 0.497 0.294 -0.222) 0.619 6.142 ( -0.129 -14.260 0.229) 14.263 6.390 ( -0.050 -14.871 0.029) 14.872 7.147 ( 1.870 -5.608 0.281) 5.918 7.579 ( 0.053 -2.643 0.471) 2.685 14.777 ( 0.020 -122.776 0.027) 122.776 15.859 ( -21.754 -203.516 -5.607) 204.752 ======================= Grid point 73 (46/322) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.804 -6.330 0.078) 6.381 0.755 ( 0.542 -9.550 0.595) 9.584 1.787 ( -0.039 -4.347 0.010) 4.347 1.833 ( 0.086 -8.099 0.056) 8.100 1.886 ( 0.403 -16.369 0.104) 16.374 1.998 ( 0.079 -4.883 0.017) 4.883 2.328 ( -0.444 -3.025 0.440) 3.089 3.145 ( 0.239 -3.771 0.053) 3.779 3.294 ( -0.056 -6.232 0.181) 6.235 3.505 ( -0.070 0.525 -0.612) 0.809 3.952 ( -0.448 0.971 1.136) 1.560 3.978 ( 0.136 -1.579 -0.619) 1.702 3.998 ( 0.237 -14.527 -0.508) 14.537 4.169 ( -0.657 -74.436 -0.132) 74.439 4.265 ( -0.007 -63.058 0.109) 63.059 4.587 ( -0.056 -14.623 -0.044) 14.623 5.288 ( -0.023 2.622 0.404) 2.653 6.065 ( 0.355 2.270 0.031) 2.298 6.557 ( -0.006 -26.086 0.005) 26.086 6.780 ( -0.004 -22.650 0.029) 22.650 7.338 ( 0.799 -12.000 0.142) 12.027 7.659 ( -0.018 -5.270 0.127) 5.271 17.762 ( 0.010 -163.813 -0.064) 163.813 19.866 ( -12.614 -191.394 -2.988) 191.832 ======================= Grid point 74 (47/322) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 -10.750 0.000) 10.750 0.928 ( 0.000 -7.543 0.000) 7.543 1.875 ( 0.000 -5.998 0.000) 5.998 2.015 ( 0.000 -9.820 0.000) 9.820 2.097 ( 0.000 -4.768 0.000) 4.768 2.165 ( 0.000 -11.513 0.000) 11.513 2.386 ( 0.000 -2.843 0.000) 2.843 3.217 ( 0.000 -3.285 0.000) 3.285 3.377 ( 0.000 -2.650 0.000) 2.650 3.494 ( -0.000 0.470 -0.000) 0.470 3.924 ( -0.000 1.299 -0.000) 1.299 3.970 ( -0.000 0.123 -0.000) 0.123 4.150 ( 0.000 -4.986 0.000) 4.986 4.812 ( 0.000 -7.671 0.000) 7.671 5.228 ( -0.000 2.740 -0.000) 2.740 5.602 ( 0.000 -62.680 0.000) 62.680 5.620 ( 0.000 -67.623 0.000) 67.623 6.008 ( -0.000 3.385 -0.000) 3.385 7.090 ( 0.000 -25.042 0.000) 25.042 7.224 ( 0.000 -20.702 0.000) 20.702 7.587 ( 0.000 -11.766 0.000) 11.766 7.782 ( 0.000 -6.933 0.000) 6.933 20.894 ( 0.000 -144.278 0.000) 144.278 23.064 ( 0.000 -131.952 0.000) 131.952 ======================= Grid point 86 (48/322) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 1.040 0.000 0.487) 1.149 0.427 ( 1.369 0.000 0.307) 1.403 0.592 ( 1.629 0.000 0.821) 1.824 1.658 ( 0.117 0.000 0.124) 0.170 1.782 ( -0.005 -0.000 -0.153) 0.153 1.877 ( -0.326 -0.000 -0.003) 0.327 1.998 ( -0.029 -0.000 0.107) 0.111 2.195 ( 0.296 0.000 0.123) 0.320 2.238 ( -0.520 -0.000 0.532) 0.744 2.977 ( -0.060 -0.000 0.016) 0.062 3.058 ( 0.343 0.000 0.043) 0.346 3.517 ( -0.122 -0.000 -0.689) 0.700 3.860 ( 0.030 0.000 0.783) 0.784 4.028 ( -0.592 -0.000 1.616) 1.721 4.044 ( 0.496 0.000 -1.990) 2.051 4.165 ( -0.103 -0.000 -0.098) 0.142 5.349 ( -0.050 -0.000 0.566) 0.568 6.000 ( 0.022 0.000 -0.043) 0.048 6.090 ( 0.061 0.000 0.033) 0.069 6.236 ( -0.041 -0.000 -0.017) 0.044 7.101 ( 0.028 0.000 -0.148) 0.150 7.556 ( 0.064 0.000 0.307) 0.314 13.406 ( 0.128 0.000 0.073) 0.148 13.449 ( 0.002 0.000 0.077) 0.077 ======================= Grid point 87 (49/322) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 -8.267 0.000) 8.267 0.605 ( 0.000 -2.230 0.000) 2.230 1.289 ( 0.000 -43.626 0.000) 43.626 1.705 ( 0.000 -4.582 0.000) 4.582 1.791 ( 0.000 -0.173 0.000) 0.173 1.913 ( 0.000 -3.384 0.000) 3.384 2.269 ( 0.000 -2.655 0.000) 2.655 2.778 ( 0.000 -65.330 0.000) 65.330 2.794 ( 0.000 -55.331 0.000) 55.331 3.076 ( 0.000 -4.403 0.000) 4.403 3.124 ( 0.000 -9.203 0.000) 9.203 3.513 ( -0.000 0.341 -0.000) 0.341 3.916 ( 0.000 -5.418 0.000) 5.418 3.995 ( -0.000 2.337 -0.000) 2.337 4.017 ( -0.000 1.942 -0.000) 1.942 4.293 ( 0.000 -12.384 0.000) 12.384 5.332 ( -0.000 1.613 -0.000) 1.613 6.091 ( -0.000 0.283 -0.000) 0.283 6.142 ( 0.000 -14.339 0.000) 14.339 6.390 ( 0.000 -14.887 0.000) 14.887 7.156 ( 0.000 -5.931 0.000) 5.931 7.579 ( 0.000 -2.593 0.000) 2.593 14.777 ( 0.000 -122.767 0.000) 122.767 15.748 ( 0.000 -197.736 0.000) 197.736 ======================= Grid point 175 (50/322) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -1.225 -0.000 13.806) 13.860 0.336 ( -2.523 -0.000 16.622) 16.813 0.709 ( -7.802 -0.000 34.674) 35.541 1.646 ( 0.047 0.000 1.069) 1.070 1.713 ( 1.496 0.000 -6.526) 6.695 1.943 ( -0.159 -0.000 -0.087) 0.181 2.033 ( -0.522 -0.000 2.637) 2.688 2.125 ( 0.681 0.000 -0.188) 0.706 2.200 ( 4.543 0.000 -9.335) 10.382 2.964 ( 1.398 0.000 -5.266) 5.448 3.068 ( -1.652 -0.000 6.949) 7.143 3.511 ( -1.083 -0.000 -2.194) 2.447 3.863 ( 2.650 0.000 -9.785) 10.137 4.175 ( -2.480 -0.000 4.713) 5.325 4.367 ( -4.910 -0.000 16.129) 16.859 4.518 ( -7.225 -0.000 -1.570) 7.394 5.354 ( 0.630 0.000 1.630) 1.747 5.964 ( 1.063 0.000 -3.969) 4.109 6.038 ( 0.413 0.000 0.786) 0.888 6.620 ( -7.948 -0.000 -3.631) 8.738 6.828 ( 6.100 0.000 2.881) 6.746 7.503 ( 1.822 0.000 -2.563) 3.144 13.355 ( 0.967 0.000 -2.476) 2.659 13.429 ( 0.656 0.000 -1.465) 1.606 ======================= Grid point 176 (51/322) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 0.636 -9.039 8.781) 12.618 0.779 ( -5.986 -7.729 29.156) 30.751 1.274 ( -0.502 -40.718 4.707) 40.992 1.689 ( 0.281 -4.075 0.592) 4.128 1.775 ( 0.337 -1.477 -2.445) 2.876 1.949 ( -0.265 -0.955 -0.292) 1.033 2.245 ( 3.826 -2.990 -8.486) 9.777 2.784 ( 0.002 -64.976 0.461) 64.977 2.841 ( 1.493 -58.406 -11.078) 59.466 2.990 ( 1.446 -3.352 -5.112) 6.282 3.171 ( -1.112 -7.853 4.742) 9.241 3.520 ( -1.351 -1.818 -0.905) 2.439 3.838 ( 2.888 1.508 -9.194) 9.754 4.108 ( -2.093 5.768 4.349) 7.521 4.260 ( -6.811 4.325 13.985) 16.146 4.469 ( -4.439 -10.018 14.546) 18.211 5.331 ( 0.973 2.084 0.869) 2.459 5.976 ( 2.161 0.641 -4.650) 5.167 6.162 ( -0.267 -13.939 1.649) 14.039 6.584 ( -6.383 -7.070 14.164) 17.069 6.819 ( 6.395 -11.189 -3.855) 13.452 7.540 ( 1.568 -3.148 -2.493) 4.311 14.784 ( -0.305 -125.540 0.835) 125.543 17.964 ( -5.108 -257.463 -200.497) 326.362 ======================= Grid point 177 (52/322) ======================= q-point: ( 0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.592 -11.776 5.159) 12.870 0.955 ( -5.032 -8.399 24.393) 26.285 1.797 ( -0.293 -5.459 0.145) 5.469 1.810 ( 0.899 -10.297 -0.199) 10.338 1.829 ( 0.596 -12.869 0.347) 12.887 1.983 ( 0.210 -2.571 -0.359) 2.605 2.314 ( 2.879 -3.133 -7.223) 8.383 3.060 ( 1.844 -4.069 -5.353) 6.972 3.286 ( -0.429 -3.373 0.267) 3.411 3.563 ( -1.839 -2.652 2.985) 4.396 3.816 ( 3.029 0.380 -9.522) 10.000 3.975 ( 0.518 -20.132 0.147) 20.139 4.080 ( -1.843 -12.308 3.012) 12.804 4.247 ( -0.380 -73.508 -0.572) 73.511 4.398 ( -3.572 -39.362 4.127) 39.739 4.703 ( -2.971 -11.597 10.045) 15.628 5.284 ( 0.935 3.126 -0.034) 3.263 5.948 ( 2.563 2.452 -4.391) 5.645 6.576 ( -0.505 -26.045 1.909) 26.120 6.875 ( -2.748 -19.595 8.527) 21.546 7.156 ( 3.308 -18.670 -3.795) 19.337 7.631 ( 1.114 -5.558 -2.506) 6.198 17.821 ( -2.110 -166.028 5.388) 166.128 21.432 ( -14.026 -138.451 -121.245) 184.569 ======================= Grid point 178 (53/322) ======================= q-point: ( 0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.162 -12.866 3.376) 13.302 1.116 ( -4.587 -6.939 21.201) 22.775 1.891 ( -0.484 -6.241 0.996) 6.338 1.990 ( 0.759 -9.542 -1.076) 9.633 2.048 ( 0.745 -3.601 -0.298) 3.689 2.120 ( 1.114 -12.348 -0.424) 12.406 2.376 ( 2.088 -2.756 -6.070) 6.985 3.140 ( 1.902 -3.609 -4.900) 6.376 3.320 ( -0.085 -0.871 -1.972) 2.157 3.601 ( -2.072 -1.504 5.717) 6.264 3.803 ( 2.756 0.785 -9.394) 9.821 4.014 ( -0.730 0.071 0.417) 0.843 4.205 ( -1.424 -2.607 5.727) 6.451 4.880 ( -1.758 -6.052 6.111) 8.778 5.220 ( 0.740 3.389 -0.677) 3.534 5.594 ( 0.527 -61.837 -0.909) 61.846 5.637 ( -0.403 -62.934 -0.542) 62.938 5.900 ( 2.766 2.797 -4.165) 5.729 7.104 ( -0.367 -24.607 1.595) 24.661 7.271 ( -1.349 -18.878 4.406) 19.432 7.518 ( 1.456 -15.747 -2.661) 16.037 7.759 ( 0.722 -7.057 -2.364) 7.477 20.975 ( -3.022 -144.656 7.294) 144.871 23.534 ( -4.873 -94.758 -51.367) 107.896 ======================= Grid point 179 (54/322) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.093 -12.157 2.175) 12.350 1.242 ( -4.466 -5.190 19.290) 20.469 2.039 ( -0.511 -8.233 1.334) 8.356 2.123 ( 1.096 -3.331 0.182) 3.511 2.182 ( 0.829 -9.040 -1.986) 9.292 2.338 ( 0.872 -9.099 -1.391) 9.246 2.428 ( 1.492 -2.488 -4.821) 5.627 3.204 ( 1.863 -2.499 -4.648) 5.596 3.327 ( 0.175 -0.346 -2.756) 2.783 3.621 ( -2.094 -0.784 6.902) 7.255 3.788 ( 2.542 0.758 -8.897) 9.284 4.013 ( -0.719 -0.302 0.957) 1.234 4.240 ( -0.594 -0.817 3.117) 3.276 4.951 ( -1.245 -1.474 4.328) 4.738 5.160 ( 0.558 2.733 -1.083) 2.993 5.848 ( 2.588 2.712 -3.902) 5.411 6.671 ( 1.040 -44.389 -0.666) 44.406 6.727 ( 1.366 -44.873 0.388) 44.895 7.492 ( -0.123 -13.747 0.846) 13.773 7.602 ( -0.603 -14.919 2.002) 15.065 7.763 ( 0.216 -8.563 -1.547) 8.704 7.917 ( 0.678 -9.181 -1.832) 9.386 23.413 ( -2.685 -99.400 6.232) 99.631 25.092 ( 3.967 -66.820 -18.332) 69.402 ======================= Grid point 180 (55/322) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.244 -9.002 1.333) 9.104 1.331 ( -4.424 -3.420 17.791) 18.650 2.181 ( 0.631 -2.562 0.710) 2.732 2.197 ( -0.229 -6.458 1.296) 6.590 2.338 ( 1.057 -6.174 -2.776) 6.851 2.455 ( 1.110 -2.290 -4.393) 5.077 2.506 ( 0.519 -5.433 -1.334) 5.618 3.245 ( 1.728 -1.330 -4.655) 5.141 3.330 ( 0.439 -0.219 -3.040) 3.080 3.633 ( -2.036 -0.508 7.340) 7.634 3.775 ( 2.356 0.591 -8.399) 8.743 4.021 ( -0.536 -0.597 1.302) 1.529 4.244 ( -0.366 0.311 1.974) 2.032 4.956 ( -1.119 0.534 3.887) 4.080 5.117 ( 0.408 1.594 -1.161) 2.013 5.808 ( 2.164 1.920 -3.799) 4.775 7.296 ( 0.253 -17.473 -0.073) 17.475 7.386 ( 1.867 -20.130 0.334) 20.220 7.662 ( -0.026 -4.069 0.472) 4.096 7.866 ( -0.259 -2.492 -0.834) 2.641 7.919 ( -0.243 -17.651 0.692) 17.666 8.148 ( 1.333 -13.472 -0.661) 13.554 24.921 ( -1.695 -53.748 3.949) 53.920 26.161 ( 6.775 -39.180 -8.065) 40.571 ======================= Grid point 181 (56/322) ======================= q-point: ( 0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -4.541 -1.124 16.958) 17.591 1.411 ( -0.143 -3.180 0.491) 3.220 2.212 ( 0.046 -0.559 1.236) 1.357 2.296 ( -0.428 -2.742 1.438) 3.125 2.422 ( 1.629 -2.169 -4.243) 5.036 2.481 ( 0.654 -0.380 -3.456) 3.537 2.585 ( 0.300 -2.065 -1.336) 2.478 3.263 ( 1.506 -0.348 -4.887) 5.126 3.332 ( 0.683 -0.129 -2.982) 3.062 3.641 ( -2.016 -0.330 7.434) 7.710 3.766 ( 2.226 0.254 -8.055) 8.361 4.032 ( -0.431 -0.442 1.486) 1.609 4.237 ( -0.398 0.370 1.636) 1.724 4.943 ( -1.102 0.463 3.919) 4.097 5.096 ( 0.319 0.588 -1.130) 1.313 5.784 ( 1.464 0.840 -3.872) 4.224 7.467 ( -0.144 -2.840 0.671) 2.922 7.611 ( 0.624 -4.151 -0.233) 4.204 7.696 ( -0.090 -0.288 0.533) 0.612 7.885 ( -0.070 -0.247 -0.580) 0.634 8.211 ( -0.019 -8.732 0.075) 8.732 8.378 ( 0.840 -6.496 -0.009) 6.550 25.605 ( -0.866 -16.667 2.498) 16.876 26.679 ( 4.480 -11.055 -8.168) 14.457 ======================= Grid point 182 (57/322) ======================= q-point: (-0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -4.637 1.625 16.560) 17.274 1.403 ( -0.062 3.884 0.410) 3.907 2.209 ( -0.824 0.806 1.254) 1.703 2.297 ( -0.464 2.626 1.488) 3.054 2.440 ( 2.260 0.390 -5.740) 6.182 2.455 ( 0.283 3.060 -2.257) 3.813 2.583 ( 0.200 2.229 -1.412) 2.647 3.261 ( 1.279 0.516 -5.165) 5.346 3.335 ( 0.840 -0.097 -2.627) 2.760 3.646 ( -2.100 -0.131 7.397) 7.690 3.765 ( 2.181 -0.135 -7.930) 8.225 4.037 ( -0.431 -0.068 1.556) 1.616 4.234 ( -0.459 -0.079 1.540) 1.609 4.942 ( -1.052 -0.393 3.924) 4.081 5.093 ( 0.350 -0.220 -1.252) 1.319 5.779 ( 0.739 -0.391 -4.060) 4.145 7.468 ( -0.230 2.875 0.635) 2.953 7.603 ( -0.407 5.083 -0.497) 5.124 7.696 ( -0.180 0.305 0.513) 0.623 7.887 ( 0.347 -0.013 -0.471) 0.585 8.212 ( -0.049 8.568 0.092) 8.568 8.364 ( -0.579 7.665 -0.505) 7.704 25.615 ( -0.761 15.720 3.217) 16.064 26.627 ( 0.974 16.023 -10.489) 19.176 ======================= Grid point 183 (58/322) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.148 9.461 0.327) 9.468 1.318 ( -5.090 3.867 17.621) 18.745 2.175 ( -1.116 2.284 0.606) 2.614 2.198 ( -0.457 6.862 1.553) 7.050 2.352 ( 0.330 6.947 -2.612) 7.429 2.422 ( 2.610 1.810 -5.507) 6.357 2.496 ( 0.010 6.162 -1.465) 6.333 3.240 ( 1.159 1.481 -5.270) 5.596 3.337 ( 0.835 -0.045 -2.175) 2.331 3.645 ( -2.249 0.088 7.237) 7.579 3.771 ( 2.247 -0.457 -8.049) 8.369 4.036 ( -0.477 0.124 1.421) 1.504 4.236 ( -0.503 -0.044 1.757) 1.828 4.954 ( -1.005 -0.503 3.909) 4.068 5.106 ( 0.560 -1.110 -1.553) 1.989 5.797 ( 0.260 -1.659 -4.263) 4.582 7.287 ( -0.292 18.701 -1.027) 18.731 7.360 ( -1.080 20.516 -0.093) 20.544 7.661 ( -0.212 4.086 0.438) 4.115 7.872 ( 0.535 2.419 -0.590) 2.547 7.923 ( -0.280 17.532 0.885) 17.557 8.133 ( -0.423 12.555 -1.263) 12.626 24.946 ( -1.428 53.129 5.757) 53.459 26.046 ( 1.342 40.511 -13.471) 42.713 ======================= Grid point 184 (59/322) ======================= q-point: (-0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.063 12.367 1.165) 12.422 1.222 ( -5.406 5.591 18.961) 20.494 2.043 ( -0.424 8.195 1.546) 8.351 2.113 ( -0.892 3.413 0.137) 3.531 2.184 ( 0.349 9.428 -2.285) 9.707 2.333 ( 0.204 9.443 -1.263) 9.529 2.388 ( 2.741 2.666 -6.295) 7.365 3.199 ( 1.168 2.580 -5.285) 5.996 3.338 ( 0.664 0.148 -1.680) 1.813 3.639 ( -2.349 0.400 6.775) 7.181 3.783 ( 2.422 -0.648 -8.429) 8.794 4.033 ( -0.471 0.049 0.894) 1.012 4.229 ( -0.682 0.943 2.986) 3.205 4.949 ( -1.124 1.437 4.398) 4.762 5.140 ( 0.938 -2.130 -1.784) 2.933 5.835 ( 0.123 -2.677 -4.427) 5.175 6.643 ( -0.033 44.132 -2.636) 44.211 6.714 ( -0.355 44.391 0.562) 44.396 7.492 ( -0.297 13.766 0.779) 13.792 7.606 ( -0.677 15.001 2.172) 15.173 7.768 ( 0.393 8.717 -1.308) 8.823 7.917 ( 0.342 9.017 -1.880) 9.217 23.441 ( -2.296 99.274 8.391) 99.654 25.025 ( 10.081 61.724 -23.251) 66.724 ======================= Grid point 185 (60/322) ======================= q-point: (-0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.598 13.062 2.559) 13.323 1.094 ( -5.783 7.269 20.937) 22.904 1.895 ( -0.334 6.182 1.210) 6.309 1.985 ( 0.186 9.732 -1.332) 9.825 2.042 ( -0.172 3.611 -0.518) 3.652 2.112 ( -0.333 12.492 -0.650) 12.513 2.338 ( 3.654 3.058 -7.317) 8.732 3.136 ( 1.279 3.584 -5.401) 6.607 3.329 ( 0.331 0.917 -0.924) 1.343 3.622 ( -2.291 1.083 5.622) 6.167 3.797 ( 2.640 -0.675 -8.996) 9.400 4.029 ( -0.276 0.339 0.058) 0.441 4.198 ( -1.305 2.201 5.842) 6.378 4.880 ( -1.678 5.912 6.281) 8.788 5.194 ( 1.400 -2.821 -1.611) 3.538 5.583 ( 0.904 61.098 -1.790) 61.131 5.640 ( 0.569 62.103 -0.451) 62.107 5.890 ( 0.122 -2.951 -4.590) 5.458 7.104 ( -0.473 24.572 1.551) 24.625 7.271 ( -1.158 19.002 4.557) 19.575 7.516 ( 0.104 16.269 -2.675) 16.488 7.756 ( 0.793 7.450 -2.518) 7.904 20.996 ( -2.629 144.944 9.004) 145.247 23.640 ( 28.948 82.470 -53.197) 102.319 ======================= Grid point 186 (61/322) ======================= q-point: (-0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -1.440 12.141 4.632) 13.074 0.934 ( -6.424 8.702 24.269) 26.570 1.796 ( 0.316 10.938 0.193) 10.944 1.805 ( -0.153 6.290 -0.627) 6.323 1.826 ( -0.378 11.432 0.289) 11.442 1.982 ( 0.117 2.413 -0.362) 2.443 2.283 ( 4.262 3.371 -8.264) 9.890 3.058 ( 1.419 3.977 -5.683) 7.080 3.289 ( -0.224 3.677 0.946) 3.803 3.585 ( -1.961 2.164 3.038) 4.214 3.808 ( 2.824 0.249 -9.141) 9.571 3.966 ( 0.448 20.464 -0.452) 20.474 4.096 ( -1.312 11.348 3.076) 11.831 4.252 ( 0.152 72.439 -0.388) 72.440 4.411 ( 0.343 39.602 4.276) 39.833 4.706 ( -2.957 11.366 10.341) 15.648 5.258 ( 1.769 -2.804 -0.903) 3.436 5.942 ( 0.422 -2.521 -4.637) 5.295 6.576 ( -0.526 26.092 1.919) 26.168 6.875 ( -2.028 19.459 8.903) 21.495 7.143 ( 0.072 19.551 -4.325) 20.023 7.622 ( 1.220 5.952 -2.874) 6.722 17.830 ( -1.883 166.420 6.175) 166.545 21.762 ( 54.111 122.363 -124.633) 182.849 ======================= Grid point 187 (62/322) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( -2.223 9.489 8.686) 13.055 0.765 ( -7.234 7.905 29.221) 31.124 1.269 ( -1.098 40.831 4.505) 41.094 1.686 ( 0.099 4.114 0.458) 4.141 1.778 ( 0.417 1.380 -2.324) 2.735 1.950 ( 0.228 0.881 -0.241) 0.941 2.227 ( 4.639 3.086 -9.108) 10.677 2.783 ( 0.074 64.883 0.419) 64.884 2.850 ( 3.222 58.743 -11.906) 60.024 2.990 ( 1.451 3.296 -5.248) 6.365 3.169 ( -1.108 7.861 4.813) 9.283 3.536 ( -1.392 1.695 -0.612) 2.278 3.835 ( 2.651 -1.653 -8.908) 9.441 4.114 ( -1.618 -6.259 4.892) 8.107 4.274 ( -3.582 -5.353 14.145) 15.542 4.473 ( -4.481 9.912 14.831) 18.392 5.316 ( 1.742 -2.088 0.463) 2.758 5.974 ( 0.820 -0.744 -4.734) 4.862 6.160 ( -0.273 14.123 1.657) 14.222 6.597 ( -4.029 4.860 16.210) 17.396 6.790 ( 1.283 13.773 -5.620) 14.931 7.531 ( 1.609 3.315 -2.839) 4.652 14.784 ( -0.253 125.725 0.938) 125.729 18.292 ( 59.474 257.112 -220.225) 343.719 ======================= Grid point 189 (63/322) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 3.241 0.000 11.550) 11.996 0.365 ( -0.640 -0.000 15.905) 15.918 0.732 ( -6.349 -0.000 33.756) 34.348 1.651 ( 0.233 0.000 1.095) 1.120 1.710 ( 1.473 0.000 -6.500) 6.665 1.936 ( -1.008 -0.000 -0.132) 1.016 2.035 ( -0.608 -0.000 2.566) 2.637 2.135 ( 1.376 0.000 -0.007) 1.376 2.216 ( 3.488 0.000 -8.781) 9.449 2.964 ( 1.376 0.000 -5.107) 5.290 3.070 ( -1.771 -0.000 6.967) 7.188 3.495 ( -0.945 -0.000 -2.534) 2.704 3.864 ( 2.848 0.000 -9.763) 10.170 4.162 ( -2.644 -0.000 4.469) 5.192 4.361 ( -5.196 -0.000 15.507) 16.354 4.401 ( -15.912 -0.000 8.006) 17.812 5.359 ( -0.136 -0.000 1.696) 1.701 5.967 ( 1.606 0.000 -3.712) 4.044 6.046 ( 0.864 0.000 0.289) 0.911 6.524 ( -10.805 -0.000 7.484) 13.143 6.892 ( 6.765 0.000 -6.453) 9.349 7.514 ( 1.753 0.000 -2.239) 2.844 13.358 ( 1.113 0.000 -2.418) 2.662 13.432 ( 0.629 0.000 -1.396) 1.531 ======================= Grid point 190 (64/322) ======================= q-point: ( 0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 3.033 -7.654 7.562) 11.179 0.803 ( -5.128 -7.333 28.343) 29.721 1.284 ( -0.058 -40.540 4.803) 40.823 1.694 ( 0.404 -4.044 0.690) 4.122 1.771 ( 0.306 -1.605 -2.541) 3.021 1.943 ( -0.673 -1.280 -0.372) 1.493 2.255 ( 2.684 -2.935 -8.055) 8.983 2.785 ( -0.086 -65.137 0.429) 65.138 2.822 ( 0.204 -58.198 -8.646) 58.837 2.992 ( 1.657 -3.127 -5.051) 6.167 3.172 ( -1.252 -7.774 4.626) 9.133 3.505 ( -1.085 -1.981 -1.010) 2.474 3.842 ( 3.006 1.438 -9.337) 9.914 4.097 ( -2.255 5.297 4.072) 7.052 4.223 ( -8.037 1.725 14.040) 16.269 4.465 ( -4.385 -10.106 14.415) 18.142 5.340 ( 0.337 1.946 0.796) 2.130 5.989 ( 2.844 0.472 -4.717) 5.528 6.163 ( -0.298 -13.719 1.613) 13.817 6.558 ( -5.932 -9.860 12.541) 17.020 6.880 ( 7.693 -8.107 -4.440) 12.025 7.548 ( 1.369 -2.957 -2.351) 4.018 14.783 ( -0.317 -125.309 0.654) 125.311 17.256 ( -37.981 -249.855 -139.699) 288.766 ======================= Grid point 191 (65/322) ======================= q-point: ( 0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 1.345 -10.820 4.669) 11.861 0.972 ( -4.728 -8.056 23.814) 25.580 1.795 ( -0.298 -4.876 0.119) 4.887 1.818 ( 0.742 -8.440 -0.210) 8.475 1.839 ( 1.199 -15.254 0.413) 15.306 1.984 ( 0.220 -2.976 -0.521) 3.030 2.318 ( 1.829 -3.120 -6.899) 7.790 3.065 ( 2.097 -4.103 -5.196) 6.945 3.282 ( -0.435 -3.180 -0.102) 3.211 3.554 ( -1.557 -2.892 3.216) 4.596 3.820 ( 2.918 0.657 -9.477) 9.938 3.980 ( 0.385 -19.412 0.420) 19.420 4.071 ( -1.758 -13.904 3.021) 14.336 4.240 ( -0.769 -74.284 -0.564) 74.290 4.371 ( -4.191 -39.384 4.774) 39.893 4.701 ( -2.952 -11.691 10.019) 15.677 5.290 ( 0.398 3.138 -0.141) 3.166 5.964 ( 3.090 2.474 -4.420) 5.933 6.576 ( -0.507 -26.055 1.915) 26.130 6.870 ( -2.745 -19.940 8.061) 21.682 7.183 ( 4.154 -17.327 -4.098) 18.284 7.635 ( 0.935 -5.387 -2.498) 6.012 17.815 ( -1.982 -165.788 4.842) 165.871 20.902 ( -30.870 -158.593 -96.366) 188.125 ======================= Grid point 192 (66/322) ======================= q-point: ( 0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.170 -12.416 3.191) 12.820 1.128 ( -4.535 -6.712 20.752) 22.277 1.889 ( -0.466 -6.280 0.961) 6.370 1.995 ( 0.775 -9.504 -1.131) 9.602 2.055 ( 0.976 -3.864 -0.498) 4.017 2.131 ( 1.275 -12.040 -0.533) 12.119 2.376 ( 1.236 -2.810 -5.814) 6.575 3.147 ( 2.065 -3.590 -4.798) 6.339 3.313 ( -0.021 -0.856 -2.279) 2.434 3.597 ( -1.842 -1.610 5.936) 6.420 3.804 ( 2.635 0.820 -9.229) 9.633 4.009 ( -0.629 0.105 0.658) 0.916 4.206 ( -1.432 -2.768 5.403) 6.237 4.879 ( -1.786 -6.081 6.110) 8.803 5.224 ( 0.347 3.409 -0.824) 3.524 5.596 ( 0.371 -62.360 -0.621) 62.364 5.632 ( -0.424 -63.952 -0.289) 63.954 5.917 ( 3.018 2.832 -4.232) 5.920 7.105 ( -0.359 -24.636 1.631) 24.693 7.269 ( -1.317 -18.970 4.250) 19.485 7.526 ( 1.705 -14.980 -2.831) 15.340 7.759 ( 0.659 -7.006 -2.357) 7.421 20.965 ( -2.687 -144.574 6.587) 144.749 23.328 ( -10.124 -108.900 -42.680) 117.402 ======================= Grid point 193 (67/322) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.322 -11.964 2.118) 12.155 1.249 ( -4.518 -5.024 18.968) 20.135 2.037 ( -0.506 -8.255 1.311) 8.373 2.134 ( 1.300 -3.400 -0.582) 3.687 2.186 ( 0.924 -8.980 -1.572) 9.163 2.343 ( 0.912 -8.820 -1.528) 8.997 2.427 ( 0.780 -2.589 -4.636) 5.367 3.211 ( 1.930 -2.428 -4.602) 5.550 3.322 ( 0.259 -0.413 -2.956) 2.996 3.620 ( -1.907 -0.829 7.066) 7.365 3.789 ( 2.435 0.766 -8.739) 9.105 4.010 ( -0.492 -0.383 1.077) 1.245 4.242 ( -0.653 -0.835 2.891) 3.079 4.950 ( -1.284 -1.486 4.321) 4.747 5.161 ( 0.331 2.745 -1.240) 3.030 5.864 ( 2.691 2.888 -3.989) 5.612 6.676 ( 0.399 -44.400 -0.445) 44.404 6.744 ( 1.840 -45.618 0.104) 45.655 7.494 ( -0.116 -13.747 0.881) 13.775 7.602 ( -0.544 -14.936 1.968) 15.075 7.761 ( 0.256 -8.240 -1.585) 8.395 7.919 ( 0.706 -9.443 -1.766) 9.633 23.404 ( -2.248 -99.475 5.661) 99.662 25.076 ( 2.389 -72.847 -15.954) 74.612 ======================= Grid point 194 (68/322) ======================= q-point: ( 0.46 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.465 -8.938 1.323) 9.048 1.335 ( -4.491 -3.286 17.594) 18.453 2.187 ( 0.159 -4.192 0.625) 4.241 2.200 ( 0.339 -4.664 0.789) 4.743 2.342 ( 1.242 -6.182 -2.397) 6.746 2.454 ( 0.942 -2.111 -4.447) 5.012 2.505 ( 0.119 -5.517 -1.395) 5.692 3.249 ( 1.724 -1.205 -4.662) 5.115 3.327 ( 0.511 -0.325 -3.135) 3.193 3.633 ( -1.910 -0.506 7.443) 7.701 3.775 ( 2.289 0.596 -8.293) 8.624 4.020 ( -0.364 -0.638 1.355) 1.541 4.246 ( -0.421 0.339 1.842) 1.920 4.955 ( -1.146 0.515 3.877) 4.076 5.118 ( 0.294 1.592 -1.261) 2.052 5.819 ( 2.104 2.217 -3.902) 4.957 7.298 ( 0.116 -17.373 -0.008) 17.374 7.405 ( 1.712 -19.550 -0.035) 19.624 7.663 ( -0.017 -4.055 0.494) 4.085 7.861 ( -0.228 -2.502 -0.807) 2.639 7.919 ( -0.187 -17.636 0.698) 17.651 8.159 ( 1.264 -13.901 -0.710) 13.976 24.917 ( -1.337 -53.876 3.643) 54.015 26.201 ( 5.638 -39.758 -8.092) 40.963 ======================= Grid point 195 (69/322) ======================= q-point: ( 0.54 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -4.548 -1.037 16.846) 17.480 1.410 ( -0.245 -3.216 0.535) 3.270 2.216 ( 0.130 -0.172 0.946) 0.970 2.295 ( -0.520 -2.734 1.432) 3.130 2.429 ( 1.976 -2.192 -3.990) 4.963 2.476 ( 0.340 -0.396 -3.508) 3.546 2.583 ( 0.146 -2.072 -1.396) 2.503 3.264 ( 1.487 -0.196 -4.911) 5.135 3.331 ( 0.719 -0.252 -2.990) 3.086 3.642 ( -1.974 -0.277 7.470) 7.732 3.766 ( 2.207 0.259 -8.019) 8.321 4.032 ( -0.373 -0.437 1.506) 1.611 4.237 ( -0.421 0.403 1.589) 1.692 4.943 ( -1.108 0.435 3.914) 4.091 5.096 ( 0.282 0.577 -1.164) 1.330 5.788 ( 1.396 1.198 -3.923) 4.332 7.468 ( -0.148 -2.802 0.687) 2.888 7.616 ( 0.519 -3.635 -0.329) 3.687 7.697 ( -0.094 -0.240 0.535) 0.594 7.882 ( -0.030 -0.442 -0.557) 0.712 8.211 ( -0.009 -8.739 0.092) 8.739 8.386 ( 0.674 -5.849 -0.161) 5.890 25.604 ( -0.726 -16.784 2.427) 16.975 26.698 ( 3.840 -9.366 -8.479) 13.204 ======================= Grid point 196 (70/322) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -4.619 1.664 16.804) 17.506 1.404 ( 0.054 3.826 0.277) 3.837 2.205 ( -0.655 1.177 1.313) 1.881 2.295 ( -0.546 2.590 1.463) 3.024 2.445 ( 1.955 1.565 -7.291) 7.709 2.454 ( 0.694 1.785 -0.611) 2.011 2.580 ( 0.164 2.253 -1.406) 2.661 3.260 ( 1.311 0.625 -5.119) 5.321 3.336 ( 0.801 -0.184 -2.644) 2.769 3.645 ( -2.131 -0.044 7.360) 7.662 3.765 ( 2.207 -0.142 -7.966) 8.268 4.037 ( -0.481 -0.034 1.533) 1.607 4.233 ( -0.433 -0.066 1.593) 1.652 4.942 ( -1.049 -0.420 3.928) 4.088 5.093 ( 0.376 -0.257 -1.212) 1.295 5.776 ( 0.838 -0.081 -4.001) 4.089 7.467 ( -0.214 2.935 0.614) 3.007 7.598 ( -0.252 5.568 -0.381) 5.587 7.695 ( -0.167 0.338 0.508) 0.633 7.889 ( 0.285 -0.176 -0.500) 0.601 8.212 ( -0.053 8.590 0.060) 8.590 8.358 ( -0.338 8.131 -0.323) 8.144 25.616 ( -0.902 15.667 3.238) 16.023 26.612 ( 1.796 17.315 -10.058) 20.104 ======================= Grid point 197 (71/322) ======================= q-point: (-0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.294 9.445 0.484) 9.462 1.317 ( -4.899 3.894 17.852) 18.917 2.167 ( -0.772 2.410 0.871) 2.676 2.198 ( -0.510 6.831 1.543) 7.022 2.348 ( 0.346 6.844 -2.967) 7.467 2.434 ( 2.699 1.679 -5.116) 6.023 2.493 ( 0.124 6.315 -1.342) 6.458 3.238 ( 1.255 1.524 -5.142) 5.508 3.339 ( 0.709 -0.073 -2.261) 2.371 3.642 ( -2.309 0.182 7.146) 7.512 3.772 ( 2.316 -0.481 -8.177) 8.513 4.034 ( -0.615 0.169 1.345) 1.489 4.237 ( -0.432 -0.074 1.913) 1.963 4.955 ( -1.004 -0.517 3.918) 4.077 5.108 ( 0.628 -1.207 -1.401) 1.953 5.790 ( 0.626 -1.453 -4.099) 4.394 7.283 ( 0.087 19.199 -1.109) 19.231 7.352 ( -0.606 20.287 0.461) 20.301 7.661 ( -0.174 4.101 0.428) 4.127 7.874 ( 0.361 2.434 -0.653) 2.546 7.923 ( -0.313 17.552 0.845) 17.575 8.128 ( -0.065 12.382 -1.121) 12.432 24.946 ( -1.781 53.128 5.678) 53.461 26.033 ( 3.291 39.707 -12.513) 41.762 ======================= Grid point 198 (72/322) ======================= q-point: (-0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.127 12.434 1.511) 12.526 1.222 ( -5.078 5.595 19.292) 20.719 2.042 ( -0.493 8.176 1.509) 8.328 2.107 ( -0.409 3.386 0.442) 3.440 2.182 ( 0.443 9.338 -2.365) 9.643 2.331 ( 0.172 9.698 -1.031) 9.754 2.400 ( 3.031 2.382 -6.065) 7.186 3.197 ( 1.317 2.588 -5.117) 5.884 3.338 ( 0.463 0.156 -1.862) 1.925 3.634 ( -2.407 0.494 6.670) 7.108 3.784 ( 2.525 -0.675 -8.662) 9.047 4.030 ( -0.672 0.068 0.805) 1.051 4.231 ( -0.621 0.879 3.197) 3.374 4.950 ( -1.126 1.440 4.394) 4.759 5.145 ( 0.994 -2.305 -1.470) 2.909 5.828 ( 0.753 -2.560 -4.217) 4.990 6.640 ( 0.848 43.882 -2.310) 43.951 6.712 ( -0.249 44.262 0.768) 44.269 7.491 ( -0.243 13.762 0.777) 13.786 7.605 ( -0.697 14.964 2.145) 15.133 7.768 ( 0.305 8.905 -1.354) 9.012 7.916 ( 0.416 8.898 -1.913) 9.111 23.439 ( -2.725 99.251 8.162) 99.623 25.059 ( 9.719 58.538 -23.587) 63.855 ======================= Grid point 199 (73/322) ======================= q-point: (-0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.230 13.216 3.042) 13.564 1.097 ( -5.293 7.260 21.307) 23.124 1.894 ( -0.427 6.175 1.143) 6.295 1.984 ( 0.418 9.639 -1.211) 9.724 2.041 ( 0.148 3.490 -0.348) 3.510 2.109 ( 0.160 12.616 -0.476) 12.626 2.354 ( 3.470 2.897 -6.887) 8.238 3.135 ( 1.459 3.596 -5.234) 6.515 3.329 ( 0.114 0.904 -1.210) 1.515 3.614 ( -2.335 1.211 5.528) 6.122 3.799 ( 2.762 -0.700 -9.260) 9.688 4.026 ( -0.484 0.188 0.072) 0.524 4.201 ( -1.380 2.271 5.964) 6.529 4.881 ( -1.690 5.956 6.220) 8.776 5.204 ( 1.345 -3.063 -1.123) 3.529 5.587 ( 0.834 61.111 -1.549) 61.136 5.643 ( 0.278 61.952 -0.706) 61.957 5.883 ( 1.061 -2.977 -4.358) 5.383 7.104 ( -0.432 24.571 1.549) 24.624 7.272 ( -1.250 18.878 4.596) 19.469 7.512 ( 0.542 16.502 -2.591) 16.713 7.757 ( 0.793 7.310 -2.454) 7.752 20.992 ( -2.989 144.866 8.664) 145.155 23.724 ( 18.091 78.688 -57.766) 99.277 ======================= Grid point 200 (74/322) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.387 12.249 5.179) 13.305 0.941 ( -5.657 8.643 24.556) 26.640 1.799 ( -0.049 8.333 0.429) 8.344 1.804 ( 0.487 8.995 -0.620) 9.030 1.825 ( 0.102 11.324 0.313) 11.329 1.982 ( 0.165 2.369 -0.312) 2.395 2.301 ( 3.756 3.227 -7.706) 9.160 3.057 ( 1.604 4.019 -5.527) 7.020 3.288 ( -0.353 3.552 0.640) 3.627 3.574 ( -1.995 2.389 2.920) 4.268 3.812 ( 3.013 -0.044 -9.393) 9.865 3.970 ( 0.532 20.412 -0.179) 20.420 4.090 ( -1.670 11.507 3.030) 12.016 4.251 ( -0.094 72.714 -0.459) 72.716 4.415 ( -1.820 39.459 3.845) 39.688 4.704 ( -2.969 11.481 10.166) 15.620 5.273 ( 1.440 -3.020 -0.299) 3.359 5.939 ( 1.563 -2.443 -4.462) 5.322 6.576 ( -0.512 26.059 1.910) 26.134 6.877 ( -2.480 19.368 8.897) 21.457 7.141 ( 1.814 19.564 -3.937) 20.038 7.627 ( 1.213 5.764 -2.642) 6.456 17.827 ( -2.074 166.256 5.870) 166.373 21.769 ( 18.282 123.283 -133.156) 182.383 ======================= Grid point 203 (75/322) ======================= q-point: ( 0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 5.696 0.000 8.515) 10.245 0.405 ( 0.290 0.000 14.546) 14.549 0.763 ( -5.625 -0.000 31.885) 32.378 1.657 ( 0.330 0.000 1.112) 1.160 1.707 ( 1.498 0.000 -6.515) 6.685 1.924 ( -1.464 -0.000 -0.129) 1.470 2.035 ( -0.704 -0.000 2.461) 2.559 2.150 ( 1.631 0.000 0.000) 1.631 2.220 ( 2.212 0.000 -8.508) 8.791 2.965 ( 1.639 0.000 -4.989) 5.251 3.071 ( -1.932 -0.000 7.055) 7.315 3.480 ( -0.608 -0.000 -2.640) 2.709 3.866 ( 2.984 0.000 -9.616) 10.068 4.148 ( -2.519 -0.000 4.415) 5.083 4.272 ( -14.893 -0.000 14.161) 20.551 4.357 ( -4.921 -0.000 15.884) 16.629 5.361 ( -0.269 -0.000 1.130) 1.161 5.973 ( 1.433 0.000 -3.179) 3.487 6.055 ( 0.984 0.000 -0.318) 1.034 6.457 ( -8.352 -0.000 11.916) 14.551 6.926 ( 4.994 0.000 -10.362) 11.502 7.524 ( 1.452 0.000 -2.211) 2.646 13.363 ( 1.177 0.000 -2.448) 2.716 13.434 ( 0.563 0.000 -1.380) 1.490 ======================= Grid point 204 (76/322) ======================= q-point: ( 0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 4.421 -5.911 5.811) 9.394 0.829 ( -4.919 -6.867 27.038) 28.326 1.298 ( 0.129 -40.394 4.735) 40.671 1.700 ( 0.424 -4.037 0.740) 4.126 1.767 ( 0.363 -1.721 -2.610) 3.147 1.934 ( -0.911 -1.741 -0.480) 2.023 2.254 ( 1.471 -2.947 -7.882) 8.543 2.785 ( -0.172 -65.479 0.195) 65.479 2.802 ( -0.316 -57.417 -5.769) 57.707 2.996 ( 2.016 -2.978 -5.085) 6.229 3.172 ( -1.395 -7.608 4.490) 8.943 3.494 ( -0.635 -2.163 -0.852) 2.410 3.847 ( 2.979 1.458 -9.304) 9.877 4.086 ( -2.244 4.835 4.071) 6.707 4.184 ( -7.389 -0.508 13.623) 15.507 4.461 ( -4.283 -10.190 14.466) 18.206 5.342 ( -0.181 1.846 0.316) 1.882 6.004 ( 2.881 0.112 -4.713) 5.525 6.164 ( -0.369 -13.513 1.562) 13.608 6.537 ( -4.993 -11.399 11.775) 17.132 6.939 ( 7.244 -7.006 -6.496) 11.990 7.553 ( 1.048 -2.780 -2.451) 3.852 14.781 ( -0.287 -125.086 0.435) 125.087 16.560 ( -39.277 -231.810 -84.288) 249.766 ======================= Grid point 205 (77/322) ======================= q-point: ( 0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 1.683 -9.581 3.849) 10.461 0.989 ( -4.813 -7.730 22.970) 24.709 1.792 ( -0.281 -4.610 0.111) 4.620 1.824 ( 0.528 -7.678 -0.298) 7.702 1.854 ( 1.518 -16.195 0.381) 16.271 1.985 ( 0.193 -3.493 -0.813) 3.592 2.313 ( 0.860 -3.206 -6.757) 7.528 3.072 ( 2.249 -4.101 -5.139) 6.949 3.277 ( -0.379 -3.019 -0.366) 3.065 3.550 ( -1.188 -3.059 3.560) 4.841 3.822 ( 2.728 0.856 -9.251) 9.683 3.985 ( 0.166 -18.336 0.586) 18.346 4.063 ( -1.434 -16.029 3.020) 16.374 4.229 ( -1.173 -74.186 -0.186) 74.195 4.345 ( -3.777 -40.047 5.136) 40.551 4.699 ( -2.906 -11.741 10.106) 15.762 5.291 ( -0.098 3.078 -0.587) 3.135 5.983 ( 3.115 2.447 -4.492) 5.989 6.577 ( -0.518 -26.086 1.929) 26.163 6.865 ( -2.597 -20.242 7.669) 21.801 7.213 ( 4.332 -16.013 -4.782) 17.264 7.636 ( 0.719 -5.297 -2.618) 5.952 17.809 ( -1.721 -165.595 4.359) 165.661 20.357 ( -32.138 -175.280 -69.545) 191.292 ======================= Grid point 206 (78/322) ======================= q-point: ( 0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.026 -11.881 2.801) 12.207 1.138 ( -4.712 -6.522 20.178) 21.723 1.887 ( -0.427 -6.309 0.963) 6.397 1.999 ( 0.712 -9.456 -1.254) 9.565 2.064 ( 1.052 -4.204 -0.900) 4.426 2.142 ( 1.174 -11.717 -0.685) 11.796 2.369 ( 0.538 -2.943 -5.677) 6.417 3.154 ( 2.071 -3.552 -4.829) 6.342 3.307 ( 0.138 -0.846 -2.401) 2.549 3.597 ( -1.570 -1.664 6.183) 6.593 3.805 ( 2.458 0.845 -8.941) 9.311 4.006 ( -0.364 0.087 0.859) 0.937 4.206 ( -1.475 -2.899 5.007) 5.971 4.878 ( -1.792 -6.084 6.163) 8.843 5.223 ( -0.011 3.328 -1.203) 3.539 5.597 ( 0.196 -62.782 -0.442) 62.784 5.627 ( -0.314 -65.081 -0.092) 65.082 5.935 ( 2.873 2.984 -4.359) 6.013 7.106 ( -0.372 -24.667 1.667) 24.726 7.268 ( -1.249 -19.080 4.112) 19.558 7.536 ( 1.757 -14.192 -3.051) 14.622 7.759 ( 0.597 -7.032 -2.375) 7.446 20.958 ( -2.209 -144.534 6.085) 144.679 23.121 ( -10.299 -121.956 -33.742) 126.956 ======================= Grid point 207 (79/322) ======================= q-point: ( 0.46 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.561 -11.778 1.905) 11.944 1.255 ( -4.707 -4.909 18.602) 19.806 2.036 ( -0.481 -8.259 1.325) 8.378 2.145 ( 1.324 -3.587 -1.590) 4.141 2.191 ( 0.859 -8.896 -1.146) 9.011 2.347 ( 0.831 -8.652 -1.539) 8.827 2.419 ( 0.238 -2.632 -4.631) 5.332 3.217 ( 1.841 -2.360 -4.701) 5.572 3.317 ( 0.432 -0.453 -2.967) 3.033 3.622 ( -1.707 -0.832 7.228) 7.474 3.789 ( 2.294 0.759 -8.506) 8.842 4.009 ( -0.209 -0.421 1.184) 1.273 4.243 ( -0.744 -0.875 2.627) 2.867 4.949 ( -1.300 -1.491 4.338) 4.767 5.160 ( 0.129 2.675 -1.514) 3.077 5.878 ( 2.453 3.064 -4.156) 5.717 6.678 ( 0.156 -44.398 -0.409) 44.400 6.761 ( 1.514 -46.281 -0.263) 46.306 7.495 ( -0.136 -13.755 0.912) 13.785 7.602 ( -0.489 -14.964 1.958) 15.100 7.760 ( 0.329 -7.918 -1.592) 8.083 7.921 ( 0.680 -9.705 -1.706) 9.877 23.400 ( -1.733 -99.532 5.360) 99.691 25.054 ( 1.380 -78.227 -14.323) 79.540 ======================= Grid point 208 (80/322) ======================= q-point: ( 0.54 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.631 -8.928 1.179) 9.027 1.337 ( -4.639 -3.210 17.414) 18.305 2.189 ( -0.194 -5.665 0.829) 5.729 2.206 ( 0.641 -3.059 -0.027) 3.125 2.349 ( 1.210 -6.297 -2.081) 6.742 2.450 ( 0.703 -1.798 -4.546) 4.938 2.502 ( -0.028 -5.751 -1.436) 5.928 3.253 ( 1.617 -1.103 -4.783) 5.168 3.324 ( 0.641 -0.395 -3.081) 3.172 3.635 ( -1.798 -0.456 7.535) 7.760 3.775 ( 2.208 0.583 -8.157) 8.471 4.021 ( -0.200 -0.616 1.414) 1.555 4.246 ( -0.493 0.334 1.692) 1.794 4.954 ( -1.152 0.495 3.875) 4.073 5.116 ( 0.202 1.534 -1.404) 2.090 5.828 ( 1.825 2.464 -4.054) 5.083 7.299 ( 0.066 -17.372 0.017) 17.372 7.418 ( 1.147 -19.096 -0.464) 19.136 7.664 ( -0.038 -4.041 0.508) 4.073 7.857 ( -0.099 -2.505 -0.752) 2.618 7.919 ( -0.137 -17.607 0.729) 17.623 8.168 ( 0.933 -14.199 -0.864) 14.256 24.915 ( -0.965 -53.924 3.564) 54.050 26.225 ( 3.869 -40.418 -8.783) 41.542 ======================= Grid point 209 (81/322) ======================= q-point: ( 0.62 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.581 -1.025 16.706) 17.353 1.409 ( -0.321 -3.317 0.572) 3.381 2.219 ( 0.132 0.106 0.667) 0.688 2.293 ( -0.529 -2.699 1.473) 3.120 2.438 ( 2.060 -2.253 -4.024) 5.051 2.469 ( 0.033 -0.464 -3.380) 3.412 2.581 ( 0.190 -2.105 -1.427) 2.550 3.265 ( 1.441 -0.089 -4.968) 5.173 3.330 ( 0.767 -0.329 -2.950) 3.066 3.643 ( -1.946 -0.181 7.498) 7.748 3.766 ( 2.183 0.248 -7.978) 8.275 4.033 ( -0.329 -0.374 1.529) 1.608 4.237 ( -0.447 0.399 1.540) 1.652 4.942 ( -1.107 0.404 3.911) 4.085 5.096 ( 0.260 0.529 -1.204) 1.341 5.790 ( 1.262 1.444 -3.984) 4.422 7.468 ( -0.157 -2.767 0.700) 2.858 7.619 ( 0.330 -3.314 -0.429) 3.358 7.697 ( -0.115 -0.202 0.530) 0.579 7.881 ( 0.048 -0.578 -0.526) 0.783 8.211 ( 0.001 -8.725 0.111) 8.725 8.390 ( 0.362 -5.449 -0.351) 5.472 25.604 ( -0.598 -16.777 2.450) 16.966 26.707 ( 2.905 -8.519 -9.002) 12.730 ======================= Grid point 210 (82/322) ======================= q-point: (-0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -4.602 1.639 16.996) 17.685 1.406 ( 0.117 3.687 0.224) 3.696 2.204 ( -0.445 1.415 1.350) 2.005 2.294 ( -0.509 2.573 1.470) 3.007 2.440 ( 0.741 2.538 -5.539) 6.138 2.463 ( 1.720 0.635 -2.324) 2.960 2.579 ( 0.314 2.252 -1.364) 2.651 3.259 ( 1.356 0.687 -5.057) 5.280 3.336 ( 0.754 -0.220 -2.693) 2.805 3.644 ( -2.140 0.070 7.341) 7.647 3.765 ( 2.229 -0.159 -8.011) 8.316 4.036 ( -0.519 0.050 1.507) 1.595 4.234 ( -0.408 -0.092 1.641) 1.694 4.943 ( -1.053 -0.447 3.931) 4.094 5.094 ( 0.395 -0.327 -1.167) 1.275 5.774 ( 0.999 0.086 -3.936) 4.062 7.467 ( -0.189 2.965 0.608) 3.033 7.596 ( -0.008 5.796 -0.263) 5.802 7.695 ( -0.154 0.361 0.504) 0.639 7.890 ( 0.190 -0.259 -0.534) 0.623 8.212 ( -0.048 8.623 0.040) 8.623 8.356 ( -0.011 8.331 -0.142) 8.332 25.615 ( -1.014 15.745 3.165) 16.092 26.608 ( 2.789 17.630 -9.477) 20.209 ======================= Grid point 211 (83/322) ======================= q-point: (-0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.312 9.365 0.712) 9.398 1.318 ( -4.705 3.844 18.015) 19.012 2.165 ( -0.314 2.466 1.038) 2.694 2.197 ( -0.490 6.814 1.525) 7.000 2.343 ( 0.405 6.670 -3.183) 7.402 2.446 ( 2.316 1.656 -4.828) 5.605 2.493 ( 0.516 6.315 -1.197) 6.448 3.237 ( 1.378 1.536 -4.999) 5.409 3.339 ( 0.582 -0.055 -2.417) 2.487 3.639 ( -2.304 0.292 7.121) 7.490 3.772 ( 2.369 -0.511 -8.310) 8.657 4.031 ( -0.707 0.261 1.286) 1.490 4.238 ( -0.376 -0.128 2.031) 2.069 4.955 ( -1.016 -0.531 3.921) 4.085 5.111 ( 0.641 -1.329 -1.260) 1.941 5.787 ( 1.113 -1.374 -3.939) 4.318 7.283 ( 0.555 19.132 -0.885) 19.160 7.350 ( -0.053 20.273 0.730) 20.286 7.660 ( -0.132 4.104 0.426) 4.128 7.875 ( 0.154 2.451 -0.724) 2.561 7.922 ( -0.328 17.584 0.796) 17.605 8.126 ( 0.361 12.412 -0.972) 12.455 24.942 ( -2.013 53.219 5.375) 53.528 26.043 ( 5.129 39.061 -11.205) 40.959 ======================= Grid point 212 (84/322) ======================= q-point: (-0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.175 12.413 1.834) 12.549 1.227 ( -4.776 5.515 19.483) 20.805 2.041 ( -0.518 8.177 1.454) 8.322 2.107 ( 0.160 3.363 0.595) 3.419 2.180 ( 0.555 9.221 -2.360) 9.535 2.331 ( 0.405 9.622 -1.066) 9.690 2.413 ( 2.796 2.340 -5.596) 6.679 3.197 ( 1.500 2.580 -4.945) 5.776 3.337 ( 0.289 0.200 -2.133) 2.162 3.628 ( -2.363 0.604 6.673) 7.105 3.785 ( 2.586 -0.707 -8.849) 9.246 4.024 ( -0.805 0.122 0.790) 1.135 4.234 ( -0.584 0.837 3.293) 3.448 4.951 ( -1.149 1.447 4.378) 4.752 5.151 ( 0.929 -2.489 -1.217) 2.922 5.828 ( 1.490 -2.525 -4.032) 4.986 6.647 ( 1.564 43.932 -1.749) 43.994 6.713 ( -0.058 44.237 0.775) 44.244 7.491 ( -0.191 13.757 0.789) 13.781 7.603 ( -0.688 14.934 2.102) 15.097 7.767 ( 0.241 8.940 -1.418) 9.055 7.915 ( 0.511 8.883 -1.916) 9.102 23.432 ( -2.958 99.269 7.639) 99.606 25.085 ( 8.148 58.483 -22.739) 63.275 ======================= Grid point 213 (85/322) ======================= q-point: (-0.08 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.027 13.147 3.326) 13.561 1.105 ( -4.861 7.141 21.405) 23.083 1.893 ( -0.475 6.201 1.063) 6.309 1.986 ( 0.633 9.575 -1.109) 9.659 2.043 ( 0.455 3.476 -0.267) 3.516 2.112 ( 0.702 12.564 -0.398) 12.589 2.368 ( 2.899 2.790 -6.439) 7.593 3.136 ( 1.676 3.607 -5.062) 6.437 3.325 ( -0.038 0.887 -1.583) 1.816 3.607 ( -2.246 1.363 5.569) 6.157 3.801 ( 2.801 -0.742 -9.403) 9.840 4.020 ( -0.660 0.034 0.201) 0.691 4.204 ( -1.419 2.427 5.923) 6.557 4.881 ( -1.720 6.006 6.156) 8.771 5.213 ( 1.100 -3.267 -0.786) 3.535 5.591 ( 0.681 61.386 -1.237) 61.402 5.642 ( -0.140 62.234 -0.732) 62.238 5.887 ( 2.067 -2.895 -4.200) 5.504 7.104 ( -0.394 24.584 1.565) 24.637 7.272 ( -1.326 18.836 4.537) 19.421 7.513 ( 1.039 16.308 -2.580) 16.543 7.758 ( 0.769 7.168 -2.398) 7.597 20.984 ( -3.132 144.761 8.045) 145.018 23.682 ( 5.369 83.384 -57.091) 101.199 ======================= Grid point 217 (86/322) ======================= q-point: ( 0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 6.421 0.000 5.882) 8.708 0.446 ( 0.274 0.000 13.072) 13.075 0.791 ( -5.820 -0.000 29.669) 30.235 1.663 ( 0.277 0.000 1.160) 1.193 1.704 ( 1.608 0.000 -6.611) 6.804 1.908 ( -1.541 -0.000 -0.113) 1.545 2.034 ( -0.793 -0.000 2.342) 2.473 2.166 ( 1.508 0.000 -0.134) 1.514 2.213 ( 1.015 0.000 -8.544) 8.605 2.969 ( 1.993 0.000 -4.996) 5.379 3.071 ( -2.025 -0.000 7.122) 7.404 3.470 ( -0.047 -0.000 -2.436) 2.436 3.870 ( 2.970 0.000 -9.376) 9.835 4.138 ( -2.190 -0.000 4.795) 5.271 4.184 ( -11.323 -0.000 15.322) 19.052 4.353 ( -4.686 -0.000 15.988) 16.661 5.359 ( -0.594 -0.000 0.245) 0.642 5.978 ( 1.185 0.000 -2.585) 2.844 6.063 ( 0.872 0.000 -0.759) 1.156 6.419 ( -6.393 -0.000 13.147) 14.619 6.940 ( 4.232 0.000 -12.076) 12.797 7.530 ( 1.009 0.000 -2.488) 2.685 13.368 ( 1.149 0.000 -2.559) 2.806 13.435 ( 0.469 0.000 -1.421) 1.496 ======================= Grid point 218 (87/322) ======================= q-point: ( 0.31 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 4.606 -4.220 3.952) 7.392 0.850 ( -5.360 -6.491 25.623) 26.970 1.311 ( 0.015 -40.356 4.516) 40.608 1.706 ( 0.296 -4.059 0.717) 4.133 1.765 ( 0.530 -1.806 -2.623) 3.229 1.924 ( -0.926 -2.195 -0.618) 2.461 2.242 ( 0.497 -3.037 -7.965) 8.539 2.781 ( -0.225 -63.448 -1.841) 63.475 2.788 ( -0.309 -58.669 -1.739) 58.695 3.003 ( 2.251 -2.938 -5.256) 6.428 3.169 ( -1.469 -7.408 4.378) 8.730 3.489 ( -0.033 -2.317 -0.435) 2.358 3.850 ( 2.814 1.535 -9.089) 9.637 4.075 ( -2.318 4.256 4.485) 6.603 4.154 ( -5.880 -1.709 12.451) 13.875 4.459 ( -4.134 -10.242 14.697) 18.385 5.338 ( -0.652 1.767 -0.480) 1.944 6.019 ( 2.625 -0.289 -4.611) 5.314 6.164 ( -0.466 -13.379 1.518) 13.473 6.523 ( -4.273 -12.162 11.351) 17.176 6.986 ( 6.264 -7.212 -8.512) 12.794 7.555 ( 0.689 -2.662 -2.775) 3.906 14.780 ( -0.223 -124.922 0.230) 124.922 16.049 ( -28.227 -211.747 -48.448) 219.045 ======================= Grid point 219 (88/322) ======================= q-point: ( 0.38 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.463 -8.324 2.842) 8.917 1.001 ( -5.234 -7.522 22.081) 23.907 1.790 ( -0.238 -4.524 0.088) 4.531 1.827 ( 0.373 -7.626 -0.399) 7.646 1.870 ( 1.381 -16.236 0.260) 16.296 1.984 ( 0.174 -3.992 -1.211) 4.176 2.299 ( 0.199 -3.379 -6.789) 7.586 3.080 ( 2.185 -4.066 -5.257) 6.996 3.273 ( -0.264 -2.935 -0.414) 2.976 3.550 ( -0.760 -3.116 3.940) 5.080 3.823 ( 2.484 0.987 -8.894) 9.287 3.987 ( -0.078 -17.564 0.628) 17.575 4.059 ( -0.980 -17.733 2.985) 18.009 4.217 ( -1.328 -72.902 0.554) 72.916 4.325 ( -2.966 -41.662 4.942) 42.059 4.698 ( -2.842 -11.734 10.288) 15.862 5.285 ( -0.496 2.955 -1.283) 3.260 6.000 ( 2.773 2.383 -4.568) 5.851 6.577 ( -0.532 -26.133 1.950) 26.211 6.861 ( -2.420 -20.464 7.376) 21.887 7.241 ( 3.966 -14.991 -5.586) 16.482 7.634 ( 0.529 -5.309 -2.833) 6.041 17.805 ( -1.388 -165.491 4.049) 165.547 19.921 ( -23.613 -185.736 -47.806) 193.237 ======================= Grid point 220 (89/322) ======================= q-point: ( 0.46 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.279 -11.383 2.274) 11.611 1.144 ( -5.076 -6.416 19.617) 21.255 1.886 ( -0.364 -6.327 0.995) 6.415 2.002 ( 0.605 -9.438 -1.401) 9.561 2.071 ( 0.934 -4.508 -1.440) 4.823 2.150 ( 0.863 -11.451 -0.842) 11.514 2.357 ( 0.130 -3.123 -5.672) 6.476 3.161 ( 1.870 -3.508 -5.035) 6.415 3.304 ( 0.374 -0.846 -2.268) 2.449 3.600 ( -1.284 -1.656 6.412) 6.746 3.804 ( 2.256 0.858 -8.590) 8.922 4.007 ( -0.029 0.043 0.976) 0.978 4.204 ( -1.540 -3.000 4.622) 5.721 4.877 ( -1.776 -6.060 6.253) 8.887 5.217 ( -0.272 3.164 -1.730) 3.616 5.597 ( 0.028 -63.080 -0.404) 63.081 5.625 ( -0.213 -65.964 0.007) 65.964 5.949 ( 2.426 3.161 -4.513) 6.020 7.107 ( -0.403 -24.692 1.693) 24.753 7.267 ( -1.175 -19.190 4.015) 19.641 7.544 ( 1.620 -13.550 -3.257) 14.030 7.758 ( 0.556 -7.128 -2.414) 7.546 20.955 ( -1.701 -144.542 5.896) 144.672 22.954 ( -6.621 -131.422 -26.667) 134.263 ======================= Grid point 221 (90/322) ======================= q-point: ( 0.54 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.776 -11.642 1.580) 11.774 1.257 ( -5.002 -4.870 18.271) 19.559 2.035 ( -0.419 -8.253 1.370) 8.376 2.152 ( 1.205 -3.780 -2.434) 4.655 2.195 ( 0.595 -8.858 -0.958) 8.929 2.350 ( 0.605 -8.662 -1.421) 8.799 2.407 ( 0.031 -2.587 -4.822) 5.472 3.221 ( 1.596 -2.321 -4.955) 5.700 3.315 ( 0.672 -0.457 -2.754) 2.872 3.625 ( -1.533 -0.785 7.364) 7.562 3.788 ( 2.151 0.737 -8.258) 8.565 4.012 ( 0.048 -0.404 1.263) 1.326 4.241 ( -0.846 -0.935 2.378) 2.692 4.948 ( -1.287 -1.484 4.370) 4.791 5.156 ( -0.004 2.536 -1.845) 3.136 5.889 ( 1.938 3.204 -4.363) 5.749 6.678 ( 0.111 -44.421 -0.417) 44.423 6.771 ( 0.694 -46.699 -0.761) 46.711 7.496 ( -0.182 -13.769 0.930) 13.801 7.602 ( -0.450 -14.998 1.976) 15.134 7.759 ( 0.425 -7.670 -1.565) 7.839 7.923 ( 0.606 -9.894 -1.667) 10.052 23.400 ( -1.254 -99.558 5.398) 99.712 25.027 ( 0.975 -81.907 -13.794) 83.067 ======================= Grid point 222 (91/322) ======================= q-point: ( 0.62 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.715 -8.971 0.949) 9.049 1.338 ( -4.840 -3.212 17.270) 18.220 2.189 ( -0.184 -6.161 0.981) 6.242 2.211 ( 0.427 -2.490 -0.578) 2.591 2.354 ( 0.989 -6.480 -1.926) 6.832 2.442 ( 0.338 -1.598 -4.716) 4.991 2.498 ( 0.223 -5.921 -1.454) 6.101 3.255 ( 1.433 -1.067 -4.997) 5.307 3.323 ( 0.803 -0.402 -2.883) 3.020 3.639 ( -1.730 -0.363 7.599) 7.802 3.774 ( 2.130 0.554 -8.027) 8.324 4.024 ( -0.084 -0.537 1.471) 1.568 4.245 ( -0.566 0.295 1.556) 1.682 4.953 ( -1.136 0.480 3.880) 4.071 5.114 ( 0.152 1.430 -1.558) 2.121 5.832 ( 1.392 2.606 -4.219) 5.151 7.299 ( 0.037 -17.386 0.029) 17.386 7.424 ( 0.362 -18.963 -0.891) 18.987 7.665 ( -0.091 -4.027 0.511) 4.060 7.855 ( 0.103 -2.497 -0.683) 2.591 7.920 ( -0.107 -17.575 0.779) 17.593 8.172 ( 0.424 -14.290 -1.084) 14.338 24.917 ( -0.661 -53.882 3.740) 54.015 26.228 ( 1.855 -41.051 -9.979) 42.287 ======================= Grid point 223 (92/322) ======================= q-point: (-0.31 -0.77 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -4.626 -1.095 16.532) 17.202 1.407 ( -0.359 -3.455 0.622) 3.529 2.222 ( -0.008 0.240 0.545) 0.596 2.293 ( -0.453 -2.680 1.526) 3.117 2.447 ( 2.005 -2.073 -5.032) 5.799 2.459 ( -0.255 -0.849 -2.456) 2.611 2.580 ( 0.397 -2.132 -1.416) 2.590 3.266 ( 1.380 -0.060 -5.043) 5.229 3.330 ( 0.815 -0.337 -2.872) 3.004 3.644 ( -1.940 -0.062 7.512) 7.758 3.766 ( 2.159 0.224 -7.941) 8.233 4.034 ( -0.308 -0.269 1.552) 1.604 4.236 ( -0.470 0.356 1.498) 1.610 4.942 ( -1.099 0.377 3.910) 4.079 5.095 ( 0.257 0.450 -1.242) 1.346 5.791 ( 1.094 1.521 -4.043) 4.456 7.468 ( -0.173 -2.742 0.706) 2.836 7.620 ( 0.094 -3.243 -0.518) 3.285 7.697 ( -0.146 -0.186 0.523) 0.574 7.881 ( 0.148 -0.620 -0.495) 0.807 8.211 ( 0.006 -8.689 0.130) 8.690 8.391 ( -0.019 -5.403 -0.534) 5.430 25.606 ( -0.510 -16.646 2.561) 16.849 26.706 ( 1.889 -8.716 -9.616) 13.115 ======================= Grid point 224 (93/322) ======================= q-point: (-0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.588 1.552 17.097) 17.770 1.408 ( 0.116 3.508 0.252) 3.519 2.204 ( -0.275 1.464 1.405) 2.047 2.294 ( -0.399 2.586 1.485) 3.008 2.432 ( 0.554 2.509 -5.057) 5.673 2.473 ( 1.614 0.450 -2.835) 3.293 2.579 ( 0.533 2.219 -1.305) 2.629 3.259 ( 1.409 0.688 -4.991) 5.232 3.336 ( 0.709 -0.199 -2.767) 2.863 3.643 ( -2.128 0.186 7.344) 7.648 3.766 ( 2.241 -0.184 -8.051) 8.359 4.035 ( -0.537 0.166 1.486) 1.589 4.234 ( -0.388 -0.151 1.674) 1.726 4.943 ( -1.062 -0.470 3.931) 4.099 5.095 ( 0.402 -0.413 -1.130) 1.268 5.775 ( 1.184 0.071 -3.880) 4.057 7.467 ( -0.166 2.957 0.616) 3.025 7.597 ( 0.263 5.709 -0.175) 5.718 7.695 ( -0.138 0.369 0.505) 0.641 7.890 ( 0.084 -0.246 -0.565) 0.622 8.211 ( -0.039 8.656 0.036) 8.656 8.357 ( 0.338 8.230 -0.001) 8.237 25.613 ( -1.071 15.935 3.018) 16.253 26.616 ( 3.730 16.905 -8.878) 19.455 ======================= Grid point 225 (94/322) ======================= q-point: (-0.15 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.200 9.243 0.970) 9.296 1.321 ( -4.546 3.732 18.056) 18.990 2.167 ( 0.146 2.434 1.096) 2.673 2.196 ( -0.436 6.822 1.484) 6.995 2.339 ( 0.541 6.464 -3.222) 7.243 2.453 ( 1.724 1.931 -4.584) 5.265 2.497 ( 0.903 5.977 -1.180) 6.159 3.238 ( 1.518 1.509 -4.857) 5.308 3.337 ( 0.481 0.009 -2.625) 2.669 3.636 ( -2.246 0.393 7.159) 7.513 3.773 ( 2.397 -0.543 -8.409) 8.761 4.027 ( -0.728 0.382 1.259) 1.503 4.240 ( -0.343 -0.194 2.083) 2.120 4.956 ( -1.043 -0.542 3.915) 4.088 5.114 ( 0.601 -1.449 -1.162) 1.952 5.790 ( 1.605 -1.441 -3.819) 4.387 7.288 ( 0.722 18.517 -0.538) 18.539 7.355 ( 0.692 20.480 0.756) 20.505 7.660 ( -0.091 4.096 0.434) 4.120 7.874 ( -0.044 2.466 -0.787) 2.589 7.921 ( -0.321 17.620 0.748) 17.639 8.129 ( 0.794 12.637 -0.829) 12.689 24.935 ( -2.076 53.379 4.920) 53.645 26.072 ( 6.474 38.743 -9.832) 40.492 ======================= Grid point 226 (95/322) ======================= q-point: (-0.08 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.088 12.315 2.071) 12.489 1.233 ( -4.558 5.368 19.481) 20.715 2.040 ( -0.516 8.201 1.389) 8.334 2.113 ( 0.694 3.338 0.545) 3.453 2.180 ( 0.686 9.113 -2.245) 9.410 2.334 ( 0.689 9.393 -1.210) 9.496 2.424 ( 2.220 2.392 -5.152) 6.099 3.200 ( 1.697 2.552 -4.779) 5.678 3.333 ( 0.185 0.269 -2.453) 2.475 3.624 ( -2.251 0.705 6.761) 7.161 3.787 ( 2.594 -0.737 -8.937) 9.335 4.018 ( -0.828 0.205 0.850) 1.204 4.237 ( -0.573 0.818 3.261) 3.411 4.951 ( -1.194 1.459 4.352) 4.742 5.156 ( 0.772 -2.642 -1.077) 2.956 5.835 ( 2.155 -2.580 -3.918) 5.162 6.660 ( 1.683 44.201 -1.147) 44.248 6.716 ( 0.465 44.383 0.637) 44.390 7.491 ( -0.149 13.752 0.814) 13.776 7.602 ( -0.654 14.918 2.051) 15.072 7.765 ( 0.211 8.816 -1.487) 8.943 7.915 ( 0.606 8.981 -1.887) 9.197 23.423 ( -2.942 99.324 6.943) 99.609 25.096 ( 6.012 61.554 -20.826) 65.259 ======================= Grid point 231 (96/322) ======================= q-point: ( 0.31 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -0.481 -0.000 11.741) 11.751 0.481 ( 5.751 0.000 3.530) 6.748 0.807 ( -6.725 -0.000 27.764) 28.567 1.668 ( 0.033 0.000 1.196) 1.196 1.703 ( 1.837 0.000 -6.730) 6.976 1.894 ( -1.321 -0.000 -0.105) 1.326 2.033 ( -0.854 -0.000 2.232) 2.390 2.178 ( 1.137 0.000 -0.355) 1.191 2.195 ( 0.219 0.000 -8.853) 8.856 2.976 ( 2.147 0.000 -5.187) 5.614 3.070 ( -2.074 -0.000 7.156) 7.451 3.467 ( 0.693 0.000 -1.941) 2.061 3.873 ( 2.786 0.000 -9.040) 9.459 4.125 ( -8.387 -0.000 15.830) 17.914 4.134 ( -1.862 -0.000 3.788) 4.221 4.352 ( -4.472 -0.000 16.320) 16.921 5.351 ( -1.005 -0.000 -0.816) 1.295 5.983 ( 0.999 0.000 -2.091) 2.317 6.068 ( 0.674 0.000 -1.062) 1.258 6.398 ( -5.229 -0.000 13.377) 14.363 6.947 ( 4.102 0.000 -12.878) 13.515 7.530 ( 0.563 0.000 -3.004) 3.056 13.371 ( 1.042 0.000 -2.725) 2.917 13.435 ( 0.364 0.000 -1.511) 1.554 ======================= Grid point 232 (97/322) ======================= q-point: ( 0.38 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 3.610 -2.811 2.099) 5.034 0.861 ( -6.236 -6.323 24.494) 26.055 1.322 ( -0.358 -40.415 4.222) 40.636 1.710 ( 0.020 -4.084 0.568) 4.123 1.764 ( 0.778 -1.875 -2.517) 3.233 1.914 ( -0.697 -2.543 -0.765) 2.746 2.222 ( 0.006 -3.188 -8.270) 8.863 2.773 ( -0.046 -58.214 -2.519) 58.269 2.784 ( -0.291 -63.164 0.084) 63.165 3.011 ( 2.190 -2.929 -5.586) 6.677 3.167 ( -1.472 -7.253 4.383) 8.601 3.492 ( 0.642 -2.384 0.132) 2.473 3.852 ( 2.540 1.624 -8.741) 9.246 4.064 ( -2.738 3.252 5.450) 6.911 4.136 ( -3.995 -1.775 10.654) 11.516 4.460 ( -3.982 -10.242 15.057) 18.641 5.327 ( -1.009 1.663 -1.468) 2.437 6.031 ( 2.268 -0.555 -4.497) 5.067 6.163 ( -0.560 -13.362 1.498) 13.457 6.514 ( -3.769 -12.536 11.049) 17.130 7.017 ( 5.187 -7.787 -9.905) 13.625 7.552 ( 0.390 -2.637 -3.244) 4.199 14.778 ( -0.139 -124.855 0.084) 124.855 15.734 ( -15.239 -196.429 -28.370) 199.051 ======================= Grid point 233 (98/322) ======================= q-point: ( 0.46 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.671 -7.331 1.801) 7.578 1.005 ( -5.856 -7.470 21.368) 23.381 1.788 ( -0.170 -4.597 0.058) 4.601 1.829 ( 0.217 -7.664 -0.510) 7.684 1.881 ( 0.843 -16.050 0.099) 16.072 1.982 ( 0.252 -4.352 -1.611) 4.648 2.281 ( -0.025 -3.596 -6.996) 7.866 3.086 ( 1.886 -4.016 -5.548) 7.104 3.270 ( -0.100 -2.951 -0.193) 2.959 3.556 ( -0.334 -3.049 4.263) 5.252 3.823 ( 2.221 1.055 -8.492) 8.841 3.986 ( -0.330 -17.786 0.534) 17.797 4.060 ( -0.510 -18.060 2.939) 18.305 4.208 ( -1.077 -71.307 1.296) 71.327 4.312 ( -2.235 -43.520 4.513) 43.811 4.699 ( -2.782 -11.669 10.512) 15.951 5.275 ( -0.721 2.778 -2.088) 3.549 6.012 ( 2.207 2.337 -4.637) 5.642 6.577 ( -0.545 -26.182 1.971) 26.262 6.857 ( -2.254 -20.619 7.165) 21.945 7.260 ( 3.179 -14.346 -6.246) 15.967 7.631 ( 0.422 -5.420 -3.094) 6.255 17.804 ( -1.060 -165.500 3.978) 165.551 19.643 ( -10.254 -190.784 -33.438) 193.963 ======================= Grid point 234 (99/322) ======================= q-point: ( 0.54 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.703 -11.050 1.714) 11.205 1.144 ( -5.548 -6.411 19.193) 20.982 1.885 ( -0.277 -6.335 1.046) 6.427 2.003 ( 0.460 -9.482 -1.520) 9.614 2.074 ( 0.679 -4.682 -1.943) 5.115 2.154 ( 0.425 -11.286 -0.993) 11.337 2.342 ( 0.069 -3.313 -5.831) 6.707 3.163 ( 1.519 -3.478 -5.364) 6.571 3.303 ( 0.638 -0.856 -1.909) 2.188 3.606 ( -1.045 -1.580 6.577) 6.844 3.803 ( 2.079 0.857 -8.261) 8.562 4.010 ( 0.247 -0.015 0.995) 1.025 4.201 ( -1.582 -3.057 4.341) 5.540 4.877 ( -1.748 -6.015 6.349) 8.919 5.208 ( -0.377 2.945 -2.284) 3.745 5.596 ( -0.129 -63.423 -0.492) 63.425 5.623 ( -0.139 -66.180 0.022) 66.180 5.958 ( 1.781 3.291 -4.669) 5.984 7.107 ( -0.444 -24.704 1.703) 24.766 7.266 ( -1.113 -19.291 3.966) 19.726 7.549 ( 1.320 -13.176 -3.389) 13.669 7.757 ( 0.550 -7.269 -2.467) 7.696 20.956 ( -1.276 -144.595 6.060) 144.728 22.852 ( -0.333 -136.158 -22.530) 138.010 ======================= Grid point 235 (100/322) ======================= q-point: (-0.38 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.925 -11.596 1.218) 11.696 1.255 ( -5.343 -4.914 18.039) 19.445 2.035 ( -0.324 -8.250 1.431) 8.380 2.155 ( 0.887 -3.815 -2.794) 4.811 2.197 ( 0.290 -8.969 -1.055) 9.036 2.351 ( 0.168 -8.672 -1.418) 8.788 2.395 ( 0.300 -2.649 -5.060) 5.719 3.221 ( 1.293 -2.330 -5.271) 5.906 3.315 ( 0.906 -0.423 -2.396) 2.596 3.631 ( -1.439 -0.690 7.445) 7.614 3.786 ( 2.046 0.705 -8.057) 8.342 4.017 ( 0.207 -0.340 1.309) 1.368 4.239 ( -0.927 -1.004 2.199) 2.589 4.947 ( -1.254 -1.469 4.402) 4.807 5.150 ( -0.033 2.354 -2.154) 3.191 5.892 ( 1.264 3.279 -4.561) 5.757 6.678 ( 0.096 -44.464 -0.426) 44.466 6.770 ( -0.277 -46.810 -1.302) 46.829 7.496 ( -0.245 -13.782 0.929) 13.816 7.604 ( -0.438 -15.029 2.017) 15.170 7.760 ( 0.524 -7.552 -1.507) 7.718 7.924 ( 0.505 -9.959 -1.658) 10.108 23.404 ( -0.917 -99.553 5.774) 99.724 24.999 ( 1.288 -83.275 -14.385) 84.518 ======================= Grid point 236 (101/322) ======================= q-point: (-0.31 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.697 -9.060 0.694) 9.114 1.335 ( -5.049 -3.295 17.177) 18.204 2.191 ( -0.091 -6.408 1.146) 6.510 2.211 ( -0.041 -2.238 -0.766) 2.366 2.357 ( 0.729 -6.670 -1.907) 6.976 2.431 ( 0.161 -1.678 -5.022) 5.297 2.498 ( 0.553 -5.889 -1.467) 6.094 3.254 ( 1.246 -1.111 -5.221) 5.481 3.324 ( 0.941 -0.340 -2.622) 2.806 3.642 ( -1.733 -0.245 7.621) 7.820 3.773 ( 2.079 0.516 -7.934) 8.218 4.027 ( -0.043 -0.422 1.517) 1.575 4.243 ( -0.620 0.230 1.462) 1.605 4.953 ( -1.105 0.474 3.887) 4.068 5.111 ( 0.158 1.301 -1.687) 2.136 5.832 ( 0.904 2.611 -4.361) 5.162 7.300 ( -0.014 -17.397 0.021) 17.397 7.421 ( -0.467 -19.201 -1.243) 19.247 7.665 ( -0.156 -4.018 0.505) 4.053 7.856 ( 0.330 -2.477 -0.613) 2.573 7.921 ( -0.107 -17.549 0.835) 17.569 8.170 ( -0.112 -14.149 -1.293) 14.209 24.922 ( -0.496 -53.757 4.135) 53.919 26.208 ( 0.078 -41.548 -11.397) 43.083 ======================= Grid point 237 (102/322) ======================= q-point: (-0.23 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -4.660 -1.231 16.360) 17.055 1.405 ( -0.354 -3.606 0.673) 3.685 2.222 ( -0.307 0.206 0.642) 0.741 2.293 ( -0.315 -2.687 1.554) 3.120 2.446 ( 0.973 -0.363 -6.377) 6.461 2.455 ( 0.596 -2.795 -1.330) 3.152 2.581 ( 0.569 -2.145 -1.387) 2.617 3.265 ( 1.322 -0.116 -5.117) 5.286 3.331 ( 0.851 -0.273 -2.780) 2.920 3.645 ( -1.960 0.054 7.507) 7.759 3.766 ( 2.143 0.193 -7.915) 8.203 4.035 ( -0.312 -0.146 1.568) 1.606 4.236 ( -0.485 0.286 1.474) 1.578 4.942 ( -1.086 0.362 3.911) 4.075 5.094 ( 0.271 0.359 -1.271) 1.349 5.790 ( 0.925 1.412 -4.088) 4.423 7.469 ( -0.194 -2.735 0.703) 2.831 7.618 ( -0.146 -3.439 -0.582) 3.491 7.697 ( -0.173 -0.197 0.518) 0.581 7.881 ( 0.247 -0.556 -0.470) 0.769 8.212 ( 0.000 -8.640 0.143) 8.642 8.387 ( -0.371 -5.722 -0.663) 5.772 25.608 ( -0.483 -16.418 2.735) 16.651 26.693 ( 1.031 -9.915 -10.179) 14.247 ======================= Grid point 238 (103/322) ======================= q-point: (-0.15 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -4.572 1.417 17.106) 17.763 1.409 ( 0.060 3.339 0.331) 3.356 2.206 ( -0.159 1.305 1.453) 1.959 2.294 ( -0.306 2.634 1.487) 3.040 2.424 ( 0.712 2.367 -4.814) 5.411 2.479 ( 1.304 0.390 -3.111) 3.396 2.582 ( 0.628 2.160 -1.269) 2.583 3.260 ( 1.459 0.625 -4.934) 5.183 3.335 ( 0.678 -0.123 -2.852) 2.934 3.642 ( -2.100 0.279 7.364) 7.663 3.766 ( 2.243 -0.212 -8.075) 8.383 4.033 ( -0.525 0.289 1.475) 1.592 4.235 ( -0.380 -0.228 1.685) 1.742 4.943 ( -1.076 -0.482 3.929) 4.102 5.095 ( 0.389 -0.496 -1.109) 1.276 5.777 ( 1.347 -0.123 -3.847) 4.078 7.467 ( -0.152 2.923 0.633) 2.995 7.600 ( 0.489 5.329 -0.140) 5.354 7.695 ( -0.119 0.359 0.512) 0.637 7.889 ( -0.007 -0.139 -0.585) 0.602 8.211 ( -0.032 8.685 0.045) 8.685 8.362 ( 0.639 7.838 0.076) 7.864 25.610 ( -1.060 16.190 2.830) 16.469 26.633 ( 4.412 15.306 -8.395) 18.006 ======================= Grid point 239 (104/322) ======================= q-point: (-0.08 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.005 9.111 1.200) 9.190 1.326 ( -4.445 3.580 17.966) 18.851 2.173 ( 0.516 2.360 0.992) 2.611 2.196 ( -0.378 6.805 1.417) 6.961 2.337 ( 0.777 6.279 -3.078) 7.036 2.455 ( 1.326 2.233 -4.420) 5.127 2.502 ( 0.877 5.586 -1.260) 5.793 3.241 ( 1.647 1.439 -4.733) 5.213 3.334 ( 0.430 0.107 -2.850) 2.884 3.634 ( -2.153 0.468 7.239) 7.567 3.774 ( 2.393 -0.572 -8.442) 8.794 4.024 ( -0.668 0.503 1.266) 1.517 4.242 ( -0.339 -0.259 2.061) 2.105 4.956 ( -1.081 -0.543 3.902) 4.085 5.116 ( 0.517 -1.543 -1.126) 1.979 5.798 ( 1.985 -1.639 -3.769) 4.564 7.293 ( 0.513 17.831 -0.240) 17.840 7.368 ( 1.476 20.518 0.606) 20.580 7.661 ( -0.054 4.083 0.450) 4.108 7.870 ( -0.192 2.480 -0.827) 2.621 7.920 ( -0.291 17.646 0.711) 17.663 8.137 ( 1.150 13.016 -0.712) 13.086 24.928 ( -1.960 53.570 4.409) 53.786 26.114 ( 7.065 38.802 -8.698) 40.388 ======================= Grid point 245 (105/322) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -1.747 -0.000 10.668) 10.810 0.535 ( 3.840 0.000 1.173) 4.016 0.809 ( -7.880 -0.000 26.776) 27.911 1.669 ( -0.305 -0.000 1.010) 1.055 1.704 ( 2.090 0.000 -6.640) 6.962 1.882 ( -0.879 -0.000 -0.109) 0.885 2.030 ( -0.870 -0.000 2.154) 2.323 2.171 ( 0.035 0.000 -9.372) 9.372 2.185 ( 0.630 0.000 -0.611) 0.877 2.982 ( 1.993 0.000 -5.562) 5.908 3.069 ( -2.108 -0.000 7.237) 7.537 3.473 ( 1.459 0.000 -1.293) 1.950 3.875 ( 2.477 0.000 -8.622) 8.970 4.088 ( -7.194 -0.000 14.435) 16.128 4.135 ( -0.659 -0.000 4.407) 4.456 4.353 ( -4.294 -0.000 16.773) 17.315 5.335 ( -1.277 -0.000 -1.948) 2.329 5.987 ( 0.844 0.000 -1.720) 1.916 6.070 ( 0.459 0.000 -1.297) 1.376 6.387 ( -4.465 -0.000 13.274) 14.004 6.952 ( 4.164 0.000 -13.097) 13.743 7.525 ( 0.236 0.000 -3.633) 3.641 13.373 ( 0.877 0.000 -2.905) 3.035 13.434 ( 0.273 0.000 -1.631) 1.654 ======================= Grid point 246 (106/322) ======================= q-point: ( 0.46 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 1.572 -1.880 0.351) 2.476 0.860 ( -7.192 -6.374 23.950) 25.806 1.327 ( -0.892 -40.496 3.938) 40.696 1.709 ( -0.283 -4.083 0.306) 4.104 1.766 ( 0.971 -1.929 -2.287) 3.146 1.907 ( -0.252 -2.756 -0.871) 2.901 2.199 ( 0.106 -3.353 -8.755) 9.376 2.768 ( 0.245 -56.761 -2.096) 56.800 2.781 ( -0.270 -64.209 0.121) 64.209 3.015 ( 1.868 -2.925 -6.017) 6.946 3.165 ( -1.416 -7.200 4.560) 8.640 3.502 ( 1.232 -2.328 0.668) 2.718 3.853 ( 2.214 1.692 -8.342) 8.795 4.051 ( -3.146 1.951 6.538) 7.513 4.132 ( -2.260 -1.068 8.974) 9.316 4.462 ( -3.879 -10.188 15.452) 18.911 5.311 ( -1.130 1.520 -2.469) 3.112 6.039 ( 1.855 -0.603 -4.439) 4.849 6.162 ( -0.621 -13.475 1.506) 13.573 6.508 ( -3.365 -12.696 10.802) 17.006 7.034 ( 4.028 -8.140 -10.606) 13.964 7.545 ( 0.234 -2.714 -3.745) 4.631 14.778 ( -0.054 -124.901 0.031) 124.901 15.585 ( -2.585 -188.349 -18.405) 189.264 ======================= Grid point 247 (107/322) ======================= q-point: (-0.46 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.531 -6.843 0.914) 6.924 1.001 ( -6.518 -7.543 20.989) 23.236 1.787 ( -0.084 -4.828 0.035) 4.829 1.829 ( 0.053 -7.650 -0.617) 7.675 1.886 ( 0.041 -15.779 -0.097) 15.780 1.980 ( 0.442 -4.522 -1.827) 4.897 2.262 ( 0.218 -3.793 -7.387) 8.307 3.087 ( 1.476 -3.974 -5.893) 7.259 3.270 ( 0.066 -3.058 0.222) 3.067 3.566 ( -0.019 -2.870 4.454) 5.299 3.821 ( 1.991 1.045 -8.149) 8.453 3.983 ( -0.564 -18.779 0.324) 18.791 4.065 ( -0.115 -17.136 2.922) 17.384 4.204 ( -0.483 -70.386 1.748) 70.410 4.305 ( -1.657 -44.696 4.244) 44.927 4.700 ( -2.751 -11.563 10.713) 16.001 5.261 ( -0.700 2.568 -2.827) 3.882 6.018 ( 1.524 2.354 -4.710) 5.482 6.577 ( -0.553 -26.222 1.986) 26.303 6.855 ( -2.095 -20.715 7.033) 21.976 7.269 ( 2.076 -14.094 -6.606) 15.703 7.626 ( 0.431 -5.597 -3.341) 6.533 17.805 ( -0.812 -165.617 4.160) 165.671 19.540 ( 5.780 -191.883 -26.323) 193.767 ======================= Grid point 248 (108/322) ======================= q-point: (-0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -1.142 -10.979 1.253) 11.110 1.139 ( -6.024 -6.495 18.989) 20.953 1.886 ( -0.180 -6.339 1.106) 6.437 2.003 ( 0.283 -9.575 -1.577) 9.709 2.073 ( 0.360 -4.697 -2.202) 5.200 2.153 ( -0.037 -11.237 -1.135) 11.295 2.328 ( 0.361 -3.481 -6.180) 7.102 3.161 ( 1.176 -3.474 -5.669) 6.752 3.306 ( 0.838 -0.875 -1.468) 1.904 3.614 ( -0.938 -1.446 6.639) 6.859 3.800 ( 1.976 0.842 -8.039) 8.321 4.016 ( 0.380 -0.099 0.919) 1.000 4.197 ( -1.560 -3.037 4.252) 5.453 4.877 ( -1.722 -5.962 6.417) 8.927 5.198 ( -0.289 2.712 -2.730) 3.858 5.592 ( -0.276 -63.800 -0.715) 63.804 5.622 ( -0.016 -65.641 0.030) 65.641 5.959 ( 1.047 3.343 -4.807) 5.948 7.107 ( -0.484 -24.699 1.695) 24.761 7.266 ( -1.068 -19.370 3.970) 19.802 7.551 ( 0.905 -13.145 -3.414) 13.611 7.756 ( 0.581 -7.417 -2.525) 7.856 20.962 ( -1.027 -144.685 6.540) 144.836 22.828 ( 7.769 -135.826 -21.606) 137.753 ======================= Grid point 249 (109/322) ======================= q-point: (-0.31 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.964 -11.657 0.907) 11.732 1.250 ( -5.649 -5.030 17.947) 19.476 2.036 ( -0.234 -8.256 1.493) 8.393 2.154 ( 0.293 -3.686 -2.543) 4.488 2.196 ( 0.148 -9.198 -1.343) 9.297 2.346 ( -0.158 -8.222 -1.943) 8.450 2.387 ( 0.781 -3.260 -4.986) 6.008 3.218 ( 1.064 -2.379 -5.507) 6.092 3.319 ( 1.043 -0.362 -2.041) 2.321 3.637 ( -1.474 -0.566 7.449) 7.615 3.785 ( 2.008 0.671 -7.948) 8.226 4.023 ( 0.236 -0.253 1.314) 1.359 4.235 ( -0.960 -1.064 2.136) 2.572 4.947 ( -1.216 -1.453 4.420) 4.809 5.144 ( 0.059 2.171 -2.366) 3.212 5.889 ( 0.573 3.274 -4.707) 5.762 6.677 ( 0.005 -44.533 -0.509) 44.535 6.759 ( -1.067 -46.583 -1.696) 46.626 7.496 ( -0.308 -13.790 0.907) 13.823 7.605 ( -0.458 -15.053 2.070) 15.201 7.761 ( 0.593 -7.592 -1.434) 7.749 7.924 ( 0.405 -9.886 -1.675) 10.035 23.412 ( -0.797 -99.519 6.406) 99.728 24.976 ( 2.462 -82.108 -15.859) 83.662 ======================= Grid point 250 (110/322) ======================= q-point: (-0.23 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.570 -9.181 0.470) 9.210 1.331 ( -5.210 -3.439 17.157) 18.257 2.193 ( -0.060 -6.585 1.317) 6.716 2.206 ( -0.593 -2.129 -0.587) 2.287 2.358 ( 0.526 -6.821 -1.937) 7.110 2.420 ( 0.509 -1.846 -5.458) 5.784 2.500 ( 0.601 -5.836 -1.484) 6.052 3.251 ( 1.123 -1.207 -5.367) 5.614 3.327 ( 1.008 -0.236 -2.392) 2.606 3.645 ( -1.817 -0.130 7.590) 7.805 3.772 ( 2.070 0.479 -7.891) 8.172 4.031 ( -0.080 -0.300 1.541) 1.572 4.241 ( -0.641 0.154 1.435) 1.579 4.953 ( -1.069 0.476 3.892) 4.064 5.108 ( 0.222 1.176 -1.759) 2.128 5.827 ( 0.466 2.479 -4.447) 5.112 7.299 ( -0.109 -17.439 -0.056) 17.439 7.409 ( -1.157 -19.722 -1.418) 19.807 7.664 ( -0.210 -4.021 0.493) 4.056 7.858 ( 0.524 -2.449 -0.561) 2.567 7.922 ( -0.135 -17.533 0.881) 17.556 8.163 ( -0.518 -13.810 -1.424) 13.893 24.929 ( -0.510 -53.578 4.659) 53.783 26.170 ( -1.012 -41.796 -12.699) 43.694 ======================= Grid point 251 (111/322) ======================= q-point: (-0.15 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.668 -1.390 16.278) 16.991 1.404 ( -0.298 -3.747 0.668) 3.817 2.219 ( -0.646 -0.015 0.881) 1.093 2.295 ( -0.230 -2.688 1.553) 3.113 2.438 ( 0.938 -0.333 -5.493) 5.583 2.458 ( 0.794 -3.019 -2.442) 3.963 2.583 ( 0.551 -2.162 -1.378) 2.623 3.264 ( 1.283 -0.233 -5.168) 5.329 3.332 ( 0.869 -0.158 -2.699) 2.840 3.646 ( -2.001 0.138 7.482) 7.746 3.765 ( 2.141 0.164 -7.904) 8.190 4.036 ( -0.338 -0.034 1.576) 1.612 4.235 ( -0.489 0.203 1.473) 1.565 4.942 ( -1.072 0.361 3.914) 4.074 5.093 ( 0.295 0.278 -1.285) 1.347 5.787 ( 0.792 1.143 -4.108) 4.337 7.468 ( -0.216 -2.757 0.688) 2.850 7.614 ( -0.339 -3.876 -0.605) 3.937 7.697 ( -0.188 -0.227 0.517) 0.595 7.883 ( 0.324 -0.402 -0.455) 0.688 8.212 ( -0.015 -8.595 0.142) 8.596 8.380 ( -0.609 -6.311 -0.704) 6.379 25.611 ( -0.524 -16.146 2.933) 16.419 26.672 ( 0.535 -11.840 -10.559) 15.874 ======================= Grid point 252 (112/322) ======================= q-point: (-0.08 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.554 1.262 17.049) 17.692 1.410 ( -0.034 3.222 0.420) 3.249 2.208 ( -0.059 0.973 1.416) 1.719 2.295 ( -0.320 2.700 1.468) 3.090 2.421 ( 1.128 2.233 -4.555) 5.196 2.482 ( 0.974 0.376 -3.315) 3.476 2.584 ( 0.519 2.099 -1.283) 2.514 3.261 ( 1.495 0.504 -4.896) 5.144 3.334 ( 0.668 -0.006 -2.931) 3.006 3.641 ( -2.061 0.330 7.397) 7.685 3.766 ( 2.238 -0.237 -8.076) 8.384 4.032 ( -0.487 0.388 1.475) 1.601 4.236 ( -0.383 -0.307 1.670) 1.741 4.943 ( -1.090 -0.480 3.924) 4.101 5.096 ( 0.359 -0.558 -1.110) 1.293 5.780 ( 1.447 -0.452 -3.844) 4.133 7.467 ( -0.145 2.881 0.652) 2.958 7.605 ( 0.617 4.762 -0.163) 4.804 7.696 ( -0.101 0.331 0.523) 0.627 7.887 ( -0.062 0.037 -0.591) 0.595 8.211 ( -0.026 8.711 0.059) 8.712 8.370 ( 0.824 7.217 0.074) 7.264 25.608 ( -0.986 16.453 2.643) 16.693 26.655 ( 4.683 13.198 -8.139) 16.197 ======================= Grid point 259 (113/322) ======================= q-point: (-0.54 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -3.291 -0.000 9.935) 10.466 0.559 ( 0.746 0.000 -1.064) 1.300 0.799 ( -8.698 -0.000 26.898) 28.269 1.667 ( -0.546 -0.000 0.667) 0.862 1.708 ( 2.193 0.000 -6.385) 6.751 1.876 ( -0.284 -0.000 -0.113) 0.306 2.027 ( -0.836 -0.000 2.126) 2.284 2.147 ( 0.500 0.000 -10.019) 10.031 2.187 ( 0.074 0.000 -0.854) 0.857 2.985 ( 1.646 0.000 -6.032) 6.253 3.068 ( -2.127 -0.000 7.434) 7.732 3.488 ( 2.017 0.000 -0.705) 2.136 3.875 ( 2.130 0.000 -8.168) 8.441 4.062 ( -5.622 -0.000 13.646) 14.759 4.144 ( -0.244 -0.000 4.880) 4.886 4.358 ( -4.202 -0.000 17.230) 17.735 5.316 ( -1.240 -0.000 -2.965) 3.213 5.990 ( 0.696 0.000 -1.465) 1.622 6.070 ( 0.251 0.000 -1.500) 1.521 6.382 ( -3.824 -0.000 13.064) 13.612 6.958 ( 4.140 0.000 -12.926) 13.573 7.516 ( 0.097 0.000 -4.228) 4.229 13.373 ( 0.687 0.000 -3.059) 3.135 13.432 ( 0.223 0.000 -1.753) 1.768 ======================= Grid point 260 (114/322) ======================= q-point: (-0.46 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -1.152 -1.661 -0.948) 2.233 0.851 ( -7.942 -6.507 23.995) 26.100 1.325 ( -1.478 -40.533 3.718) 40.730 1.706 ( -0.486 -4.081 0.068) 4.110 1.770 ( 0.997 -1.914 -2.064) 2.986 1.904 ( 0.312 -2.838 -0.873) 2.986 2.178 ( 0.763 -3.476 -9.358) 10.012 2.766 ( 0.651 -56.203 -2.077) 56.245 2.779 ( -0.198 -64.815 0.066) 64.815 3.015 ( 1.474 -2.929 -6.397) 7.188 3.164 ( -1.337 -7.258 4.845) 8.829 3.518 ( 1.543 -2.167 1.017) 2.848 3.851 ( 1.896 1.725 -7.976) 8.377 4.039 ( -2.905 1.109 7.299) 7.934 4.139 ( -1.207 -0.416 8.140) 8.240 4.467 ( -3.858 -10.092 15.782) 19.126 5.292 ( -0.919 1.359 -3.270) 3.658 6.043 ( 1.382 -0.429 -4.467) 4.695 6.160 ( -0.626 -13.691 1.532) 13.791 6.506 ( -2.979 -12.703 10.640) 16.836 7.038 ( 2.644 -8.034 -10.751) 13.679 7.537 ( 0.257 -2.878 -4.157) 5.063 14.778 ( 0.013 -125.046 0.082) 125.046 15.580 ( 10.914 -188.045 -15.218) 188.975 ======================= Grid point 261 (115/322) ======================= q-point: (-0.38 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.829 -7.001 0.400) 7.247 0.991 ( -7.095 -7.681 20.999) 23.458 1.786 ( 0.011 -5.228 0.024) 5.228 1.827 ( -0.103 -7.567 -0.702) 7.601 1.882 ( -0.739 -15.432 -0.292) 15.453 1.981 ( 0.570 -4.488 -1.735) 4.845 2.247 ( 0.891 -3.908 -7.932) 8.887 3.084 ( 1.142 -3.954 -6.137) 7.389 3.272 ( 0.167 -3.221 0.667) 3.293 3.579 ( 0.061 -2.624 4.475) 5.188 3.818 ( 1.833 0.925 -7.959) 8.220 3.977 ( -0.667 -19.764 0.064) 19.776 4.073 ( 0.109 -15.761 2.945) 16.034 4.208 ( 0.320 -70.715 1.760) 70.737 4.303 ( -1.124 -44.528 4.375) 44.756 4.702 ( -2.758 -11.442 10.836) 15.998 5.247 ( -0.404 2.365 -3.328) 4.103 6.017 ( 0.800 2.447 -4.794) 5.442 6.577 ( -0.558 -26.242 1.991) 26.324 6.854 ( -1.933 -20.744 7.007) 21.981 7.265 ( 0.791 -14.253 -6.630) 15.740 7.622 ( 0.543 -5.796 -3.522) 6.804 17.810 ( -0.699 -165.815 4.554) 165.879 19.616 ( 24.176 -189.685 -26.000) 192.979 ======================= Grid point 262 (116/322) ======================= q-point: (-0.31 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.460 -11.196 1.013) 11.336 1.129 ( -6.393 -6.642 19.040) 21.155 1.888 ( -0.102 -6.335 1.165) 6.442 2.000 ( 0.102 -9.686 -1.576) 9.813 2.069 ( 0.006 -4.569 -2.101) 5.029 2.147 ( -0.414 -11.318 -1.239) 11.394 2.317 ( 0.977 -3.583 -6.683) 7.645 3.156 ( 0.971 -3.495 -5.831) 6.867 3.311 ( 0.909 -0.895 -1.090) 1.678 3.623 ( -1.030 -1.282 6.580) 6.783 3.798 ( 1.975 0.813 -7.981) 8.262 4.022 ( 0.364 -0.217 0.760) 0.870 4.194 ( -1.464 -2.913 4.397) 5.474 4.878 ( -1.706 -5.915 6.438) 8.908 5.189 ( -0.006 2.519 -2.958) 3.886 5.587 ( -0.291 -63.818 -1.058) 63.827 5.623 ( 0.153 -64.770 0.074) 64.771 5.952 ( 0.342 3.308 -4.907) 5.928 7.107 ( -0.515 -24.677 1.672) 24.739 7.267 ( -1.041 -19.411 4.026) 19.852 7.549 ( 0.454 -13.469 -3.332) 13.882 7.755 ( 0.635 -7.536 -2.575) 7.990 20.971 ( -1.008 -144.791 7.232) 144.975 22.889 ( 16.984 -130.464 -23.797) 133.700 ======================= Grid point 263 (117/322) ======================= q-point: (-0.23 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.867 -11.811 0.723) 11.865 1.242 ( -5.835 -5.192 18.016) 19.636 2.038 ( -0.196 -8.261 1.540) 8.405 2.147 ( -0.449 -3.549 -1.815) 4.012 2.193 ( 0.173 -9.386 -1.695) 9.540 2.339 ( 0.088 -7.745 -2.587) 8.166 2.383 ( 1.029 -3.945 -4.889) 6.366 3.213 ( 0.966 -2.446 -5.595) 6.182 3.324 ( 1.061 -0.290 -1.782) 2.094 3.642 ( -1.648 -0.445 7.362) 7.558 3.783 ( 2.052 0.643 -7.947) 8.233 4.028 ( 0.148 -0.168 1.268) 1.288 4.232 ( -0.933 -1.090 2.214) 2.638 4.947 ( -1.182 -1.441 4.419) 4.796 5.139 ( 0.258 2.032 -2.428) 3.176 5.879 ( 0.015 3.186 -4.770) 5.737 6.674 ( -0.252 -44.642 -0.875) 44.651 6.742 ( -1.358 -46.015 -1.641) 46.064 7.495 ( -0.350 -13.788 0.872) 13.820 7.606 ( -0.506 -15.063 2.122) 15.220 7.763 ( 0.609 -7.784 -1.364) 7.926 7.923 ( 0.332 -9.702 -1.714) 9.858 23.422 ( -0.926 -99.463 7.147) 99.724 24.964 ( 4.462 -78.557 -17.860) 80.685 ======================= Grid point 264 (118/322) ======================= q-point: (-0.15 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.351 -9.307 0.319) 9.319 1.326 ( -5.277 -3.610 17.228) 18.377 2.196 ( -0.176 -5.687 0.981) 5.774 2.197 ( -1.018 -3.160 0.290) 3.333 2.357 ( 0.398 -6.918 -2.013) 7.216 2.413 ( 1.271 -1.933 -5.820) 6.263 2.501 ( 0.399 -5.879 -1.507) 6.082 3.248 ( 1.079 -1.315 -5.410) 5.671 3.331 ( 1.001 -0.122 -2.237) 2.454 3.647 ( -1.963 -0.054 7.501) 7.753 3.771 ( 2.106 0.454 -7.898) 8.187 4.034 ( -0.181 -0.197 1.533) 1.556 4.239 ( -0.623 0.088 1.484) 1.612 4.953 ( -1.039 0.483 3.896) 4.061 5.106 ( 0.328 1.091 -1.757) 2.094 5.818 ( 0.176 2.238 -4.458) 4.992 7.297 ( -0.247 -17.606 -0.274) 17.610 7.391 ( -1.520 -20.298 -1.289) 20.395 7.664 ( -0.238 -4.037 0.475) 4.072 7.862 ( 0.633 -2.425 -0.538) 2.564 7.923 ( -0.181 -17.526 0.906) 17.550 8.153 ( -0.701 -13.357 -1.448) 13.453 24.936 ( -0.705 -53.384 5.184) 53.640 26.123 ( -1.135 -41.700 -13.586) 43.872 ======================= Grid point 265 (119/322) ======================= q-point: (-0.08 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.656 -1.530 16.354) 17.072 1.403 ( -0.193 -3.851 0.568) 3.897 2.214 ( -0.842 -0.384 1.114) 1.448 2.296 ( -0.307 -2.664 1.530) 3.088 2.436 ( 1.557 -0.374 -5.347) 5.581 2.458 ( 0.598 -3.079 -2.695) 4.135 2.584 ( 0.377 -2.194 -1.394) 2.627 3.263 ( 1.268 -0.377 -5.184) 5.350 3.333 ( 0.864 -0.025 -2.646) 2.784 3.646 ( -2.053 0.165 7.442) 7.722 3.765 ( 2.155 0.143 -7.908) 8.198 4.037 ( -0.380 0.043 1.572) 1.617 4.234 ( -0.479 0.128 1.496) 1.576 4.942 ( -1.060 0.372 3.919) 4.076 5.093 ( 0.322 0.228 -1.278) 1.338 5.783 ( 0.724 0.775 -4.098) 4.233 7.468 ( -0.230 -2.807 0.663) 2.894 7.608 ( -0.437 -4.469 -0.577) 4.527 7.696 ( -0.188 -0.265 0.516) 0.610 7.885 ( 0.361 -0.196 -0.456) 0.613 8.212 ( -0.034 -8.568 0.123) 8.569 8.372 ( -0.680 -7.015 -0.645) 7.077 25.613 ( -0.624 -15.893 3.108) 16.206 26.648 ( 0.516 -14.047 -10.671) 17.648 ======================= Grid point 273 (120/322) ======================= q-point: (-0.46 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -4.881 -0.000 9.633) 10.800 0.543 ( -3.029 -0.000 -2.218) 3.755 0.785 ( -9.049 -0.000 27.453) 28.906 1.663 ( -0.672 -0.000 0.470) 0.820 1.712 ( 2.150 0.000 -6.252) 6.611 1.876 ( 0.380 0.000 -0.101) 0.394 2.025 ( -0.759 -0.000 2.156) 2.286 2.129 ( 1.485 0.000 -10.675) 10.777 2.182 ( -0.456 -0.000 -1.042) 1.137 2.982 ( 1.314 0.000 -6.398) 6.532 3.067 ( -2.129 -0.000 7.658) 7.948 3.507 ( 2.156 0.000 -0.355) 2.185 3.873 ( 1.865 0.000 -7.771) 7.991 4.053 ( -3.710 -0.000 13.840) 14.329 4.156 ( -0.112 -0.000 5.282) 5.283 4.363 ( -4.220 -0.000 17.584) 18.083 5.297 ( -0.814 -0.000 -3.641) 3.730 5.992 ( 0.558 0.000 -1.329) 1.442 6.067 ( 0.055 0.000 -1.677) 1.678 6.383 ( -3.170 -0.000 12.916) 13.299 6.963 ( 3.870 0.000 -12.598) 13.179 7.505 ( 0.157 0.000 -4.651) 4.653 13.370 ( 0.507 0.000 -3.153) 3.194 13.429 ( 0.234 0.000 -1.849) 1.864 ======================= Grid point 274 (121/322) ======================= q-point: (-0.38 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -3.855 -2.264 -1.308) 4.658 0.835 ( -8.517 -6.612 24.412) 26.687 1.318 ( -2.004 -40.527 3.604) 40.737 1.701 ( -0.569 -4.096 -0.053) 4.136 1.774 ( 0.896 -1.806 -1.942) 2.799 1.908 ( 0.834 -2.774 -0.751) 2.993 2.165 ( 1.822 -3.521 -9.963) 10.723 2.770 ( 1.263 -56.104 -2.450) 56.172 2.778 ( -0.043 -65.436 -0.022) 65.436 3.010 ( 1.196 -2.939 -6.587) 7.312 3.164 ( -1.287 -7.397 5.080) 9.066 3.536 ( 1.448 -1.959 1.109) 2.676 3.847 ( 1.662 1.735 -7.710) 8.075 4.036 ( -1.950 1.118 7.972) 8.283 4.151 ( -0.759 -0.136 8.124) 8.160 4.471 ( -3.923 -9.974 15.976) 19.238 5.276 ( -0.364 1.220 -3.671) 3.885 6.042 ( 0.855 -0.088 -4.581) 4.661 6.158 ( -0.578 -13.941 1.558) 14.040 6.508 ( -2.574 -12.562 10.661) 16.676 7.027 ( 0.910 -7.508 -10.493) 12.934 7.529 ( 0.438 -3.091 -4.386) 5.384 14.778 ( 0.046 -125.258 0.226) 125.258 15.723 ( 27.663 -195.652 -18.120) 198.427 ======================= Grid point 275 (122/322) ======================= q-point: (-0.31 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -2.848 -7.781 0.447) 8.298 0.976 ( -7.503 -7.855 21.367) 23.969 1.787 ( 0.098 -5.830 0.019) 5.831 1.823 ( -0.226 -7.426 -0.752) 7.468 1.871 ( -1.252 -15.029 -0.365) 15.085 1.982 ( 0.500 -4.205 -1.421) 4.467 2.238 ( 1.878 -3.918 -8.508) 9.553 3.077 ( 0.993 -3.952 -6.205) 7.423 3.276 ( 0.174 -3.400 1.006) 3.550 3.591 ( -0.156 -2.367 4.328) 4.935 3.814 ( 1.775 0.650 -7.975) 8.196 3.971 ( -0.555 -20.348 -0.183) 20.357 4.082 ( 0.112 -14.372 3.005) 14.683 4.219 ( 1.078 -72.455 1.209) 72.474 4.308 ( -0.426 -42.709 5.014) 43.004 4.704 ( -2.798 -11.333 10.862) 15.945 5.236 ( 0.127 2.224 -3.466) 4.120 6.008 ( 0.115 2.587 -4.882) 5.526 6.576 ( -0.558 -26.240 1.984) 26.321 6.855 ( -1.771 -20.690 7.132) 21.957 7.249 ( -0.467 -14.856 -6.361) 16.167 7.618 ( 0.708 -5.971 -3.599) 7.007 17.816 ( -0.744 -166.051 5.075) 166.130 19.876 ( 44.616 -183.688 -32.724) 191.841 ======================= Grid point 276 (123/322) ======================= q-point: (-0.23 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -1.550 -11.640 1.071) 11.791 1.117 ( -6.566 -6.825 19.337) 21.531 1.890 ( -0.076 -6.315 1.214) 6.431 1.997 ( -0.028 -9.777 -1.541) 9.897 2.062 ( -0.329 -4.339 -1.703) 4.673 2.138 ( -0.645 -11.548 -1.241) 11.633 2.311 ( 1.828 -3.569 -7.208) 8.248 3.150 ( 0.929 -3.528 -5.833) 6.880 3.317 ( 0.862 -0.912 -0.841) 1.511 3.629 ( -1.320 -1.129 6.401) 6.633 3.796 ( 2.078 0.771 -8.095) 8.393 4.027 ( 0.252 -0.345 0.548) 0.694 4.192 ( -1.338 -2.695 4.739) 5.613 4.878 ( -1.699 -5.884 6.418) 8.871 5.183 ( 0.415 2.420 -2.916) 3.812 5.581 ( -0.053 -63.238 -1.434) 63.255 5.626 ( 0.316 -63.964 0.107) 63.964 5.940 ( -0.216 3.194 -4.951) 5.896 7.106 ( -0.531 -24.646 1.638) 24.706 7.268 ( -1.032 -19.394 4.134) 19.857 7.542 ( 0.066 -14.091 -3.176) 14.445 7.754 ( 0.693 -7.604 -2.606) 8.068 20.981 ( -1.224 -144.889 7.980) 145.114 23.031 ( 26.027 -120.504 -28.879) 126.620 ======================= Grid point 277 (124/322) ======================= q-point: (-0.15 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.643 -12.016 0.712) 12.055 1.233 ( -5.847 -5.363 18.240) 19.891 2.041 ( -0.233 -8.251 1.563) 8.401 2.136 ( -0.998 -3.482 -0.991) 3.756 2.190 ( 0.228 -9.463 -1.967) 9.668 2.335 ( 0.491 -7.909 -2.613) 8.344 2.380 ( 1.314 -3.984 -5.241) 6.713 3.207 ( 0.976 -2.510 -5.557) 6.175 3.330 ( 0.985 -0.224 -1.637) 1.923 3.644 ( -1.912 -0.364 7.188) 7.447 3.782 ( 2.159 0.629 -8.042) 8.350 4.032 ( -0.025 -0.102 1.168) 1.173 4.229 ( -0.860 -1.072 2.421) 2.783 4.948 ( -1.157 -1.435 4.408) 4.778 5.136 ( 0.517 1.973 -2.326) 3.094 5.864 ( -0.286 3.033 -4.737) 5.632 6.666 ( -0.634 -44.718 -1.711) 44.755 6.726 ( -1.035 -45.251 -0.895) 45.272 7.494 ( -0.362 -13.781 0.832) 13.811 7.606 ( -0.569 -15.057 2.161) 15.221 7.765 ( 0.569 -8.083 -1.313) 8.208 7.921 ( 0.297 -9.460 -1.768) 9.629 23.432 ( -1.278 -99.395 7.821) 99.710 24.969 ( 6.889 -73.199 -20.011) 76.197 ======================= Grid point 278 (125/322) ======================= q-point: (-0.08 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.089 -9.409 0.269) 9.414 1.321 ( -5.231 -3.765 17.393) 18.549 2.185 ( -1.225 -2.134 0.227) 2.472 2.198 ( -0.324 -6.872 1.554) 7.053 2.355 ( 0.341 -6.967 -2.241) 7.326 2.414 ( 2.079 -1.909 -5.833) 6.480 2.500 ( 0.143 -6.001 -1.513) 6.190 3.244 ( 1.097 -1.410 -5.368) 5.657 3.334 ( 0.938 -0.024 -2.166) 2.360 3.647 ( -2.123 -0.039 7.370) 7.670 3.771 ( 2.172 0.447 -7.952) 8.256 4.036 ( -0.323 -0.134 1.490) 1.531 4.237 ( -0.572 0.049 1.600) 1.700 4.953 ( -1.017 0.492 3.902) 4.062 5.105 ( 0.451 1.067 -1.682) 2.042 5.807 ( 0.100 1.943 -4.392) 4.804 7.293 ( -0.365 -18.036 -0.656) 18.052 7.374 ( -1.456 -20.611 -0.790) 20.678 7.662 ( -0.236 -4.062 0.455) 4.094 7.867 ( 0.635 -2.415 -0.549) 2.556 7.923 ( -0.233 -17.525 0.907) 17.550 8.142 ( -0.655 -12.904 -1.382) 12.994 24.943 ( -1.038 -53.222 5.582) 53.524 26.078 ( -0.270 -41.241 -13.861) 43.509 ======================= Grid point 287 (126/322) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -6.280 -0.000 9.875) 11.703 0.491 ( -6.262 -0.000 -1.746) 6.501 0.769 ( -9.547 -0.000 28.095) 29.673 1.657 ( -0.716 -0.000 0.467) 0.855 1.716 ( 2.031 0.000 -6.278) 6.598 1.883 ( 1.012 0.000 -0.064) 1.014 2.024 ( -0.656 -0.000 2.239) 2.333 2.120 ( 2.730 0.000 -11.186) 11.514 2.173 ( -0.894 -0.000 -1.143) 1.451 2.977 ( 1.150 0.000 -6.502) 6.603 3.067 ( -2.135 -0.000 7.732) 8.021 3.526 ( 1.808 0.000 -0.304) 1.833 3.870 ( 1.826 0.000 -7.630) 7.845 4.068 ( -1.070 -0.000 15.282) 15.319 4.169 ( -0.263 -0.000 5.717) 5.723 4.369 ( -4.333 -0.000 17.772) 18.292 5.282 ( -0.042 -0.000 -3.773) 3.773 5.993 ( 0.437 0.000 -1.352) 1.421 6.062 ( -0.140 -0.000 -1.802) 1.808 6.390 ( -2.364 -0.000 13.011) 13.224 6.965 ( 3.276 0.000 -12.337) 12.764 7.495 ( 0.387 0.000 -4.807) 4.822 13.366 ( 0.380 0.000 -3.166) 3.189 13.427 ( 0.301 0.000 -1.895) 1.919 ======================= Grid point 288 (127/322) ======================= q-point: (-0.31 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -5.804 -3.526 -0.527) 6.812 0.816 ( -9.026 -6.772 25.130) 27.547 1.306 ( -2.359 -40.535 3.628) 40.765 1.695 ( -0.555 -4.122 -0.058) 4.160 1.777 ( 0.766 -1.651 -1.920) 2.645 1.916 ( 1.167 -2.518 -0.559) 2.830 2.161 ( 3.028 -3.491 -10.408) 11.388 2.776 ( 0.482 -60.977 -0.795) 60.984 2.781 ( 1.869 -61.465 -2.659) 61.551 3.004 ( 1.108 -2.921 -6.559) 7.265 3.166 ( -1.290 -7.576 5.149) 9.250 3.551 ( 0.951 -1.769 0.959) 2.226 3.842 ( 1.604 1.765 -7.615) 7.980 4.045 ( -0.619 2.133 8.668) 8.948 4.168 ( -0.604 -0.196 8.836) 8.859 4.476 ( -4.051 -9.862 16.006) 19.232 5.267 ( 0.441 1.151 -3.537) 3.745 6.035 ( 0.295 0.336 -4.770) 4.791 6.157 ( -0.501 -14.146 1.576) 14.242 6.514 ( -2.114 -12.216 11.009) 16.580 6.999 ( -1.159 -6.872 -9.900) 12.107 7.522 ( 0.713 -3.297 -4.388) 5.535 14.780 ( 0.038 -125.489 0.431) 125.490 16.038 ( 50.200 -210.809 -29.409) 218.690 ======================= Grid point 289 (128/322) ======================= q-point: (-0.23 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -3.306 -8.987 1.115) 9.641 0.960 ( -7.675 -8.076 22.011) 24.670 1.788 ( 0.166 -6.700 0.011) 6.702 1.818 ( -0.294 -7.230 -0.759) 7.275 1.856 ( -1.439 -14.490 -0.262) 14.564 1.983 ( 0.316 -3.718 -1.048) 3.876 2.238 ( 2.951 -3.836 -8.919) 10.147 3.070 ( 1.016 -3.954 -6.129) 7.364 3.281 ( 0.117 -3.563 1.193) 3.760 3.598 ( -0.626 -2.155 4.044) 4.624 3.810 ( 1.861 0.240 -8.177) 8.390 3.966 ( -0.279 -20.557 -0.390) 20.562 4.091 ( -0.089 -13.136 3.077) 13.492 4.233 ( 1.295 -74.300 0.273) 74.312 4.323 ( 0.701 -40.363 5.845) 40.790 4.706 ( -2.851 -11.260 10.804) 15.863 5.231 ( 0.779 2.193 -3.194) 3.952 5.993 ( -0.424 2.710 -4.946) 5.656 6.576 ( -0.556 -26.217 1.969) 26.297 6.858 ( -1.632 -20.527 7.444) 21.896 7.222 ( -1.415 -15.898 -5.889) 17.012 7.616 ( 0.879 -6.088 -3.552) 7.103 17.822 ( -0.939 -166.272 5.605) 166.369 20.309 ( 64.709 -172.577 -47.542) 190.343 ======================= Grid point 290 (129/322) ======================= q-point: (-0.15 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.381 -12.189 1.423) 12.349 1.105 ( -6.502 -7.015 19.821) 22.008 1.892 ( -0.118 -6.275 1.244) 6.398 1.992 ( -0.063 -9.823 -1.495) 9.936 2.054 ( -0.507 -4.063 -1.211) 4.270 2.128 ( -0.729 -11.886 -1.105) 11.960 2.314 ( 2.716 -3.438 -7.555) 8.734 3.143 ( 1.001 -3.557 -5.725) 6.814 3.323 ( 0.734 -0.922 -0.733) 1.388 3.631 ( -1.715 -1.030 6.133) 6.451 3.795 ( 2.256 0.721 -8.346) 8.675 4.030 ( 0.097 -0.431 0.329) 0.551 4.193 ( -1.250 -2.448 5.170) 5.855 4.879 ( -1.691 -5.873 6.378) 8.833 5.182 ( 0.870 2.447 -2.620) 3.689 5.579 ( 0.372 -62.313 -1.735) 62.339 5.630 ( 0.470 -63.256 0.053) 63.258 5.922 ( -0.509 3.046 -4.920) 5.809 7.105 ( -0.528 -24.613 1.601) 24.671 7.269 ( -1.043 -19.308 4.281) 19.805 7.533 ( -0.159 -14.886 -2.990) 15.184 7.754 ( 0.741 -7.611 -2.605) 8.079 20.989 ( -1.631 -144.957 8.614) 145.222 23.234 ( 32.651 -107.215 -36.389) 117.836 ======================= Grid point 291 (130/322) ======================= q-point: (-0.08 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.346 -12.218 0.874) 12.254 1.226 ( -5.688 -5.507 18.580) 20.196 2.042 ( -0.323 -8.225 1.563) 8.379 2.123 ( -1.138 -3.445 -0.329) 3.643 2.187 ( 0.278 -9.470 -2.149) 9.715 2.334 ( 0.484 -8.690 -1.945) 8.918 2.381 ( 1.978 -3.353 -5.925) 7.089 3.202 ( 1.052 -2.555 -5.439) 6.101 3.335 ( 0.847 -0.173 -1.604) 1.822 3.643 ( -2.174 -0.349 6.968) 7.307 3.782 ( 2.294 0.631 -8.210) 8.548 4.034 ( -0.243 -0.061 1.030) 1.060 4.228 ( -0.766 -1.016 2.703) 2.988 4.948 ( -1.137 -1.435 4.400) 4.766 5.136 ( 0.766 2.009 -2.092) 3.000 5.849 ( -0.250 2.848 -4.614) 5.428 6.654 ( -0.643 -44.519 -2.483) 44.593 6.717 ( -0.575 -44.675 0.031) 44.679 7.493 ( -0.341 -13.773 0.798) 13.800 7.606 ( -0.631 -15.035 2.178) 15.205 7.767 ( 0.489 -8.420 -1.293) 8.533 7.919 ( 0.300 -9.216 -1.827) 9.400 23.439 ( -1.773 -99.327 8.270) 99.686 24.991 ( 9.014 -67.102 -21.937) 71.170 ======================= Grid point 301 (131/322) ======================= q-point: (-0.31 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -8.297 -0.000 0.017) 8.297 0.420 ( -7.239 -0.000 10.773) 12.979 0.749 ( -10.296 -0.000 29.264) 31.022 1.652 ( -0.684 -0.000 0.580) 0.897 1.718 ( 1.887 0.000 -6.377) 6.650 1.895 ( 1.492 0.000 -0.008) 1.492 2.024 ( -0.552 -0.000 2.356) 2.420 2.122 ( 3.927 0.000 -11.405) 12.062 2.159 ( -1.174 -0.000 -1.138) 1.635 2.971 ( 1.182 0.000 -6.346) 6.455 3.067 ( -2.147 -0.000 7.590) 7.888 3.540 ( 1.074 0.000 -0.509) 1.188 3.868 ( 2.010 0.000 -7.924) 8.175 4.119 ( 2.667 0.000 17.268) 17.473 4.181 ( -0.603 -0.000 6.621) 6.648 4.374 ( -4.484 -0.000 17.783) 18.340 5.277 ( 0.932 0.000 -3.214) 3.346 5.993 ( 0.324 0.000 -1.640) 1.672 6.055 ( -0.349 -0.000 -1.782) 1.816 6.408 ( -1.087 -0.000 13.482) 13.526 6.959 ( 2.249 0.000 -12.264) 12.468 7.487 ( 0.731 0.000 -4.661) 4.718 13.361 ( 0.344 0.000 -3.096) 3.115 13.425 ( 0.400 0.000 -1.880) 1.922 ======================= Grid point 302 (132/322) ======================= q-point: (-0.23 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -6.646 -5.204 1.330) 8.545 0.794 ( -9.327 -7.074 26.172) 28.670 1.292 ( -2.441 -40.605 3.780) 40.853 1.690 ( -0.460 -4.145 0.020) 4.170 1.779 ( 0.662 -1.503 -1.969) 2.563 1.927 ( 1.244 -2.072 -0.379) 2.446 2.168 ( 4.092 -3.411 -10.541) 11.811 2.777 ( 0.116 -64.120 0.041) 64.120 2.798 ( 3.578 -59.353 -5.199) 59.688 2.997 ( 1.168 -2.846 -6.342) 7.049 3.167 ( -1.322 -7.746 5.050) 9.341 3.559 ( 0.200 -1.642 0.631) 1.771 3.838 ( 1.759 1.829 -7.751) 8.156 4.069 ( 0.403 4.154 8.778) 9.720 4.188 ( -0.368 -0.317 10.487) 10.498 4.478 ( -4.204 -9.777 15.876) 19.113 5.267 ( 1.320 1.199 -2.838) 3.352 6.022 ( -0.241 0.743 -4.989) 5.050 6.156 ( -0.422 -14.264 1.593) 14.358 6.526 ( -1.558 -11.489 11.840) 16.571 6.951 ( -3.296 -6.756 -8.948) 11.687 7.519 ( 1.015 -3.437 -4.170) 5.498 14.781 ( -0.010 -125.688 0.650) 125.689 16.559 ( 79.026 -230.959 -55.282) 250.287 ======================= Grid point 303 (133/322) ======================= q-point: (-0.15 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -3.123 -10.319 2.266) 11.017 0.946 ( -7.551 -8.336 22.817) 25.438 1.790 ( 0.209 -7.941 0.002) 7.944 1.813 ( -0.301 -6.960 -0.724) 7.004 1.842 ( -1.305 -13.653 -0.046) 13.716 1.982 ( 0.163 -3.167 -0.728) 3.254 2.247 ( 3.825 -3.698 -9.006) 10.460 3.064 ( 1.132 -3.953 -5.983) 7.260 3.285 ( 0.028 -3.680 1.234) 3.881 3.600 ( -1.199 -2.033 3.678) 4.370 3.807 ( 2.117 -0.156 -8.489) 8.750 3.964 ( 0.033 -20.548 -0.536) 20.555 4.097 ( -0.440 -12.207 3.122) 12.608 4.244 ( 0.902 -74.098 -0.296) 74.104 4.353 ( 1.817 -39.607 5.945) 40.092 4.707 ( -2.899 -11.240 10.686) 15.777 5.234 ( 1.384 2.302 -2.565) 3.714 5.974 ( -0.656 2.742 -4.940) 5.688 6.576 ( -0.551 -26.180 1.950) 26.258 6.863 ( -1.571 -20.232 7.936) 21.789 7.191 ( -1.752 -17.258 -5.329) 18.147 7.616 ( 1.030 -6.127 -3.390) 7.078 17.827 ( -1.241 -166.428 6.023) 166.541 20.862 ( 78.333 -155.706 -70.970) 188.195 ======================= Grid point 304 (134/322) ======================= q-point: (-0.08 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -1.022 -12.700 1.971) 12.892 1.097 ( -6.218 -7.176 20.397) 22.498 1.894 ( -0.217 -6.222 1.245) 6.349 1.988 ( 0.012 -9.807 -1.430) 9.911 2.047 ( -0.434 -3.808 -0.799) 3.915 2.119 ( -0.639 -12.230 -0.880) 12.279 2.324 ( 3.386 -3.249 -7.585) 8.919 3.139 ( 1.127 -3.574 -5.568) 6.712 3.327 ( 0.551 -0.925 -0.761) 1.318 3.628 ( -2.075 -1.014 5.844) 6.284 3.796 ( 2.459 0.683 -8.669) 9.037 4.031 ( -0.079 -0.431 0.153) 0.464 4.196 ( -1.243 -2.262 5.565) 6.135 4.880 ( -1.682 -5.883 6.332) 8.806 5.185 ( 1.231 2.596 -2.149) 3.588 5.579 ( 0.755 -61.496 -1.869) 61.529 5.635 ( 0.594 -62.603 -0.144) 62.606 5.904 ( -0.424 2.945 -4.798) 5.646 7.105 ( -0.507 -24.586 1.569) 24.642 7.270 ( -1.084 -19.165 4.437) 19.701 7.524 ( -0.151 -15.677 -2.814) 15.928 7.755 ( 0.775 -7.557 -2.573) 8.021 20.995 ( -2.138 -144.977 8.985) 145.271 23.458 ( 34.163 -93.236 -45.197) 109.100 ======================= Grid point 315 (135/322) ======================= q-point: (-0.23 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -9.146 -0.000 3.040) 9.638 0.378 ( -7.475 -0.000 12.360) 14.445 0.726 ( -10.774 -0.000 31.003) 32.821 1.647 ( -0.573 -0.000 0.736) 0.933 1.719 ( 1.750 0.000 -6.475) 6.708 1.911 ( 1.696 0.000 0.041) 1.696 2.026 ( -0.472 -0.000 2.482) 2.527 2.135 ( 4.822 0.000 -11.252) 12.242 2.144 ( -1.218 -0.000 -1.021) 1.589 2.966 ( 1.338 0.000 -6.025) 6.172 3.066 ( -2.115 -0.000 7.329) 7.628 3.544 ( 0.195 0.000 -0.874) 0.896 3.867 ( 2.225 0.000 -8.534) 8.820 4.183 ( 0.005 0.000 5.360) 5.360 4.226 ( 6.616 0.000 20.040) 21.104 4.378 ( -4.503 -0.000 17.667) 18.231 5.284 ( 1.939 0.000 -1.884) 2.704 5.990 ( 0.154 0.000 -2.390) 2.395 6.046 ( -0.549 -0.000 -1.376) 1.481 6.446 ( 1.369 0.000 14.042) 14.109 6.940 ( 0.434 0.000 -12.171) 12.179 7.484 ( 1.120 0.000 -4.252) 4.397 13.356 ( 0.413 0.000 -2.958) 2.987 13.425 ( 0.503 0.000 -1.808) 1.877 ======================= Grid point 316 (136/322) ======================= q-point: (-0.15 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -6.291 -7.065 4.022) 10.280 0.775 ( -9.167 -7.465 27.408) 29.849 1.280 ( -2.207 -40.726 4.009) 40.983 1.686 ( -0.303 -4.154 0.150) 4.168 1.780 ( 0.583 -1.395 -2.065) 2.560 1.938 ( 1.073 -1.543 -0.266) 1.898 2.184 ( 4.782 -3.309 -10.307) 11.834 2.779 ( 0.126 -64.592 0.208) 64.592 2.821 ( 4.579 -59.601 -7.836) 60.288 2.993 ( 1.301 -2.773 -5.969) 6.709 3.167 ( -1.320 -7.849 4.904) 9.349 3.558 ( -0.571 -1.594 0.212) 1.707 3.835 ( 2.041 1.863 -8.092) 8.551 4.096 ( 0.256 6.147 7.501) 9.701 4.219 ( 0.078 0.669 12.926) 12.943 4.479 ( -4.351 -9.743 15.602) 18.901 5.277 ( 2.020 1.417 -1.697) 2.995 6.004 ( -0.579 0.987 -5.116) 5.242 6.157 ( -0.356 -14.292 1.615) 14.387 6.548 ( -0.990 -9.987 13.273) 16.641 6.888 ( -4.746 -8.029 -7.698) 12.093 7.520 ( 1.290 -3.481 -3.781) 5.299 14.783 ( -0.086 -125.808 0.833) 125.811 17.269 ( 106.257 -249.053 -104.385) 290.196 ======================= Grid point 317 (137/322) ======================= q-point: (-0.08 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -2.422 -11.455 3.571) 12.241 0.936 ( -7.111 -8.576 23.631) 26.125 1.793 ( 0.248 -9.553 0.032) 9.556 1.809 ( -0.258 -6.591 -0.661) 6.629 1.831 ( -0.900 -12.490 0.170) 12.524 1.982 ( 0.102 -2.697 -0.499) 2.745 2.263 ( 4.290 -3.535 -8.751) 10.367 3.060 ( 1.272 -3.956 -5.830) 7.159 3.288 ( -0.087 -3.721 1.148) 3.896 3.595 ( -1.687 -2.034 3.313) 4.238 3.806 ( 2.485 -0.345 -8.827) 9.176 3.964 ( 0.283 -20.488 -0.574) 20.498 4.099 ( -0.871 -11.616 3.118) 12.059 4.250 ( 0.459 -72.960 -0.386) 72.963 4.387 ( 1.795 -39.690 5.190) 40.068 4.707 ( -2.935 -11.278 10.525) 15.703 5.244 ( 1.758 2.532 -1.728) 3.533 5.955 ( -0.397 2.657 -4.829) 5.526 6.576 ( -0.540 -26.135 1.932) 26.212 6.870 ( -1.680 -19.826 8.501) 21.637 7.162 ( -1.254 -18.634 -4.793) 19.282 7.618 ( 1.150 -6.081 -3.145) 6.942 17.830 ( -1.582 -166.482 6.230) 166.606 21.409 ( 76.536 -136.114 -99.856) 185.354 ======================= Grid point 329 (138/322) ======================= q-point: (-0.15 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.257 ( -8.687 -0.000 7.428) 11.430 0.344 ( -6.697 -0.000 14.385) 15.868 0.707 ( -10.512 -0.000 32.903) 34.541 1.645 ( -0.396 -0.000 0.887) 0.971 1.718 ( 1.637 0.000 -6.535) 6.737 1.928 ( 1.497 0.000 0.049) 1.497 2.028 ( -0.437 -0.000 2.590) 2.626 2.131 ( -0.924 -0.000 -0.797) 1.220 2.155 ( 5.259 0.000 -10.756) 11.973 2.964 ( 1.504 0.000 -5.669) 5.865 3.065 ( -1.977 -0.000 7.116) 7.386 3.539 ( -0.552 -0.000 -1.307) 1.419 3.866 ( 2.366 0.000 -9.162) 9.463 4.188 ( -1.431 -0.000 5.142) 5.337 4.356 ( 3.167 0.000 15.982) 16.293 4.397 ( 4.262 0.000 16.325) 16.872 5.305 ( 2.762 0.000 -0.009) 2.762 5.982 ( -0.148 -0.000 -3.569) 3.572 6.038 ( -0.552 -0.000 -0.358) 0.658 6.517 ( 5.926 0.000 12.467) 13.804 6.898 ( -3.020 -0.000 -10.580) 11.003 7.486 ( 1.474 0.000 -3.686) 3.970 13.354 ( 0.569 0.000 -2.783) 2.840 13.425 ( 0.589 0.000 -1.697) 1.796 ======================= Grid point 330 (139/322) ======================= q-point: (-0.08 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -4.742 -8.705 6.862) 12.056 0.764 ( -8.425 -7.794 28.547) 30.768 1.271 ( -1.715 -40.827 4.261) 41.085 1.685 ( -0.106 -4.143 0.304) 4.156 1.779 ( 0.506 -1.350 -2.191) 2.622 1.946 ( 0.707 -1.097 -0.226) 1.325 2.205 ( 4.974 -3.197 -9.776) 11.425 2.781 ( 0.118 -64.779 0.330) 64.780 2.842 ( 4.510 -59.396 -10.540) 60.492 2.991 ( 1.429 -2.925 -5.537) 6.423 3.167 ( -1.230 -7.867 4.834) 9.316 3.550 ( -1.138 -1.617 -0.221) 1.990 3.834 ( 2.354 1.799 -8.519) 9.019 4.111 ( -0.758 6.633 5.871) 8.890 4.255 ( -0.623 3.463 14.296) 14.723 4.477 ( -4.460 -9.789 15.220) 18.638 5.296 ( 2.217 1.791 -0.454) 2.886 5.985 ( -0.313 0.939 -4.997) 5.094 6.158 ( -0.305 -14.243 1.640) 14.340 6.577 ( -1.189 -7.237 15.233) 16.906 6.823 ( -3.890 -11.161 -6.624) 13.549 7.524 ( 1.503 -3.433 -3.303) 4.996 14.784 ( -0.175 -125.822 0.937) 125.825 17.980 ( 107.178 -256.741 -173.269) 327.758 ======================= Grid point 343 (140/322) ======================= q-point: (-0.08 -0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -6.124 -0.000 12.180) 13.633 0.327 ( -4.853 -0.000 16.094) 16.810 0.700 ( -9.403 -0.000 34.325) 35.590 1.644 ( -0.177 -0.000 1.002) 1.018 1.716 ( 1.552 0.000 -6.548) 6.729 1.940 ( 0.821 0.000 -0.005) 0.821 2.031 ( -0.458 -0.000 2.648) 2.687 2.123 ( -0.230 -0.000 -0.491) 0.542 2.178 ( 5.167 0.000 -10.052) 11.303 2.964 ( 1.533 0.000 -5.420) 5.633 3.066 ( -1.756 -0.000 7.011) 7.228 3.527 ( -0.984 -0.000 -1.756) 2.013 3.864 ( 2.485 0.000 -9.600) 9.916 4.185 ( -2.056 -0.000 4.993) 5.400 4.370 ( -4.655 -0.000 16.478) 17.123 4.515 ( 7.758 0.000 2.293) 8.090 5.334 ( 2.492 0.000 1.259) 2.792 5.970 ( -0.036 -0.000 -4.143) 4.143 6.034 ( -0.168 -0.000 0.624) 0.647 6.619 ( 8.948 0.000 1.647) 9.098 6.827 ( -6.566 -0.000 -1.681) 6.778 7.493 ( 1.714 0.000 -3.089) 3.533 13.353 ( 0.771 0.000 -2.608) 2.720 13.427 ( 0.642 0.000 -1.573) 1.699 ======================= Grid point 344 (141/322) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -4.615 -0.000 20.725) 21.232 0.658 ( -2.649 -0.000 15.390) 15.616 1.367 ( -7.515 -0.000 30.734) 31.640 1.545 ( 2.110 0.000 -9.385) 9.620 1.680 ( 0.109 0.000 1.572) 1.576 1.920 ( 7.377 0.000 -18.191) 19.630 1.940 ( -0.201 -0.000 -0.196) 0.281 2.080 ( -0.594 -0.000 1.846) 1.939 2.120 ( 1.049 0.000 -0.210) 1.070 2.803 ( 3.349 0.000 -10.777) 11.286 3.239 ( -2.390 -0.000 9.001) 9.313 3.493 ( -1.582 -0.000 0.043) 1.583 3.670 ( 2.289 0.000 -8.914) 9.203 4.232 ( -1.816 -0.000 1.002) 2.074 4.493 ( -1.633 -0.000 -0.590) 1.736 4.756 ( -7.003 -0.000 21.599) 22.705 5.392 ( 0.610 0.000 1.956) 2.049 5.836 ( 2.917 0.000 -9.021) 9.481 6.068 ( -0.508 -0.000 2.460) 2.512 6.479 ( 3.358 0.000 -9.458) 10.036 6.948 ( -3.769 -0.000 8.280) 9.097 7.426 ( 3.113 0.000 -5.130) 6.000 13.296 ( 1.169 0.000 -2.964) 3.186 13.392 ( 0.865 0.000 -1.974) 2.156 ======================= Grid point 345 (142/322) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -3.888 -4.661 18.460) 19.433 1.267 ( -2.496 -19.461 14.247) 24.247 1.487 ( -4.976 -17.743 19.565) 26.877 1.691 ( 0.713 -3.517 -1.173) 3.776 1.715 ( 0.553 -5.290 -2.707) 5.968 1.920 ( 1.344 -0.878 -5.899) 6.113 2.010 ( 4.213 -4.702 -10.360) 12.132 2.725 ( 1.057 -55.819 -2.469) 55.884 2.794 ( -0.022 -63.615 0.423) 63.616 2.842 ( 3.000 -7.573 -9.747) 12.703 3.297 ( -2.151 -3.982 7.214) 8.516 3.520 ( -1.216 -3.577 0.394) 3.799 3.650 ( 2.605 1.404 -8.793) 9.278 4.153 ( -1.398 5.709 0.803) 5.932 4.429 ( -2.738 2.687 4.275) 5.744 4.824 ( -6.154 -6.551 19.763) 21.710 5.356 ( 0.384 3.343 1.361) 3.630 5.840 ( 3.515 0.569 -9.109) 9.780 6.210 ( -0.916 -14.735 3.353) 15.140 6.643 ( 3.151 -15.063 -8.040) 17.363 6.908 ( -3.910 -2.890 12.279) 13.206 7.463 ( 2.513 -3.083 -5.174) 6.526 14.806 ( -0.965 -131.526 1.341) 131.537 15.680 ( 5.184 -192.640 -55.800) 200.625 ======================= Grid point 346 (143/322) ======================= q-point: ( 0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.085 -8.499 14.387) 16.992 1.452 ( -5.118 -6.436 21.938) 23.429 1.777 ( 1.973 -5.776 -4.232) 7.428 1.810 ( -0.376 -5.291 0.091) 5.305 1.861 ( -0.824 -14.598 4.937) 15.432 1.960 ( 0.425 -3.249 -2.734) 4.268 2.113 ( 3.712 -4.852 -9.781) 11.532 2.909 ( 3.376 -4.351 -9.996) 11.413 3.344 ( -2.165 -1.263 5.210) 5.782 3.604 ( 0.145 -3.454 -0.923) 3.578 3.631 ( 2.024 -0.310 -6.768) 7.071 4.005 ( 0.064 -20.724 2.414) 20.864 4.118 ( -1.029 -29.784 1.346) 29.832 4.236 ( -0.399 -74.426 -0.794) 74.432 4.464 ( -1.790 -18.734 2.200) 18.947 4.959 ( -4.310 -6.153 14.670) 16.482 5.282 ( 0.386 4.143 -0.075) 4.162 5.818 ( 3.696 2.064 -8.533) 9.525 6.635 ( -1.088 -26.103 4.013) 26.432 7.021 ( 0.864 -20.561 -2.881) 20.780 7.098 ( -1.298 -14.690 6.262) 16.022 7.557 ( 1.733 -5.848 -4.849) 7.792 17.950 ( -3.938 -170.489 6.903) 170.674 19.492 ( 5.482 -181.315 -66.650) 193.255 ======================= Grid point 347 (144/322) ======================= q-point: ( 0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -2.448 -10.627 10.805) 15.352 1.580 ( -5.598 -6.015 22.343) 23.806 1.912 ( 2.599 -6.930 -8.811) 11.507 1.927 ( -1.062 -6.955 3.009) 7.653 2.043 ( 0.280 -5.196 -0.003) 5.203 2.112 ( 0.474 -10.570 0.036) 10.581 2.212 ( 2.689 -4.745 -7.550) 9.314 2.995 ( 3.350 -3.816 -9.971) 11.189 3.354 ( -2.077 -0.349 4.811) 5.251 3.612 ( 2.882 0.488 -8.519) 9.006 3.681 ( -0.637 -2.469 1.534) 2.975 4.009 ( -0.114 0.685 -0.571) 0.899 4.314 ( -1.528 -0.255 4.569) 4.825 5.047 ( -2.865 -2.775 10.094) 10.853 5.197 ( 0.423 3.756 -1.393) 4.028 5.585 ( 0.885 -61.736 0.305) 61.743 5.628 ( -0.307 -63.611 -0.514) 63.614 5.778 ( 3.636 2.310 -7.871) 8.973 7.151 ( -0.658 -23.447 2.989) 23.646 7.376 ( -1.929 -15.412 5.455) 16.462 7.446 ( 1.508 -17.441 -4.038) 17.965 7.694 ( 1.175 -7.756 -3.945) 8.781 21.146 ( -5.201 -145.260 8.843) 145.622 22.570 ( 6.877 -131.591 -39.179) 137.471 ======================= Grid point 348 (145/322) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.962 -10.422 8.090) 13.338 1.690 ( -6.062 -4.634 23.252) 24.472 2.035 ( 2.529 -5.439 -11.372) 12.857 2.081 ( -1.013 -8.270 3.099) 8.890 2.162 ( 0.991 -5.841 0.934) 5.997 2.279 ( 1.354 -5.542 -4.280) 7.132 2.327 ( 0.952 -7.297 -2.946) 7.926 3.061 ( 3.244 -2.454 -10.215) 10.995 3.356 ( -1.903 -0.232 4.940) 5.299 3.606 ( 2.760 0.373 -8.343) 8.796 3.715 ( -0.619 -1.131 2.063) 2.433 4.006 ( 0.168 -0.354 -1.074) 1.143 4.307 ( -1.006 0.552 3.072) 3.280 5.075 ( -2.230 -0.339 7.850) 8.168 5.129 ( 0.321 2.813 -1.757) 3.333 5.733 ( 3.333 2.395 -7.387) 8.450 6.666 ( 0.733 -44.437 0.009) 44.443 6.727 ( 1.208 -45.273 -0.244) 45.290 7.515 ( -0.178 -12.732 1.353) 12.805 7.650 ( -0.824 -12.831 2.593) 13.117 7.724 ( 0.310 -10.010 -2.102) 10.233 7.871 ( 1.015 -10.364 -2.516) 10.714 23.560 ( -4.455 -97.506 7.601) 97.904 24.698 ( 8.266 -83.180 -18.516) 85.616 ======================= Grid point 349 (146/322) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -1.631 -7.664 6.057) 9.904 1.766 ( -6.319 -2.816 23.627) 24.619 2.126 ( 2.093 -4.258 -10.836) 11.829 2.236 ( -0.834 -6.924 2.722) 7.486 2.256 ( 2.022 -2.299 -1.223) 3.297 2.373 ( 0.553 -4.341 -2.748) 5.167 2.464 ( 0.620 -5.738 -2.627) 6.341 3.097 ( 3.135 -1.029 -10.685) 11.183 3.359 ( -1.692 -0.262 5.120) 5.399 3.602 ( 2.497 0.224 -7.908) 8.296 3.731 ( -0.523 -0.497 2.074) 2.196 4.017 ( 0.327 -0.690 -1.132) 1.366 4.294 ( -0.795 0.654 2.491) 2.695 5.070 ( -2.087 0.596 7.334) 7.648 5.086 ( 0.327 1.401 -1.704) 2.230 5.697 ( 2.844 1.776 -7.136) 7.884 7.299 ( 0.108 -18.399 0.232) 18.400 7.385 ( 1.361 -19.912 -0.330) 19.961 7.674 ( -0.033 -3.948 0.673) 4.005 7.846 ( -0.152 -2.993 -0.958) 3.146 7.934 ( -0.227 -16.304 0.672) 16.320 8.129 ( 1.284 -14.816 -1.048) 14.908 25.019 ( -2.871 -51.668 5.425) 52.031 25.949 ( 7.566 -41.967 -11.886) 44.268 ======================= Grid point 350 (147/322) ======================= q-point: ( 0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.367 -2.456 4.780) 5.545 1.802 ( -6.421 -0.802 23.591) 24.462 2.196 ( 2.002 -3.001 -10.548) 11.148 2.270 ( 1.678 1.221 -1.839) 2.773 2.337 ( -0.685 -2.813 2.590) 3.885 2.438 ( 0.306 -1.759 -1.549) 2.364 2.543 ( 0.637 -2.076 -2.691) 3.458 3.107 ( 3.092 0.007 -11.129) 11.550 3.363 ( -1.499 -0.281 5.193) 5.413 3.600 ( 2.194 0.054 -7.537) 7.850 3.738 ( -0.478 -0.254 1.889) 1.965 4.029 ( 0.360 -0.439 -1.164) 1.295 4.283 ( -0.730 0.373 2.469) 2.602 5.059 ( -2.087 0.337 7.490) 7.783 5.068 ( 0.355 0.481 -1.518) 1.631 5.673 ( 2.229 0.879 -7.056) 7.452 7.486 ( -0.243 -3.321 1.094) 3.505 7.603 ( 0.484 -4.039 -0.434) 4.091 7.710 ( -0.143 -0.390 0.751) 0.858 7.871 ( 0.024 -0.332 -0.742) 0.813 8.210 ( 0.080 -8.409 -0.176) 8.411 8.375 ( 0.592 -6.780 -0.314) 6.813 25.676 ( -1.565 -16.418 4.409) 17.072 26.463 ( 4.956 -9.457 -12.342) 16.319 ======================= Grid point 351 (148/322) ======================= q-point: (-0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.142 3.686 4.684) 6.068 1.797 ( -6.469 1.318 23.639) 24.543 2.212 ( 4.329 2.491 -13.704) 14.586 2.246 ( -1.179 0.062 1.271) 1.735 2.340 ( -0.637 2.514 2.604) 3.675 2.434 ( 0.424 2.107 -1.175) 2.450 2.542 ( 0.637 2.147 -2.467) 3.332 3.100 ( 3.135 0.667 -11.276) 11.723 3.369 ( -1.377 -0.261 5.120) 5.308 3.601 ( 1.915 -0.089 -7.414) 7.658 3.742 ( -0.551 -0.130 1.742) 1.832 4.033 ( 0.301 0.064 -1.308) 1.344 4.280 ( -0.628 -0.102 2.548) 2.626 5.059 ( -1.894 -0.332 6.987) 7.247 5.064 ( 0.316 -0.091 -0.856) 0.917 5.666 ( 1.694 -0.214 -7.080) 7.283 7.485 ( -0.374 3.537 1.053) 3.710 7.594 ( -0.234 5.075 -0.305) 5.089 7.709 ( -0.255 0.443 0.738) 0.897 7.874 ( 0.372 -0.021 -0.760) 0.847 8.211 ( -0.015 8.250 -0.264) 8.254 8.358 ( -0.320 8.248 -0.086) 8.255 25.705 ( -1.356 13.613 5.481) 14.737 26.378 ( 2.547 17.524 -12.956) 21.942 ======================= Grid point 352 (149/322) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -1.078 8.321 5.887) 10.249 1.752 ( -6.431 3.225 23.816) 24.879 2.138 ( 3.766 4.685 -11.431) 12.915 2.223 ( -0.788 2.688 -0.719) 2.892 2.246 ( -0.644 6.490 2.290) 6.913 2.362 ( 0.888 4.833 -1.498) 5.137 2.460 ( 0.491 5.991 -1.957) 6.321 3.080 ( 3.219 1.477 -11.089) 11.641 3.374 ( -1.354 -0.210 4.950) 5.136 3.603 ( 1.722 -0.204 -7.564) 7.760 3.741 ( -0.709 0.161 1.648) 1.801 4.027 ( 0.208 0.411 -1.532) 1.600 4.287 ( -0.483 -0.470 2.713) 2.795 5.070 ( -0.710 -0.671 3.549) 3.681 5.075 ( -0.512 -0.810 2.521) 2.697 5.680 ( 1.407 -1.377 -7.205) 7.469 7.273 ( -0.447 20.957 -0.098) 20.962 7.364 ( -0.373 19.586 0.361) 19.593 7.673 ( -0.295 3.993 0.634) 4.054 7.855 ( 0.531 2.834 -0.986) 3.048 7.941 ( -0.295 16.041 0.681) 16.058 8.108 ( -0.221 13.846 -1.001) 13.884 25.090 ( -2.250 49.954 7.714) 50.596 25.756 ( 3.237 45.306 -13.427) 47.364 ======================= Grid point 353 (150/322) ======================= q-point: (-0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.339 10.538 8.099) 13.358 1.672 ( -6.216 4.864 23.664) 24.945 2.035 ( 3.842 6.106 -12.046) 14.041 2.088 ( -0.886 8.226 3.024) 8.809 2.140 ( -0.757 5.367 0.805) 5.479 2.265 ( 1.945 4.991 -3.892) 6.622 2.309 ( 0.168 8.905 -0.871) 8.949 3.040 ( 3.294 2.632 -10.773) 11.569 3.377 ( -1.451 -0.099 4.773) 4.990 3.606 ( 1.661 -0.327 -7.878) 8.058 3.730 ( -0.852 0.891 1.407) 1.871 4.018 ( 0.131 0.302 -1.586) 1.620 4.299 ( -0.464 -0.568 3.369) 3.447 5.079 ( -2.253 0.170 8.273) 8.576 5.104 ( 1.387 -2.039 -1.542) 2.908 5.714 ( 1.392 -2.313 -7.495) 7.966 6.608 ( 0.192 44.525 -0.509) 44.528 6.724 ( -0.127 44.702 0.462) 44.704 7.513 ( -0.449 12.815 1.268) 12.886 7.657 ( -0.845 12.882 2.660) 13.181 7.733 ( 0.537 10.117 -2.042) 10.335 7.869 ( 0.490 10.107 -2.687) 10.470 23.643 ( -3.418 96.799 10.295) 97.404 24.529 ( 8.952 79.874 -22.055) 83.345 ======================= Grid point 354 (151/322) ======================= q-point: (-0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.069 10.558 11.152) 15.496 1.563 ( -5.862 6.199 22.881) 24.420 1.898 ( 3.096 7.548 -9.423) 12.463 1.934 ( -0.953 6.884 3.012) 7.574 2.035 ( 0.156 4.658 -0.102) 4.661 2.108 ( -0.509 11.165 1.047) 11.226 2.173 ( 3.321 5.000 -6.540) 8.877 2.978 ( 3.333 3.807 -10.531) 11.683 3.375 ( -1.669 0.264 4.748) 5.039 3.611 ( 1.702 -0.473 -8.103) 8.293 3.697 ( -0.861 2.309 0.763) 2.580 4.017 ( 0.044 -0.478 -0.871) 0.994 4.310 ( -0.789 0.059 4.742) 4.808 5.054 ( -3.124 2.539 10.490) 11.236 5.164 ( 2.112 -3.054 -1.089) 3.870 5.553 ( 0.973 60.269 -0.618) 60.280 5.636 ( 0.054 63.415 -0.027) 63.415 5.762 ( 1.521 -2.566 -8.017) 8.554 7.149 ( -0.857 23.343 2.897) 23.538 7.383 ( -1.457 15.019 6.035) 16.252 7.445 ( 0.710 18.436 -4.243) 18.931 7.688 ( 1.360 8.282 -4.069) 9.328 21.214 ( -4.146 145.807 11.406) 146.311 22.548 ( 18.569 123.154 -46.867) 133.072 ======================= Grid point 355 (152/322) ======================= q-point: (-0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -3.265 8.512 15.000) 17.554 1.436 ( -5.509 6.738 22.209) 23.853 1.761 ( 2.075 6.037 -5.086) 8.162 1.817 ( -0.492 5.029 0.636) 5.093 1.855 ( -1.380 14.700 5.308) 15.690 1.959 ( 1.209 3.069 -2.907) 4.397 2.081 ( 4.334 5.076 -8.629) 10.909 2.898 ( 3.335 4.278 -10.424) 11.751 3.357 ( -1.932 1.538 5.338) 5.882 3.613 ( 0.228 1.629 -3.732) 4.078 3.635 ( 0.720 1.897 -4.405) 4.850 3.989 ( -0.013 25.363 2.586) 25.495 4.129 ( -0.549 25.223 0.701) 25.239 4.243 ( 0.102 73.903 -0.674) 73.906 4.471 ( 0.065 17.938 1.750) 18.023 4.969 ( -4.710 5.818 14.906) 16.680 5.252 ( 2.402 -3.889 0.388) 4.587 5.808 ( 1.904 -2.132 -8.685) 9.143 6.635 ( -1.184 26.041 4.076) 26.385 7.028 ( 1.374 21.842 -6.885) 22.943 7.084 ( -2.310 13.947 10.826) 17.806 7.543 ( 2.238 6.402 -4.937) 8.388 17.983 ( -3.273 171.594 8.316) 171.827 19.609 ( 24.149 175.619 -78.082) 193.706 ======================= Grid point 356 (153/322) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -4.436 4.721 18.995) 20.069 1.255 ( -3.079 19.316 14.318) 24.240 1.484 ( -5.178 17.995 20.042) 27.428 1.687 ( 0.741 2.681 -1.149) 3.009 1.717 ( 0.631 5.988 -3.093) 6.769 1.918 ( 2.762 1.281 -7.279) 7.890 1.994 ( 4.182 4.424 -8.474) 10.434 2.722 ( 1.054 55.522 -2.787) 55.602 2.792 ( 0.105 63.765 0.474) 63.767 2.838 ( 3.171 8.016 -9.878) 13.111 3.298 ( -2.145 4.219 7.386) 8.773 3.533 ( -1.417 3.300 -0.045) 3.592 3.651 ( 2.122 -1.466 -8.730) 9.103 4.163 ( -1.016 -6.092 0.724) 6.219 4.438 ( -1.228 -3.073 3.805) 5.042 4.833 ( -6.493 6.381 19.884) 21.869 5.340 ( 1.857 -3.502 1.718) 4.320 5.835 ( 2.431 -0.603 -9.268) 9.601 6.210 ( -0.922 14.818 3.491) 15.251 6.638 ( 2.431 15.355 -8.921) 17.924 6.906 ( -3.078 2.287 13.650) 14.178 7.450 ( 2.913 3.358 -5.252) 6.881 14.810 ( -0.773 132.080 1.640) 132.092 15.749 ( 13.804 195.806 -62.409) 205.974 ======================= Grid point 358 (154/322) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -3.645 -0.000 19.585) 19.921 0.677 ( -1.927 -0.000 14.965) 15.088 1.376 ( -7.459 -0.000 30.100) 31.011 1.541 ( 2.200 0.000 -9.433) 9.686 1.685 ( 0.084 0.000 1.499) 1.501 1.933 ( -0.967 -0.000 -0.162) 0.981 1.937 ( 6.128 0.000 -18.496) 19.484 2.079 ( -0.658 -0.000 1.650) 1.776 2.132 ( 1.407 0.000 -0.235) 1.426 2.807 ( 3.217 0.000 -10.636) 11.112 3.240 ( -2.305 -0.000 8.939) 9.232 3.480 ( -1.316 -0.000 0.529) 1.419 3.671 ( 2.787 0.000 -8.860) 9.288 4.215 ( -1.983 -0.000 1.102) 2.268 4.467 ( -3.754 -0.000 1.549) 4.061 4.747 ( -6.560 -0.000 21.541) 22.518 5.395 ( -0.896 -0.000 1.571) 1.808 5.845 ( 3.688 0.000 -8.718) 9.466 6.070 ( -0.471 -0.000 2.209) 2.259 6.492 ( 4.392 0.000 -8.601) 9.657 6.920 ( -6.273 -0.000 7.726) 9.951 7.440 ( 2.509 0.000 -5.175) 5.751 13.300 ( 1.178 0.000 -3.040) 3.261 13.395 ( 0.759 0.000 -2.033) 2.170 ======================= Grid point 359 (155/322) ======================= q-point: ( 0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -3.222 -4.377 17.206) 18.044 1.282 ( -2.236 -19.296 14.208) 24.067 1.491 ( -4.883 -17.830 18.803) 26.369 1.694 ( 0.745 -4.741 -1.664) 5.080 1.713 ( 0.449 -4.159 -2.094) 4.678 1.913 ( 0.418 -0.851 -5.525) 5.606 2.019 ( 3.491 -4.896 -11.282) 12.784 2.729 ( 0.944 -56.432 -2.087) 56.478 2.794 ( -0.149 -63.377 0.343) 63.378 2.844 ( 2.919 -6.743 -9.810) 12.257 3.295 ( -2.183 -3.658 7.140) 8.314 3.512 ( -0.811 -3.871 0.948) 4.067 3.654 ( 2.999 1.394 -8.704) 9.311 4.141 ( -1.462 5.339 0.935) 5.614 4.409 ( -3.787 2.010 5.272) 6.796 4.819 ( -5.732 -6.664 19.862) 21.720 5.356 ( -0.855 3.066 0.699) 3.259 5.853 ( 4.119 0.545 -8.986) 9.901 6.210 ( -0.917 -14.683 3.239) 15.064 6.657 ( 3.889 -14.557 -6.899) 16.572 6.895 ( -4.768 -4.195 10.107) 11.937 7.470 ( 1.894 -2.878 -5.347) 6.360 14.799 ( -1.009 -130.909 1.003) 130.917 15.563 ( -0.675 -186.829 -44.501) 192.057 ======================= Grid point 360 (156/322) ======================= q-point: ( 0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -3.015 -8.249 13.494) 16.101 1.460 ( -5.230 -6.212 21.747) 23.214 1.784 ( 1.784 -5.574 -4.428) 7.339 1.807 ( -0.436 -5.191 0.552) 5.238 1.867 ( -0.407 -14.761 3.967) 15.290 1.955 ( 0.108 -3.671 -3.129) 4.825 2.119 ( 2.888 -4.891 -9.809) 11.335 2.915 ( 3.328 -4.375 -10.138) 11.532 3.338 ( -2.048 -1.143 5.346) 5.838 3.604 ( 0.087 -4.112 0.340) 4.127 3.635 ( 2.596 0.363 -7.554) 7.995 4.011 ( -0.136 -17.391 2.130) 17.521 4.112 ( -1.031 -33.437 1.741) 33.498 4.229 ( -0.498 -74.332 -0.803) 74.338 4.450 ( -2.327 -19.504 2.792) 19.840 4.958 ( -4.047 -6.195 14.795) 16.542 5.280 ( -0.601 4.008 -0.770) 4.125 5.833 ( 4.093 2.124 -8.583) 9.743 6.635 ( -1.051 -26.170 4.027) 26.499 7.024 ( 0.575 -19.508 0.004) 19.517 7.100 ( -0.816 -15.562 2.612) 15.800 7.559 ( 1.337 -5.764 -5.001) 7.747 17.931 ( -3.608 -169.928 6.255) 170.081 19.350 ( -0.284 -185.196 -54.340) 193.004 ======================= Grid point 361 (157/322) ======================= q-point: ( 0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -2.737 -10.552 10.291) 14.991 1.585 ( -5.722 -5.925 22.130) 23.613 1.911 ( 2.285 -6.585 -9.314) 11.633 1.925 ( -0.957 -7.000 3.206) 7.759 2.045 ( 0.133 -5.763 -0.313) 5.773 2.118 ( 0.714 -10.372 -0.435) 10.406 2.215 ( 2.091 -4.740 -7.512) 9.125 3.000 ( 3.207 -3.789 -10.227) 11.368 3.348 ( -1.872 -0.365 5.072) 5.419 3.618 ( 3.021 0.577 -8.414) 8.958 3.681 ( -0.437 -2.487 1.793) 3.097 4.007 ( -0.011 0.641 -0.482) 0.802 4.310 ( -1.717 -0.381 4.407) 4.745 5.047 ( -2.753 -2.745 10.196) 10.912 5.193 ( -0.246 3.687 -1.928) 4.168 5.592 ( 0.405 -62.190 0.279) 62.192 5.624 ( -0.128 -64.178 -0.470) 64.180 5.793 ( 3.765 2.406 -8.024) 9.184 7.153 ( -0.653 -23.487 3.040) 23.692 7.372 ( -1.844 -15.584 5.452) 16.613 7.450 ( 1.606 -17.020 -4.308) 17.630 7.694 ( 1.061 -7.825 -3.967) 8.837 21.121 ( -4.390 -145.151 8.231) 145.450 22.522 ( 3.641 -136.819 -33.526) 140.914 ======================= Grid point 362 (158/322) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -2.370 -10.424 7.815) 13.242 1.692 ( -6.184 -4.597 23.114) 24.364 2.028 ( 2.405 -5.297 -11.673) 13.043 2.079 ( -0.956 -8.275 3.193) 8.921 2.174 ( 0.859 -6.314 0.585) 6.399 2.282 ( 1.499 -5.211 -4.328) 6.938 2.326 ( 0.540 -7.306 -3.189) 7.990 3.064 ( 3.050 -2.405 -10.529) 11.222 3.352 ( -1.692 -0.281 5.194) 5.470 3.611 ( 2.792 0.465 -8.177) 8.654 3.716 ( -0.428 -1.129 2.161) 2.476 4.005 ( 0.329 -0.393 -0.958) 1.087 4.305 ( -1.127 0.455 2.896) 3.140 5.075 ( -2.192 -0.307 7.929) 8.232 5.125 ( -0.032 2.649 -2.110) 3.387 5.746 ( 3.311 2.563 -7.577) 8.657 6.668 ( 0.119 -44.344 -0.463) 44.347 6.740 ( 1.393 -45.738 -0.351) 45.761 7.517 ( -0.176 -12.718 1.392) 12.795 7.650 ( -0.741 -12.906 2.587) 13.184 7.722 ( 0.381 -9.797 -2.090) 10.025 7.874 ( 1.026 -10.624 -2.459) 10.953 23.541 ( -3.436 -97.711 7.254) 98.040 24.720 ( 5.949 -85.607 -17.658) 87.612 ======================= Grid point 363 (159/322) ======================= q-point: ( 0.46 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -1.977 -7.707 5.919) 9.917 1.767 ( -6.403 -2.794 23.578) 24.591 2.118 ( 2.198 -4.242 -11.018) 12.009 2.236 ( -0.760 -6.939 2.744) 7.501 2.271 ( 1.878 -2.276 -1.554) 3.335 2.371 ( 0.413 -4.316 -2.711) 5.114 2.462 ( 0.464 -5.775 -2.707) 6.395 3.098 ( 2.974 -1.000 -10.939) 11.380 3.357 ( -1.534 -0.311 5.284) 5.511 3.605 ( 2.487 0.327 -7.773) 8.168 3.732 ( -0.394 -0.466 2.099) 2.186 4.018 ( 0.447 -0.680 -1.060) 1.337 4.292 ( -0.860 0.591 2.367) 2.587 5.069 ( -2.072 0.598 7.366) 7.675 5.084 ( 0.173 1.271 -1.853) 2.254 5.705 ( 2.716 2.009 -7.300) 8.043 7.300 ( 0.030 -18.431 0.111) 18.431 7.396 ( 1.087 -19.543 -0.666) 19.585 7.675 ( -0.033 -3.911 0.690) 3.972 7.843 ( -0.097 -3.015 -0.900) 3.148 7.934 ( -0.132 -16.280 0.704) 16.296 8.138 ( 1.086 -14.980 -1.227) 15.070 25.010 ( -2.003 -51.936 5.351) 52.250 25.981 ( 5.542 -41.914 -12.720) 44.151 ======================= Grid point 364 (160/322) ======================= q-point: ( 0.54 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.503 -2.587 4.732) 5.599 1.803 ( -6.436 -0.788 23.624) 24.498 2.188 ( 2.122 -3.043 -10.083) 10.743 2.281 ( 1.569 1.516 -2.592) 3.388 2.337 ( -0.651 -2.828 2.539) 3.856 2.436 ( 0.255 -1.879 -1.475) 2.402 2.542 ( 0.550 -2.140 -2.632) 3.436 3.107 ( 3.033 -0.012 -11.221) 11.624 3.363 ( -1.437 -0.310 5.242) 5.445 3.602 ( 2.180 0.171 -7.486) 7.799 3.739 ( -0.436 -0.190 1.889) 1.948 4.030 ( 0.399 -0.383 -1.146) 1.272 4.282 ( -0.748 0.306 2.429) 2.559 5.059 ( -2.084 0.314 7.501) 7.791 5.067 ( 0.317 0.393 -1.551) 1.631 5.675 ( 2.148 1.120 -7.119) 7.520 7.487 ( -0.245 -3.273 1.093) 3.460 7.607 ( 0.382 -3.739 -0.520) 3.794 7.710 ( -0.156 -0.336 0.751) 0.838 7.869 ( 0.069 -0.480 -0.717) 0.865 8.210 ( 0.094 -8.401 -0.164) 8.403 8.379 ( 0.398 -6.398 -0.487) 6.428 25.674 ( -1.221 -16.600 4.462) 17.233 26.473 ( 4.029 -8.513 -12.859) 15.939 ======================= Grid point 365 (161/322) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.036 3.491 4.725) 5.965 1.798 ( -6.401 1.306 23.726) 24.609 2.216 ( 4.142 1.621 -14.432) 15.102 2.241 ( -0.845 1.102 2.062) 2.486 2.341 ( -0.697 2.517 2.526) 3.633 2.435 ( 0.479 1.963 -1.245) 2.373 2.541 ( 0.588 2.109 -2.349) 3.212 3.101 ( 3.175 0.610 -11.172) 11.631 3.369 ( -1.426 -0.263 5.080) 5.283 3.600 ( 1.949 0.030 -7.469) 7.720 3.741 ( -0.583 -0.045 1.749) 1.844 4.032 ( 0.271 0.141 -1.317) 1.352 4.281 ( -0.619 -0.185 2.582) 2.661 5.059 ( -1.944 -0.369 7.155) 7.423 5.065 ( 0.386 -0.186 -1.009) 1.097 5.664 ( 1.798 -0.024 -7.017) 7.244 7.485 ( -0.337 3.611 1.062) 3.779 7.592 ( -0.091 5.293 -0.220) 5.299 7.709 ( -0.238 0.489 0.733) 0.912 7.876 ( 0.305 -0.133 -0.785) 0.853 8.210 ( 0.014 8.318 -0.267) 8.322 8.355 ( -0.121 8.443 0.053) 8.444 25.704 ( -1.678 13.657 5.348) 14.762 26.374 ( 3.544 17.888 -12.418) 22.062 ======================= Grid point 366 (162/322) ======================= q-point: (-0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.872 8.167 6.029) 10.189 1.754 ( -6.290 3.179 23.913) 24.930 2.142 ( 3.347 4.656 -11.126) 12.517 2.216 ( -0.100 2.599 -0.684) 2.690 2.245 ( -0.767 6.619 2.292) 7.046 2.367 ( 1.000 4.630 -1.872) 5.093 2.459 ( 0.538 5.993 -1.821) 6.287 3.082 ( 3.300 1.420 -10.818) 11.399 3.373 ( -1.513 -0.184 4.862) 5.095 3.599 ( 1.871 -0.106 -7.726) 7.950 3.738 ( -0.783 0.250 1.686) 1.876 4.025 ( 0.143 0.471 -1.520) 1.597 4.289 ( -0.490 -0.561 2.773) 2.872 5.071 ( -1.766 -0.706 6.805) 7.065 5.077 ( 0.565 -0.980 -0.710) 1.336 5.676 ( 1.754 -1.246 -7.057) 7.378 7.272 ( 0.262 20.968 0.218) 20.971 7.362 ( -0.267 19.487 0.416) 19.493 7.672 ( -0.237 4.008 0.627) 4.064 7.857 ( 0.349 2.846 -1.030) 3.046 7.939 ( -0.332 16.072 0.654) 16.089 8.105 ( 0.118 13.922 -0.902) 13.952 25.085 ( -2.951 50.063 7.292) 50.677 25.764 ( 5.545 44.694 -12.404) 46.713 ======================= Grid point 367 (163/322) ======================= q-point: (-0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -1.214 10.490 8.292) 13.426 1.676 ( -6.042 4.826 23.694) 24.924 2.039 ( 3.520 6.042 -11.674) 13.608 2.087 ( -1.016 8.235 3.036) 8.835 2.137 ( -0.205 5.239 1.016) 5.340 2.273 ( 1.803 5.033 -4.450) 6.956 2.311 ( 0.656 8.687 -0.829) 8.751 3.045 ( 3.366 2.606 -10.413) 11.250 3.374 ( -1.706 -0.049 4.673) 4.975 3.602 ( 1.972 -0.262 -8.118) 8.358 3.725 ( -0.920 0.971 1.506) 2.014 4.014 ( 0.058 0.289 -1.511) 1.539 4.303 ( -0.559 -0.633 3.397) 3.501 5.079 ( -2.328 0.249 8.169) 8.498 5.114 ( 1.384 -2.402 -1.425) 3.117 5.710 ( 1.966 -2.208 -7.330) 7.904 6.615 ( 1.313 44.453 0.024) 44.472 6.723 ( -0.292 44.638 0.288) 44.639 7.512 ( -0.360 12.807 1.270) 12.875 7.655 ( -0.893 12.813 2.643) 13.113 7.732 ( 0.409 10.245 -2.064) 10.459 7.867 ( 0.630 10.000 -2.687) 10.374 23.632 ( -4.364 96.817 9.704) 97.400 24.566 ( 10.350 79.003 -21.703) 82.581 ======================= Grid point 368 (164/322) ======================= q-point: (-0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -2.065 10.613 11.282) 15.626 1.568 ( -5.658 6.179 22.791) 24.282 1.903 ( 2.967 7.462 -8.866) 11.962 1.932 ( -1.031 6.883 2.910) 7.544 2.037 ( 0.248 4.584 0.057) 4.591 2.107 ( -0.255 11.018 0.879) 11.056 2.189 ( 3.520 4.897 -6.985) 9.228 2.983 ( 3.380 3.820 -10.167) 11.374 3.369 ( -1.950 0.290 4.653) 5.053 3.608 ( 2.157 -0.428 -8.336) 8.621 3.690 ( -0.877 2.376 0.938) 2.701 4.014 ( -0.048 -0.598 -0.781) 0.985 4.314 ( -1.039 0.083 4.747) 4.860 5.051 ( -3.087 2.661 10.253) 11.034 5.181 ( 1.768 -3.397 -0.911) 3.936 5.562 ( 1.224 60.508 -0.302) 60.521 5.636 ( -0.155 63.426 -0.200) 63.426 5.759 ( 2.359 -2.541 -7.861) 8.592 7.149 ( -0.773 23.367 2.908) 23.560 7.383 ( -1.773 14.906 5.932) 16.141 7.442 ( 1.073 18.427 -4.145) 18.918 7.690 ( 1.344 8.018 -4.002) 9.061 21.198 ( -5.066 145.619 10.627) 146.094 22.589 ( 15.384 123.614 -47.050) 133.157 ======================= Grid point 369 (165/322) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -3.177 8.580 14.915) 17.497 1.443 ( -5.217 6.634 22.112) 23.668 1.769 ( 2.064 5.943 -4.532) 7.754 1.814 ( -0.425 5.272 0.175) 5.292 1.857 ( -1.138 14.524 5.430) 15.547 1.961 ( 0.773 3.027 -2.633) 4.086 2.100 ( 4.290 4.934 -9.377) 11.431 2.903 ( 3.361 4.314 -10.112) 11.496 3.351 ( -2.113 1.410 5.220) 5.805 3.607 ( 0.227 2.538 -2.431) 3.522 3.632 ( 1.324 1.143 -5.598) 5.865 3.997 ( 0.132 23.541 2.579) 23.682 4.124 ( -0.863 26.875 0.971) 26.906 4.241 ( -0.185 74.225 -0.741) 74.228 4.472 ( -0.934 18.194 1.773) 18.304 4.963 ( -4.552 6.019 14.707) 16.530 5.273 ( 1.467 -4.120 0.349) 4.388 5.808 ( 2.899 -2.052 -8.564) 9.272 6.635 ( -1.136 26.057 4.031) 26.391 7.023 ( 1.028 21.363 -5.305) 22.036 7.092 ( -1.702 14.156 9.176) 16.955 7.551 ( 2.059 6.081 -4.826) 8.032 17.969 ( -3.820 171.092 7.648) 171.305 19.589 ( 14.389 177.678 -75.693) 193.665 ======================= Grid point 372 (166/322) ======================= q-point: ( 0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -2.684 -0.000 17.614) 17.818 0.699 ( -1.662 -0.000 14.353) 14.449 1.382 ( -7.673 -0.000 29.245) 30.235 1.538 ( 2.356 0.000 -9.503) 9.791 1.689 ( -0.014 -0.000 1.383) 1.383 1.921 ( -1.413 -0.000 -0.112) 1.418 1.940 ( 4.698 0.000 -18.881) 19.457 2.076 ( -0.702 -0.000 1.511) 1.666 2.145 ( 1.413 0.000 -0.432) 1.478 2.809 ( 3.146 0.000 -10.699) 11.152 3.242 ( -2.278 -0.000 8.996) 9.280 3.471 ( -0.816 -0.000 1.116) 1.383 3.676 ( 3.163 0.000 -8.676) 9.235 4.200 ( -1.771 -0.000 1.232) 2.157 4.431 ( -4.886 -0.000 4.070) 6.359 4.743 ( -6.070 -0.000 21.766) 22.597 5.384 ( -1.917 -0.000 0.903) 2.119 5.860 ( 3.869 0.000 -8.360) 9.212 6.071 ( -0.463 -0.000 1.952) 2.006 6.518 ( 5.376 0.000 -7.802) 9.475 6.870 ( -7.867 -0.000 7.139) 10.624 7.446 ( 1.683 0.000 -5.542) 5.791 13.303 ( 1.126 0.000 -3.179) 3.373 13.396 ( 0.622 0.000 -2.139) 2.228 ======================= Grid point 373 (167/322) ======================= q-point: ( 0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -2.688 -3.908 15.395) 16.109 1.298 ( -2.391 -18.754 14.294) 23.702 1.493 ( -4.886 -18.393 17.907) 26.131 1.697 ( 0.849 -6.065 -2.477) 6.606 1.712 ( 0.335 -2.876 -1.418) 3.224 1.899 ( -0.074 -0.979 -5.863) 5.944 2.018 ( 2.468 -5.142 -11.409) 12.755 2.732 ( 0.754 -57.054 -1.755) 57.086 2.793 ( -0.271 -63.212 0.262) 63.213 2.846 ( 2.883 -5.774 -10.130) 12.011 3.293 ( -2.134 -3.344 7.230) 8.247 3.510 ( -0.322 -4.082 1.479) 4.353 3.662 ( 3.230 1.430 -8.485) 9.191 4.130 ( -1.261 5.052 1.079) 5.318 4.385 ( -4.304 1.297 6.321) 7.756 4.819 ( -5.306 -6.705 20.151) 21.891 5.343 ( -1.815 2.800 -0.166) 3.341 5.870 ( 4.229 0.484 -8.877) 9.845 6.209 ( -0.926 -14.675 3.177) 15.044 6.681 ( 4.473 -13.871 -5.658) 15.634 6.869 ( -5.327 -5.906 7.650) 11.035 7.471 ( 1.210 -2.801 -5.734) 6.496 14.792 ( -0.895 -130.373 0.702) 130.378 15.438 ( -2.993 -180.124 -32.955) 183.138 ======================= Grid point 374 (168/322) ======================= q-point: ( 0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -3.048 -7.878 12.378) 14.985 1.466 ( -5.522 -6.038 21.615) 23.112 1.787 ( 1.481 -5.349 -5.296) 7.672 1.805 ( -0.514 -5.186 1.552) 5.438 1.875 ( 0.021 -14.772 2.796) 15.034 1.945 ( -0.147 -4.202 -3.666) 5.578 2.117 ( 2.057 -5.068 -9.457) 10.925 2.919 ( 3.166 -4.378 -10.516) 11.823 3.333 ( -1.787 -1.071 5.606) 5.981 3.607 ( 0.131 -4.433 1.141) 4.580 3.641 ( 2.901 0.792 -7.847) 8.403 4.013 ( -0.351 -14.672 1.852) 14.793 4.107 ( -0.922 -36.484 2.024) 36.552 4.222 ( -0.449 -74.007 -0.743) 74.013 4.434 ( -2.535 -20.437 3.326) 20.860 4.960 ( -3.829 -6.141 15.026) 16.678 5.267 ( -1.360 3.760 -1.581) 4.300 5.851 ( 4.084 2.194 -8.675) 9.836 6.636 ( -1.036 -26.240 4.070) 26.574 7.031 ( -0.311 -18.162 3.795) 18.557 7.097 ( 0.216 -16.843 -2.016) 16.965 7.556 ( 0.969 -5.856 -5.241) 7.919 17.915 ( -2.917 -169.537 5.845) 169.662 19.204 ( -2.418 -188.236 -42.420) 192.972 ======================= Grid point 375 (169/322) ======================= q-point: ( 0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.041 -10.441 9.713) 14.580 1.587 ( -5.938 -5.868 22.019) 23.548 1.907 ( 2.085 -6.384 -9.800) 11.881 1.925 ( -0.875 -6.942 3.151) 7.674 2.044 ( -0.020 -6.330 -0.715) 6.370 2.123 ( 0.749 -10.277 -0.810) 10.336 2.213 ( 1.532 -4.767 -7.226) 8.791 3.003 ( 2.964 -3.756 -10.654) 11.679 3.345 ( -1.553 -0.362 5.373) 5.605 3.626 ( 2.987 0.683 -8.188) 8.743 3.683 ( -0.213 -2.482 1.938) 3.156 4.006 ( 0.175 0.564 -0.429) 0.730 4.304 ( -1.832 -0.517 4.240) 4.648 5.048 ( -2.684 -2.667 10.364) 11.033 5.182 ( -0.728 3.459 -2.489) 4.324 5.594 ( 0.007 -62.299 0.033) 62.299 5.623 ( -0.026 -65.013 -0.288) 65.014 5.807 ( 3.580 2.644 -8.215) 9.343 7.154 ( -0.688 -23.519 3.083) 23.730 7.369 ( -1.757 -15.700 5.546) 16.743 7.455 ( 1.691 -16.719 -4.649) 17.435 7.693 ( 0.960 -8.020 -4.015) 9.020 21.106 ( -3.209 -145.131 8.022) 145.388 22.464 ( 1.725 -141.212 -28.674) 144.104 ======================= Grid point 376 (170/322) ======================= q-point: ( 0.46 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -2.725 -10.440 7.517) 13.150 1.693 ( -6.368 -4.592 23.064) 24.364 2.020 ( 2.512 -5.254 -12.087) 13.417 2.079 ( -0.901 -8.290 3.268) 8.957 2.181 ( 0.499 -6.794 0.180) 6.815 2.285 ( 1.570 -4.649 -4.465) 6.634 2.321 ( 0.146 -7.605 -3.017) 8.183 3.064 ( 2.808 -2.386 -10.927) 11.532 3.351 ( -1.413 -0.278 5.425) 5.613 3.616 ( 2.699 0.556 -7.935) 8.400 3.718 ( -0.243 -1.097 2.171) 2.444 4.007 ( 0.508 -0.415 -0.900) 1.114 4.301 ( -1.198 0.343 2.742) 3.012 5.075 ( -2.176 -0.255 8.059) 8.351 5.117 ( -0.251 2.374 -2.447) 3.419 5.756 ( 3.023 2.725 -7.790) 8.789 6.668 ( 0.101 -44.352 -0.648) 44.356 6.749 ( 0.743 -46.047 -0.713) 46.059 7.519 ( -0.220 -12.721 1.424) 12.802 7.650 ( -0.647 -12.982 2.590) 13.254 7.721 ( 0.494 -9.592 -2.069) 9.825 7.878 ( 0.959 -10.852 -2.423) 11.160 23.533 ( -2.172 -97.838 7.355) 98.138 24.718 ( 3.426 -87.657 -17.416) 89.436 ======================= Grid point 377 (171/322) ======================= q-point: ( 0.54 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -2.243 -7.820 5.767) 9.971 1.767 ( -6.544 -2.819 23.578) 24.631 2.111 ( 2.523 -4.293 -11.243) 12.296 2.236 ( -0.708 -6.951 2.786) 7.522 2.283 ( 1.370 -2.274 -1.912) 3.272 2.367 ( 0.297 -4.315 -2.566) 5.029 2.459 ( 0.433 -5.848 -2.666) 6.441 3.096 ( 2.816 -1.037 -11.215) 11.610 3.357 ( -1.350 -0.293 5.408) 5.581 3.609 ( 2.396 0.423 -7.610) 7.989 3.734 ( -0.290 -0.399 2.075) 2.133 4.020 ( 0.547 -0.632 -1.037) 1.332 4.290 ( -0.893 0.505 2.272) 2.493 5.069 ( -2.062 0.612 7.450) 7.754 5.080 ( 0.094 1.075 -1.997) 2.270 5.710 ( 2.428 2.179 -7.461) 8.143 7.300 ( 0.057 -18.485 0.091) 18.485 7.402 ( 0.518 -19.425 -0.999) 19.457 7.677 ( -0.073 -3.875 0.702) 3.939 7.840 ( 0.041 -3.024 -0.854) 3.143 7.935 ( -0.051 -16.240 0.748) 16.257 8.143 ( 0.684 -15.001 -1.412) 15.082 25.009 ( -1.070 -51.970 5.641) 52.286 25.988 ( 3.051 -42.274 -13.787) 44.570 ======================= Grid point 378 (172/322) ======================= q-point: ( 0.62 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.595 -2.828 4.682) 5.697 1.803 ( -6.511 -0.833 23.657) 24.551 2.184 ( 2.515 -3.083 -9.977) 10.741 2.287 ( 1.108 1.678 -2.896) 3.525 2.338 ( -0.663 -2.813 2.511) 3.829 2.435 ( 0.252 -2.017 -1.406) 2.472 2.540 ( 0.576 -2.202 -2.571) 3.434 3.106 ( 2.983 -0.109 -11.320) 11.707 3.364 ( -1.374 -0.270 5.276) 5.458 3.603 ( 2.137 0.273 -7.432) 7.738 3.739 ( -0.406 -0.094 1.875) 1.921 4.031 ( 0.422 -0.292 -1.147) 1.257 4.281 ( -0.753 0.219 2.402) 2.527 5.059 ( -2.076 0.302 7.514) 7.802 5.066 ( 0.302 0.268 -1.565) 1.616 5.676 ( 2.024 1.244 -7.173) 7.556 7.487 ( -0.257 -3.229 1.094) 3.419 7.608 ( 0.220 -3.608 -0.581) 3.661 7.711 ( -0.183 -0.298 0.751) 0.829 7.868 ( 0.145 -0.565 -0.698) 0.910 8.211 ( 0.104 -8.349 -0.153) 8.351 8.380 ( 0.122 -6.291 -0.615) 6.323 25.676 ( -0.907 -16.422 4.640) 17.089 26.472 ( 2.977 -8.652 -13.371) 16.202 ======================= Grid point 379 (173/322) ======================= q-point: (-0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.991 3.201 4.766) 5.827 1.800 ( -6.399 1.234 23.769) 24.647 2.217 ( 3.973 1.183 -14.316) 14.905 2.240 ( -0.528 1.578 2.059) 2.648 2.340 ( -0.781 2.558 2.496) 3.658 2.437 ( 0.517 1.818 -1.381) 2.341 2.541 ( 0.647 2.067 -2.320) 3.174 3.102 ( 3.194 0.493 -11.087) 11.548 3.368 ( -1.479 -0.202 5.062) 5.277 3.599 ( 2.005 0.118 -7.525) 7.789 3.740 ( -0.596 0.062 1.773) 1.872 4.031 ( 0.254 0.239 -1.306) 1.352 4.282 ( -0.626 -0.275 2.595) 2.683 5.060 ( -2.006 -0.396 7.333) 7.613 5.066 ( 0.447 -0.299 -1.197) 1.312 5.663 ( 1.939 0.031 -6.969) 7.234 7.484 ( -0.294 3.601 1.077) 3.770 7.591 ( 0.099 5.332 -0.179) 5.336 7.708 ( -0.215 0.515 0.732) 0.920 7.876 ( 0.215 -0.169 -0.802) 0.847 8.209 ( 0.051 8.354 -0.247) 8.358 8.356 ( 0.121 8.456 0.116) 8.458 25.701 ( -1.927 14.004 5.140) 15.042 26.381 ( 4.532 17.198 -11.979) 21.443 ======================= Grid point 380 (174/322) ======================= q-point: (-0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.843 7.983 6.133) 10.103 1.757 ( -6.236 3.092 23.927) 24.918 2.143 ( 2.898 4.577 -10.867) 12.143 2.217 ( 0.641 2.583 -0.599) 2.728 2.243 ( -0.856 6.663 2.262) 7.088 2.372 ( 0.977 4.473 -2.267) 5.109 2.461 ( 0.678 5.935 -1.864) 6.258 3.086 ( 3.333 1.331 -10.600) 11.191 3.370 ( -1.664 -0.101 4.827) 5.107 3.598 ( 2.073 -0.059 -7.872) 8.141 3.735 ( -0.795 0.349 1.775) 1.976 4.022 ( 0.120 0.541 -1.454) 1.556 4.292 ( -0.542 -0.635 2.774) 2.897 5.072 ( -2.071 -0.672 7.498) 7.808 5.081 ( 0.803 -1.202 -1.455) 2.052 5.676 ( 2.162 -1.231 -6.963) 7.394 7.278 ( 0.783 20.375 0.476) 20.396 7.361 ( 0.003 19.696 0.320) 19.699 7.671 ( -0.175 4.008 0.628) 4.061 7.856 ( 0.155 2.879 -1.054) 3.069 7.938 ( -0.348 16.146 0.647) 16.162 8.106 ( 0.529 14.079 -0.855) 14.115 25.072 ( -3.448 50.346 6.826) 50.923 25.796 ( 7.467 43.901 -11.706) 46.045 ======================= Grid point 381 (175/322) ======================= q-point: (-0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -1.307 10.453 8.357) 13.447 1.681 ( -5.975 4.765 23.610) 24.817 2.041 ( 3.169 5.876 -11.395) 13.207 2.085 ( -1.078 8.254 3.038) 8.861 2.141 ( 0.372 5.277 1.138) 5.411 2.276 ( 1.445 5.402 -4.455) 7.150 2.317 ( 1.140 8.050 -1.508) 8.269 3.050 ( 3.388 2.567 -10.157) 11.010 3.369 ( -1.906 0.039 4.656) 5.031 3.601 ( 2.316 -0.254 -8.304) 8.624 3.720 ( -0.892 1.046 1.684) 2.174 4.011 ( 0.031 0.291 -1.380) 1.411 4.306 ( -0.702 -0.649 3.349) 3.483 5.077 ( -2.315 0.307 7.978) 8.312 5.122 ( 1.123 -2.683 -1.363) 3.212 5.713 ( 2.577 -2.189 -7.246) 7.996 6.632 ( 1.970 44.499 0.406) 44.545 6.721 ( -0.245 44.642 0.010) 44.643 7.513 ( -0.279 12.787 1.287) 12.855 7.653 ( -0.905 12.775 2.624) 13.073 7.730 ( 0.323 10.269 -2.085) 10.483 7.867 ( 0.789 10.009 -2.649) 10.384 23.611 ( -4.942 96.994 9.001) 97.536 24.612 ( 10.682 79.385 -20.893) 82.780 ======================= Grid point 382 (176/322) ======================= q-point: (-0.08 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.209 10.644 11.157) 15.577 1.575 ( -5.573 6.110 22.592) 24.058 1.908 ( 2.803 7.255 -8.571) 11.573 1.929 ( -1.056 6.900 2.821) 7.529 2.040 ( 0.322 4.774 0.110) 4.786 2.108 ( 0.116 10.804 0.515) 10.817 2.203 ( 3.227 4.801 -7.350) 9.353 2.989 ( 3.394 3.826 -9.955) 11.192 3.362 ( -2.106 0.321 4.665) 5.128 3.608 ( 2.582 -0.434 -8.487) 8.882 3.685 ( -0.791 2.431 1.220) 2.833 4.012 ( -0.116 -0.673 -0.676) 0.961 4.315 ( -1.295 0.153 4.689) 4.867 5.049 ( -2.988 2.745 10.108) 10.892 5.193 ( 1.148 -3.650 -1.022) 3.960 5.574 ( 1.177 61.067 0.056) 61.079 5.632 ( -0.311 63.437 -0.385) 63.439 5.765 ( 3.146 -2.405 -7.807) 8.754 7.149 ( -0.701 23.404 2.941) 23.598 7.380 ( -1.940 15.136 5.644) 16.270 7.443 ( 1.357 17.978 -3.994) 18.466 7.693 ( 1.278 7.827 -3.957) 8.862 21.174 ( -5.448 145.427 9.706) 145.852 22.595 ( 11.070 126.744 -44.187) 134.681 ======================= Grid point 386 (177/322) ======================= q-point: ( 0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -2.124 -0.000 15.133) 15.281 0.720 ( -1.885 -0.000 13.707) 13.836 1.383 ( -8.043 -0.000 28.438) 29.553 1.536 ( 2.549 0.000 -9.570) 9.903 1.692 ( -0.159 -0.000 1.243) 1.253 1.906 ( -1.534 -0.000 -0.092) 1.537 1.928 ( 3.408 0.000 -19.221) 19.520 2.073 ( -0.723 -0.000 1.438) 1.609 2.157 ( 1.165 0.000 -0.707) 1.363 2.810 ( 3.054 0.000 -11.008) 11.424 3.244 ( -2.251 -0.000 9.172) 9.444 3.470 ( -0.188 -0.000 1.653) 1.664 3.685 ( 3.330 0.000 -8.401) 9.037 4.188 ( -1.291 -0.000 1.360) 1.875 4.395 ( -5.260 -0.000 6.154) 8.096 4.746 ( -5.599 -0.000 22.186) 22.882 5.363 ( -2.686 -0.000 0.023) 2.686 5.875 ( 3.691 0.000 -7.977) 8.790 6.071 ( -0.484 -0.000 1.746) 1.812 6.555 ( 6.210 0.000 -7.358) 9.629 6.808 ( -8.435 -0.000 6.674) 10.756 7.443 ( 0.872 0.000 -6.129) 6.190 13.305 ( 1.029 0.000 -3.347) 3.501 13.396 ( 0.478 0.000 -2.271) 2.321 ======================= Grid point 387 (178/322) ======================= q-point: ( 0.31 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -2.549 -3.372 13.349) 14.002 1.311 ( -2.965 -17.861 14.557) 23.232 1.492 ( -4.882 -19.405 17.044) 26.285 1.698 ( 0.919 -6.748 -3.147) 7.502 1.712 ( 0.316 -2.190 -1.119) 2.480 1.881 ( -0.140 -1.135 -6.632) 6.730 2.007 ( 1.510 -5.464 -10.878) 12.266 2.734 ( 0.542 -57.462 -1.532) 57.485 2.790 ( -0.372 -63.110 0.184) 63.112 2.846 ( 2.800 -5.016 -10.637) 12.090 3.292 ( -1.987 -3.129 7.472) 8.340 3.513 ( 0.164 -4.139 1.835) 4.531 3.671 ( 3.249 1.489 -8.182) 8.929 4.123 ( -0.921 4.881 1.222) 5.115 4.360 ( -4.359 0.674 7.144) 8.396 4.824 ( -4.969 -6.656 20.529) 22.145 5.320 ( -2.486 2.544 -1.085) 3.719 5.887 ( 3.998 0.412 -8.773) 9.650 6.209 ( -0.943 -14.714 3.181) 15.083 6.713 ( 4.713 -13.014 -4.281) 14.488 6.834 ( -5.343 -7.711 5.164) 10.708 7.463 ( 0.645 -2.876 -6.233) 6.895 14.786 ( -0.652 -130.039 0.505) 130.042 15.333 ( -2.583 -174.108 -23.902) 175.760 ======================= Grid point 388 (179/322) ======================= q-point: ( 0.38 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -3.239 -7.494 11.261) 13.909 1.468 ( -5.923 -5.957 21.589) 23.166 1.784 ( 1.121 -5.161 -5.991) 7.987 1.805 ( -0.466 -5.310 2.030) 5.704 1.882 ( 0.258 -14.619 1.785) 14.729 1.933 ( -0.202 -4.678 -4.137) 6.248 2.109 ( 1.344 -5.346 -8.806) 10.390 2.920 ( 2.907 -4.367 -11.020) 12.205 3.333 ( -1.463 -1.047 5.905) 6.173 3.613 ( 0.270 -4.501 1.516) 4.757 3.649 ( 2.919 1.038 -7.795) 8.388 4.014 ( -0.557 -13.702 1.691) 13.818 4.105 ( -0.732 -37.590 2.099) 37.656 4.217 ( -0.256 -73.661 -0.614) 73.664 4.419 ( -2.451 -21.392 3.706) 21.848 4.964 ( -3.712 -6.001 15.270) 16.821 5.246 ( -1.787 3.428 -2.328) 4.513 5.866 ( 3.755 2.266 -8.773) 9.808 6.637 ( -1.046 -26.297 4.131) 26.640 7.037 ( -2.001 -16.790 8.096) 18.747 7.095 ( 1.984 -18.246 -7.039) 19.657 7.550 ( 0.726 -6.101 -5.507) 8.251 17.906 ( -2.030 -169.402 5.762) 169.512 19.081 ( -1.454 -189.946 -33.355) 192.858 ======================= Grid point 389 (180/322) ======================= q-point: ( 0.46 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -3.312 -10.335 9.196) 14.225 1.587 ( -6.228 -5.855 22.034) 23.634 1.900 ( 2.199 -6.294 -10.620) 12.539 1.925 ( -0.898 -6.892 3.272) 7.682 2.041 ( -0.097 -6.762 -1.026) 6.840 2.127 ( 0.566 -10.284 -1.074) 10.355 2.206 ( 1.043 -4.825 -6.729) 8.346 3.001 ( 2.689 -3.732 -11.121) 12.035 3.346 ( -1.216 -0.339 5.612) 5.752 3.632 ( 2.794 0.782 -7.894) 8.410 3.687 ( 0.003 -2.446 1.943) 3.124 4.008 ( 0.371 0.472 -0.433) 0.740 4.297 ( -1.825 -0.639 4.118) 4.549 5.050 ( -2.678 -2.562 10.516) 11.150 5.167 ( -0.927 3.124 -2.919) 4.375 5.593 ( -0.184 -62.424 -0.096) 62.424 5.621 ( -0.120 -65.482 -0.246) 65.483 5.818 ( 3.154 2.885 -8.395) 9.420 7.156 ( -0.756 -23.533 3.109) 23.749 7.368 ( -1.679 -15.839 5.629) 16.893 7.459 ( 1.735 -16.493 -4.897) 17.292 7.692 ( 0.898 -8.294 -4.077) 9.285 21.102 ( -1.929 -145.219 8.282) 145.468 22.404 ( 1.280 -143.945 -25.577) 146.205 ======================= Grid point 390 (181/322) ======================= q-point: ( 0.54 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -2.958 -10.473 7.263) 13.084 1.692 ( -6.607 -4.619 23.093) 24.460 2.013 ( 2.855 -5.308 -12.496) 13.873 2.079 ( -0.837 -8.312 3.285) 8.976 2.184 ( 0.082 -7.139 -0.136) 7.141 2.287 ( 1.119 -3.936 -4.688) 6.223 2.315 ( 0.182 -8.216 -2.471) 8.582 3.060 ( 2.601 -2.410 -11.300) 11.843 3.353 ( -1.148 -0.229 5.559) 5.681 3.621 ( 2.500 0.631 -7.681) 8.102 3.723 ( -0.105 -1.035 2.104) 2.348 4.010 ( 0.648 -0.411 -0.918) 1.196 4.296 ( -1.193 0.237 2.650) 2.916 5.076 ( -2.186 -0.204 8.151) 8.441 5.107 ( -0.287 2.054 -2.634) 3.352 5.763 ( 2.539 2.850 -7.977) 8.844 6.668 ( 0.216 -44.411 -0.599) 44.415 6.749 ( -0.179 -46.182 -1.149) 46.196 7.521 ( -0.309 -12.739 1.439) 12.824 7.651 ( -0.567 -13.042 2.603) 13.311 7.721 ( 0.632 -9.437 -2.045) 9.677 7.880 ( 0.833 -10.992 -2.411) 11.284 23.538 ( -0.971 -97.875 7.928) 98.201 24.693 ( 1.256 -88.922 -17.836) 90.702 ======================= Grid point 391 (182/322) ======================= q-point: (-0.38 -0.77 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -2.372 -7.979 5.635) 10.052 1.766 ( -6.725 -2.883 23.590) 24.699 2.107 ( 3.011 -4.388 -11.461) 12.636 2.237 ( -0.674 -6.948 2.807) 7.524 2.287 ( 0.563 -2.273 -2.126) 3.163 2.363 ( 0.203 -4.419 -2.269) 4.972 2.457 ( 0.589 -5.896 -2.607) 6.474 3.093 ( 2.713 -1.133 -11.449) 11.821 3.360 ( -1.194 -0.216 5.457) 5.590 3.611 ( 2.242 0.494 -7.458) 7.803 3.737 ( -0.234 -0.309 2.012) 2.049 4.023 ( 0.599 -0.555 -1.069) 1.346 4.287 ( -0.881 0.414 2.230) 2.433 5.069 ( -2.055 0.626 7.487) 7.789 5.075 ( 0.103 0.864 -2.023) 2.203 5.712 ( 2.049 2.249 -7.582) 8.170 7.301 ( 0.039 -18.474 0.135) 18.474 7.401 ( -0.133 -19.653 -1.240) 19.693 7.678 ( -0.146 -3.850 0.709) 3.918 7.839 ( 0.240 -3.015 -0.828) 3.136 7.937 ( -0.013 -16.203 0.788) 16.222 8.144 ( 0.208 -14.860 -1.539) 14.941 25.019 ( -0.314 -51.751 6.248) 52.128 25.967 ( 0.691 -42.991 -14.849) 45.488 ======================= Grid point 392 (183/322) ======================= q-point: (-0.31 -0.77 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -1.617 -3.128 4.642) 5.826 1.803 ( -6.617 -0.926 23.649) 24.575 2.184 ( 3.045 -3.128 -10.141) 11.041 2.286 ( 0.415 1.675 -2.765) 3.259 2.338 ( -0.693 -2.767 2.563) 3.835 2.434 ( 0.285 -2.140 -1.355) 2.550 2.539 ( 0.707 -2.237 -2.574) 3.483 3.104 ( 2.958 -0.259 -11.402) 11.783 3.365 ( -1.327 -0.172 5.285) 5.452 3.603 ( 2.072 0.338 -7.386) 7.679 3.741 ( -0.399 0.013 1.849) 1.892 4.032 ( 0.424 -0.188 -1.168) 1.257 4.280 ( -0.742 0.131 2.397) 2.513 5.059 ( -2.062 0.301 7.506) 7.790 5.065 ( 0.307 0.137 -1.537) 1.573 5.676 ( 1.884 1.223 -7.207) 7.549 7.487 ( -0.286 -3.201 1.092) 3.394 7.608 ( 0.031 -3.675 -0.604) 3.725 7.711 ( -0.214 -0.283 0.752) 0.832 7.868 ( 0.236 -0.565 -0.691) 0.923 8.212 ( 0.096 -8.265 -0.149) 8.267 8.378 ( -0.159 -6.484 -0.662) 6.520 25.681 ( -0.699 -15.918 4.900) 16.670 26.460 ( 2.050 -9.848 -13.759) 17.044 ======================= Grid point 393 (184/322) ======================= q-point: (-0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.012 2.887 4.800) 5.692 1.801 ( -6.435 1.119 23.741) 24.623 2.216 ( 3.765 1.699 -14.275) 14.860 2.242 ( -0.218 0.953 2.158) 2.370 2.339 ( -0.832 2.624 2.518) 3.730 2.438 ( 0.517 1.712 -1.516) 2.344 2.542 ( 0.753 2.030 -2.407) 3.238 3.103 ( 3.193 0.339 -11.036) 11.494 3.367 ( -1.524 -0.088 5.067) 5.292 3.598 ( 2.071 0.152 -7.568) 7.847 3.739 ( -0.588 0.166 1.808) 1.909 4.030 ( 0.256 0.336 -1.278) 1.346 4.282 ( -0.646 -0.351 2.586) 2.688 5.060 ( -2.051 -0.403 7.436) 7.724 5.067 ( 0.468 -0.408 -1.330) 1.468 5.664 ( 2.083 -0.062 -6.949) 7.254 7.485 ( -0.263 3.530 1.091) 3.704 7.593 ( 0.289 5.175 -0.191) 5.187 7.708 ( -0.188 0.516 0.736) 0.918 7.876 ( 0.125 -0.123 -0.804) 0.823 8.209 ( 0.074 8.362 -0.220) 8.365 8.358 ( 0.368 8.262 0.098) 8.271 25.695 ( -2.054 14.579 4.897) 15.516 26.397 ( 5.294 15.610 -11.731) 20.231 ======================= Grid point 394 (185/322) ======================= q-point: (-0.15 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.992 7.815 6.177) 10.010 1.761 ( -6.242 2.985 23.851) 24.834 2.141 ( 2.497 4.460 -10.738) 11.893 2.225 ( 1.246 2.641 -0.431) 2.952 2.241 ( -0.828 6.613 2.154) 7.004 2.374 ( 0.862 4.391 -2.552) 5.151 2.462 ( 0.782 5.841 -2.094) 6.254 3.090 ( 3.320 1.223 -10.490) 11.070 3.367 ( -1.763 0.022 4.861) 5.171 3.598 ( 2.273 -0.070 -7.965) 8.283 3.732 ( -0.745 0.434 1.891) 2.078 4.019 ( 0.146 0.609 -1.352) 1.490 4.294 ( -0.622 -0.678 2.717) 2.869 5.071 ( -2.106 -0.637 7.449) 7.767 5.085 ( 0.700 -1.366 -1.520) 2.160 5.680 ( 2.534 -1.335 -6.944) 7.512 7.288 ( 0.799 19.418 0.545) 19.442 7.364 ( 0.544 20.072 0.150) 20.080 7.672 ( -0.116 3.997 0.638) 4.049 7.854 ( -0.012 2.921 -1.048) 3.103 7.936 ( -0.342 16.231 0.649) 16.247 8.111 ( 0.934 14.302 -0.859) 14.358 25.055 ( -3.649 50.763 6.308) 51.284 25.845 ( 8.604 43.084 -11.373) 45.383 ======================= Grid point 395 (186/322) ======================= q-point: (-0.08 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.580 10.431 8.284) 13.414 1.686 ( -5.991 4.695 23.441) 24.646 2.039 ( 2.815 5.651 -11.275) 12.922 2.083 ( -1.066 8.267 3.044) 8.873 2.150 ( 0.814 5.481 1.125) 5.655 2.278 ( 1.303 5.622 -4.313) 7.204 2.324 ( 1.209 7.531 -2.352) 7.982 3.056 ( 3.354 2.514 -10.079) 10.916 3.362 ( -1.982 0.143 4.746) 5.145 3.602 ( 2.596 -0.297 -8.388) 8.786 3.717 ( -0.783 1.102 1.890) 2.324 4.008 ( 0.065 0.315 -1.224) 1.266 4.308 ( -0.858 -0.620 3.234) 3.403 5.076 ( -2.275 0.339 7.862) 8.192 5.128 ( 0.735 -2.828 -1.483) 3.277 5.721 ( 3.071 -2.259 -7.266) 8.206 6.652 ( 1.756 44.544 0.439) 44.580 6.720 ( 0.279 44.825 -0.221) 44.826 7.514 ( -0.216 12.759 1.316) 12.829 7.652 ( -0.882 12.782 2.606) 13.075 7.727 ( 0.289 10.182 -2.100) 10.400 7.868 ( 0.929 10.140 -2.585) 10.506 23.585 ( -4.990 97.250 8.250) 97.727 24.660 ( 9.940 80.916 -19.725) 83.876 ======================= Grid point 400 (187/322) ======================= q-point: ( 0.31 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -2.222 -0.000 12.642) 12.836 0.735 ( -2.535 -0.000 13.153) 13.395 1.378 ( -8.357 -0.000 27.921) 29.145 1.536 ( 2.756 0.000 -9.605) 9.993 1.693 ( -0.333 -0.000 1.108) 1.157 1.891 ( -1.359 -0.000 -0.113) 1.364 1.905 ( 2.519 0.000 -19.435) 19.598 2.070 ( -0.701 -0.000 1.441) 1.603 2.164 ( 0.770 0.000 -0.987) 1.252 2.809 ( 2.897 0.000 -11.476) 11.836 3.247 ( -2.227 -0.000 9.429) 9.689 3.476 ( 0.444 0.000 1.962) 2.011 3.696 ( 3.255 0.000 -8.084) 8.715 4.182 ( -0.732 -0.000 1.468) 1.641 4.363 ( -5.066 -0.000 7.603) 9.136 4.753 ( -5.257 -0.000 22.651) 23.253 5.332 ( -3.171 -0.000 -0.873) 3.289 5.889 ( 3.341 0.000 -7.644) 8.342 6.071 ( -0.529 -0.000 1.634) 1.717 6.599 ( 6.896 0.000 -8.107) 10.643 6.743 ( -8.280 -0.000 7.239) 10.998 7.431 ( 0.301 0.000 -6.774) 6.781 13.305 ( 0.912 0.000 -3.505) 3.621 13.393 ( 0.359 0.000 -2.398) 2.425 ======================= Grid point 401 (188/322) ======================= q-point: ( 0.38 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -2.906 -2.930 11.530) 12.246 1.318 ( -3.822 -16.850 14.923) 22.830 1.489 ( -4.809 -20.559 16.394) 26.731 1.698 ( 0.770 -6.094 -3.254) 6.951 1.713 ( 0.537 -2.793 -1.579) 3.253 1.862 ( 0.257 -1.332 -7.563) 7.683 1.990 ( 0.819 -5.785 -9.827) 11.433 2.735 ( 0.347 -57.629 -1.421) 57.647 2.787 ( -0.414 -63.007 0.100) 63.009 2.843 ( 2.656 -4.673 -11.161) 12.387 3.294 ( -1.823 -3.048 7.773) 8.546 3.522 ( 0.592 -4.040 1.920) 4.512 3.681 ( 3.046 1.552 -7.857) 8.569 4.119 ( -0.600 4.822 1.376) 5.051 4.339 ( -3.941 0.192 7.676) 8.630 4.832 ( -4.797 -6.518 20.866) 22.380 5.290 ( -2.748 2.270 -1.861) 4.021 5.901 ( 3.558 0.374 -8.698) 9.405 6.208 ( -0.963 -14.791 3.248) 15.174 6.749 ( 4.326 -11.922 -2.213) 12.874 6.794 ( -4.631 -9.448 2.272) 10.764 7.451 ( 0.349 -3.080 -6.709) 7.390 14.782 ( -0.333 -129.979 0.459) 129.981 15.261 ( -0.394 -169.818 -18.216) 170.793 ======================= Grid point 402 (189/322) ======================= q-point: ( 0.46 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -3.557 -7.221 10.420) 13.167 1.467 ( -6.342 -5.963 21.667) 23.350 1.778 ( 0.998 -5.139 -6.555) 8.389 1.806 ( -0.425 -5.385 2.009) 5.764 1.888 ( 0.029 -14.527 1.151) 14.572 1.921 ( 0.206 -4.882 -4.368) 6.554 2.097 ( 0.794 -5.645 -7.992) 9.817 2.916 ( 2.648 -4.350 -11.498) 12.575 3.336 ( -1.184 -1.064 6.137) 6.340 3.621 ( 0.432 -4.423 1.571) 4.713 3.656 ( 2.695 1.172 -7.592) 8.141 4.012 ( -0.818 -14.829 1.677) 14.946 4.104 ( -0.440 -36.383 1.956) 36.438 4.214 ( 0.028 -73.486 -0.447) 73.487 4.407 ( -2.087 -22.117 3.948) 22.563 4.969 ( -3.715 -5.807 15.433) 16.903 5.221 ( -1.789 3.049 -2.821) 4.523 5.876 ( 3.204 2.350 -8.861) 9.711 6.638 ( -1.078 -26.329 4.193) 26.683 7.035 ( -3.229 -16.376 9.776) 19.343 7.099 ( 3.177 -18.754 -9.188) 21.124 7.541 ( 0.669 -6.435 -5.733) 8.644 17.906 ( -1.145 -169.551 6.022) 169.662 18.999 ( 1.991 -190.295 -28.253) 192.391 ======================= Grid point 403 (190/322) ======================= q-point: (-0.46 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.487 -10.272 8.872) 14.014 1.584 ( -6.543 -5.879 22.143) 23.827 1.893 ( 2.513 -6.323 -11.393) 13.270 1.925 ( -0.864 -6.889 3.352) 7.709 2.037 ( -0.076 -6.988 -1.148) 7.082 2.128 ( 0.243 -10.293 -1.222) 10.368 2.197 ( 0.635 -4.963 -6.085) 7.878 2.996 ( 2.490 -3.728 -11.506) 12.348 3.351 ( -0.957 -0.302 5.716) 5.804 3.638 ( 2.476 0.852 -7.611) 8.049 3.693 ( 0.152 -2.380 1.825) 3.003 4.011 ( 0.495 0.375 -0.500) 0.798 4.291 ( -1.658 -0.705 4.080) 4.460 5.052 ( -2.724 -2.454 10.558) 11.176 5.150 ( -0.802 2.754 -3.060) 4.194 5.590 ( -0.504 -62.821 -0.082) 62.823 5.619 ( -0.063 -65.172 -0.332) 65.173 5.823 ( 2.566 3.033 -8.530) 9.410 7.156 ( -0.840 -23.524 3.112) 23.744 7.367 ( -1.590 -16.024 5.651) 17.066 7.462 ( 1.679 -16.341 -4.970) 17.162 7.689 ( 0.888 -8.580 -4.141) 9.568 21.112 ( -0.845 -145.407 8.966) 145.686 22.354 ( 2.431 -144.607 -24.634) 146.711 ======================= Grid point 404 (191/322) ======================= q-point: (-0.38 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.015 -10.521 7.114) 13.054 1.688 ( -6.845 -4.670 23.156) 24.594 2.009 ( 3.359 -5.435 -12.808) 14.314 2.080 ( -0.761 -8.325 3.256) 8.971 2.183 ( -0.292 -7.256 -0.271) 7.267 2.280 ( 0.115 -3.986 -4.355) 5.905 2.313 ( 0.739 -8.283 -2.258) 8.617 3.054 ( 2.507 -2.467 -11.568) 12.091 3.358 ( -0.968 -0.151 5.568) 5.653 3.624 ( 2.228 0.676 -7.477) 7.831 3.727 ( -0.051 -0.956 1.982) 2.201 4.014 ( 0.701 -0.389 -1.012) 1.291 4.292 ( -1.096 0.166 2.649) 2.872 5.076 ( -2.179 -0.162 7.926) 8.222 5.098 ( -0.163 1.752 -2.369) 2.951 5.763 ( 1.965 2.914 -8.097) 8.827 6.668 ( 0.099 -44.525 -0.479) 44.528 6.740 ( -0.881 -46.101 -1.426) 46.132 7.521 ( -0.422 -12.765 1.431) 12.852 7.652 ( -0.525 -13.077 2.623) 13.347 7.722 ( 0.765 -9.363 -2.026) 9.610 7.881 ( 0.679 -11.018 -2.422) 11.301 23.555 ( -0.140 -97.822 8.839) 98.221 24.649 ( 0.016 -89.165 -18.750) 91.115 ======================= Grid point 405 (192/322) ======================= q-point: (-0.31 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -2.334 -8.153 5.556) 10.138 1.762 ( -6.877 -2.975 23.585) 24.746 2.108 ( 3.536 -4.493 -11.632) 12.961 2.238 ( -0.645 -6.922 2.807) 7.497 2.283 ( -0.329 -2.252 -2.099) 3.096 2.359 ( 0.177 -4.664 -1.862) 5.025 2.457 ( 0.801 -5.890 -2.584) 6.482 3.088 ( 2.703 -1.257 -11.596) 11.973 3.363 ( -1.101 -0.106 5.428) 5.539 3.612 ( 2.053 0.525 -7.350) 7.649 3.740 ( -0.243 -0.214 1.924) 1.951 4.026 ( 0.590 -0.470 -1.152) 1.377 4.285 ( -0.822 0.341 2.253) 2.422 5.069 ( -1.554 0.578 5.155) 5.415 5.072 ( -0.297 0.743 0.388) 0.890 5.709 ( 1.661 2.206 -7.638) 8.122 7.301 ( -0.145 -18.470 0.152) 18.471 7.393 ( -0.646 -20.116 -1.277) 20.167 7.678 ( -0.233 -3.850 0.707) 3.921 7.840 ( 0.451 -2.984 -0.826) 3.129 7.939 ( -0.028 -16.173 0.809) 16.193 8.139 ( -0.203 -14.595 -1.562) 14.680 25.036 ( 0.061 -51.330 7.006) 51.806 25.924 ( -0.952 -43.908 -15.629) 46.617 ======================= Grid point 406 (193/322) ======================= q-point: (-0.23 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.561 -3.421 4.622) 5.959 1.801 ( -6.688 -1.048 23.601) 24.552 2.188 ( 3.571 -3.159 -10.558) 11.584 2.280 ( -0.314 1.494 -2.224) 2.697 2.338 ( -0.700 -2.695 2.646) 3.841 2.433 ( 0.325 -2.223 -1.304) 2.598 2.540 ( 0.835 -2.236 -2.626) 3.549 3.102 ( 2.971 -0.424 -11.446) 11.833 3.366 ( -1.307 -0.042 5.267) 5.427 3.603 ( 2.002 0.350 -7.358) 7.633 3.742 ( -0.417 0.106 1.815) 1.866 4.033 ( 0.407 -0.095 -1.203) 1.273 4.279 ( -0.718 0.063 2.415) 2.521 5.059 ( -2.030 0.305 7.419) 7.697 5.064 ( 0.315 0.035 -1.413) 1.448 5.674 ( 1.758 1.063 -7.214) 7.501 7.487 ( -0.326 -3.214 1.085) 3.407 7.605 ( -0.146 -3.928 -0.582) 3.974 7.710 ( -0.241 -0.296 0.753) 0.844 7.869 ( 0.322 -0.478 -0.695) 0.903 8.212 ( 0.064 -8.187 -0.163) 8.189 8.373 ( -0.371 -6.903 -0.609) 6.940 25.688 ( -0.649 -15.210 5.177) 16.081 26.439 ( 1.468 -11.824 -13.925) 18.327 ======================= Grid point 407 (194/322) ======================= q-point: (-0.15 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.093 2.622 4.817) 5.592 1.801 ( -6.457 0.988 23.666) 24.551 2.212 ( 2.985 2.508 -13.065) 13.634 2.248 ( 0.616 -0.093 1.021) 1.196 2.338 ( -0.819 2.698 2.561) 3.810 2.438 ( 0.471 1.666 -1.593) 2.353 2.543 ( 0.805 2.015 -2.557) 3.353 3.105 ( 3.176 0.182 -11.028) 11.478 3.366 ( -1.548 0.053 5.095) 5.325 3.599 ( 2.132 0.128 -7.585) 7.880 3.738 ( -0.563 0.242 1.845) 1.944 4.029 ( 0.277 0.412 -1.238) 1.334 4.283 ( -0.674 -0.398 2.557) 2.674 5.060 ( -2.075 -0.390 7.475) 7.767 5.068 ( 0.448 -0.487 -1.414) 1.562 5.667 ( 2.194 -0.281 -6.959) 7.302 7.485 ( -0.249 3.445 1.097) 3.624 7.596 ( 0.435 4.853 -0.250) 4.879 7.709 ( -0.163 0.491 0.743) 0.905 7.874 ( 0.054 -0.006 -0.793) 0.795 8.210 ( 0.077 8.368 -0.198) 8.371 8.363 ( 0.564 7.862 0.009) 7.882 25.687 ( -2.030 15.270 4.663) 16.094 26.420 ( 5.662 13.470 -11.715) 18.728 ======================= Grid point 408 (195/322) ======================= q-point: (-0.08 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -1.277 7.701 6.150) 9.938 1.763 ( -6.273 2.885 23.731) 24.715 2.135 ( 2.208 4.340 -10.735) 11.788 2.237 ( -0.178 5.730 2.250) 6.159 2.240 ( 1.100 3.511 -0.562) 3.722 2.375 ( 0.710 4.360 -2.701) 5.178 2.464 ( 0.759 5.762 -2.396) 6.287 3.094 ( 3.255 1.113 -10.520) 11.068 3.362 ( -1.776 0.156 4.965) 5.275 3.599 ( 2.423 -0.132 -7.979) 8.339 3.731 ( -0.647 0.486 2.000) 2.158 4.017 ( 0.219 0.663 -1.237) 1.420 4.294 ( -0.711 -0.685 2.616) 2.796 5.071 ( -2.101 -0.610 7.364) 7.682 5.086 ( 0.517 -1.436 -1.585) 2.200 5.688 ( 2.780 -1.533 -7.007) 7.693 7.295 ( 0.416 18.650 0.419) 18.659 7.373 ( 1.150 20.205 -0.058) 20.237 7.673 ( -0.065 3.977 0.655) 4.031 7.851 ( -0.120 2.961 -1.013) 3.132 7.935 ( -0.303 16.290 0.656) 16.306 8.119 ( 1.221 14.565 -0.921) 14.645 25.036 ( -3.459 51.240 5.793) 51.682 25.900 ( 8.659 42.392 -11.425) 44.750 ======================= Grid point 414 (196/322) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -2.964 -0.000 10.749) 11.150 0.740 ( -3.471 -0.000 12.784) 13.247 1.370 ( -8.453 -0.000 27.795) 29.052 1.538 ( 2.947 0.000 -9.593) 10.036 1.692 ( -0.526 -0.000 1.004) 1.134 1.875 ( 2.196 0.000 -19.512) 19.635 1.879 ( -0.920 -0.000 -0.159) 0.933 2.067 ( -0.633 -0.000 1.516) 1.643 2.166 ( 0.318 0.000 -1.219) 1.260 2.805 ( 2.733 0.000 -11.938) 12.247 3.251 ( -2.258 -0.000 9.694) 9.954 3.489 ( 0.958 0.000 1.938) 2.162 3.705 ( 2.956 0.000 -7.787) 8.329 4.181 ( -0.284 -0.000 1.591) 1.616 4.338 ( -4.247 -0.000 8.480) 9.484 4.764 ( -5.121 -0.000 23.027) 23.589 5.297 ( -3.169 -0.000 -1.545) 3.526 5.899 ( 2.904 0.000 -7.438) 7.984 6.070 ( -0.589 -0.000 1.637) 1.740 6.640 ( 6.635 0.000 -15.029) 16.428 6.691 ( -6.974 -0.000 13.940) 15.587 7.414 ( 0.103 0.000 -7.313) 7.313 13.304 ( 0.798 0.000 -3.618) 3.705 13.390 ( 0.296 0.000 -2.490) 2.508 ======================= Grid point 415 (197/322) ======================= q-point: (-0.54 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -3.635 -2.718 10.442) 11.386 1.317 ( -4.692 -16.138 15.179) 22.646 1.486 ( -4.726 -21.332 16.159) 27.175 1.695 ( 0.471 -4.474 -3.038) 5.429 1.714 ( 0.894 -4.290 -2.517) 5.054 1.847 ( 1.082 -1.677 -8.413) 8.646 1.971 ( 0.484 -5.967 -8.426) 10.336 2.734 ( 0.186 -57.637 -1.409) 57.655 2.783 ( -0.361 -62.857 0.013) 62.858 2.838 ( 2.532 -4.773 -11.526) 12.729 3.298 ( -1.752 -3.098 8.023) 8.777 3.535 ( 0.890 -3.829 1.718) 4.290 3.688 ( 2.654 1.607 -7.578) 8.188 4.118 ( -0.361 4.850 1.579) 5.113 4.326 ( -3.023 -0.092 7.932) 8.489 4.842 ( -4.809 -6.315 21.076) 22.521 5.258 ( -2.463 1.984 -2.292) 3.906 5.910 ( 2.985 0.401 -8.691) 9.198 6.208 ( -0.981 -14.888 3.361) 15.294 6.756 ( -4.519 -10.467 3.321) 11.875 6.785 ( 4.462 -11.139 -3.721) 12.563 7.435 ( 0.387 -3.359 -7.043) 7.813 14.782 ( -0.011 -130.200 0.574) 130.201 15.228 ( 3.110 -167.816 -15.861) 168.592 ======================= Grid point 416 (198/322) ======================= q-point: (-0.46 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.886 -7.141 10.107) 12.971 1.461 ( -6.690 -6.025 21.796) 23.583 1.769 ( 1.114 -5.267 -7.199) 8.989 1.808 ( -0.362 -5.390 1.964) 5.748 1.887 ( -0.660 -13.973 0.632) 14.003 1.916 ( 1.092 -5.390 -4.077) 6.846 2.082 ( 0.446 -5.865 -7.142) 9.253 2.910 ( 2.507 -4.333 -11.831) 12.846 3.342 ( -1.036 -1.117 6.241) 6.424 3.629 ( 0.517 -4.275 1.394) 4.526 3.660 ( 2.298 1.231 -7.386) 7.832 4.007 ( -1.123 -17.455 1.777) 17.582 4.107 ( -0.074 -33.605 1.657) 33.646 4.215 ( 0.333 -73.570 -0.305) 73.571 4.400 ( -1.467 -22.296 4.094) 22.716 4.974 ( -3.806 -5.593 15.477) 16.891 5.197 ( -1.340 2.685 -2.930) 4.194 5.880 ( 2.519 2.448 -8.941) 9.606 6.638 ( -1.123 -26.331 4.241) 26.694 7.028 ( -3.154 -16.918 8.693) 19.280 7.106 ( 2.918 -18.348 -8.243) 20.326 7.533 ( 0.807 -6.771 -5.870) 8.998 17.915 ( -0.454 -169.949 6.569) 170.077 18.970 ( 7.543 -189.446 -27.407) 191.567 ======================= Grid point 417 (199/322) ======================= q-point: (-0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -3.502 -10.270 8.835) 13.992 1.579 ( -6.796 -5.924 22.291) 24.045 1.888 ( 2.902 -6.495 -11.822) 13.797 1.926 ( -0.748 -6.900 3.294) 7.682 2.034 ( 0.029 -6.980 -1.102) 7.066 2.126 ( -0.082 -10.199 -1.226) 10.273 2.186 ( 0.331 -5.239 -5.394) 7.527 2.988 ( 2.449 -3.742 -11.735) 12.558 3.358 ( -0.829 -0.264 5.677) 5.744 3.640 ( 2.087 0.881 -7.415) 7.754 3.699 ( 0.174 -2.299 1.616) 2.816 4.014 ( 0.507 0.279 -0.617) 0.846 4.287 ( -1.348 -0.678 4.138) 4.405 5.053 ( -2.766 -2.352 10.446) 11.059 5.136 ( -0.402 2.423 -2.832) 3.749 5.582 ( -1.002 -63.206 -0.178) 63.215 5.619 ( 0.248 -64.362 -0.292) 64.364 5.822 ( 1.913 3.061 -8.605) 9.331 7.156 ( -0.920 -23.493 3.090) 23.714 7.367 ( -1.471 -16.201 5.629) 17.214 7.464 ( 1.483 -16.318 -4.876) 17.096 7.687 ( 0.933 -8.810 -4.195) 9.802 21.133 ( -0.203 -145.651 9.907) 145.988 22.323 ( 5.218 -143.133 -25.840) 145.540 ======================= Grid point 418 (200/322) ======================= q-point: (-0.31 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -2.870 -10.570 7.110) 13.058 1.683 ( -6.987 -4.733 23.220) 24.706 2.010 ( 3.866 -5.601 -12.973) 14.650 2.082 ( -0.686 -8.320 3.214) 8.945 2.177 ( -0.642 -7.106 -0.227) 7.139 2.268 ( -0.238 -4.481 -3.670) 5.797 2.315 ( 0.809 -8.122 -2.255) 8.468 3.048 ( 2.561 -2.537 -11.690) 12.233 3.364 ( -0.897 -0.063 5.470) 5.543 3.624 ( 1.927 0.679 -7.363) 7.641 3.732 ( -0.105 -0.876 1.823) 2.025 4.018 ( 0.653 -0.363 -1.166) 1.385 4.289 ( -0.921 0.158 2.744) 2.899 5.076 ( -1.975 -0.083 6.857) 7.136 5.092 ( -0.081 1.481 -1.127) 1.862 5.758 ( 1.421 2.901 -8.124) 8.743 6.665 ( -0.618 -44.758 -0.616) 44.766 6.727 ( -0.819 -45.738 -1.208) 45.761 7.520 ( -0.522 -12.787 1.400) 12.874 7.654 ( -0.534 -13.086 2.646) 13.362 7.725 ( 0.853 -9.384 -2.016) 9.636 7.880 ( 0.532 -10.932 -2.457) 11.218 23.581 ( 0.107 -97.685 9.824) 98.177 24.597 ( 0.112 -88.324 -19.870) 90.531 ======================= Grid point 419 (201/322) ======================= q-point: (-0.23 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -2.128 -8.304 5.548) 10.211 1.758 ( -6.920 -3.076 23.574) 24.761 2.113 ( 3.949 -4.581 -11.738) 13.204 2.239 ( -0.620 -6.866 2.768) 7.428 2.270 ( -1.013 -2.260 -1.820) 3.074 2.357 ( 0.265 -4.918 -1.504) 5.150 2.458 ( 0.869 -5.873 -2.536) 6.456 3.083 ( 2.787 -1.375 -11.629) 12.037 3.367 ( -1.081 0.010 5.336) 5.445 3.612 ( 1.866 0.506 -7.305) 7.557 3.742 ( -0.319 -0.136 1.825) 1.858 4.028 ( 0.522 -0.401 -1.268) 1.429 4.283 ( -0.726 0.306 2.339) 2.468 5.067 ( -0.409 0.472 0.820) 1.031 5.071 ( -1.278 0.748 4.855) 5.075 5.703 ( 1.349 2.057 -7.616) 8.003 7.298 ( -0.534 -18.713 0.028) 18.721 7.383 ( -0.819 -20.483 -0.994) 20.523 7.677 ( -0.305 -3.875 0.693) 3.948 7.843 ( 0.615 -2.937 -0.847) 3.118 7.940 ( -0.086 -16.140 0.802) 16.160 8.132 ( -0.459 -14.286 -1.477) 14.369 25.056 ( -0.050 -50.817 7.681) 51.394 25.868 ( -1.467 -44.794 -15.887) 47.550 ======================= Grid point 420 (202/322) ======================= q-point: (-0.15 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.441 -3.643 4.626) 6.062 1.799 ( -6.673 -1.171 23.558) 24.513 2.196 ( 3.989 -3.136 -11.267) 12.357 2.269 ( -0.881 1.165 -1.342) 1.983 2.338 ( -0.670 -2.615 2.694) 3.814 2.433 ( 0.355 -2.250 -1.241) 2.594 2.541 ( 0.854 -2.212 -2.650) 3.556 3.101 ( 3.016 -0.566 -11.436) 11.840 3.367 ( -1.312 0.091 5.226) 5.389 3.603 ( 1.944 0.305 -7.352) 7.611 3.742 ( -0.456 0.164 1.781) 1.846 4.033 ( 0.376 -0.037 -1.244) 1.300 4.279 ( -0.685 0.032 2.453) 2.547 5.059 ( -1.966 0.306 7.205) 7.475 5.063 ( 0.301 -0.003 -1.154) 1.193 5.672 ( 1.673 0.800 -7.191) 7.426 7.487 ( -0.365 -3.286 1.071) 3.476 7.602 ( -0.265 -4.308 -0.514) 4.346 7.710 ( -0.258 -0.334 0.750) 0.861 7.871 ( 0.382 -0.325 -0.710) 0.869 8.212 ( 0.019 -8.153 -0.196) 8.155 8.368 ( -0.469 -7.416 -0.467) 7.446 25.695 ( -0.770 -14.477 5.397) 15.470 26.415 ( 1.366 -14.111 -13.820) 19.798 ======================= Grid point 421 (203/322) ======================= q-point: (-0.08 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.220 2.468 4.810) 5.542 1.802 ( -6.444 0.874 23.603) 24.482 2.205 ( 2.272 2.887 -11.524) 12.095 2.259 ( 1.368 -0.787 -0.614) 1.694 2.337 ( -0.755 2.767 2.597) 3.869 2.438 ( 0.390 1.683 -1.599) 2.354 2.543 ( 0.754 2.030 -2.672) 3.439 3.106 ( 3.143 0.056 -11.061) 11.499 3.364 ( -1.540 0.187 5.140) 5.369 3.599 ( 2.176 0.054 -7.573) 7.880 3.738 ( -0.524 0.273 1.873) 1.964 4.029 ( 0.315 0.449 -1.197) 1.317 4.283 ( -0.704 -0.405 2.515) 2.643 5.059 ( -2.086 -0.365 7.484) 7.778 5.068 ( 0.405 -0.514 -1.473) 1.611 5.670 ( 2.246 -0.576 -6.998) 7.373 7.486 ( -0.245 3.374 1.096) 3.556 7.600 ( 0.504 4.441 -0.338) 4.482 7.709 ( -0.146 0.446 0.748) 0.883 7.872 ( 0.018 0.157 -0.770) 0.786 8.210 ( 0.075 8.389 -0.185) 8.391 8.369 ( 0.650 7.322 -0.137) 7.352 25.680 ( -1.856 15.934 4.485) 16.657 26.444 ( 5.543 11.250 -11.933) 17.311 ======================= Grid point 428 (204/322) ======================= q-point: (-0.54 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -4.067 -0.000 10.030) 10.823 0.736 ( -4.500 -0.000 12.661) 13.437 1.363 ( -8.348 -0.000 27.999) 29.217 1.542 ( 3.082 0.000 -9.539) 10.024 1.688 ( -0.716 -0.000 0.951) 1.191 1.844 ( 2.516 0.000 -19.476) 19.638 1.873 ( -0.274 -0.000 -0.191) 0.334 2.066 ( -0.529 -0.000 1.644) 1.727 2.164 ( -0.122 -0.000 -1.366) 1.371 2.799 ( 2.671 0.000 -12.250) 12.538 3.255 ( -2.406 -0.000 9.879) 10.167 3.505 ( 1.231 0.000 1.600) 2.019 3.711 ( 2.497 0.000 -7.572) 7.974 4.185 ( 0.103 0.000 1.800) 1.803 4.326 ( -2.804 -0.000 8.830) 9.265 4.776 ( -5.196 -0.000 23.253) 23.826 5.264 ( -2.517 -0.000 -1.783) 3.084 5.905 ( 2.416 0.000 -7.423) 7.806 6.068 ( -0.651 -0.000 1.758) 1.875 6.620 ( -1.936 -0.000 -8.352) 8.573 6.709 ( 2.550 0.000 7.085) 7.529 7.395 ( 0.299 0.000 -7.623) 7.629 13.301 ( 0.706 0.000 -3.664) 3.731 13.386 ( 0.310 0.000 -2.523) 2.542 ======================= Grid point 429 (205/322) ======================= q-point: (-0.46 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -4.449 -2.789 10.464) 11.707 1.308 ( -5.341 -16.019 15.143) 22.681 1.484 ( -4.725 -21.386 16.467) 27.402 1.691 ( 0.312 -3.085 -3.065) 4.360 1.716 ( 1.120 -5.491 -3.218) 6.462 1.839 ( 2.142 -2.222 -9.148) 9.655 1.955 ( 0.525 -5.877 -6.852) 9.043 2.731 ( 0.084 -57.587 -1.496) 57.607 2.780 ( -0.207 -62.608 -0.063) 62.608 2.831 ( 2.527 -5.270 -11.629) 13.015 3.303 ( -1.837 -3.254 8.150) 8.966 3.548 ( 0.965 -3.568 1.286) 3.914 3.691 ( 2.143 1.651 -7.405) 7.884 4.120 ( -0.041 4.979 1.820) 5.302 4.323 ( -1.773 -0.125 7.946) 8.142 4.851 ( -4.971 -6.087 21.163) 22.575 5.232 ( -1.593 1.749 -2.259) 3.271 5.912 ( 2.332 0.500 -8.779) 9.097 6.207 ( -0.989 -14.982 3.494) 15.415 6.723 ( -3.038 -11.789 0.197) 12.176 6.817 ( 3.014 -9.647 -0.647) 10.127 7.421 ( 0.733 -3.647 -7.170) 8.078 14.785 ( 0.241 -130.650 0.825) 130.653 15.237 ( 7.845 -168.401 -16.704) 169.409 ======================= Grid point 430 (206/322) ======================= q-point: (-0.38 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -4.085 -7.263 10.448) 13.364 1.453 ( -6.898 -6.118 21.915) 23.776 1.761 ( 1.364 -5.490 -7.623) 9.493 1.810 ( -0.273 -5.358 1.975) 5.717 1.881 ( -0.942 -13.391 0.680) 13.441 1.918 ( 1.588 -5.811 -3.932) 7.194 2.068 ( 0.368 -5.925 -6.387) 8.720 2.902 ( 2.546 -4.315 -11.965) 12.971 3.349 ( -1.041 -1.208 6.213) 6.415 3.638 ( 0.435 -4.100 1.054) 4.255 3.661 ( 1.817 1.206 -7.265) 7.585 4.000 ( -1.327 -20.495 1.934) 20.628 4.112 ( 0.249 -30.470 1.296) 30.499 4.219 ( 0.600 -73.875 -0.248) 73.878 4.400 ( -0.664 -21.747 4.140) 22.148 4.977 ( -3.930 -5.402 15.466) 16.847 5.180 ( -0.510 2.422 -2.661) 3.634 5.877 ( 1.795 2.544 -9.012) 9.534 6.639 ( -1.171 -26.302 4.267) 26.671 7.021 ( -2.449 -17.656 7.076) 19.178 7.110 ( 1.900 -17.790 -6.408) 19.005 7.526 ( 1.095 -7.031 -5.898) 9.242 17.932 ( -0.105 -170.506 7.279) 170.661 19.001 ( 14.804 -187.581 -30.824) 190.673 ======================= Grid point 431 (207/322) ======================= q-point: (-0.31 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -3.326 -10.315 9.105) 14.154 1.572 ( -6.889 -5.981 22.440) 24.223 1.886 ( 3.213 -6.777 -11.824) 14.002 1.928 ( -0.618 -6.900 3.166) 7.617 2.032 ( 0.186 -6.728 -0.965) 6.800 2.121 ( -0.264 -10.052 -1.031) 10.108 2.175 ( 0.195 -5.593 -4.842) 7.400 2.981 ( 2.578 -3.762 -11.779) 12.631 3.365 ( -0.832 -0.237 5.531) 5.599 3.638 ( 1.692 0.859 -7.349) 7.590 3.704 ( 0.048 -2.228 1.353) 2.607 4.017 ( 0.432 0.206 -0.749) 0.889 4.287 ( -0.983 -0.555 4.269) 4.416 5.054 ( -2.759 -2.269 10.330) 10.930 5.127 ( 0.169 2.206 -2.393) 3.259 5.570 ( -1.210 -62.932 -0.418) 62.946 5.622 ( 0.451 -63.806 -0.113) 63.808 5.815 ( 1.308 2.982 -8.611) 9.207 7.155 ( -0.978 -23.447 3.049) 23.665 7.368 ( -1.331 -16.282 5.613) 17.274 7.465 ( 1.170 -16.485 -4.680) 17.176 7.685 ( 1.023 -8.932 -4.227) 9.935 21.160 ( -0.144 -145.880 10.861) 146.283 22.320 ( 9.338 -139.750 -28.958) 143.024 ======================= Grid point 432 (208/322) ======================= q-point: (-0.23 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -2.541 -10.604 7.253) 13.096 1.677 ( -6.958 -4.797 23.296) 24.782 2.014 ( 4.199 -5.777 -12.969) 14.805 2.084 ( -0.634 -8.298 3.167) 8.904 2.169 ( -0.992 -6.690 -0.046) 6.763 2.258 ( 0.102 -4.879 -3.164) 5.816 2.316 ( 0.541 -8.226 -2.066) 8.499 3.042 ( 2.735 -2.598 -11.652) 12.248 3.370 ( -0.927 0.016 5.305) 5.385 3.622 ( 1.658 0.633 -7.357) 7.568 3.735 ( -0.259 -0.818 1.653) 1.863 4.021 ( 0.530 -0.344 -1.343) 1.485 4.289 ( -0.713 0.218 2.909) 3.004 5.075 ( -1.588 0.032 5.774) 5.988 5.090 ( -0.083 1.293 0.228) 1.315 5.748 ( 1.024 2.810 -8.054) 8.592 6.651 ( -1.605 -44.994 -1.094) 45.036 6.720 ( -0.132 -45.233 -0.439) 45.235 7.518 ( -0.580 -12.802 1.357) 12.886 7.656 ( -0.591 -13.069 2.665) 13.351 7.728 ( 0.867 -9.502 -2.013) 9.751 7.878 ( 0.424 -10.759 -2.515) 11.057 23.608 ( -0.280 -97.473 10.574) 98.045 24.549 ( 1.577 -86.539 -20.899) 89.041 ======================= Grid point 433 (209/322) ======================= q-point: (-0.15 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.796 -8.396 5.614) 10.259 1.754 ( -6.825 -3.164 23.603) 24.772 2.122 ( 4.134 -4.641 -11.759) 13.300 2.240 ( -0.686 -6.556 2.442) 7.030 2.255 ( -1.224 -2.561 -1.185) 3.076 2.356 ( 0.445 -5.041 -1.300) 5.225 2.460 ( 0.760 -5.892 -2.398) 6.407 3.080 ( 2.933 -1.458 -11.542) 11.997 3.370 ( -1.124 0.111 5.209) 5.330 3.610 ( 1.725 0.435 -7.331) 7.544 3.744 ( -0.444 -0.096 1.733) 1.791 4.029 ( 0.418 -0.367 -1.390) 1.497 4.283 ( -0.617 0.321 2.466) 2.562 5.066 ( -0.097 0.455 0.397) 0.612 5.072 ( -1.400 0.760 5.434) 5.663 5.695 ( 1.183 1.836 -7.520) 7.831 7.291 ( -0.931 -19.428 -0.203) 19.452 7.373 ( -0.666 -20.394 -0.440) 20.410 7.676 ( -0.341 -3.917 0.672) 3.989 7.847 ( 0.688 -2.888 -0.885) 3.098 7.941 ( -0.163 -16.097 0.770) 16.117 8.123 ( -0.534 -14.025 -1.321) 14.097 25.075 ( -0.605 -50.350 8.050) 50.993 25.813 ( -0.745 -45.405 -15.506) 47.985 ======================= Grid point 434 (210/322) ======================= q-point: (-0.08 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.288 -3.740 4.648) 6.104 1.798 ( -6.581 -1.268 23.568) 24.503 2.205 ( 4.252 -2.976 -12.340) 13.387 2.257 ( -1.180 0.689 -0.151) 1.375 2.339 ( -0.634 -2.550 2.677) 3.751 2.433 ( 0.382 -2.210 -1.185) 2.537 2.542 ( 0.760 -2.180 -2.591) 3.470 3.100 ( 3.077 -0.652 -11.373) 11.800 3.368 ( -1.337 0.199 5.172) 5.346 3.602 ( 1.913 0.211 -7.372) 7.619 3.742 ( -0.505 0.173 1.754) 1.834 4.033 ( 0.338 -0.025 -1.282) 1.326 4.279 ( -0.652 0.046 2.501) 2.585 5.059 ( -1.902 0.309 6.994) 7.255 5.063 ( 0.286 0.023 -0.898) 0.943 5.669 ( 1.650 0.494 -7.143) 7.348 7.486 ( -0.385 -3.409 1.058) 3.590 7.598 ( -0.297 -4.721 -0.413) 4.749 7.710 ( -0.262 -0.387 0.745) 0.879 7.873 ( 0.400 -0.144 -0.733) 0.848 8.211 ( -0.013 -8.181 -0.236) 8.184 8.362 ( -0.446 -7.893 -0.274) 7.910 25.701 ( -1.028 -13.902 5.504) 14.987 26.393 ( 1.759 -16.168 -13.467) 21.116 ======================= Grid point 442 (211/322) ======================= q-point: (-0.46 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -5.121 -0.000 10.790) 11.943 0.721 ( -5.400 -0.000 12.820) 13.911 1.358 ( -8.225 -0.000 28.422) 29.588 1.547 ( 3.118 0.000 -9.469) 9.970 1.683 ( -0.852 -0.000 0.966) 1.288 1.821 ( 3.456 0.000 -19.358) 19.664 1.873 ( 0.468 0.000 -0.182) 0.502 2.066 ( -0.411 -0.000 1.795) 1.842 2.157 ( -0.497 -0.000 -1.404) 1.489 2.792 ( 2.781 0.000 -12.344) 12.654 3.257 ( -2.683 -0.000 9.921) 10.278 3.520 ( 1.174 0.000 1.056) 1.579 3.713 ( 1.977 0.000 -7.499) 7.756 4.194 ( 0.749 0.000 1.962) 2.100 4.331 ( -1.073 -0.000 8.722) 8.788 4.787 ( -5.454 -0.000 23.352) 23.980 5.241 ( -1.207 -0.000 -1.486) 1.915 5.906 ( 1.892 0.000 -7.632) 7.863 6.067 ( -0.701 -0.000 1.975) 2.095 6.580 ( -2.042 -0.000 -6.182) 6.510 6.756 ( 3.385 0.000 4.822) 5.891 7.380 ( 0.814 0.000 -7.652) 7.695 13.298 ( 0.653 0.000 -3.632) 3.690 13.383 ( 0.403 0.000 -2.490) 2.522 ======================= Grid point 443 (212/322) ======================= q-point: (-0.38 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -5.052 -3.098 11.651) 13.071 1.294 ( -5.667 -16.432 14.864) 22.871 1.482 ( -4.848 -20.853 17.244) 27.490 1.685 ( 0.374 -2.307 -3.236) 3.992 1.719 ( 1.172 -6.100 -3.457) 7.108 1.839 ( 3.210 -2.834 -9.952) 10.835 1.946 ( 0.883 -5.457 -5.322) 7.674 2.727 ( 0.086 -57.515 -1.703) 57.540 2.779 ( 0.001 -62.276 -0.101) 62.277 2.826 ( 2.673 -6.061 -11.459) 13.236 3.306 ( -2.058 -3.494 8.137) 9.092 3.560 ( 0.759 -3.317 0.732) 3.481 3.690 ( 1.625 1.683 -7.386) 7.747 4.128 ( 0.499 5.298 1.948) 5.666 4.334 ( -0.515 0.089 7.761) 7.779 4.858 ( -5.254 -5.886 21.191) 22.612 5.217 ( -0.233 1.658 -1.770) 2.436 5.908 ( 1.652 0.650 -8.961) 9.135 6.207 ( -0.987 -15.049 3.616) 15.509 6.697 ( -1.731 -12.821 -2.023) 13.095 6.841 ( 1.524 -8.112 1.975) 8.487 7.412 ( 1.279 -3.878 -7.081) 8.174 14.791 ( 0.365 -131.234 1.154) 131.240 15.292 ( 13.679 -171.658 -20.875) 173.463 ======================= Grid point 444 (213/322) ======================= q-point: (-0.31 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -4.070 -7.522 11.362) 14.221 1.445 ( -6.915 -6.245 22.002) 23.894 1.755 ( 1.638 -5.731 -7.618) 9.673 1.813 ( -0.226 -5.305 2.051) 5.692 1.874 ( -1.108 -13.610 1.505) 13.738 1.925 ( 1.950 -5.373 -4.311) 7.159 2.056 ( 0.651 -5.800 -5.899) 8.298 2.896 ( 2.736 -4.296 -11.895) 12.939 3.355 ( -1.160 -1.334 6.088) 6.339 3.643 ( 0.149 -3.827 0.538) 3.868 3.657 ( 1.385 0.973 -7.168) 7.365 3.992 ( -1.320 -23.146 2.091) 23.278 4.118 ( 0.424 -27.789 0.957) 27.808 4.225 ( 0.779 -74.196 -0.293) 74.201 4.409 ( 0.181 -20.638 4.006) 21.024 4.980 ( -4.085 -5.279 15.510) 16.885 5.174 ( 0.572 2.353 -2.148) 3.237 5.867 ( 1.145 2.604 -9.061) 9.497 6.638 ( -1.211 -26.247 4.267) 26.619 7.019 ( -1.519 -18.336 5.423) 19.181 7.108 ( 0.623 -17.322 -4.207) 17.837 7.522 ( 1.454 -7.164 -5.816) 9.342 17.951 ( -0.179 -171.096 7.994) 171.283 19.093 ( 22.830 -184.866 -38.363) 190.180 ======================= Grid point 445 (214/322) ======================= q-point: (-0.23 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.990 -10.379 9.614) 14.460 1.565 ( -6.778 -6.045 22.589) 24.346 1.887 ( 3.340 -7.091 -11.439) 13.867 1.931 ( -0.567 -6.893 3.055) 7.561 2.032 ( 0.301 -6.237 -0.790) 6.294 2.116 ( -0.249 -10.100 -0.577) 10.120 2.165 ( 0.384 -5.788 -4.686) 7.457 2.976 ( 2.813 -3.780 -11.641) 12.559 3.371 ( -0.937 -0.227 5.328) 5.414 3.633 ( 1.380 0.787 -7.414) 7.582 3.707 ( -0.195 -2.190 1.081) 2.450 4.019 ( 0.327 0.187 -0.860) 0.939 4.291 ( -0.688 -0.378 4.427) 4.496 5.055 ( -2.776 -2.241 10.450) 11.042 5.126 ( 0.852 2.178 -2.056) 3.114 5.558 ( -0.950 -62.116 -0.654) 62.126 5.627 ( 0.465 -63.570 0.048) 63.571 5.802 ( 0.870 2.831 -8.547) 9.045 7.153 ( -1.002 -23.398 2.997) 23.611 7.371 ( -1.202 -16.192 5.646) 17.190 7.462 ( 0.824 -16.858 -4.464) 17.458 7.684 ( 1.135 -8.923 -4.230) 9.940 21.187 ( -0.670 -146.022 11.592) 146.483 22.350 ( 13.941 -135.015 -33.554) 139.819 ======================= Grid point 446 (215/322) ======================= q-point: (-0.15 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -2.102 -10.609 7.511) 13.167 1.672 ( -6.763 -4.847 23.409) 24.844 2.021 ( 4.268 -5.940 -12.785) 14.729 2.087 ( -0.642 -8.267 3.103) 8.854 2.158 ( -1.210 -6.140 0.225) 6.262 2.254 ( 0.821 -5.136 -2.990) 6.000 2.314 ( 0.230 -8.467 -1.729) 8.645 3.039 ( 2.959 -2.634 -11.461) 12.127 3.374 ( -1.037 0.074 5.113) 5.217 3.617 ( 1.490 0.545 -7.456) 7.623 3.736 ( -0.475 -0.800 1.503) 1.768 4.021 ( 0.380 -0.331 -1.496) 1.578 4.291 ( -0.539 0.331 3.099) 3.163 5.076 ( -1.535 0.051 6.279) 6.464 5.091 ( 0.253 1.342 0.030) 1.366 5.735 ( 0.867 2.658 -7.902) 8.382 6.631 ( -1.716 -44.937 -1.263) 44.988 6.721 ( 0.169 -44.937 0.179) 44.937 7.516 ( -0.580 -12.810 1.314) 12.891 7.657 ( -0.677 -13.026 2.673) 13.315 7.731 ( 0.802 -9.693 -2.016) 9.933 7.875 ( 0.377 -10.533 -2.584) 10.852 23.631 ( -1.163 -97.210 10.876) 97.823 24.518 ( 4.003 -84.172 -21.632) 86.999 ======================= Grid point 447 (216/322) ======================= q-point: (-0.08 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.415 -8.404 5.737) 10.273 1.752 ( -6.634 -3.219 23.692) 24.813 2.130 ( 4.057 -4.676 -11.661) 13.203 2.234 ( -1.172 -3.431 -0.278) 3.637 2.246 ( -0.639 -5.709 1.755) 6.007 2.358 ( 0.674 -4.998 -1.291) 5.206 2.460 ( 0.587 -5.944 -2.182) 6.359 3.079 ( 3.091 -1.492 -11.349) 11.856 3.373 ( -1.219 0.182 5.072) 5.220 3.606 ( 1.670 0.325 -7.423) 7.615 3.743 ( -0.586 -0.104 1.667) 1.770 4.029 ( 0.305 -0.372 -1.485) 1.561 4.284 ( -0.527 0.381 2.602) 2.682 5.067 ( -0.112 0.539 1.157) 1.282 5.073 ( -1.217 0.771 4.817) 5.028 5.687 ( 1.202 1.590 -7.372) 7.637 7.280 ( -0.937 -20.353 -0.283) 20.377 7.367 ( -0.473 -19.960 0.080) 19.965 7.674 ( -0.334 -3.961 0.650) 4.028 7.852 ( 0.655 -2.850 -0.934) 3.070 7.941 ( -0.238 -16.056 0.724) 16.074 8.115 ( -0.446 -13.873 -1.148) 13.928 25.087 ( -1.417 -50.046 8.026) 50.705 25.773 ( 0.977 -45.580 -14.582) 47.866 ======================= Grid point 456 (217/322) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -5.804 -0.000 12.854) 14.103 0.700 ( -5.969 -0.000 13.257) 14.538 1.355 ( -8.234 -0.000 28.994) 30.141 1.552 ( 3.027 0.000 -9.424) 9.898 1.677 ( -0.863 -0.000 1.065) 1.371 1.809 ( 4.849 0.000 -19.160) 19.764 1.881 ( 1.150 0.000 -0.134) 1.158 2.068 ( -0.301 -0.000 1.940) 1.963 2.147 ( -0.765 -0.000 -1.329) 1.534 2.788 ( 3.045 0.000 -12.228) 12.602 3.256 ( -3.007 -0.000 9.825) 10.275 3.532 ( 0.774 0.000 0.457) 0.899 3.709 ( 1.518 0.000 -7.601) 7.751 4.210 ( 1.499 0.000 1.748) 2.303 4.352 ( 0.719 0.000 8.157) 8.189 4.794 ( -5.889 -0.000 23.339) 24.071 5.235 ( 0.607 0.000 -0.679) 0.910 5.901 ( 1.348 0.000 -8.048) 8.160 6.065 ( -0.727 -0.000 2.239) 2.354 6.547 ( -1.114 -0.000 -6.790) 6.881 6.801 ( 3.005 0.000 5.451) 6.224 7.370 ( 1.514 0.000 -7.414) 7.567 13.295 ( 0.654 0.000 -3.528) 3.588 13.381 ( 0.549 0.000 -2.398) 2.460 ======================= Grid point 457 (218/322) ======================= q-point: (-0.31 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -5.295 -3.527 13.657) 15.066 1.278 ( -5.641 -17.103 14.560) 23.158 1.482 ( -5.083 -20.124 18.239) 27.631 1.681 ( 0.553 -1.965 -3.167) 3.767 1.721 ( 1.087 -6.360 -3.422) 7.303 1.848 ( 4.216 -3.277 -10.797) 12.045 1.944 ( 1.395 -4.802 -4.147) 6.496 2.724 ( 0.222 -57.325 -2.040) 57.362 2.780 ( 0.192 -62.106 -0.053) 62.106 2.823 ( 2.932 -6.910 -11.101) 13.401 3.306 ( -2.304 -3.781 8.026) 9.166 3.566 ( 0.296 -3.124 0.196) 3.145 3.684 ( 1.240 1.702 -7.533) 7.822 4.140 ( 0.989 5.803 1.783) 6.151 4.354 ( 0.539 0.555 7.334) 7.375 4.862 ( -5.670 -5.773 21.159) 22.654 5.219 ( 1.393 1.806 -0.913) 2.457 5.896 ( 1.027 0.805 -9.202) 9.294 6.207 ( -0.975 -15.076 3.703) 15.554 6.678 ( -0.522 -13.731 -4.323) 14.405 6.858 ( 0.042 -6.474 5.150) 8.273 7.409 ( 1.891 -4.001 -6.811) 8.122 14.798 ( 0.334 -131.826 1.485) 131.835 15.392 ( 19.911 -177.278 -28.633) 180.676 ======================= Grid point 458 (219/322) ======================= q-point: (-0.23 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -3.870 -7.827 12.580) 15.314 1.437 ( -6.726 -6.411 22.075) 23.951 1.753 ( 1.847 -5.918 -7.203) 9.503 1.816 ( -0.262 -5.191 2.108) 5.609 1.867 ( -1.379 -14.101 2.554) 14.397 1.934 ( 2.276 -4.663 -4.588) 6.926 2.050 ( 1.369 -5.563 -5.894) 8.219 2.892 ( 2.984 -4.274 -11.649) 12.762 3.359 ( -1.327 -1.469 5.909) 6.232 3.642 ( -0.122 -2.386 -1.567) 2.857 3.651 ( 0.994 -0.556 -5.577) 5.692 3.986 ( -1.105 -25.055 2.225) 25.177 4.125 ( 0.398 -25.895 0.702) 25.907 4.232 ( 0.818 -74.240 -0.401) 74.245 4.425 ( 0.869 -19.424 3.593) 19.772 4.981 ( -4.316 -5.271 15.567) 16.993 5.180 ( 1.718 2.541 -1.481) 3.406 5.852 ( 0.710 2.588 -9.062) 9.451 6.638 ( -1.235 -26.179 4.241) 26.549 7.021 ( -0.479 -19.020 3.336) 19.317 7.100 ( -0.679 -16.840 -1.337) 16.907 7.523 ( 1.804 -7.150 -5.642) 9.285 17.970 ( -0.671 -171.589 8.554) 171.804 19.236 ( 29.790 -181.558 -49.360) 190.492 ======================= Grid point 459 (220/322) ======================= q-point: (-0.15 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -2.591 -10.443 10.224) 14.842 1.561 ( -6.505 -6.114 22.736) 24.426 1.890 ( 3.307 -7.354 -10.807) 13.484 1.933 ( -0.645 -6.890 3.018) 7.550 2.033 ( 0.271 -5.594 -0.576) 5.630 2.113 ( -0.247 -10.558 0.169) 10.562 2.159 ( 1.160 -5.575 -5.152) 7.679 2.974 ( 3.056 -3.790 -11.349) 12.349 3.375 ( -1.117 -0.232 5.110) 5.236 3.626 ( 1.247 0.679 -7.589) 7.721 3.706 ( -0.482 -2.197 0.856) 2.407 4.019 ( 0.227 0.238 -0.922) 0.979 4.297 ( -0.556 -0.210 4.572) 4.611 5.056 ( -2.908 -2.294 10.683) 11.307 5.133 ( 1.561 2.362 -1.815) 3.363 5.549 ( -0.329 -61.184 -0.796) 61.190 5.631 ( 0.375 -63.466 0.119) 63.468 5.787 ( 0.713 2.667 -8.411) 8.853 7.151 ( -0.986 -23.359 2.947) 23.565 7.375 ( -1.139 -15.899 5.749) 16.945 7.457 ( 0.561 -17.398 -4.302) 17.930 7.684 ( 1.243 -8.789 -4.200) 9.820 21.207 ( -1.663 -146.044 11.950) 146.542 22.409 ( 17.740 -129.850 -38.884) 136.703 ======================= Grid point 460 (221/322) ======================= q-point: (-0.08 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -1.662 -10.583 7.817) 13.262 1.671 ( -6.481 -4.871 23.548) 24.905 2.029 ( 4.113 -6.062 -12.448) 14.444 2.088 ( -0.737 -8.239 3.042) 8.814 2.147 ( -1.131 -5.666 0.530) 5.802 2.257 ( 1.547 -5.150 -3.251) 6.284 2.312 ( 0.055 -8.734 -1.300) 8.830 3.038 ( 3.159 -2.644 -11.149) 11.885 3.377 ( -1.216 0.105 4.927) 5.076 3.611 ( 1.484 0.432 -7.641) 7.796 3.734 ( -0.691 -0.827 1.410) 1.775 4.020 ( 0.240 -0.317 -1.583) 1.632 4.295 ( -0.451 0.459 3.264) 3.327 5.078 ( -1.942 -0.057 7.704) 7.945 5.096 ( 0.954 1.648 -1.130) 2.215 5.723 ( 0.996 2.477 -7.701) 8.151 6.614 ( -0.967 -44.717 -1.004) 44.739 6.723 ( 0.082 -44.795 0.450) 44.797 7.514 ( -0.530 -12.815 1.283) 12.890 7.657 ( -0.769 -12.959 2.671) 13.254 7.732 ( 0.680 -9.916 -2.026) 10.144 7.872 ( 0.400 -10.300 -2.648) 10.643 23.643 ( -2.288 -96.953 10.730) 97.572 24.512 ( 6.688 -81.756 -22.013) 84.932 ======================= Grid point 470 (222/322) ======================= q-point: (-0.31 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -6.044 -0.000 15.587) 16.718 0.677 ( -6.061 -0.000 13.905) 15.168 1.353 ( -8.327 -0.000 29.657) 30.804 1.555 ( 2.809 0.000 -9.416) 9.826 1.672 ( -0.714 -0.000 1.237) 1.429 1.813 ( 6.363 0.000 -18.866) 19.911 1.895 ( 1.621 0.000 -0.084) 1.623 2.070 ( -0.221 -0.000 2.055) 2.067 2.135 ( -0.883 -0.000 -1.157) 1.455 2.786 ( 3.364 0.000 -11.962) 12.426 3.251 ( -3.207 -0.000 9.656) 10.174 3.537 ( 0.125 0.000 -0.044) 0.133 3.702 ( 1.238 0.000 -7.863) 7.960 4.230 ( 1.555 0.000 1.279) 2.014 4.389 ( 2.558 0.000 6.633) 7.109 4.796 ( -6.483 -0.000 23.132) 24.024 5.250 ( 2.566 0.000 0.485) 2.611 5.889 ( 0.834 0.000 -8.588) 8.629 6.065 ( -0.722 -0.000 2.488) 2.591 6.521 ( -0.139 -0.000 -8.069) 8.070 6.845 ( 2.495 0.000 6.845) 7.285 7.370 ( 2.245 0.000 -6.978) 7.330 13.292 ( 0.719 0.000 -3.374) 3.450 13.381 ( 0.706 0.000 -2.271) 2.379 ======================= Grid point 471 (223/322) ======================= q-point: (-0.23 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -5.237 -3.962 15.863) 17.169 1.263 ( -5.272 -17.805 14.387) 23.490 1.481 ( -5.336 -19.463 19.172) 27.836 1.679 ( 0.711 -1.863 -2.737) 3.387 1.721 ( 0.928 -6.464 -3.356) 7.342 1.864 ( 5.039 -3.357 -11.281) 12.803 1.950 ( 1.905 -4.160 -3.662) 5.861 2.721 ( 0.457 -56.887 -2.447) 56.942 2.782 ( 0.300 -62.410 0.108) 62.411 2.823 ( 3.208 -7.532 -10.705) 13.476 3.304 ( -2.431 -4.057 7.880) 9.191 3.566 ( -0.315 -3.021 -0.190) 3.043 3.674 ( 1.110 1.697 -7.825) 8.083 4.155 ( 0.986 6.280 1.377) 6.504 4.382 ( 1.218 1.306 6.507) 6.748 4.860 ( -6.164 -5.792 20.960) 22.602 5.239 ( 2.855 2.233 0.162) 3.628 5.879 ( 0.607 0.890 -9.419) 9.480 6.208 ( -0.960 -15.057 3.736) 15.543 6.663 ( 0.482 -14.518 -6.616) 15.962 6.871 ( -1.156 -4.845 8.700) 10.025 7.412 ( 2.445 -3.992 -6.415) 7.941 14.805 ( 0.152 -132.290 1.744) 132.301 15.522 ( 24.859 -184.267 -39.647) 190.116 ======================= Grid point 472 (224/322) ======================= q-point: (-0.15 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -3.605 -8.111 13.754) 16.370 1.432 ( -6.368 -6.588 22.151) 23.971 1.753 ( 1.973 -6.024 -6.535) 9.104 1.819 ( -0.355 -4.972 1.934) 5.347 1.860 ( -1.592 -14.582 3.572) 15.097 1.944 ( 2.244 -3.974 -4.294) 6.266 2.052 ( 2.487 -5.351 -6.520) 8.794 2.892 ( 3.184 -4.258 -11.276) 12.467 3.361 ( -1.506 -1.572 5.711) 6.112 3.633 ( 0.038 -0.875 -4.209) 4.300 3.646 ( 0.462 -2.245 -3.423) 4.120 3.983 ( -0.747 -26.078 2.352) 26.195 4.129 ( 0.179 -24.877 0.566) 24.884 4.239 ( 0.685 -73.981 -0.515) 73.986 4.444 ( 1.155 -18.506 2.915) 18.770 4.979 ( -4.574 -5.386 15.472) 17.009 5.199 ( 2.596 2.955 -0.702) 3.995 5.833 ( 0.645 2.476 -8.991) 9.348 6.637 ( -1.239 -26.112 4.195) 26.475 7.026 ( 0.629 -19.975 -0.054) 19.985 7.089 ( -1.879 -16.009 2.907) 16.379 7.527 ( 2.083 -6.996 -5.403) 9.082 17.983 ( -1.482 -171.872 8.828) 172.105 19.399 ( 33.240 -178.238 -61.951) 191.603 ======================= Grid point 473 (225/322) ======================= q-point: (-0.08 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -2.253 -10.501 10.778) 15.215 1.560 ( -6.165 -6.172 22.851) 24.459 1.894 ( 3.208 -7.512 -10.096) 12.986 1.934 ( -0.806 -6.888 3.032) 7.569 2.034 ( 0.165 -5.008 -0.329) 5.022 2.111 ( -0.468 -11.074 0.867) 11.118 2.161 ( 2.425 -5.180 -5.955) 8.256 2.974 ( 3.234 -3.797 -10.954) 12.036 3.376 ( -1.367 -0.246 4.909) 5.102 3.618 ( 1.360 0.564 -7.836) 7.973 3.702 ( -0.724 -2.243 0.737) 2.470 4.018 ( 0.135 0.346 -0.924) 0.995 4.304 ( -0.605 -0.098 4.681) 4.721 5.056 ( -3.062 -2.407 10.695) 11.382 5.147 ( 2.047 2.685 -1.463) 3.679 5.548 ( 0.405 -60.497 -0.792) 60.504 5.635 ( 0.235 -63.417 0.090) 63.417 5.772 ( 0.926 2.569 -8.221) 8.662 7.150 ( -0.933 -23.339 2.911) 23.539 7.379 ( -1.210 -15.448 5.911) 16.584 7.450 ( 0.501 -17.995 -4.244) 18.496 7.686 ( 1.323 -8.560 -4.142) 9.601 21.217 ( -2.913 -145.961 11.880) 146.472 22.482 ( 19.484 -125.484 -43.788) 134.325 ======================= Grid point 484 (226/322) ======================= q-point: (-0.23 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -5.975 -0.000 18.183) 19.140 0.658 ( -5.632 -0.000 14.621) 15.668 1.352 ( -8.326 -0.000 30.306) 31.429 1.556 ( 2.521 0.000 -9.418) 9.749 1.670 ( -0.445 -0.000 1.420) 1.489 1.832 ( 7.595 0.000 -18.513) 20.010 1.911 ( 1.753 0.000 -0.070) 1.754 2.074 ( -0.194 -0.000 2.131) 2.140 2.124 ( -0.788 -0.000 -0.921) 1.212 2.789 ( 3.603 0.000 -11.632) 12.177 3.246 ( -3.161 -0.000 9.480) 9.993 3.534 ( -0.599 -0.000 -0.345) 0.691 3.692 ( 1.197 0.000 -8.221) 8.307 4.245 ( 0.749 0.000 1.002) 1.251 4.435 ( 3.740 0.000 3.818) 5.344 4.792 ( -7.077 -0.000 22.698) 23.775 5.286 ( 3.972 0.000 1.592) 4.279 5.872 ( 0.519 0.000 -9.083) 9.098 6.065 ( -0.689 -0.000 2.660) 2.748 6.500 ( 0.732 0.000 -9.336) 9.365 6.887 ( 1.932 0.000 8.202) 8.427 7.377 ( 2.865 0.000 -6.432) 7.041 13.291 ( 0.835 0.000 -3.204) 3.311 13.382 ( 0.835 0.000 -2.141) 2.298 ======================= Grid point 485 (227/322) ======================= q-point: (-0.15 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -5.041 -4.328 17.671) 18.879 1.253 ( -4.631 -18.434 14.346) 23.813 1.480 ( -5.461 -18.911 19.841) 27.949 1.680 ( 0.783 -1.931 -2.105) 2.962 1.721 ( 0.789 -6.464 -3.334) 7.316 1.885 ( 5.249 -2.966 -10.927) 12.480 1.961 ( 2.484 -3.833 -4.174) 6.187 2.720 ( 0.718 -56.253 -2.786) 56.327 2.786 ( 0.301 -63.071 0.311) 63.072 2.827 ( 3.375 -7.881 -10.370) 13.454 3.301 ( -2.383 -4.250 7.734) 9.141 3.559 ( -0.913 -3.016 -0.355) 3.171 3.664 ( 1.264 1.650 -8.188) 8.448 4.165 ( 0.430 6.489 0.979) 6.576 4.411 ( 1.205 2.216 5.307) 5.876 4.854 ( -6.549 -5.941 20.586) 22.405 5.273 ( 3.556 2.832 1.134) 4.685 5.859 ( 0.629 0.849 -9.511) 9.570 6.209 ( -0.945 -14.998 3.707) 15.478 6.651 ( 1.227 -15.097 -8.402) 17.321 6.883 ( -1.936 -3.434 11.837) 12.476 7.422 ( 2.849 -3.860 -5.963) 7.653 14.810 ( -0.141 -132.512 1.869) 132.525 15.653 ( 26.095 -190.896 -51.819) 199.518 ======================= Grid point 486 (228/322) ======================= q-point: (-0.08 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -3.393 -8.344 14.607) 17.161 1.432 ( -5.926 -6.715 22.211) 23.949 1.756 ( 2.041 -6.061 -5.785) 8.624 1.819 ( -0.458 -4.827 1.354) 5.035 1.856 ( -1.574 -14.845 4.575) 15.614 1.953 ( 1.771 -3.404 -3.556) 5.231 2.063 ( 3.662 -5.212 -7.589) 9.908 2.894 ( 3.292 -4.257 -10.842) 12.104 3.360 ( -1.709 -1.600 5.514) 5.990 3.622 ( 0.145 -0.982 -4.454) 4.563 3.641 ( 0.396 -2.347 -3.537) 4.264 3.984 ( -0.342 -26.186 2.484) 26.306 4.131 ( -0.168 -24.648 0.565) 24.655 4.243 ( 0.417 -73.778 -0.603) 73.781 4.461 ( 0.864 -18.021 2.194) 18.174 4.975 ( -4.726 -5.588 15.204) 16.874 5.225 ( 2.854 3.461 0.002) 4.486 5.817 ( 1.061 2.298 -8.850) 9.204 6.636 ( -1.221 -26.061 4.135) 26.416 7.031 ( 1.478 -21.319 -4.912) 21.927 7.081 ( -2.635 -14.644 8.478) 17.125 7.534 ( 2.241 -6.730 -5.148) 8.765 17.988 ( -2.425 -171.876 8.743) 172.115 19.538 ( 31.299 -175.911 -72.794) 192.933 ======================= Grid point 498 (229/322) ======================= q-point: (-0.15 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -5.738 -0.000 20.034) 20.840 0.647 ( -4.767 -0.000 15.209) 15.938 1.353 ( -8.126 -0.000 30.797) 31.851 1.554 ( 2.264 0.000 -9.399) 9.667 1.671 ( -0.164 -0.000 1.544) 1.553 1.860 ( 8.234 0.000 -18.210) 19.985 1.927 ( 1.448 0.000 -0.109) 1.452 2.078 ( -0.262 -0.000 2.155) 2.170 2.116 ( -0.382 -0.000 -0.665) 0.767 2.794 ( 3.658 0.000 -11.311) 11.887 3.241 ( -2.903 -0.000 9.313) 9.755 3.524 ( -1.204 -0.000 -0.416) 1.274 3.682 ( 1.394 0.000 -8.569) 8.682 4.250 ( -0.329 -0.000 0.939) 0.995 4.477 ( 3.258 0.000 0.700) 3.333 4.781 ( -7.414 -0.000 22.222) 23.426 5.332 ( 4.013 0.000 2.147) 4.551 5.852 ( 0.735 0.000 -9.328) 9.357 6.065 ( -0.633 -0.000 2.717) 2.790 6.485 ( 1.537 0.000 -10.082) 10.199 6.925 ( 0.904 0.000 8.890) 8.936 7.390 ( 3.262 0.000 -5.873) 6.718 13.291 ( 0.973 0.000 -3.057) 3.208 13.385 ( 0.910 0.000 -2.034) 2.229 ======================= Grid point 499 (230/322) ======================= q-point: (-0.08 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -4.793 -4.593 18.741) 19.882 1.250 ( -3.846 -18.951 14.350) 24.080 1.481 ( -5.387 -18.420 20.142) 27.821 1.683 ( 0.780 -2.184 -1.509) 2.767 1.719 ( 0.700 -6.334 -3.279) 7.167 1.905 ( 4.380 -2.131 -9.397) 10.584 1.976 ( 3.354 -4.008 -5.967) 7.932 2.720 ( 0.933 -55.700 -2.915) 55.784 2.789 ( 0.223 -63.609 0.446) 63.611 2.833 ( 3.345 -8.067 -10.100) 13.352 3.299 ( -2.241 -4.312 7.573) 8.998 3.547 ( -1.318 -3.107 -0.301) 3.388 3.655 ( 1.639 1.562 -8.517) 8.813 4.168 ( -0.350 6.392 0.761) 6.446 4.432 ( 0.295 2.914 4.206) 5.125 4.844 ( -6.659 -6.164 20.184) 22.130 5.311 ( 3.136 3.337 1.676) 4.877 5.842 ( 1.288 0.714 -9.437) 9.551 6.209 ( -0.932 -14.912 3.619) 15.373 6.642 ( 1.815 -15.380 -9.172) 17.999 6.896 ( -2.464 -2.503 13.612) 14.058 7.435 ( 3.023 -3.635 -5.543) 7.286 14.812 ( -0.475 -132.437 1.831) 132.450 15.740 ( 22.006 -195.192 -60.850) 205.638 ======================= Grid point 512 (231/322) ======================= q-point: (-0.08 -0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -5.321 -0.000 20.890) 21.557 0.647 ( -3.678 -0.000 15.490) 15.921 1.358 ( -7.795 -0.000 30.974) 31.940 1.550 ( 2.122 0.000 -9.377) 9.614 1.675 ( 0.032 0.000 1.590) 1.591 1.892 ( 8.145 0.000 -18.083) 19.833 1.938 ( 0.717 0.000 -0.172) 0.737 2.080 ( -0.446 -0.000 2.058) 2.106 2.114 ( 0.348 0.000 -0.400) 0.530 2.799 ( 3.535 0.000 -11.022) 11.575 3.239 ( -2.597 -0.000 9.145) 9.507 3.509 ( -1.550 -0.000 -0.279) 1.574 3.674 ( 1.786 0.000 -8.816) 8.995 4.244 ( -1.244 -0.000 0.949) 1.565 4.499 ( 1.107 0.000 -1.071) 1.541 4.768 ( -7.349 -0.000 21.859) 23.061 5.371 ( 2.566 0.000 2.158) 3.353 5.838 ( 1.689 0.000 -9.260) 9.413 6.067 ( -0.567 -0.000 2.645) 2.705 6.477 ( 2.390 0.000 -10.069) 10.349 6.949 ( -1.072 -0.000 8.777) 8.842 7.408 ( 3.362 0.000 -5.398) 6.359 13.293 ( 1.095 0.000 -2.970) 3.166 13.389 ( 0.919 0.000 -1.975) 2.178 ======================= Grid point 513 (232/322) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -1.946 -0.000 10.081) 10.267 1.005 ( -6.486 -0.000 22.905) 23.806 1.357 ( 1.779 0.000 -8.033) 8.227 1.506 ( 7.520 0.000 -22.102) 23.346 1.705 ( 0.044 0.000 0.753) 0.755 1.897 ( -5.365 -0.000 19.888) 20.599 1.936 ( -0.094 -0.000 -0.125) 0.156 2.104 ( -0.539 -0.000 0.555) 0.774 2.118 ( 0.777 0.000 -0.031) 0.778 2.549 ( 3.942 0.000 -12.709) 13.306 3.391 ( -1.479 -0.000 5.364) 5.564 3.486 ( -0.283 -0.000 -1.179) 1.212 3.538 ( 0.946 0.000 -3.618) 3.739 4.233 ( -0.620 -0.000 -0.311) 0.694 4.492 ( -0.253 -0.000 0.164) 0.301 5.185 ( -6.347 -0.000 19.797) 20.790 5.424 ( -0.467 -0.000 1.249) 1.333 5.595 ( 5.270 0.000 -14.855) 15.762 6.143 ( -1.746 -0.000 5.187) 5.473 6.288 ( 3.265 0.000 -8.696) 9.289 7.127 ( -4.063 -0.000 8.916) 9.799 7.300 ( 3.709 0.000 -7.368) 8.249 13.251 ( 0.514 0.000 -1.296) 1.395 13.361 ( 0.395 0.000 -0.910) 0.992 ======================= Grid point 514 (233/322) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -6.361 -2.286 21.718) 22.746 1.452 ( -0.818 -21.763 7.204) 22.939 1.499 ( 6.188 0.027 -19.615) 20.568 1.576 ( 0.800 -12.785 -5.736) 14.036 1.775 ( 0.344 -5.736 -1.470) 5.931 1.948 ( -1.754 -3.123 5.271) 6.373 1.979 ( -3.708 -5.812 13.078) 14.784 2.580 ( 3.767 -4.510 -12.422) 13.742 2.725 ( 0.318 -60.961 -0.560) 60.964 2.800 ( -0.066 -62.433 0.127) 62.434 3.432 ( -1.676 -2.438 5.725) 6.444 3.504 ( 0.450 -1.484 -2.578) 3.008 3.526 ( 1.230 -0.369 -2.915) 3.186 4.157 ( -0.575 5.616 0.018) 5.645 4.476 ( -0.714 1.088 1.006) 1.645 5.210 ( -4.939 -2.130 16.989) 17.820 5.379 ( -1.169 3.728 1.258) 4.105 5.612 ( 4.975 -0.651 -13.204) 14.125 6.303 ( -1.941 -16.032 6.071) 17.252 6.462 ( 3.427 -16.315 -8.949) 18.922 7.133 ( -4.372 -3.540 9.773) 11.276 7.336 ( 2.779 -3.331 -7.349) 8.533 14.845 ( -1.835 -137.294 2.900) 137.337 15.064 ( 3.227 -158.963 -13.963) 159.607 ======================= Grid point 515 (234/322) ======================= q-point: ( 0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -5.817 -5.397 19.330) 20.895 1.530 ( 5.073 -3.172 -18.647) 19.583 1.687 ( -0.423 -7.711 2.886) 8.244 1.814 ( 0.468 -10.497 0.245) 10.510 1.903 ( 0.001 -6.977 -1.291) 7.095 2.019 ( 0.320 -4.299 -0.334) 4.324 2.122 ( -5.115 -7.390 15.779) 18.159 2.661 ( 3.925 -4.222 -13.432) 14.616 3.455 ( -1.547 -0.546 4.637) 4.919 3.494 ( 1.621 0.868 -3.513) 3.965 3.605 ( 0.528 -4.627 -1.348) 4.848 4.041 ( -0.242 -2.995 0.853) 3.123 4.155 ( -0.452 -56.495 2.152) 56.538 4.210 ( -0.206 -72.554 -1.611) 72.572 4.489 ( -0.602 -11.413 0.553) 11.442 5.235 ( -2.097 0.413 8.717) 8.975 5.292 ( -2.400 3.552 3.679) 5.649 5.620 ( 4.074 0.581 -10.230) 11.027 6.736 ( -1.601 -25.338 5.905) 26.066 6.887 ( 2.633 -24.131 -7.290) 25.345 7.273 ( -3.406 -10.404 8.330) 13.756 7.441 ( 1.925 -6.931 -6.613) 9.771 18.083 ( -4.207 -173.696 6.227) 173.859 18.668 ( 5.083 -185.922 -20.521) 187.120 ======================= Grid point 516 (235/322) ======================= q-point: ( 0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -5.025 -7.837 16.725) 19.142 1.615 ( 4.315 -5.208 -18.336) 19.544 1.849 ( -0.972 -8.685 3.773) 9.519 2.009 ( 0.357 -9.045 1.878) 9.245 2.049 ( -0.051 -7.814 0.043) 7.814 2.114 ( 0.852 -4.892 -1.255) 5.122 2.246 ( -5.037 -5.597 13.537) 15.491 2.740 ( 3.983 -3.525 -14.273) 15.232 3.462 ( -1.322 -0.317 4.222) 4.435 3.486 ( 1.703 0.361 -3.100) 3.556 3.680 ( 0.415 -2.683 -1.152) 2.950 3.999 ( -0.051 1.431 -0.238) 1.452 4.376 ( -0.890 1.053 1.603) 2.114 5.166 ( -0.509 3.702 -0.921) 3.848 5.259 ( -2.686 0.498 8.978) 9.384 5.592 ( 0.439 -52.500 -1.370) 52.519 5.603 ( 2.191 -15.792 -6.432) 17.192 5.622 ( 0.855 -55.775 -0.767) 55.786 7.215 ( -0.559 -20.980 2.870) 21.183 7.356 ( 1.070 -21.285 -3.401) 21.582 7.492 ( -1.846 -10.982 5.051) 12.228 7.608 ( 1.267 -9.731 -4.498) 10.795 21.304 ( -4.854 -145.020 6.826) 145.262 22.028 ( 5.753 -146.109 -16.021) 147.097 ======================= Grid point 517 (236/322) ======================= q-point: ( 0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -4.315 -8.186 14.508) 17.208 1.719 ( 3.860 -5.515 -17.742) 18.976 2.026 ( -1.560 -8.698 6.107) 10.742 2.175 ( 0.018 -6.643 2.940) 7.265 2.208 ( 0.138 -7.223 2.627) 7.687 2.216 ( 0.519 -5.815 -1.657) 6.068 2.335 ( -3.962 -4.252 8.513) 10.307 2.797 ( 3.937 -2.139 -14.858) 15.519 3.468 ( -1.188 -0.332 4.266) 4.441 3.486 ( 1.540 0.082 -2.779) 3.178 3.716 ( 0.391 -1.099 -1.129) 1.623 3.987 ( 0.197 -0.080 -0.505) 0.548 4.350 ( -0.703 1.149 1.088) 1.732 5.095 ( -0.403 2.638 -1.217) 2.933 5.244 ( -2.100 0.854 7.489) 7.824 5.573 ( 2.931 1.826 -7.396) 8.163 6.657 ( -0.441 -44.301 -1.230) 44.321 6.725 ( 1.174 -45.225 0.231) 45.241 7.539 ( 0.013 -11.381 0.745) 11.405 7.690 ( 0.046 -11.831 -0.914) 11.867 7.696 ( -0.476 -10.284 1.628) 10.423 7.826 ( 0.826 -12.187 -1.635) 12.324 23.696 ( -3.962 -95.888 5.830) 96.147 24.398 ( 5.708 -91.007 -11.368) 91.892 ======================= Grid point 518 (237/322) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -3.780 -5.987 12.706) 14.546 1.820 ( 3.768 -4.906 -16.713) 17.821 2.175 ( -2.639 -5.566 11.453) 13.005 2.264 ( 0.401 -2.684 0.491) 2.758 2.329 ( -0.310 -5.315 1.269) 5.474 2.344 ( -1.773 -4.924 7.095) 8.817 2.411 ( -0.520 -4.352 -1.485) 4.628 2.824 ( 3.880 -0.779 -15.022) 15.535 3.474 ( -1.235 -0.288 4.680) 4.849 3.489 ( 1.333 -0.072 -2.888) 3.182 3.729 ( 0.425 -0.275 -1.284) 1.381 3.996 ( 0.299 -0.607 -0.607) 0.909 4.330 ( -0.550 0.703 0.930) 1.289 5.056 ( -0.127 1.051 -1.022) 1.472 5.227 ( -1.953 0.710 7.033) 7.333 5.543 ( 2.485 1.491 -7.032) 7.606 7.298 ( -0.109 -19.702 -0.419) 19.707 7.378 ( 0.827 -19.718 -0.358) 19.738 7.685 ( 0.079 -3.823 0.301) 3.835 7.833 ( -0.198 -3.371 -0.289) 3.390 7.944 ( -0.041 -14.968 0.328) 14.971 8.110 ( 0.824 -15.699 -0.825) 15.742 25.126 ( -2.497 -50.525 5.030) 50.837 25.723 ( 4.683 -43.262 -9.975) 44.643 ======================= Grid point 519 (238/322) ======================= q-point: ( 0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -3.276 -1.770 11.334) 11.930 1.895 ( 3.976 -2.527 -15.581) 16.278 2.242 ( -2.900 -1.017 14.874) 15.188 2.299 ( -2.013 -0.798 3.614) 4.213 2.400 ( -1.116 -1.793 3.847) 4.389 2.412 ( -0.063 -1.920 -0.165) 1.928 2.485 ( 0.905 -2.477 -2.663) 3.748 2.829 ( 3.983 0.162 -14.998) 15.519 3.479 ( -1.200 -0.106 4.490) 4.649 3.493 ( 0.924 -0.157 -2.655) 2.816 3.732 ( 0.444 -0.046 -1.499) 1.564 4.007 ( 0.255 -0.337 -0.683) 0.803 4.319 ( -0.385 0.259 0.989) 1.092 5.043 ( 0.087 0.255 -0.761) 0.807 5.218 ( -1.936 0.199 7.030) 7.295 5.522 ( 2.036 0.729 -6.790) 7.126 7.504 ( -0.104 -3.802 0.544) 3.842 7.596 ( 0.303 -4.234 -0.328) 4.258 7.722 ( -0.037 -0.525 0.366) 0.641 7.859 ( -0.047 -0.245 -0.305) 0.394 8.205 ( 0.099 -8.189 -0.201) 8.192 8.367 ( 0.309 -7.397 -0.409) 7.415 25.773 ( -1.396 -16.448 4.796) 17.190 26.233 ( 2.955 -9.658 -9.269) 13.708 ======================= Grid point 520 (239/322) ======================= q-point: (-0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -2.954 2.858 11.566) 12.275 1.902 ( 4.514 1.884 -15.475) 16.229 2.241 ( -3.432 1.782 16.145) 16.602 2.288 ( -2.449 1.009 3.191) 4.147 2.398 ( -0.725 2.102 3.000) 3.734 2.411 ( 0.203 2.052 -0.752) 2.194 2.498 ( 0.589 1.300 -1.152) 1.835 2.821 ( 4.319 0.599 -14.889) 15.514 3.479 ( -0.993 0.082 3.414) 3.556 3.496 ( 0.313 -0.144 -1.854) 1.886 3.733 ( 0.401 -0.045 -1.618) 1.668 4.008 ( 0.149 0.232 -0.798) 0.844 4.318 ( -0.176 -0.168 1.082) 1.109 5.042 ( 0.293 -0.060 -0.585) 0.657 5.220 ( -1.933 -0.411 6.994) 7.268 5.517 ( 1.646 -0.256 -6.498) 6.708 7.504 ( -0.225 3.953 0.603) 4.005 7.592 ( -0.197 4.655 0.048) 4.659 7.721 ( -0.172 0.565 0.406) 0.717 7.861 ( 0.252 0.072 -0.473) 0.541 8.205 ( -0.026 8.156 -0.179) 8.158 8.360 ( -0.198 8.035 0.273) 8.042 25.805 ( -1.063 13.571 2.983) 13.935 26.176 ( 1.478 14.960 -5.112) 15.879 ======================= Grid point 521 (240/322) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -2.876 6.398 13.275) 15.014 1.833 ( 5.027 4.932 -16.202) 17.666 2.169 ( -3.438 5.749 12.887) 14.524 2.249 ( -1.091 2.497 1.606) 3.163 2.320 ( -1.515 5.648 5.482) 8.015 2.335 ( 0.359 5.382 -1.169) 5.519 2.445 ( -0.340 3.808 2.172) 4.397 2.805 ( 4.680 1.237 -14.594) 15.376 3.476 ( -0.793 0.166 2.313) 2.451 3.496 ( -0.242 -0.081 -1.270) 1.295 3.732 ( 0.307 0.206 -1.606) 1.648 3.999 ( 0.063 0.533 -0.906) 1.053 4.327 ( 0.028 -0.650 1.162) 1.332 5.050 ( 0.655 -0.796 -0.456) 1.127 5.233 ( -1.988 -0.872 6.919) 7.251 5.531 ( 1.401 -1.194 -6.303) 6.566 7.283 ( -0.120 21.082 0.915) 21.103 7.371 ( -0.395 19.402 0.333) 19.409 7.684 ( -0.245 3.859 0.377) 3.885 7.837 ( 0.387 3.273 -0.669) 3.363 7.947 ( -0.143 14.728 0.007) 14.729 8.099 ( -0.390 15.406 0.115) 15.411 25.190 ( -0.685 49.450 0.426) 49.456 25.602 ( 0.849 45.289 -0.046) 45.297 ======================= Grid point 522 (241/322) ======================= q-point: (-0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -3.104 7.913 15.423) 17.610 1.724 ( 5.508 6.130 -17.029) 18.918 2.022 ( -1.963 8.595 7.089) 11.313 2.170 ( -0.623 5.639 1.917) 5.988 2.181 ( -1.479 7.925 4.930) 9.450 2.216 ( 0.394 5.896 -1.727) 6.156 2.360 ( -2.058 4.733 8.852) 10.246 2.775 ( 4.868 2.339 -14.188) 15.181 3.472 ( -0.656 0.133 1.667) 1.796 3.494 ( -0.632 -0.078 -1.191) 1.350 3.719 ( 0.217 1.079 -1.549) 1.900 3.991 ( 0.059 0.061 -0.855) 0.859 4.348 ( 0.130 -1.171 1.327) 1.774 5.084 ( 1.192 -2.332 -0.232) 2.629 5.251 ( -2.231 -0.978 7.315) 7.710 5.559 ( 1.374 -1.718 -6.567) 6.926 6.623 ( 0.518 44.571 1.688) 44.606 6.729 ( -0.510 44.880 0.005) 44.883 7.537 ( -0.380 11.496 0.909) 11.538 7.695 ( 0.279 11.671 -1.215) 11.737 7.701 ( -0.371 10.351 1.183) 10.425 7.823 ( 0.118 12.117 -1.458) 12.205 23.769 ( -0.489 94.841 0.375) 94.843 24.276 ( 2.323 90.931 -1.650) 90.976 ======================= Grid point 523 (242/322) ======================= q-point: (-0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -3.818 7.361 17.781) 19.620 1.606 ( 6.036 5.946 -17.578) 19.513 1.845 ( -1.131 8.857 4.423) 9.964 2.008 ( -1.202 8.961 1.998) 9.259 2.039 ( 0.470 7.278 0.607) 7.319 2.108 ( 0.142 5.076 -0.762) 5.135 2.257 ( -3.373 5.943 13.956) 15.539 2.721 ( 4.791 3.520 -13.583) 14.827 3.469 ( -0.760 0.106 2.084) 2.221 3.492 ( -0.645 -0.258 -1.956) 2.075 3.682 ( 0.184 2.713 -1.549) 3.129 4.002 ( 0.102 -1.428 -0.498) 1.515 4.376 ( 0.036 -1.112 1.705) 2.035 5.153 ( 1.535 -3.412 0.221) 3.748 5.267 ( -2.731 -0.611 8.908) 9.337 5.565 ( 0.807 61.101 1.547) 61.126 5.590 ( 1.650 -1.150 -7.649) 7.909 5.633 ( -0.287 63.382 -0.517) 63.384 7.212 ( -0.893 20.896 2.966) 21.125 7.360 ( 0.679 21.505 -3.592) 21.814 7.498 ( -1.317 10.759 5.155) 12.003 7.601 ( 1.590 10.204 -4.431) 11.238 21.375 ( -1.621 144.844 2.322) 144.872 21.950 ( 6.266 144.126 -11.568) 144.725 ======================= Grid point 524 (243/322) ======================= q-point: (-0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -4.949 5.105 20.248) 21.460 1.513 ( 6.565 3.650 -17.964) 19.471 1.678 ( -0.633 8.267 3.722) 9.088 1.818 ( -0.809 9.967 -0.170) 10.001 1.900 ( 0.885 6.885 -1.069) 7.024 2.015 ( 0.222 4.114 -0.192) 4.124 2.124 ( -4.100 7.644 16.526) 18.665 2.648 ( 4.493 4.126 -12.900) 14.270 3.462 ( -1.346 0.524 3.663) 3.937 3.497 ( -0.088 -0.867 -3.192) 3.309 3.606 ( 0.222 4.649 -1.717) 4.961 4.038 ( -0.041 7.215 1.425) 7.355 4.149 ( -0.087 52.779 1.738) 52.807 4.219 ( 0.295 72.082 -1.763) 72.104 4.491 ( 0.239 10.847 0.377) 10.856 5.236 ( -1.796 -1.437 6.334) 6.739 5.290 ( -0.547 -2.754 6.939) 7.485 5.609 ( 2.399 -0.456 -9.947) 10.242 6.738 ( -1.857 25.052 5.978) 25.822 6.883 ( 1.769 24.620 -7.168) 25.703 7.281 ( -2.033 10.133 8.653) 13.479 7.428 ( 2.848 7.365 -6.413) 10.173 18.124 ( -2.516 174.694 4.285) 174.765 18.650 ( 8.275 184.049 -21.667) 185.505 ======================= Grid point 525 (244/322) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -6.022 2.238 22.253) 23.161 1.442 ( -1.165 21.560 7.402) 22.825 1.486 ( 7.059 0.029 -19.268) 20.521 1.585 ( 0.555 13.001 -5.676) 14.197 1.774 ( 0.730 5.801 -1.260) 5.981 1.950 ( -1.262 2.877 4.171) 5.221 1.976 ( -3.376 6.019 14.468) 16.029 2.574 ( 4.057 4.522 -12.125) 13.562 2.723 ( 0.343 60.887 -0.415) 60.889 2.799 ( 0.096 62.543 0.188) 62.543 3.434 ( -1.781 2.625 5.527) 6.373 3.510 ( -0.162 1.391 -2.730) 3.068 3.524 ( 0.771 0.251 -3.140) 3.243 4.162 ( -0.212 -5.773 -0.405) 5.791 4.478 ( -0.151 -1.109 0.782) 1.365 5.217 ( -5.535 1.925 16.438) 17.452 5.377 ( 0.648 -3.883 2.309) 4.564 5.604 ( 3.908 0.847 -13.323) 13.910 6.306 ( -2.070 15.995 6.254) 17.298 6.455 ( 2.822 16.495 -8.790) 18.903 7.142 ( -2.811 3.152 9.851) 10.718 7.324 ( 3.546 3.630 -7.124) 8.747 14.854 ( -1.417 137.891 2.741) 137.926 15.065 ( 4.575 159.080 -15.097) 159.860 ======================= Grid point 527 (245/322) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.425 -0.000 9.500) 9.607 1.001 ( -6.699 -0.000 22.297) 23.282 1.352 ( 1.735 0.000 -7.867) 8.056 1.513 ( 6.232 0.000 -22.827) 23.662 1.707 ( -0.017 -0.000 0.516) 0.516 1.896 ( -5.729 -0.000 19.598) 20.418 1.931 ( -0.838 -0.000 -0.008) 0.838 2.100 ( -0.589 -0.000 0.576) 0.824 2.126 ( 0.963 0.000 -0.429) 1.054 2.552 ( 3.588 0.000 -13.008) 13.494 3.392 ( -1.172 -0.000 5.513) 5.636 3.482 ( 0.055 0.000 -0.799) 0.801 3.541 ( 1.638 0.000 -3.455) 3.824 4.225 ( -0.955 -0.000 0.323) 1.008 4.487 ( -0.859 -0.000 0.561) 1.026 5.180 ( -5.601 -0.000 20.357) 21.114 5.413 ( -1.901 -0.000 0.215) 1.913 5.611 ( 5.881 0.000 -14.498) 15.646 6.140 ( -1.645 -0.000 4.993) 5.257 6.299 ( 3.880 0.000 -9.149) 9.938 7.101 ( -5.979 -0.000 9.195) 10.968 7.310 ( 2.529 0.000 -7.624) 8.033 13.252 ( 0.445 0.000 -1.453) 1.519 13.362 ( 0.236 0.000 -1.052) 1.078 ======================= Grid point 528 (246/322) ======================= q-point: ( 0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -6.632 -2.278 21.097) 22.232 1.464 ( -0.474 -20.762 5.816) 21.566 1.502 ( 5.053 -1.042 -19.143) 19.826 1.570 ( 1.174 -12.926 -5.776) 14.206 1.773 ( -0.059 -5.532 -1.421) 5.712 1.944 ( -1.920 -3.389 5.511) 6.749 1.974 ( -4.314 -5.755 12.538) 14.454 2.581 ( 3.458 -4.427 -12.895) 14.065 2.726 ( 0.265 -60.974 -0.683) 60.978 2.799 ( -0.225 -62.325 0.065) 62.325 3.432 ( -1.552 -2.171 5.996) 6.563 3.505 ( 1.046 -1.982 -2.288) 3.203 3.532 ( 1.638 -0.033 -2.802) 3.245 4.151 ( -0.772 5.457 0.412) 5.526 4.470 ( -1.231 1.040 1.353) 2.104 5.212 ( -4.361 -2.240 17.669) 18.336 5.362 ( -2.479 3.603 0.097) 4.375 5.628 ( 5.468 -0.450 -13.088) 14.191 6.301 ( -1.785 -16.113 6.006) 17.289 6.473 ( 3.938 -16.124 -9.402) 19.076 7.110 ( -5.543 -4.277 9.838) 12.075 7.338 ( 1.810 -3.213 -7.688) 8.527 14.834 ( -1.995 -136.654 2.978) 136.701 15.054 ( 1.970 -158.313 -12.294) 158.801 ======================= Grid point 529 (247/322) ======================= q-point: ( 0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -6.147 -5.510 18.824) 20.554 1.525 ( 4.304 -3.108 -19.258) 19.976 1.690 ( -0.456 -7.486 2.374) 7.866 1.822 ( 1.057 -10.649 0.549) 10.715 1.897 ( -0.381 -7.107 -1.265) 7.229 2.021 ( 0.390 -4.548 -0.600) 4.604 2.111 ( -5.628 -7.262 15.690) 18.182 2.661 ( 3.583 -4.268 -13.891) 14.967 3.454 ( -1.315 -0.512 4.923) 5.121 3.503 ( 2.071 0.885 -3.264) 3.966 3.608 ( 0.659 -4.526 -1.283) 4.750 4.041 ( -0.322 -1.599 0.675) 1.765 4.155 ( -0.663 -57.406 2.065) 57.447 4.204 ( -0.244 -72.870 -1.404) 72.884 4.483 ( -0.961 -11.919 0.737) 11.980 5.240 ( -1.565 1.071 7.576) 7.809 5.272 ( -3.633 2.669 4.306) 6.234 5.634 ( 4.410 0.772 -10.325) 11.254 6.737 ( -1.486 -25.439 5.931) 26.164 6.895 ( 2.979 -23.793 -7.533) 25.134 7.260 ( -3.822 -10.981 8.283) 14.276 7.439 ( 1.381 -7.025 -6.819) 9.887 18.060 ( -4.067 -173.210 6.847) 173.393 18.655 ( 3.235 -186.855 -18.732) 187.819 ======================= Grid point 530 (248/322) ======================= q-point: ( 0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -5.384 -8.011 16.372) 19.005 1.605 ( 3.866 -5.187 -18.706) 19.794 1.849 ( -0.916 -8.670 3.604) 9.434 2.019 ( 0.537 -8.824 1.718) 9.006 2.047 ( -0.199 -8.244 -0.064) 8.247 2.120 ( 1.017 -4.949 -1.371) 5.235 2.231 ( -5.380 -5.508 13.558) 15.591 2.739 ( 3.622 -3.542 -14.698) 15.547 3.462 ( -1.067 -0.304 4.504) 4.638 3.495 ( 1.915 0.461 -2.896) 3.502 3.681 ( 0.503 -2.635 -1.137) 2.914 3.999 ( 0.003 1.337 -0.183) 1.350 4.371 ( -1.122 0.968 1.564) 2.155 5.155 ( -1.178 3.600 -1.544) 4.090 5.258 ( -2.446 0.427 9.251) 9.578 5.587 ( -0.275 -61.514 -1.265) 61.528 5.611 ( 2.797 -14.372 -6.214) 15.905 5.628 ( 0.954 -48.449 -1.688) 48.488 7.218 ( -0.532 -20.999 2.867) 21.200 7.358 ( 1.232 -20.989 -3.426) 21.303 7.487 ( -1.895 -11.345 5.080) 12.574 7.607 ( 1.116 -9.956 -4.565) 11.009 21.279 ( -4.086 -145.001 7.593) 145.257 22.033 ( 3.985 -147.416 -16.135) 148.350 ======================= Grid point 531 (249/322) ======================= q-point: ( 0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -4.689 -8.336 14.266) 17.176 1.708 ( 3.766 -5.621 -17.859) 19.098 2.028 ( -1.467 -8.777 6.002) 10.733 2.183 ( 0.116 -7.024 2.052) 7.318 2.215 ( -0.517 -7.602 3.481) 8.377 2.218 ( 0.865 -5.023 -1.522) 5.319 2.319 ( -3.868 -4.332 8.122) 9.984 2.793 ( 3.614 -2.179 -15.196) 15.771 3.469 ( -1.035 -0.299 4.569) 4.695 3.494 ( 1.645 0.223 -2.740) 3.204 3.717 ( 0.464 -1.073 -1.140) 1.633 3.988 ( 0.288 -0.124 -0.466) 0.561 4.345 ( -0.828 1.052 1.024) 1.686 5.086 ( -0.700 2.320 -1.457) 2.828 5.244 ( -1.971 0.893 7.586) 7.889 5.582 ( 2.916 1.986 -7.598) 8.377 6.650 ( -0.051 -44.356 -1.455) 44.380 6.735 ( 0.659 -45.375 -0.100) 45.380 7.541 ( 0.046 -11.352 0.730) 11.375 7.688 ( -0.040 -11.661 -0.651) 11.680 7.696 ( -0.318 -10.441 1.472) 10.549 7.830 ( 0.850 -12.377 -1.642) 12.514 23.679 ( -2.651 -96.112 6.529) 96.370 24.413 ( 3.795 -91.647 -12.700) 92.600 ======================= Grid point 532 (250/322) ======================= q-point: ( 0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -4.088 -6.136 12.562) 14.566 1.812 ( 3.887 -5.100 -16.673) 17.864 2.180 ( -2.783 -5.857 11.700) 13.376 2.271 ( 0.676 -2.038 0.186) 2.155 2.329 ( -0.290 -5.402 0.787) 5.467 2.343 ( -2.693 -4.552 8.552) 10.055 2.404 ( 0.239 -5.023 -2.562) 5.644 2.820 ( 3.660 -0.882 -15.262) 15.719 3.475 ( -1.165 -0.240 4.818) 4.963 3.494 ( 1.368 0.099 -2.847) 3.160 3.730 ( 0.474 -0.247 -1.313) 1.418 3.998 ( 0.353 -0.578 -0.594) 0.900 4.327 ( -0.595 0.598 0.885) 1.223 5.052 ( -0.217 0.818 -1.100) 1.388 5.228 ( -1.889 0.738 7.088) 7.372 5.548 ( 2.390 1.651 -7.159) 7.726 7.297 ( 0.156 -19.907 -0.427) 19.912 7.383 ( 0.487 -19.557 -0.600) 19.573 7.686 ( 0.094 -3.775 0.301) 3.788 7.830 ( -0.198 -3.386 -0.248) 3.401 7.945 ( 0.046 -14.932 0.377) 14.937 8.115 ( 0.685 -15.638 -0.976) 15.683 25.122 ( -1.264 -50.721 5.653) 51.051 25.733 ( 2.925 -43.247 -11.258) 44.784 ======================= Grid point 533 (251/322) ======================= q-point: ( 0.54 0.08 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -3.393 -1.988 11.294) 11.959 1.892 ( 4.053 -2.767 -15.526) 16.284 2.254 ( -4.087 -1.327 17.926) 18.433 2.290 ( -0.653 -0.021 0.816) 1.045 2.400 ( -1.093 -1.868 3.751) 4.331 2.411 ( 0.002 -2.050 -0.601) 2.136 2.486 ( 0.662 -2.593 -2.373) 3.577 2.827 ( 3.900 -0.033 -15.116) 15.611 3.479 ( -1.192 -0.062 4.531) 4.685 3.495 ( 0.938 0.045 -2.648) 2.809 3.732 ( 0.462 -0.008 -1.516) 1.585 4.008 ( 0.265 -0.268 -0.687) 0.783 4.318 ( -0.388 0.142 0.977) 1.061 5.042 ( 0.074 0.115 -0.770) 0.782 5.218 ( -1.916 0.211 7.047) 7.306 5.524 ( 1.977 0.865 -6.822) 7.155 7.505 ( -0.091 -3.758 0.546) 3.799 7.597 ( 0.248 -4.076 -0.358) 4.099 7.723 ( -0.046 -0.466 0.368) 0.595 7.858 ( -0.024 -0.357 -0.298) 0.466 8.206 ( 0.126 -8.139 -0.188) 8.142 8.368 ( 0.199 -7.255 -0.476) 7.273 25.775 ( -0.978 -16.320 5.045) 17.110 26.233 ( 2.265 -9.651 -9.683) 13.857 ======================= Grid point 534 (252/322) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -2.870 2.585 11.585) 12.212 1.904 ( 4.391 1.683 -15.512) 16.209 2.248 ( -4.815 2.141 18.057) 18.810 2.278 ( -0.451 0.916 1.310) 1.662 2.399 ( -0.796 2.069 3.225) 3.913 2.411 ( 0.167 2.019 -0.864) 2.202 2.498 ( 0.205 1.252 -1.327) 1.836 2.823 ( 4.325 0.357 -14.829) 15.451 3.478 ( -0.946 0.133 3.330) 3.464 3.494 ( 0.288 0.057 -1.797) 1.820 3.732 ( 0.395 -0.001 -1.590) 1.638 4.008 ( 0.147 0.302 -0.791) 0.859 4.319 ( -0.189 -0.284 1.084) 1.136 5.043 ( 0.292 -0.205 -0.585) 0.685 5.220 ( -1.953 -0.389 6.981) 7.259 5.516 ( 1.722 -0.153 -6.484) 6.711 7.503 ( -0.186 3.969 0.614) 4.020 7.590 ( -0.125 4.786 0.049) 4.788 7.721 ( -0.154 0.616 0.402) 0.752 7.862 ( 0.205 -0.017 -0.473) 0.516 8.205 ( 0.023 8.195 -0.160) 8.197 8.359 ( -0.124 8.147 0.268) 8.152 25.802 ( -1.269 13.849 2.982) 14.223 26.179 ( 1.999 14.666 -5.097) 15.654 ======================= Grid point 535 (253/322) ======================= q-point: (-0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.768 6.193 13.296) 14.927 1.837 ( 4.734 4.770 -16.328) 17.657 2.169 ( -3.439 5.794 12.380) 14.094 2.247 ( -0.396 2.509 1.864) 3.151 2.320 ( -1.538 5.746 5.593) 8.165 2.335 ( 0.392 5.331 -1.202) 5.479 2.445 ( -0.787 3.655 2.129) 4.302 2.812 ( 4.671 1.061 -14.482) 15.254 3.474 ( -0.634 0.210 2.069) 2.175 3.491 ( -0.294 0.103 -1.057) 1.101 3.730 ( 0.297 0.247 -1.512) 1.561 3.997 ( 0.077 0.565 -0.863) 1.035 4.331 ( -0.048 -0.745 1.150) 1.371 5.055 ( 0.585 -1.035 -0.496) 1.288 5.232 ( -2.029 -0.827 6.899) 7.239 5.529 ( 1.660 -1.105 -6.322) 6.629 7.287 ( 0.400 20.670 1.025) 20.699 7.367 ( -0.476 19.589 0.149) 19.596 7.683 ( -0.180 3.883 0.365) 3.904 7.838 ( 0.249 3.289 -0.644) 3.361 7.946 ( -0.121 14.795 0.048) 14.795 8.097 ( -0.188 15.507 0.037) 15.508 25.184 ( -0.951 49.345 1.353) 49.373 25.613 ( 1.895 45.073 -1.349) 45.133 ======================= Grid point 536 (254/322) ======================= q-point: (-0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.188 7.879 15.332) 17.530 1.730 ( 5.124 5.887 -17.161) 18.853 2.023 ( -1.806 8.595 6.907) 11.173 2.168 ( -0.887 6.130 2.322) 6.615 2.183 ( -0.710 7.326 4.232) 8.491 2.216 ( 0.514 6.046 -1.900) 6.359 2.362 ( -2.554 4.552 9.047) 10.444 2.784 ( 4.785 2.250 -14.148) 15.103 3.470 ( -0.479 0.158 1.641) 1.716 3.485 ( -0.531 0.075 -1.134) 1.254 3.717 ( 0.232 1.107 -1.395) 1.796 3.989 ( 0.072 0.029 -0.774) 0.778 4.352 ( -0.050 -1.230 1.292) 1.784 5.094 ( 0.894 -2.642 -0.374) 2.814 5.249 ( -2.248 -0.930 7.315) 7.709 5.557 ( 1.834 -1.625 -6.663) 7.099 6.637 ( 1.258 44.511 1.753) 44.563 6.722 ( -0.795 44.810 -0.389) 44.819 7.536 ( -0.270 11.485 0.870) 11.521 7.694 ( 0.149 11.534 -0.966) 11.575 7.700 ( -0.406 10.529 1.079) 10.591 7.821 ( 0.312 11.995 -1.500) 12.093 23.762 ( -1.570 94.998 2.063) 95.033 24.298 ( 3.790 90.469 -4.176) 90.644 ======================= Grid point 537 (255/322) ======================= q-point: (-0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -4.152 7.473 17.515) 19.490 1.615 ( 5.550 5.637 -17.700) 19.388 1.846 ( -1.016 8.800 4.288) 9.841 2.003 ( -0.753 9.067 1.781) 9.270 2.044 ( 0.316 7.303 0.580) 7.333 2.108 ( 0.390 4.988 -1.020) 5.107 2.260 ( -3.861 5.826 13.914) 15.571 2.731 ( 4.617 3.512 -13.648) 14.830 3.467 ( -0.976 0.198 3.050) 3.208 3.482 ( 0.071 -0.241 -2.784) 2.795 3.680 ( 0.249 2.730 -1.361) 3.060 4.002 ( 0.041 -1.487 -0.411) 1.543 4.379 ( -0.267 -1.128 1.676) 2.038 5.165 ( 0.846 -3.552 0.030) 3.651 5.264 ( -2.687 -0.637 8.821) 9.243 5.577 ( 0.947 56.006 0.667) 56.018 5.590 ( 2.438 4.039 -6.995) 8.437 5.627 ( -0.522 63.445 -0.762) 63.451 7.212 ( -0.761 20.927 2.927) 21.145 7.357 ( 0.756 21.566 -3.519) 21.864 7.498 ( -1.511 10.657 5.121) 11.919 7.604 ( 1.539 9.869 -4.419) 10.922 21.360 ( -3.265 144.993 4.104) 145.088 21.981 ( 6.814 144.164 -13.785) 144.982 ======================= Grid point 538 (256/322) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -5.399 5.257 19.829) 21.213 1.526 ( 5.886 3.360 -18.181) 19.403 1.683 ( -0.457 8.012 3.412) 8.720 1.812 ( -0.242 10.237 -0.063) 10.240 1.904 ( 0.470 6.894 -1.221) 7.017 2.017 ( 0.249 4.143 -0.230) 4.157 2.126 ( -4.545 7.527 16.144) 18.383 2.656 ( 4.243 4.171 -13.077) 14.367 3.459 ( -1.556 0.575 4.271) 4.582 3.491 ( 0.837 -0.887 -3.586) 3.788 3.605 ( 0.376 4.673 -1.491) 4.920 4.041 ( -0.110 5.003 1.126) 5.130 4.152 ( -0.249 54.818 2.027) 54.856 4.216 ( 0.001 72.286 -1.725) 72.307 4.492 ( -0.185 11.035 0.414) 11.044 5.234 ( -2.330 -0.573 8.132) 8.479 5.298 ( -1.167 -3.571 4.758) 6.063 5.611 ( 3.359 -0.449 -10.095) 10.648 6.736 ( -1.737 25.197 5.920) 25.942 6.883 ( 2.193 24.427 -7.176) 25.553 7.281 ( -2.747 10.094 8.487) 13.471 7.437 ( 2.463 7.060 -6.464) 9.884 18.107 ( -3.641 174.244 5.334) 174.364 18.666 ( 6.881 184.889 -21.676) 186.283 ======================= Grid point 541 (257/322) ======================= q-point: ( 0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.169 -0.000 9.003) 9.079 0.994 ( -6.903 -0.000 21.585) 22.662 1.348 ( 1.778 0.000 -7.775) 7.976 1.505 ( 5.052 0.000 -23.540) 24.075 1.708 ( -0.086 -0.000 0.293) 0.306 1.891 ( -6.034 -0.000 19.373) 20.291 1.920 ( -1.367 -0.000 0.071) 1.369 2.096 ( -0.530 -0.000 0.574) 0.781 2.134 ( 0.901 0.000 -0.762) 1.180 2.550 ( 3.259 0.000 -13.402) 13.793 3.397 ( -0.984 -0.000 5.799) 5.882 3.483 ( 0.515 0.000 -0.579) 0.774 3.551 ( 2.115 0.000 -3.259) 3.885 4.216 ( -1.033 -0.000 0.824) 1.321 4.478 ( -1.412 -0.000 1.067) 1.770 5.184 ( -4.968 -0.000 20.964) 21.545 5.389 ( -2.945 -0.000 -0.561) 2.998 5.631 ( 6.043 0.000 -14.389) 15.607 6.138 ( -1.521 -0.000 4.919) 5.149 6.314 ( 4.316 0.000 -9.935) 10.833 7.062 ( -7.065 -0.000 9.834) 12.109 7.308 ( 1.279 0.000 -8.075) 8.175 13.252 ( 0.369 0.000 -1.606) 1.648 13.360 ( 0.085 0.000 -1.192) 1.195 ======================= Grid point 542 (258/322) ======================= q-point: ( 0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -6.837 -2.251 20.435) 21.665 1.471 ( 0.583 -15.091 -1.327) 15.161 1.497 ( 2.974 -6.459 -13.021) 14.836 1.569 ( 1.654 -13.596 -5.767) 14.861 1.767 ( -0.289 -5.241 -1.163) 5.376 1.940 ( -1.722 -3.634 4.655) 6.151 1.963 ( -5.037 -5.824 13.202) 15.283 2.578 ( 3.168 -4.318 -13.432) 14.460 2.726 ( 0.216 -60.922 -0.760) 60.927 2.796 ( -0.355 -62.241 0.010) 62.242 3.434 ( -1.377 -1.937 6.264) 6.700 3.511 ( 1.384 -2.507 -1.965) 3.473 3.542 ( 1.955 0.462 -2.782) 3.431 4.145 ( -0.766 5.329 0.685) 5.427 4.460 ( -1.654 0.966 1.719) 2.574 5.219 ( -4.047 -2.260 18.320) 18.897 5.332 ( -3.258 3.540 -0.981) 4.910 5.647 ( 5.550 -0.298 -12.978) 14.118 6.300 ( -1.643 -16.220 6.064) 17.394 6.487 ( 4.213 -15.957 -10.098) 19.348 7.080 ( -6.003 -5.150 10.124) 12.847 7.330 ( 0.936 -3.319 -8.070) 8.776 14.823 ( -1.859 -136.130 2.976) 136.175 15.037 ( 1.022 -157.290 -10.598) 157.650 ======================= Grid point 543 (259/322) ======================= q-point: ( 0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -6.337 -5.603 18.405) 20.256 1.511 ( 3.757 -3.176 -19.859) 20.459 1.691 ( -0.471 -7.399 2.082) 7.701 1.836 ( 1.278 -10.677 0.662) 10.774 1.889 ( -0.594 -7.194 -1.152) 7.310 2.023 ( 0.380 -4.865 -1.145) 5.012 2.097 ( -5.846 -7.155 16.121) 18.581 2.656 ( 3.269 -4.299 -14.359) 15.341 3.456 ( -1.079 -0.494 5.223) 5.357 3.516 ( 2.248 0.959 -3.100) 3.948 3.611 ( 0.761 -4.398 -1.275) 4.642 4.039 ( -0.313 -0.859 0.595) 1.090 4.153 ( -0.833 -57.563 1.846) 57.598 4.198 ( -0.100 -73.206 -1.138) 73.215 4.475 ( -1.196 -12.507 0.918) 12.598 5.233 ( -2.344 4.281 -1.483) 5.101 5.257 ( -3.226 -0.792 12.927) 13.346 5.650 ( 4.392 0.975 -10.357) 11.292 6.739 ( -1.421 -25.483 5.987) 26.216 6.904 ( 3.115 -23.489 -7.869) 24.967 7.244 ( -3.857 -11.663 8.376) 14.868 7.432 ( 0.970 -7.317 -7.021) 10.187 18.042 ( -3.285 -172.962 7.207) 173.143 18.631 ( 1.673 -187.405 -16.930) 188.175 ======================= Grid point 544 (260/322) ======================= q-point: ( 0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -5.599 -8.143 16.154) 18.937 1.591 ( 3.707 -5.320 -18.994) 20.070 1.850 ( -0.835 -8.686 3.586) 9.434 2.027 ( 0.248 -8.334 0.867) 8.382 2.046 ( -0.234 -8.822 0.556) 8.842 2.126 ( 0.962 -5.128 -1.684) 5.483 2.216 ( -5.226 -5.425 13.967) 15.869 2.732 ( 3.316 -3.565 -15.093) 15.858 3.465 ( -0.917 -0.271 4.841) 4.935 3.507 ( 1.954 0.587 -2.887) 3.535 3.683 ( 0.586 -2.580 -1.169) 2.893 3.999 ( 0.111 1.232 -0.169) 1.248 4.363 ( -1.229 0.862 1.538) 2.149 5.136 ( -1.618 3.245 -1.919) 4.103 5.261 ( -2.163 0.513 9.414) 9.673 5.583 ( 0.122 -61.702 -1.319) 61.716 5.621 ( 1.675 -34.311 -3.561) 34.536 5.631 ( 1.499 -28.482 -4.567) 28.885 7.220 ( -0.569 -21.015 2.888) 21.220 7.362 ( 1.333 -20.681 -3.519) 21.021 7.482 ( -1.820 -11.720 5.155) 12.932 7.605 ( 1.001 -10.319 -4.627) 11.353 21.267 ( -2.568 -145.143 8.183) 145.396 22.018 ( 1.934 -148.394 -15.994) 149.266 ======================= Grid point 545 (261/322) ======================= q-point: ( 0.46 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -4.929 -8.460 14.140) 17.199 1.698 ( 3.930 -5.824 -17.888) 19.218 2.030 ( -1.427 -8.824 6.087) 10.815 2.187 ( -0.077 -7.501 0.638) 7.528 2.216 ( -1.267 -7.164 3.915) 8.262 2.224 ( 0.871 -4.963 -0.363) 5.052 2.305 ( -3.108 -4.467 7.853) 9.554 2.786 ( 3.379 -2.250 -15.490) 16.013 3.472 ( -0.985 -0.234 4.858) 4.962 3.503 ( 1.629 0.362 -2.834) 3.289 3.719 ( 0.530 -1.039 -1.198) 1.673 3.990 ( 0.365 -0.154 -0.472) 0.616 4.340 ( -0.847 0.941 0.989) 1.606 5.074 ( -0.793 1.908 -1.569) 2.594 5.246 ( -1.864 0.979 7.666) 7.950 5.589 ( 2.692 2.140 -7.700) 8.433 6.649 ( 0.548 -44.422 -1.235) 44.443 6.737 ( -0.151 -45.487 -0.497) 45.490 7.544 ( 0.016 -11.341 0.742) 11.365 7.686 ( -0.000 -11.401 -0.541) 11.414 7.697 ( -0.232 -10.666 1.363) 10.755 7.834 ( 0.782 -12.559 -1.619) 12.687 23.680 ( -0.874 -96.272 7.265) 96.550 24.403 ( 1.361 -92.253 -13.500) 93.246 ======================= Grid point 546 (262/322) ======================= q-point: ( 0.54 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -4.274 -6.320 12.493) 14.638 1.806 ( 4.156 -5.279 -16.583) 17.892 2.183 ( -3.130 -5.925 11.937) 13.689 2.278 ( 0.506 -1.801 0.158) 1.877 2.328 ( -0.198 -5.535 0.554) 5.566 2.339 ( -2.816 -4.332 8.880) 10.274 2.402 ( 0.642 -5.349 -2.710) 6.030 2.814 ( 3.536 -1.033 -15.469) 15.901 3.477 ( -1.144 -0.162 4.894) 5.028 3.500 ( 1.307 0.252 -2.850) 3.146 3.731 ( 0.512 -0.210 -1.374) 1.481 4.000 ( 0.372 -0.533 -0.617) 0.896 4.323 ( -0.570 0.487 0.870) 1.149 5.047 ( -0.208 0.562 -1.106) 1.258 5.228 ( -1.838 0.788 7.130) 7.405 5.551 ( 2.177 1.766 -7.196) 7.722 7.299 ( 0.388 -19.836 -0.250) 19.841 7.384 ( 0.036 -19.761 -0.771) 19.776 7.688 ( 0.062 -3.729 0.313) 3.743 7.828 ( -0.119 -3.406 -0.260) 3.418 7.946 ( 0.101 -14.914 0.394) 14.920 8.118 ( 0.421 -15.488 -1.008) 15.526 25.132 ( 0.007 -50.528 6.269) 50.915 25.720 ( 0.912 -43.726 -11.857) 45.314 ======================= Grid point 547 (263/322) ======================= q-point: ( 0.62 0.15 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -3.452 -2.289 11.289) 12.025 1.891 ( 4.188 -2.887 -15.478) 16.292 2.254 ( -5.292 -1.363 16.575) 17.453 2.295 ( 0.485 0.214 2.775) 2.825 2.399 ( -1.014 -1.944 3.599) 4.215 2.409 ( 0.096 -2.130 -0.831) 2.289 2.485 ( 0.476 -2.551 -2.469) 3.582 2.824 ( 3.874 -0.282 -15.211) 15.699 3.480 ( -1.176 -0.007 4.476) 4.628 3.497 ( 0.891 0.229 -2.585) 2.744 3.733 ( 0.473 0.036 -1.544) 1.615 4.009 ( 0.260 -0.197 -0.702) 0.774 4.317 ( -0.367 0.033 0.978) 1.045 5.041 ( 0.087 -0.024 -0.759) 0.764 5.218 ( -1.899 0.246 7.058) 7.313 5.524 ( 1.886 0.925 -6.816) 7.132 7.505 ( -0.100 -3.691 0.555) 3.734 7.598 ( 0.147 -4.016 -0.344) 4.033 7.723 ( -0.069 -0.415 0.375) 0.564 7.857 ( 0.030 -0.435 -0.312) 0.536 8.207 ( 0.127 -8.038 -0.175) 8.041 8.368 ( 0.056 -7.278 -0.454) 7.292 25.781 ( -0.624 -15.683 5.153) 16.520 26.226 ( 1.556 -10.447 -9.663) 14.316 ======================= Grid point 548 (264/322) ======================= q-point: (-0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -2.847 2.258 11.574) 12.131 1.905 ( 4.250 1.614 -15.559) 16.210 2.242 ( -4.838 1.806 14.033) 14.953 2.287 ( -0.026 1.371 5.529) 5.697 2.400 ( -0.969 2.065 3.565) 4.233 2.410 ( 0.247 1.970 -0.974) 2.212 2.495 ( 0.029 1.266 -1.875) 2.262 2.825 ( 4.298 0.098 -14.803) 15.414 3.478 ( -0.943 0.156 3.412) 3.544 3.492 ( 0.343 0.253 -1.865) 1.913 3.732 ( 0.395 0.041 -1.555) 1.605 4.007 ( 0.157 0.362 -0.771) 0.866 4.320 ( -0.223 -0.375 1.075) 1.160 5.044 ( 0.267 -0.330 -0.607) 0.741 5.219 ( -1.968 -0.347 6.976) 7.257 5.516 ( 1.823 -0.136 -6.510) 6.762 7.503 ( -0.155 3.919 0.613) 3.970 7.589 ( -0.011 4.851 0.003) 4.851 7.721 ( -0.126 0.643 0.396) 0.766 7.862 ( 0.139 -0.057 -0.453) 0.477 8.205 ( 0.061 8.179 -0.152) 8.181 8.359 ( -0.001 8.210 0.186) 8.212 25.797 ( -1.524 14.188 3.267) 14.639 26.187 ( 2.614 14.023 -5.653) 15.344 ======================= Grid point 549 (265/322) ======================= q-point: (-0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -2.843 6.018 13.225) 14.806 1.837 ( 4.386 4.669 -16.476) 17.678 2.169 ( -3.302 5.549 11.670) 13.337 2.250 ( 0.018 2.891 2.014) 3.523 2.320 ( -1.375 5.703 5.513) 8.050 2.336 ( 0.327 5.301 -0.647) 5.350 2.441 ( -1.134 3.532 1.801) 4.124 2.819 ( 4.560 0.899 -14.494) 15.221 3.474 ( -0.633 0.213 2.434) 2.524 3.485 ( -0.070 0.272 -1.332) 1.361 3.729 ( 0.309 0.277 -1.414) 1.474 3.996 ( 0.112 0.591 -0.797) 0.998 4.333 ( -0.172 -0.804 1.112) 1.383 5.059 ( 0.433 -1.202 -0.599) 1.411 5.230 ( -2.050 -0.780 6.905) 7.245 5.530 ( 1.969 -1.100 -6.441) 6.824 7.295 ( 0.541 19.932 0.847) 19.957 7.364 ( -0.236 20.028 -0.025) 20.030 7.682 ( -0.106 3.891 0.348) 3.908 7.838 ( 0.101 3.320 -0.576) 3.371 7.945 ( -0.120 14.893 0.118) 14.894 8.096 ( 0.139 15.572 -0.136) 15.573 25.176 ( -1.899 49.306 2.645) 49.414 25.633 ( 3.573 44.796 -3.619) 45.084 ======================= Grid point 550 (266/322) ======================= q-point: (-0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -3.472 7.926 15.111) 17.413 1.731 ( 4.646 5.671 -17.354) 18.839 2.024 ( -1.712 8.590 6.657) 11.002 2.167 ( -0.772 6.515 2.771) 7.122 2.190 ( -0.092 6.963 3.362) 7.732 2.216 ( 0.530 6.122 -1.893) 6.429 2.358 ( -3.119 4.380 9.046) 10.523 2.792 ( 4.575 2.179 -14.278) 15.150 3.471 ( -0.872 0.196 3.176) 3.300 3.479 ( 0.301 0.145 -2.452) 2.475 3.716 ( 0.271 1.119 -1.258) 1.705 3.988 ( 0.090 0.019 -0.676) 0.682 4.354 ( -0.277 -1.244 1.234) 1.774 5.099 ( 0.473 -2.805 -0.615) 2.911 5.247 ( -2.244 -0.894 7.344) 7.731 5.559 ( 2.326 -1.617 -6.870) 7.431 6.654 ( 1.185 44.436 1.213) 44.468 6.714 ( -0.463 44.848 -0.533) 44.853 7.536 ( -0.160 11.457 0.825) 11.487 7.693 ( 0.129 11.503 -0.902) 11.539 7.699 ( -0.508 10.589 1.217) 10.671 7.821 ( 0.528 11.965 -1.552) 12.077 23.747 ( -3.184 95.306 3.805) 95.435 24.329 ( 5.522 90.292 -7.073) 90.737 ======================= Grid point 551 (267/322) ======================= q-point: (-0.08 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.587 7.646 17.136) 19.317 1.619 ( 4.930 5.372 -17.973) 19.396 1.848 ( -0.985 8.733 4.041) 9.673 2.003 ( -0.157 9.104 1.799) 9.282 2.048 ( 0.134 7.491 0.347) 7.500 2.110 ( 0.633 4.921 -1.180) 5.100 2.256 ( -4.467 5.704 13.728) 15.523 2.737 ( 4.333 3.514 -13.898) 14.976 3.465 ( -1.488 0.304 4.147) 4.417 3.480 ( 1.231 -0.307 -3.520) 3.742 3.679 ( 0.330 2.718 -1.224) 2.999 4.001 ( -0.028 -1.488 -0.319) 1.522 4.379 ( -0.590 -1.108 1.642) 2.066 5.170 ( 0.162 -3.638 -0.329) 3.656 5.261 ( -2.725 -0.615 8.797) 9.230 5.586 ( 1.439 37.475 -2.375) 37.577 5.598 ( 2.102 23.380 -4.674) 23.935 5.620 ( -0.238 62.903 -0.756) 62.908 7.213 ( -0.641 20.957 2.893) 21.165 7.356 ( 0.896 21.491 -3.442) 21.784 7.496 ( -1.703 10.732 5.073) 11.992 7.607 ( 1.421 9.698 -4.444) 10.762 21.334 ( -4.546 145.062 5.702) 145.245 22.008 ( 6.742 144.886 -15.332) 145.851 ======================= Grid point 555 (268/322) ======================= q-point: ( 0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.247 -0.000 8.724) 8.813 0.982 ( -7.070 -0.000 20.819) 21.987 1.345 ( 1.913 0.000 -7.797) 8.028 1.486 ( 4.174 0.000 -24.011) 24.371 1.707 ( -0.138 -0.000 0.138) 0.196 1.883 ( -6.138 -0.000 19.318) 20.270 1.906 ( -1.604 -0.000 0.080) 1.606 2.093 ( -0.426 -0.000 0.645) 0.773 2.139 ( 0.689 0.000 -1.041) 1.249 2.543 ( 3.000 0.000 -13.810) 14.132 3.404 ( -0.904 -0.000 6.113) 6.179 3.489 ( 0.889 0.000 -0.513) 1.026 3.564 ( 2.327 0.000 -3.107) 3.881 4.209 ( -0.876 -0.000 1.095) 1.402 4.466 ( -1.832 -0.000 1.555) 2.403 5.194 ( -4.683 -0.000 21.257) 21.767 5.354 ( -3.594 -0.000 -1.019) 3.735 5.651 ( 5.952 0.000 -14.253) 15.446 6.137 ( -1.401 -0.000 4.980) 5.174 6.329 ( 4.418 0.000 -10.920) 11.780 7.019 ( -7.062 -0.000 10.681) 12.804 7.293 ( 0.338 0.000 -8.569) 8.575 13.250 ( 0.307 0.000 -1.720) 1.747 13.357 ( -0.027 -0.000 -1.298) 1.299 ======================= Grid point 556 (269/322) ======================= q-point: ( 0.31 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -6.900 -2.253 19.850) 21.136 1.464 ( 2.872 -3.975 -16.638) 17.345 1.494 ( -0.382 -16.918 1.331) 16.974 1.572 ( 2.118 -14.742 -5.538) 15.889 1.762 ( -0.291 -4.950 -0.857) 5.032 1.935 ( -0.925 -3.590 0.766) 3.786 1.949 ( -5.958 -6.204 17.096) 19.138 2.571 ( 2.947 -4.208 -13.913) 14.831 2.726 ( 0.176 -60.841 -0.769) 60.846 2.792 ( -0.428 -62.211 -0.028) 62.213 3.438 ( -1.222 -1.782 6.469) 6.820 3.521 ( 1.467 -2.865 -1.751) 3.664 3.555 ( 2.085 0.916 -2.812) 3.619 4.140 ( -0.602 5.248 0.790) 5.342 4.447 ( -1.876 0.866 2.034) 2.899 5.228 ( -4.359 -2.071 17.867) 18.507 5.296 ( -3.148 3.311 -0.905) 4.658 5.666 ( 5.311 -0.160 -12.817) 13.875 6.301 ( -1.545 -16.325 6.221) 17.538 6.500 ( 4.116 -15.849 -10.867) 19.653 7.050 ( -5.629 -5.933 10.529) 13.332 7.314 ( 0.397 -3.610 -8.379) 9.132 14.815 ( -1.457 -135.848 2.925) 135.888 15.018 ( 0.505 -156.092 -9.259) 156.367 ======================= Grid point 557 (270/322) ======================= q-point: ( 0.38 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.329 -5.676 18.180) 20.069 1.493 ( 3.558 -3.371 -20.288) 20.872 1.692 ( -0.490 -7.434 2.037) 7.723 1.849 ( 1.016 -10.687 0.553) 10.750 1.880 ( -0.552 -7.102 -0.932) 7.184 2.022 ( 0.046 -5.223 -1.634) 5.473 2.086 ( -5.424 -7.072 16.761) 18.983 2.648 ( 3.050 -4.309 -14.739) 15.656 3.461 ( -0.950 -0.478 5.437) 5.540 3.529 ( 2.175 1.064 -3.050) 3.895 3.616 ( 0.819 -4.273 -1.317) 4.546 4.038 ( -0.268 -0.713 0.590) 0.964 4.149 ( -0.918 -57.167 1.644) 57.198 4.196 ( 0.162 -73.488 -0.931) 73.494 4.465 ( -1.230 -13.096 1.071) 13.197 5.200 ( -3.180 3.577 -1.647) 5.062 5.266 ( -2.372 -0.362 12.831) 13.054 5.664 ( 4.073 1.171 -10.322) 11.158 6.741 ( -1.416 -25.466 6.055) 26.214 6.913 ( 2.969 -23.300 -8.184) 24.874 7.231 ( -3.485 -12.266 8.533) 15.343 7.421 ( 0.787 -7.727 -7.161) 10.564 18.035 ( -2.099 -173.065 7.358) 173.235 18.598 ( 0.724 -187.401 -15.553) 188.047 ======================= Grid point 558 (271/322) ======================= q-point: ( 0.46 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -5.621 -8.210 16.124) 18.947 1.576 ( 3.876 -5.577 -19.130) 20.299 1.852 ( -0.808 -8.724 3.692) 9.508 2.028 ( -0.217 -8.029 -0.250) 8.036 2.046 ( -0.341 -9.066 1.669) 9.225 2.128 ( 0.395 -5.391 -1.869) 5.719 2.207 ( -4.287 -5.375 14.326) 15.891 2.723 ( 3.143 -3.589 -15.381) 16.104 3.470 ( -0.894 -0.223 5.045) 5.128 3.518 ( 1.814 0.707 -2.965) 3.547 3.686 ( 0.643 -2.524 -1.253) 2.890 4.000 ( 0.210 1.137 -0.201) 1.174 4.356 ( -1.156 0.759 1.536) 2.067 5.114 ( -1.602 2.757 -1.975) 3.751 5.266 ( -2.025 0.686 9.455) 9.694 5.583 ( 0.528 -61.751 -1.047) 61.762 5.622 ( -0.478 -63.097 0.075) 63.099 5.635 ( 2.843 0.338 -8.400) 8.874 7.222 ( -0.663 -21.024 2.928) 21.237 7.365 ( 1.336 -20.453 -3.634) 20.816 7.479 ( -1.627 -11.998 5.230) 13.189 7.602 ( 0.942 -10.736 -4.672) 11.746 21.273 ( -0.858 -145.484 8.611) 145.741 21.986 ( 0.266 -148.779 -15.702) 149.605 ======================= Grid point 559 (272/322) ======================= q-point: ( 0.54 0.23 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -4.984 -8.533 14.156) 17.264 1.690 ( 4.299 -6.071 -17.817) 19.308 2.032 ( -1.525 -8.819 6.339) 10.967 2.186 ( -0.350 -7.662 0.086) 7.671 2.211 ( -1.953 -6.698 4.538) 8.323 2.230 ( 0.439 -5.391 -0.353) 5.421 2.302 ( -1.845 -4.508 7.917) 9.295 2.777 ( 3.301 -2.339 -15.684) 16.198 3.475 ( -1.020 -0.160 4.960) 5.066 3.510 ( 1.474 0.476 -2.927) 3.311 3.721 ( 0.569 -1.002 -1.301) 1.738 3.993 ( 0.389 -0.163 -0.527) 0.675 4.334 ( -0.741 0.842 0.997) 1.500 5.063 ( -0.642 1.501 -1.515) 2.227 5.249 ( -1.820 1.083 7.705) 7.991 5.593 ( 2.315 2.257 -7.679) 8.332 6.654 ( 0.917 -44.487 -0.777) 44.503 6.730 ( -0.860 -45.531 -0.746) 45.545 7.545 ( -0.085 -11.351 0.782) 11.378 7.685 ( 0.139 -11.155 -0.587) 11.172 7.699 ( -0.205 -10.857 1.297) 10.936 7.837 ( 0.636 -12.695 -1.574) 12.808 23.700 ( 0.642 -96.344 7.837) 96.665 24.368 ( -0.712 -92.691 -13.525) 93.675 ======================= Grid point 560 (273/322) ======================= q-point: (-0.38 -0.77 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -4.300 -6.503 12.515) 14.744 1.804 ( 4.502 -5.400 -16.459) 17.897 2.183 ( -3.580 -5.685 12.193) 13.922 2.281 ( -0.078 -2.361 0.564) 2.428 2.328 ( 0.039 -5.660 -0.211) 5.664 2.337 ( -2.549 -4.138 8.878) 10.121 2.403 ( 0.910 -5.184 -2.184) 5.699 2.807 ( 3.557 -1.203 -15.590) 16.036 3.479 ( -1.159 -0.086 4.800) 4.939 3.504 ( 1.148 0.368 -2.805) 3.053 3.733 ( 0.525 -0.170 -1.460) 1.561 4.002 ( 0.346 -0.484 -0.672) 0.898 4.320 ( -0.475 0.396 0.892) 1.086 5.042 ( -0.100 0.341 -1.036) 1.095 5.230 ( -1.811 0.847 7.146) 7.420 5.552 ( 1.895 1.810 -7.133) 7.599 7.303 ( 0.345 -19.555 -0.020) 19.558 7.380 ( -0.298 -20.243 -0.764) 20.260 7.689 ( -0.017 -3.699 0.334) 3.714 7.827 ( 0.034 -3.418 -0.318) 3.433 7.948 ( 0.093 -14.914 0.363) 14.919 8.118 ( 0.129 -15.291 -0.898) 15.318 25.154 ( 0.789 -50.002 6.558) 50.437 25.689 ( -0.659 -44.580 -11.453) 46.032 ======================= Grid point 561 (274/322) ======================= q-point: (-0.31 -0.77 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -3.437 -2.605 11.322) 12.115 1.891 ( 4.347 -2.864 -15.445) 16.299 2.244 ( -4.891 -1.077 13.920) 14.794 2.309 ( -0.343 -0.184 6.120) 6.133 2.399 ( -0.987 -1.975 3.435) 4.083 2.408 ( 0.204 -2.154 -0.894) 2.341 2.483 ( 0.594 -2.366 -2.730) 3.662 2.821 ( 3.924 -0.532 -15.245) 15.751 3.480 ( -1.162 0.036 4.332) 4.485 3.499 ( 0.795 0.363 -2.475) 2.625 3.733 ( 0.470 0.075 -1.577) 1.647 4.009 ( 0.241 -0.141 -0.726) 0.778 4.316 ( -0.326 -0.042 0.992) 1.045 5.040 ( 0.124 -0.131 -0.728) 0.750 5.219 ( -1.889 0.295 7.059) 7.313 5.524 ( 1.783 0.894 -6.774) 7.062 7.506 ( -0.137 -3.640 0.564) 3.686 7.598 ( 0.025 -4.057 -0.285) 4.067 7.723 ( -0.102 -0.389 0.386) 0.557 7.857 ( 0.105 -0.456 -0.342) 0.579 8.207 ( 0.089 -7.939 -0.173) 7.941 8.367 ( -0.074 -7.426 -0.340) 7.434 25.790 ( -0.451 -14.751 5.025) 15.590 26.213 ( 1.029 -11.799 -9.142) 14.961 ======================= Grid point 562 (275/322) ======================= q-point: (-0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -2.889 1.957 11.533) 12.050 1.904 ( 4.121 1.697 -15.606) 16.230 2.234 ( -4.075 1.486 12.308) 13.050 2.301 ( -0.765 1.631 7.302) 7.521 2.400 ( -1.060 2.040 3.807) 4.448 2.411 ( 0.297 1.901 -0.753) 2.066 2.489 ( 0.154 1.406 -2.587) 2.948 2.827 ( 4.250 -0.120 -14.804) 15.402 3.478 ( -1.004 0.151 3.682) 3.819 3.491 ( 0.485 0.393 -2.084) 2.175 3.732 ( 0.400 0.070 -1.525) 1.578 4.007 ( 0.177 0.400 -0.744) 0.864 4.321 ( -0.270 -0.423 1.057) 1.169 5.045 ( 0.224 -0.407 -0.645) 0.795 5.219 ( -1.973 -0.296 6.981) 7.260 5.517 ( 1.928 -0.210 -6.569) 6.850 7.503 ( -0.140 3.856 0.597) 3.905 7.590 ( 0.118 4.813 -0.077) 4.815 7.721 ( -0.094 0.644 0.388) 0.758 7.862 ( 0.067 -0.043 -0.416) 0.424 8.205 ( 0.071 8.152 -0.162) 8.154 8.360 ( 0.150 8.158 0.051) 8.160 25.790 ( -1.764 14.703 3.681) 15.259 26.199 ( 3.179 12.989 -6.559) 14.894 ======================= Grid point 563 (276/322) ======================= q-point: (-0.15 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -3.078 5.916 13.080) 14.682 1.834 ( 4.058 4.659 -16.608) 17.720 2.168 ( -3.004 5.322 11.265) 12.816 2.256 ( 0.048 3.240 1.633) 3.629 2.323 ( -0.956 5.507 5.028) 7.518 2.338 ( 0.033 5.302 0.759) 5.356 2.433 ( -1.299 3.541 1.119) 3.935 2.823 ( 4.372 0.786 -14.608) 15.268 3.475 ( -1.038 0.204 3.815) 3.959 3.483 ( 0.624 0.354 -2.520) 2.620 3.729 ( 0.337 0.291 -1.336) 1.408 3.995 ( 0.165 0.609 -0.721) 0.958 4.333 ( -0.315 -0.816 1.056) 1.371 5.060 ( 0.237 -1.264 -0.741) 1.485 5.229 ( -2.045 -0.738 6.933) 7.266 5.533 ( 2.251 -1.178 -6.629) 7.099 7.300 ( 0.200 19.344 0.371) 19.349 7.364 ( 0.357 20.334 -0.092) 20.337 7.682 ( -0.032 3.884 0.330) 3.898 7.837 ( -0.032 3.347 -0.477) 3.381 7.944 ( -0.131 14.970 0.193) 14.971 8.099 ( 0.501 15.628 -0.361) 15.640 25.161 ( -2.894 49.564 3.725) 49.787 25.663 ( 5.083 44.299 -6.057) 45.000 ======================= Grid point 564 (277/322) ======================= q-point: (-0.08 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -3.880 8.038 14.813) 17.294 1.728 ( 4.185 5.534 -17.562) 18.883 2.025 ( -1.643 8.624 6.360) 10.841 2.169 ( -0.376 6.578 3.020) 7.248 2.199 ( 0.226 7.002 2.768) 7.532 2.216 ( 0.481 6.089 -1.807) 6.370 2.349 ( -3.641 4.270 8.850) 10.479 2.796 ( 4.277 2.140 -14.533) 15.299 3.469 ( -1.395 0.305 4.261) 4.494 3.479 ( 1.319 0.042 -3.179) 3.442 3.716 ( 0.326 1.114 -1.168) 1.647 3.987 ( 0.129 0.039 -0.580) 0.596 4.353 ( -0.507 -1.216 1.163) 1.758 5.100 ( 0.015 -2.805 -0.913) 2.950 5.245 ( -2.199 -0.863 7.402) 7.770 5.565 ( 2.722 -1.692 -7.135) 7.822 6.662 ( 0.030 44.313 -0.210) 44.313 6.714 ( 0.757 45.046 0.025) 45.052 7.537 ( -0.061 11.419 0.780) 11.446 7.692 ( 0.139 11.693 -1.001) 11.737 7.697 ( -0.578 10.417 1.531) 10.545 7.823 ( 0.712 12.035 -1.602) 12.162 23.722 ( -4.196 95.618 5.032) 95.842 24.366 ( 6.366 90.499 -9.526) 91.222 ======================= Grid point 569 (278/322) ======================= q-point: ( 0.31 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -7.044 -0.000 20.182) 21.376 0.971 ( -1.674 -0.000 8.738) 8.897 1.344 ( 2.148 0.000 -7.944) 8.229 1.459 ( 3.693 0.000 -24.097) 24.378 1.706 ( -0.180 -0.000 0.091) 0.201 1.875 ( -6.000 -0.000 19.438) 20.343 1.890 ( -1.509 -0.000 0.032) 1.509 2.091 ( -0.304 -0.000 0.775) 0.832 2.141 ( 0.407 0.000 -1.224) 1.290 2.534 ( 2.857 0.000 -14.134) 14.419 3.412 ( -0.934 -0.000 6.355) 6.423 3.497 ( 1.088 0.000 -0.607) 1.246 3.579 ( 2.252 0.000 -3.025) 3.772 4.205 ( -0.579 -0.000 1.106) 1.249 4.452 ( -1.959 -0.000 1.962) 2.773 5.204 ( -4.872 -0.000 20.086) 20.668 5.316 ( -3.479 -0.000 -0.052) 3.479 5.670 ( 5.558 0.000 -14.020) 15.082 6.138 ( -1.309 -0.000 5.159) 5.322 6.340 ( 4.082 0.000 -11.821) 12.506 6.984 ( -6.008 -0.000 11.421) 12.905 7.270 ( -0.078 -0.000 -8.943) 8.943 13.249 ( 0.269 0.000 -1.770) 1.790 13.353 ( -0.072 -0.000 -1.347) 1.349 ======================= Grid point 570 (279/322) ======================= q-point: ( 0.38 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -6.701 -2.297 19.535) 20.780 1.442 ( 3.452 -1.105 -21.290) 21.596 1.493 ( -1.754 -19.171 5.306) 19.969 1.580 ( 2.393 -15.767 -5.111) 16.746 1.757 ( -0.166 -4.763 -0.616) 4.806 1.924 ( -1.548 -3.882 0.462) 4.205 1.942 ( -5.011 -6.197 17.599) 19.320 2.561 ( 2.857 -4.106 -14.233) 15.086 2.726 ( 0.121 -60.763 -0.701) 60.767 2.788 ( -0.410 -62.264 -0.041) 62.265 3.444 ( -1.173 -1.697 6.555) 6.872 3.530 ( 1.396 -3.021 -1.719) 3.746 3.567 ( 1.945 1.229 -2.864) 3.674 4.138 ( -0.366 5.218 0.733) 5.282 4.435 ( -1.758 0.755 2.263) 2.963 5.221 ( -4.865 -0.327 9.870) 11.009 5.276 ( -2.391 1.511 6.878) 7.437 5.681 ( 4.777 -0.028 -12.634) 13.507 6.303 ( -1.502 -16.401 6.439) 17.684 6.508 ( 3.625 -15.834 -11.437) 19.866 7.028 ( -4.560 -6.446 10.811) 13.387 7.294 ( 0.303 -3.996 -8.523) 9.419 14.811 ( -0.890 -135.873 2.863) 135.906 14.998 ( 0.499 -154.939 -8.476) 155.172 ======================= Grid point 571 (280/322) ======================= q-point: ( 0.46 0.31 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.074 -5.705 18.233) 20.047 1.473 ( 3.751 -3.670 -20.450) 21.113 1.692 ( -0.595 -7.559 2.180) 7.890 1.856 ( 0.121 -10.498 0.201) 10.501 1.875 ( 0.006 -7.030 -0.486) 7.047 2.015 ( -0.561 -5.530 -1.076) 5.662 2.082 ( -4.433 -7.054 16.526) 18.507 2.637 ( 2.996 -4.297 -14.946) 15.838 3.466 ( -0.950 -0.454 5.474) 5.574 3.541 ( 1.872 1.167 -3.077) 3.786 3.620 ( 0.805 -4.175 -1.423) 4.484 4.037 ( -0.275 -1.191 0.658) 1.389 4.144 ( -0.892 -56.368 1.530) 56.396 4.196 ( 0.441 -73.629 -0.869) 73.636 4.457 ( -1.012 -13.536 1.181) 13.625 5.166 ( -2.641 2.978 -1.459) 4.239 5.277 ( -2.441 -0.028 12.657) 12.890 5.673 ( 3.515 1.336 -10.240) 10.908 6.743 ( -1.465 -25.392 6.124) 26.162 6.918 ( 2.579 -23.284 -8.329) 24.863 7.223 ( -2.828 -12.648 8.621) 15.566 7.410 ( 0.856 -8.145 -7.211) 10.912 18.041 ( -0.857 -173.512 7.289) 173.667 18.563 ( 0.691 -186.848 -14.766) 187.432 ======================= Grid point 572 (281/322) ======================= q-point: (-0.46 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -5.428 -8.188 16.295) 19.028 1.565 ( 4.317 -5.899 -19.086) 20.438 1.854 ( -0.909 -8.772 3.867) 9.629 2.023 ( -0.414 -8.120 -0.337) 8.138 2.046 ( -0.722 -8.791 2.116) 9.071 2.124 ( -0.262 -5.594 -1.307) 5.751 2.209 ( -3.122 -5.450 13.881) 15.236 2.712 ( 3.168 -3.609 -15.497) 16.224 3.474 ( -0.968 -0.169 5.015) 5.110 3.526 ( 1.504 0.792 -3.040) 3.483 3.689 ( 0.642 -2.480 -1.391) 2.915 4.001 ( 0.245 1.068 -0.275) 1.130 4.350 ( -0.892 0.690 1.565) 1.929 5.096 ( -1.100 2.314 -1.739) 3.097 5.271 ( -2.073 0.851 9.418) 9.681 5.586 ( 0.402 -61.809 -0.523) 61.812 5.615 ( -0.691 -64.543 0.029) 64.546 5.639 ( 2.532 1.965 -8.512) 9.095 7.223 ( -0.795 -21.017 2.976) 21.241 7.368 ( 1.243 -20.368 -3.708) 20.740 7.479 ( -1.372 -12.110 5.249) 13.270 7.599 ( 0.948 -11.113 -4.691) 12.099 21.295 ( 0.444 -145.937 8.630) 146.193 21.942 ( -0.390 -148.509 -15.099) 149.275 ======================= Grid point 573 (282/322) ======================= q-point: (-0.38 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -4.836 -8.540 14.309) 17.351 1.686 ( 4.771 -6.303 -17.659) 19.348 2.034 ( -1.793 -8.756 6.681) 11.159 2.181 ( -0.807 -7.497 0.711) 7.574 2.204 ( -1.840 -6.734 4.480) 8.294 2.230 ( -0.081 -5.717 -0.697) 5.760 2.310 ( -0.984 -4.492 8.047) 9.268 2.767 ( 3.425 -2.427 -15.722) 16.273 3.478 ( -1.099 -0.097 4.797) 4.922 3.515 ( 1.189 0.545 -2.925) 3.204 3.723 ( 0.560 -0.970 -1.438) 1.823 3.995 ( 0.340 -0.158 -0.621) 0.726 4.331 ( -0.521 0.785 1.050) 1.411 5.054 ( -0.271 1.204 -1.304) 1.795 5.252 ( -1.847 1.167 7.691) 7.995 5.593 ( 1.863 2.312 -7.540) 8.104 6.660 ( 0.497 -44.569 -0.307) 44.573 6.718 ( -0.885 -45.479 -0.697) 45.492 7.546 ( -0.239 -11.378 0.839) 11.412 7.686 ( 0.327 -10.978 -0.728) 11.007 7.700 ( -0.217 -10.975 1.244) 11.048 7.838 ( 0.438 -12.760 -1.521) 12.857 23.732 ( 1.268 -96.306 7.698) 96.622 24.320 ( -1.652 -92.864 -12.335) 93.694 ======================= Grid point 574 (283/322) ======================= q-point: (-0.31 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -4.156 -6.647 12.624) 14.860 1.806 ( 4.841 -5.441 -16.323) 17.874 2.179 ( -3.929 -5.336 12.433) 14.088 2.280 ( -0.536 -3.184 1.100) 3.411 2.328 ( 0.178 -5.646 -0.345) 5.660 2.335 ( -2.460 -4.249 7.544) 9.001 2.409 ( 1.159 -4.683 -0.931) 4.913 2.800 ( 3.734 -1.357 -15.576) 16.074 3.480 ( -1.179 -0.037 4.500) 4.652 3.507 ( 0.899 0.432 -2.655) 2.836 3.734 ( 0.505 -0.137 -1.555) 1.641 4.003 ( 0.281 -0.450 -0.748) 0.917 4.319 ( -0.329 0.350 0.948) 1.063 5.039 ( 0.084 0.210 -0.905) 0.933 5.231 ( -1.813 0.897 7.131) 7.412 5.550 ( 1.606 1.776 -6.982) 7.381 7.304 ( -0.113 -19.386 0.114) 19.387 7.375 ( -0.301 -20.657 -0.493) 20.665 7.689 ( -0.126 -3.697 0.357) 3.717 7.827 ( 0.223 -3.408 -0.408) 3.439 7.950 ( 0.030 -14.905 0.288) 14.908 8.116 ( -0.122 -15.126 -0.667) 15.142 25.179 ( 0.744 -49.380 6.002) 49.749 25.649 ( -1.266 -45.497 -9.684) 46.534 ======================= Grid point 575 (284/322) ======================= q-point: (-0.23 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -3.354 -2.868 11.381) 12.207 1.893 ( 4.490 -2.712 -15.431) 16.298 2.235 ( -4.373 -1.027 13.251) 13.991 2.318 ( -1.554 -0.570 7.131) 7.321 2.398 ( -0.979 -2.013 3.234) 3.933 2.409 ( 0.316 -2.154 -0.882) 2.349 2.483 ( 0.955 -2.038 -2.669) 3.491 2.819 ( 4.034 -0.723 -15.202) 15.745 3.480 ( -1.142 0.050 4.115) 4.270 3.499 ( 0.666 0.425 -2.326) 2.456 3.733 ( 0.456 0.099 -1.608) 1.675 4.009 ( 0.214 -0.115 -0.753) 0.791 4.316 ( -0.274 -0.065 1.016) 1.054 5.039 ( 0.176 -0.179 -0.687) 0.731 5.219 ( -1.888 0.346 7.050) 7.307 5.523 ( 1.691 0.781 -6.705) 6.959 7.506 ( -0.190 -3.652 0.570) 3.701 7.597 ( -0.092 -4.173 -0.193) 4.178 7.723 ( -0.137 -0.396 0.396) 0.576 7.857 ( 0.182 -0.414 -0.381) 0.591 8.208 ( 0.023 -7.901 -0.183) 7.903 8.365 ( -0.165 -7.616 -0.160) 7.620 25.798 ( -0.489 -13.880 4.605) 14.632 26.198 ( 0.795 -13.254 -8.154) 15.582 ======================= Grid point 576 (285/322) ======================= q-point: (-0.15 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -2.990 1.750 11.471) 11.983 1.901 ( 4.022 1.916 -15.632) 16.254 2.230 ( -3.426 1.231 12.279) 12.807 2.309 ( -1.618 1.621 6.958) 7.325 2.400 ( -1.034 1.921 3.967) 4.527 2.412 ( 0.193 1.847 -0.244) 1.873 2.485 ( 0.530 1.733 -3.119) 3.607 2.829 ( 4.180 -0.248 -14.833) 15.412 3.478 ( -1.102 0.138 4.045) 4.195 3.491 ( 0.675 0.425 -2.371) 2.501 3.732 ( 0.410 0.081 -1.503) 1.560 4.006 ( 0.204 0.410 -0.716) 0.850 4.321 ( -0.318 -0.416 1.033) 1.158 5.045 ( 0.173 -0.419 -0.690) 0.826 5.218 ( -1.969 -0.247 6.993) 7.269 5.519 ( 2.009 -0.358 -6.648) 6.954 7.504 ( -0.133 3.821 0.575) 3.867 7.591 ( 0.230 4.668 -0.172) 4.677 7.721 ( -0.065 0.622 0.378) 0.731 7.861 ( 0.005 0.023 -0.372) 0.373 8.205 ( 0.067 8.155 -0.183) 8.157 8.362 ( 0.281 7.960 -0.113) 7.966 25.782 ( -1.860 15.397 4.100) 16.042 26.213 ( 3.491 11.678 -7.579) 14.353 ======================= Grid point 577 (286/322) ======================= q-point: (-0.08 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -3.417 5.907 12.893) 14.587 1.828 ( 3.831 4.745 -16.692) 17.771 2.171 ( -2.731 5.326 11.249) 12.742 2.260 ( 0.105 3.188 1.007) 3.345 2.327 ( -0.524 5.322 3.143) 6.203 2.341 ( -0.672 5.234 3.856) 6.536 2.422 ( -1.136 3.791 -0.008) 3.958 2.825 ( 4.133 0.744 -14.793) 15.378 3.474 ( -1.305 0.269 4.572) 4.762 3.484 ( 1.181 0.243 -3.027) 3.258 3.729 ( 0.376 0.291 -1.292) 1.377 3.995 ( 0.231 0.616 -0.653) 0.927 4.332 ( -0.450 -0.780 0.991) 1.339 5.059 ( 0.036 -1.211 -0.892) 1.505 5.228 ( -2.010 -0.712 6.978) 7.296 5.538 ( 2.436 -1.320 -6.841) 7.381 7.301 ( -0.145 19.371 -0.144) 19.372 7.370 ( 0.832 20.117 -0.162) 20.135 7.683 ( 0.033 3.861 0.313) 3.874 7.835 ( -0.136 3.362 -0.372) 3.385 7.944 ( -0.111 14.992 0.264) 14.995 8.104 ( 0.762 15.681 -0.604) 15.711 25.142 ( -3.154 50.057 4.450) 50.354 25.697 ( 5.528 43.693 -8.213) 44.800 ======================= Grid point 583 (287/322) ======================= q-point: ( 0.38 0.38 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -6.665 -0.000 19.940) 21.025 0.976 ( -2.380 -0.000 9.033) 9.341 1.345 ( 2.454 0.000 -8.183) 8.543 1.430 ( 3.669 0.000 -23.800) 24.081 1.704 ( -0.240 -0.000 0.163) 0.290 1.871 ( -5.709 -0.000 19.646) 20.459 1.877 ( -1.073 -0.000 -0.035) 1.074 2.091 ( -0.185 -0.000 0.912) 0.930 2.140 ( 0.120 0.000 -1.272) 1.278 2.524 ( 2.885 0.000 -14.286) 14.574 3.419 ( -1.106 -0.000 6.468) 6.562 3.506 ( 1.117 0.000 -0.864) 1.412 3.591 ( 1.902 0.000 -3.018) 3.567 4.204 ( -0.226 -0.000 0.900) 0.928 4.439 ( -1.648 -0.000 2.237) 2.778 5.204 ( -4.858 -0.000 14.866) 15.640 5.291 ( -2.963 -0.000 5.111) 5.908 5.684 ( 4.862 0.000 -13.804) 14.636 6.139 ( -1.259 -0.000 5.415) 5.560 6.344 ( 3.379 0.000 -12.303) 12.758 6.965 ( -4.268 -0.000 11.715) 12.469 7.245 ( 0.068 0.000 -9.092) 9.092 13.246 ( 0.259 0.000 -1.747) 1.766 13.349 ( -0.033 -0.000 -1.323) 1.323 ======================= Grid point 584 (288/322) ======================= q-point: (-0.54 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -6.185 -2.343 19.665) 20.748 1.419 ( 3.808 -0.846 -21.988) 22.331 1.488 ( -2.409 -19.305 5.896) 20.328 1.590 ( 2.444 -16.136 -4.793) 17.009 1.755 ( -0.060 -4.732 -0.449) 4.754 1.911 ( -1.767 -4.063 2.452) 5.064 1.943 ( -4.103 -6.197 15.909) 17.560 2.551 ( 2.950 -4.016 -14.318) 15.161 2.725 ( 0.027 -60.698 -0.567) 60.701 2.784 ( -0.284 -62.397 -0.023) 62.398 3.450 ( -1.270 -1.675 6.500) 6.832 3.538 ( 1.221 -3.045 -1.872) 3.777 3.577 ( 1.534 1.415 -2.942) 3.608 4.137 ( -0.094 5.237 0.564) 5.268 4.426 ( -1.249 0.669 2.364) 2.756 5.196 ( -3.409 1.103 3.491) 5.002 5.279 ( -2.997 0.029 13.354) 13.686 5.691 ( 4.005 0.075 -12.501) 13.127 6.306 ( -1.519 -16.432 6.675) 17.800 6.509 ( 2.905 -15.922 -11.578) 19.900 7.019 ( -3.161 -6.605 10.769) 13.022 7.275 ( 0.629 -4.379 -8.472) 9.558 14.813 ( -0.306 -136.182 2.801) 136.211 14.983 ( 1.058 -154.079 -8.304) 154.306 ======================= Grid point 585 (289/322) ======================= q-point: (-0.46 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -5.596 -5.651 18.591) 20.220 1.457 ( 4.292 -4.016 -20.335) 21.167 1.692 ( -0.835 -7.753 2.435) 8.169 1.854 ( -0.432 -9.628 0.070) 9.638 1.877 ( 0.278 -7.530 -0.206) 7.538 2.007 ( -0.704 -5.660 -0.082) 5.704 2.086 ( -3.757 -7.155 15.893) 17.830 2.627 ( 3.154 -4.262 -14.923) 15.837 3.471 ( -1.050 -0.424 5.305) 5.424 3.549 ( 1.375 1.237 -3.120) 3.627 3.623 ( 0.694 -4.124 -1.610) 4.481 4.036 ( -0.363 -2.403 0.812) 2.562 4.140 ( -0.753 -55.202 1.457) 55.226 4.199 ( 0.657 -73.552 -0.946) 73.561 4.452 ( -0.572 -13.654 1.229) 13.721 5.142 ( -1.385 2.619 -1.031) 3.137 5.286 ( -2.795 0.153 12.550) 12.859 5.677 ( 2.801 1.443 -10.136) 10.615 6.745 ( -1.555 -25.278 6.182) 26.070 6.918 ( 2.096 -23.441 -8.233) 24.933 7.222 ( -2.110 -12.755 8.583) 15.518 7.400 ( 1.144 -8.471 -7.174) 11.160 18.057 ( 0.106 -174.155 6.880) 174.291 18.535 ( 1.728 -185.927 -14.518) 186.501 ======================= Grid point 586 (290/322) ======================= q-point: (-0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -5.044 -8.069 16.635) 19.165 1.559 ( 4.912 -6.208 -18.878) 20.470 1.855 ( -1.145 -8.818 4.047) 9.770 2.019 ( -0.429 -8.182 0.164) 8.194 2.043 ( -1.009 -8.496 2.181) 8.829 2.118 ( -0.361 -5.677 -0.654) 5.726 2.218 ( -2.629 -5.623 13.335) 14.709 2.702 ( 3.415 -3.619 -15.393) 16.177 3.477 ( -1.083 -0.121 4.724) 4.848 3.530 ( 1.055 0.822 -3.034) 3.316 3.691 ( 0.570 -2.461 -1.571) 2.975 4.003 ( 0.208 1.036 -0.375) 1.121 4.347 ( -0.492 0.684 1.616) 1.822 5.085 ( -0.237 2.060 -1.275) 2.434 5.275 ( -2.255 0.947 9.325) 9.640 5.584 ( -0.875 -61.768 0.157) 61.774 5.612 ( 0.386 -63.541 -0.338) 63.543 5.639 ( 1.941 1.146 -8.276) 8.578 7.222 ( -0.932 -20.989 3.018) 21.225 7.370 ( 1.097 -20.433 -3.714) 20.796 7.481 ( -1.140 -12.054 5.203) 13.179 7.596 ( 1.020 -11.368 -4.684) 12.337 21.325 ( 0.936 -146.296 7.775) 146.506 21.901 ( 0.281 -147.740 -13.848) 148.388 ======================= Grid point 587 (291/322) ======================= q-point: (-0.31 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -4.503 -8.473 14.569) 17.445 1.688 ( 5.228 -6.468 -17.448) 19.329 2.033 ( -2.136 -8.656 7.002) 11.336 2.175 ( -1.073 -7.176 1.795) 7.474 2.200 ( -1.426 -7.197 3.939) 8.327 2.226 ( -0.311 -5.630 -0.787) 5.694 2.324 ( -0.831 -4.584 8.062) 9.312 2.760 ( 3.737 -2.492 -15.564) 16.199 3.479 ( -1.165 -0.058 4.364) 4.517 3.517 ( 0.797 0.556 -2.778) 2.943 3.724 ( 0.501 -0.955 -1.583) 1.915 3.996 ( 0.240 -0.150 -0.734) 0.787 4.330 ( -0.242 0.789 1.136) 1.404 5.051 ( 0.233 1.098 -0.988) 1.495 5.254 ( -1.927 1.203 7.627) 7.958 5.589 ( 1.429 2.292 -7.309) 7.793 6.657 ( -1.062 -44.733 -0.085) 44.746 6.713 ( 0.248 -45.277 -0.208) 45.278 7.545 ( -0.394 -11.412 0.894) 11.454 7.688 ( 0.501 -10.920 -0.912) 10.969 7.701 ( -0.258 -10.995 1.203) 11.064 7.837 ( 0.230 -12.742 -1.474) 12.829 23.762 ( 0.779 -96.135 6.156) 96.335 24.276 ( -1.142 -92.750 -9.487) 93.241 ======================= Grid point 588 (292/322) ======================= q-point: (-0.23 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -3.870 -6.718 12.797) 14.962 1.811 ( 5.100 -5.396 -16.205) 17.825 2.174 ( -3.994 -5.142 12.627) 14.207 2.276 ( -0.924 -3.548 1.409) 3.928 2.329 ( -1.697 -5.164 5.059) 7.426 2.331 ( -0.370 -5.036 0.771) 5.108 2.419 ( 1.081 -4.245 0.480) 4.407 2.797 ( 4.021 -1.453 -15.409) 15.991 3.480 ( -1.167 -0.026 4.018) 4.184 3.508 ( 0.588 0.434 -2.390) 2.499 3.734 ( 0.457 -0.123 -1.636) 1.703 4.003 ( 0.197 -0.442 -0.826) 0.958 4.319 ( -0.168 0.363 1.022) 1.097 5.039 ( 0.301 0.203 -0.744) 0.828 5.233 ( -1.840 0.927 7.086) 7.380 5.546 ( 1.372 1.669 -6.776) 7.112 7.300 ( -0.739 -19.757 0.162) 19.771 7.372 ( -0.070 -20.538 -0.039) 20.538 7.689 ( -0.226 -3.725 0.376) 3.751 7.829 ( 0.388 -3.373 -0.506) 3.432 7.950 ( -0.056 -14.860 0.186) 14.861 8.112 ( -0.305 -15.066 -0.378) 15.074 25.197 ( -0.014 -49.018 4.265) 49.203 25.616 ( -0.871 -46.052 -6.496) 46.516 ======================= Grid point 589 (293/322) ======================= q-point: (-0.15 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -3.225 -3.017 11.453) 12.275 1.896 ( 4.576 -2.462 -15.434) 16.285 2.231 ( -3.848 -1.156 13.502) 14.087 2.316 ( -2.600 -0.857 6.618) 7.162 2.398 ( -0.874 -2.089 3.031) 3.783 2.410 ( 0.353 -2.135 -0.810) 2.310 2.487 ( 1.164 -1.673 -2.093) 2.922 2.818 ( 4.163 -0.808 -15.102) 15.686 3.480 ( -1.107 0.028 3.858) 4.014 3.499 ( 0.526 0.406 -2.155) 2.255 3.733 ( 0.435 0.102 -1.629) 1.689 4.009 ( 0.185 -0.125 -0.776) 0.808 4.316 ( -0.223 -0.030 1.044) 1.068 5.040 ( 0.229 -0.157 -0.642) 0.700 5.220 ( -1.896 0.388 7.034) 7.295 5.521 ( 1.630 0.611 -6.623) 6.848 7.505 ( -0.234 -3.738 0.576) 3.790 7.596 ( -0.177 -4.328 -0.089) 4.333 7.723 ( -0.163 -0.438 0.403) 0.617 7.858 ( 0.241 -0.318 -0.422) 0.580 8.207 ( -0.035 -7.951 -0.195) 7.953 8.363 ( -0.213 -7.783 0.036) 7.786 25.804 ( -0.668 -13.390 3.970) 13.982 26.185 ( 0.844 -14.359 -6.908) 15.957 ======================= Grid point 590 (294/322) ======================= q-point: (-0.08 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -3.129 1.684 11.399) 11.940 1.898 ( 3.968 2.218 -15.623) 16.271 2.233 ( -2.941 1.042 13.095) 13.462 2.307 ( -2.152 1.340 5.605) 6.151 2.401 ( -1.061 1.805 3.940) 4.462 2.413 ( 0.007 1.835 0.089) 1.837 2.483 ( 0.884 2.163 -3.100) 3.882 2.829 ( 4.087 -0.263 -14.897) 15.450 3.478 ( -1.176 0.128 4.336) 4.495 3.491 ( 0.836 0.333 -2.576) 2.729 3.732 ( 0.425 0.072 -1.495) 1.555 4.007 ( 0.233 0.387 -0.694) 0.828 4.320 ( -0.359 -0.357 1.009) 1.129 5.044 ( 0.123 -0.365 -0.732) 0.827 5.218 ( -1.955 -0.212 7.011) 7.281 5.520 ( 2.048 -0.546 -6.727) 7.053 7.504 ( -0.122 3.814 0.554) 3.856 7.593 ( 0.297 4.453 -0.262) 4.470 7.721 ( -0.045 0.580 0.370) 0.690 7.860 ( -0.036 0.125 -0.332) 0.357 8.205 ( 0.073 8.182 -0.200) 8.185 8.365 ( 0.342 7.668 -0.277) 7.681 25.776 ( -1.730 16.074 4.474) 16.774 26.226 ( 3.412 10.430 -8.528) 13.898 ======================= Grid point 597 (295/322) ======================= q-point: (-0.54 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -5.952 -0.000 20.295) 21.150 0.973 ( -3.191 -0.000 9.513) 10.034 1.348 ( 2.748 0.000 -8.434) 8.871 1.405 ( 4.167 0.000 -23.263) 23.633 1.702 ( -0.335 -0.000 0.337) 0.475 1.869 ( -5.417 -0.000 19.838) 20.564 1.870 ( -0.357 -0.000 -0.088) 0.368 2.093 ( -0.084 -0.000 0.996) 1.000 2.137 ( -0.132 -0.000 -1.157) 1.165 2.515 ( 3.113 0.000 -14.215) 14.552 3.425 ( -1.437 -0.000 6.441) 6.599 3.514 ( 0.996 0.000 -1.255) 1.602 3.599 ( 1.332 0.000 -3.078) 3.354 4.206 ( 0.185 0.000 0.554) 0.584 4.433 ( -0.922 -0.000 2.314) 2.491 5.194 ( -3.241 -0.000 8.937) 9.506 5.283 ( -3.357 -0.000 11.308) 11.796 5.690 ( 3.959 0.000 -13.733) 14.292 6.142 ( -1.263 -0.000 5.691) 5.830 6.340 ( 2.564 0.000 -12.198) 12.465 6.963 ( -2.363 -0.000 11.442) 11.683 7.224 ( 0.673 0.000 -8.990) 9.015 13.244 ( 0.274 0.000 -1.658) 1.681 13.345 ( 0.086 0.000 -1.230) 1.233 ======================= Grid point 598 (296/322) ======================= q-point: (-0.46 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -5.479 -2.329 20.283) 21.139 1.400 ( 4.492 -1.057 -21.687) 22.172 1.478 ( -2.805 -19.378 6.026) 20.487 1.601 ( 2.311 -15.952 -4.710) 16.792 1.753 ( -0.029 -4.816 -0.336) 4.828 1.904 ( -1.181 -3.985 3.188) 5.238 1.946 ( -3.824 -6.318 15.467) 17.140 2.543 ( 3.235 -3.948 -14.143) 15.036 2.723 ( -0.090 -60.652 -0.399) 60.653 2.782 ( -0.074 -62.564 0.027) 62.564 3.454 ( -1.500 -1.730 6.333) 6.734 3.543 ( 0.946 -3.007 -2.171) 3.828 3.581 ( 0.938 1.517 -3.048) 3.532 4.139 ( 0.233 5.318 0.324) 5.333 4.424 ( -0.478 0.646 2.299) 2.435 5.180 ( -1.195 1.522 2.232) 2.954 5.284 ( -3.845 -0.363 15.067) 15.554 5.692 ( 3.105 0.119 -12.473) 12.855 6.309 ( -1.590 -16.412 6.882) 17.867 6.503 ( 2.213 -16.095 -11.287) 19.782 7.024 ( -1.825 -6.419 10.442) 12.393 7.262 ( 1.256 -4.672 -8.249) 9.563 14.819 ( 0.153 -136.678 2.708) 136.705 14.975 ( 2.147 -153.749 -8.720) 154.011 ======================= Grid point 599 (297/322) ======================= q-point: (-0.38 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.021 -5.495 19.176) 20.570 1.449 ( 5.067 -4.324 -19.992) 21.072 1.689 ( -1.146 -7.985 2.743) 8.520 1.851 ( -0.345 -9.239 0.355) 9.252 1.878 ( 0.089 -7.560 -0.333) 7.568 2.002 ( -0.345 -5.598 0.463) 5.628 2.093 ( -3.631 -7.309 15.662) 17.661 2.619 ( 3.507 -4.213 -14.653) 15.644 3.474 ( -1.195 -0.399 4.957) 5.115 3.551 ( 0.745 1.242 -3.121) 3.441 3.625 ( 0.507 -4.132 -1.859) 4.560 4.034 ( -0.479 -4.331 1.047) 4.482 4.137 ( -0.532 -53.697 1.362) 53.717 4.204 ( 0.790 -73.239 -1.113) 73.251 4.453 ( -0.031 -13.361 1.195) 13.414 5.135 ( 0.258 2.568 -0.355) 2.605 5.290 ( -3.274 0.195 12.435) 12.860 5.674 ( 2.049 1.463 -10.031) 10.342 6.746 ( -1.665 -25.144 6.222) 25.956 6.915 ( 1.675 -23.718 -7.979) 25.080 7.227 ( -1.524 -12.600 8.499) 15.274 7.394 ( 1.576 -8.642 -7.070) 11.276 18.078 ( 0.629 -174.756 5.983) 174.859 18.522 ( 3.642 -184.936 -14.682) 185.554 ======================= Grid point 600 (298/322) ======================= q-point: (-0.31 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -4.558 -7.868 17.065) 19.337 1.559 ( 5.519 -6.430 -18.556) 20.399 1.853 ( -1.409 -8.854 4.197) 9.899 2.016 ( -0.314 -8.138 0.891) 8.193 2.039 ( -1.067 -8.337 1.922) 8.622 2.114 ( -0.208 -5.644 -0.260) 5.654 2.228 ( -2.665 -5.804 13.146) 14.615 2.696 ( 3.831 -3.614 -15.063) 15.958 3.478 ( -1.173 -0.084 4.203) 4.364 3.530 ( 0.519 0.782 -2.905) 3.052 3.691 ( 0.443 -2.479 -1.748) 3.065 4.003 ( 0.146 1.050 -0.476) 1.162 4.349 ( -0.077 0.743 1.669) 1.828 5.084 ( 0.752 2.069 -0.701) 2.310 5.277 ( -2.492 0.948 9.199) 9.578 5.572 ( -1.483 -61.281 0.495) 61.301 5.618 ( 0.870 -61.215 -0.500) 61.223 5.633 ( 1.391 -1.398 -7.822) 8.067 7.221 ( -1.041 -20.946 3.044) 21.191 7.370 ( 0.949 -20.607 -3.685) 20.956 7.484 ( -1.002 -11.870 5.141) 12.974 7.594 ( 1.147 -11.444 -4.652) 12.407 21.352 ( 0.717 -146.295 5.750) 146.410 21.877 ( 1.946 -146.801 -11.809) 147.288 ======================= Grid point 601 (299/322) ======================= q-point: (-0.23 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -4.056 -8.344 14.878) 17.533 1.694 ( 5.576 -6.533 -17.234) 19.255 2.030 ( -2.355 -8.572 7.204) 11.442 2.171 ( -0.928 -6.923 2.399) 7.385 2.196 ( -1.485 -7.581 3.851) 8.631 2.221 ( -0.170 -5.397 -0.862) 5.468 2.337 ( -1.042 -4.738 8.093) 9.436 2.757 ( 4.152 -2.516 -15.224) 15.979 3.479 ( -1.169 -0.047 3.719) 3.899 3.516 ( 0.347 0.505 -2.480) 2.555 3.724 ( 0.407 -0.963 -1.693) 1.989 3.996 ( 0.137 -0.141 -0.835) 0.857 4.332 ( 0.017 0.855 1.227) 1.495 5.053 ( 0.742 1.213 -0.648) 1.562 5.255 ( -2.030 1.186 7.530) 7.889 5.582 ( 1.107 2.198 -7.036) 7.453 6.642 ( -1.838 -44.809 0.198) 44.847 6.720 ( 0.803 -45.112 0.278) 45.120 7.543 ( -0.497 -11.444 0.930) 11.493 7.691 ( 0.604 -11.015 -1.109) 11.087 7.702 ( -0.319 -10.895 1.198) 10.966 7.834 ( 0.062 -12.645 -1.442) 12.727 23.777 ( -0.207 -95.799 3.281) 95.855 24.251 ( 0.197 -92.429 -5.378) 92.586 ======================= Grid point 602 (300/322) ======================= q-point: (-0.15 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -3.504 -6.696 12.993) 15.031 1.818 ( 5.228 -5.280 -16.134) 17.763 2.169 ( -3.804 -5.199 12.805) 14.334 2.269 ( -1.374 -3.332 1.532) 3.916 2.323 ( -2.098 -5.109 5.924) 8.099 2.332 ( 0.476 -5.465 -0.940) 5.565 2.431 ( 0.685 -4.034 1.435) 4.336 2.796 ( 4.328 -1.464 -15.129) 15.804 3.479 ( -1.098 -0.052 3.427) 3.599 3.506 ( 0.258 0.370 -2.036) 2.086 3.734 ( 0.396 -0.132 -1.679) 1.730 4.002 ( 0.123 -0.461 -0.887) 1.007 4.321 ( -0.035 0.432 1.093) 1.176 5.041 ( 0.497 0.322 -0.594) 0.839 5.233 ( -1.885 0.930 7.024) 7.332 5.541 ( 1.243 1.513 -6.561) 6.847 7.292 ( -0.976 -20.479 0.325) 20.504 7.373 ( -0.008 -20.012 0.306) 20.015 7.687 ( -0.283 -3.772 0.385) 3.802 7.831 ( 0.480 -3.325 -0.592) 3.411 7.950 ( -0.126 -14.787 0.086) 14.787 8.108 ( -0.419 -15.127 -0.110) 15.133 25.202 ( -0.756 -49.098 1.988) 49.144 25.599 ( -0.117 -46.013 -2.866) 46.103 ======================= Grid point 603 (301/322) ======================= q-point: (-0.08 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -3.081 -3.014 11.519) 12.299 1.899 ( 4.584 -2.165 -15.449) 16.259 2.233 ( -3.404 -1.411 14.361) 14.826 2.304 ( -2.989 -1.015 5.258) 6.133 2.398 ( -0.762 -2.125 2.945) 3.710 2.411 ( 0.296 -2.094 -0.744) 2.242 2.493 ( 0.993 -1.422 -1.443) 2.256 2.819 ( 4.266 -0.763 -14.985) 15.599 3.479 ( -1.055 -0.021 3.608) 3.759 3.498 ( 0.400 0.307 -1.987) 2.050 3.733 ( 0.415 0.082 -1.633) 1.687 4.009 ( 0.162 -0.168 -0.793) 0.826 4.317 ( -0.188 0.055 1.067) 1.085 5.040 ( 0.271 -0.071 -0.605) 0.667 5.220 ( -1.913 0.411 7.013) 7.281 5.519 ( 1.613 0.421 -6.549) 6.758 7.504 ( -0.246 -3.861 0.587) 3.913 7.594 ( -0.214 -4.495 -0.001) 4.500 7.722 ( -0.176 -0.500 0.406) 0.668 7.860 ( 0.266 -0.193 -0.455) 0.561 8.206 ( -0.053 -8.058 -0.195) 8.060 8.361 ( -0.224 -7.915 0.192) 7.921 25.806 ( -0.876 -13.351 3.347) 13.792 26.178 ( 1.091 -14.903 -5.771) 16.019 ======================= Grid point 611 (302/322) ======================= q-point: (-0.46 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -5.180 -0.000 21.214) 21.837 0.965 ( -3.883 -0.000 10.052) 10.776 1.353 ( 2.916 0.000 -8.621) 9.101 1.388 ( 5.195 0.000 -22.686) 23.273 1.700 ( -0.417 -0.000 0.567) 0.704 1.870 ( 0.476 0.000 -0.112) 0.489 1.871 ( -5.224 -0.000 19.959) 20.631 2.095 ( -0.009 -0.000 0.968) 0.968 2.132 ( -0.327 -0.000 -0.860) 0.920 2.509 ( 3.512 0.000 -13.929) 14.365 3.426 ( -1.873 -0.000 6.306) 6.578 3.519 ( 0.755 0.000 -1.712) 1.871 3.600 ( 0.653 0.000 -3.184) 3.250 4.211 ( 0.659 0.000 0.102) 0.667 4.434 ( -0.020 -0.000 2.152) 2.152 5.195 ( -0.765 -0.000 6.950) 6.992 5.281 ( -4.161 -0.000 13.873) 14.484 5.687 ( 2.985 0.000 -13.867) 14.185 6.145 ( -1.322 -0.000 5.922) 6.068 6.330 ( 1.896 0.000 -11.624) 11.778 6.979 ( -0.690 -0.000 10.787) 10.809 7.211 ( 1.559 0.000 -8.670) 8.809 13.243 ( 0.311 0.000 -1.523) 1.555 13.344 ( 0.256 0.000 -1.091) 1.121 ======================= Grid point 612 (303/322) ======================= q-point: (-0.38 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -4.864 -2.235 21.223) 21.888 1.392 ( 5.481 -1.339 -20.991) 21.736 1.466 ( -2.938 -19.506 6.079) 20.641 1.610 ( 1.999 -15.548 -4.815) 16.399 1.752 ( 0.013 -4.934 -0.257) 4.941 1.905 ( -0.374 -3.819 3.467) 5.171 1.950 ( -3.822 -6.383 15.397) 17.100 2.539 ( 3.645 -3.925 -13.740) 14.747 2.721 ( -0.161 -60.638 -0.240) 60.639 2.783 ( 0.147 -62.695 0.098) 62.695 3.455 ( -1.790 -1.876 6.117) 6.644 3.545 ( 0.610 -2.935 -2.540) 3.929 3.579 ( 0.297 1.552 -3.161) 3.533 4.143 ( 0.581 5.470 0.009) 5.501 4.429 ( 0.296 0.694 2.069) 2.202 5.186 ( 1.187 1.878 2.417) 3.283 5.284 ( -4.687 -0.555 15.564) 16.264 5.684 ( 2.220 0.079 -12.560) 12.755 6.312 ( -1.705 -16.349 7.019) 17.874 6.493 ( 1.726 -16.306 -10.749) 19.606 7.039 ( -0.773 -5.953 10.057) 11.713 7.256 ( 2.028 -4.817 -7.912) 9.482 14.830 ( 0.408 -137.243 2.546) 137.267 14.979 ( 3.559 -154.080 -9.674) 154.424 ======================= Grid point 613 (304/322) ======================= q-point: (-0.31 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.531 -5.275 19.820) 21.004 1.449 ( 5.906 -4.504 -19.495) 20.862 1.684 ( -1.369 -8.203 3.066) 8.864 1.849 ( -0.332 -9.234 0.656) 9.264 1.877 ( 0.125 -7.332 -0.599) 7.357 2.002 ( 0.101 -5.359 0.549) 5.387 2.099 ( -3.763 -7.455 15.826) 17.894 2.617 ( 3.956 -4.160 -14.191) 15.308 3.474 ( -1.318 -0.386 4.489) 4.695 3.547 ( 0.092 1.169 -3.044) 3.262 3.623 ( 0.304 -4.193 -2.098) 4.699 4.032 ( -0.536 -6.606 1.318) 6.758 4.137 ( -0.291 -52.061 1.245) 52.077 4.209 ( 0.859 -72.785 -1.317) 72.802 4.458 ( 0.454 -12.733 1.071) 12.786 5.145 ( 1.862 2.857 0.366) 3.430 5.289 ( -3.745 0.099 12.345) 12.901 5.663 ( 1.403 1.375 -9.933) 10.126 6.746 ( -1.778 -25.016 6.233) 25.842 6.908 ( 1.390 -24.044 -7.703) 25.286 7.237 ( -1.146 -12.226 8.484) 14.925 7.393 ( 2.066 -8.634 -6.922) 11.257 18.100 ( 0.771 -175.110 4.697) 175.174 18.528 ( 5.845 -184.151 -15.281) 184.876 ======================= Grid point 614 (305/322) ======================= q-point: (-0.23 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -4.093 -7.639 17.478) 19.508 1.566 ( 6.009 -6.513 -18.189) 20.233 1.850 ( -1.546 -8.880 4.311) 9.991 2.017 ( -0.252 -8.081 1.750) 8.272 2.033 ( -0.914 -8.249 1.284) 8.398 2.112 ( -0.105 -5.520 -0.107) 5.522 2.236 ( -2.837 -5.946 13.246) 14.794 2.696 ( 4.287 -3.594 -14.583) 15.619 3.477 ( -1.187 -0.063 3.524) 3.719 3.525 ( -0.022 0.678 -2.647) 2.732 3.690 ( 0.303 -2.530 -1.859) 3.154 4.003 ( 0.109 1.113 -0.551) 1.247 4.354 ( 0.226 0.845 1.709) 1.920 5.095 ( 1.594 2.327 -0.171) 2.825 5.276 ( -2.701 0.866 9.076) 9.509 5.560 ( -1.231 -60.657 0.767) 60.674 5.620 ( 0.840 -13.244 -6.075) 14.595 5.629 ( 0.884 -49.731 -1.907) 49.775 7.219 ( -1.095 -20.902 3.048) 21.152 7.368 ( 0.822 -20.843 -3.662) 21.179 7.488 ( -0.971 -11.605 5.113) 12.719 7.593 ( 1.303 -11.323 -4.599) 12.291 21.369 ( 0.369 -145.842 3.164) 145.877 21.876 ( 3.668 -145.975 -9.678) 146.342 ======================= Grid point 615 (306/322) ======================= q-point: (-0.15 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -3.600 -8.179 15.165) 17.602 1.704 ( 5.753 -6.488 -17.068) 19.144 2.026 ( -2.344 -8.548 7.263) 11.459 2.169 ( -0.700 -6.606 2.542) 7.113 2.191 ( -1.746 -7.656 4.081) 8.850 2.218 ( 0.090 -5.444 -1.023) 5.540 2.347 ( -1.346 -4.852 8.248) 9.664 2.759 ( 4.538 -2.492 -14.796) 15.676 3.477 ( -1.081 -0.062 2.962) 3.154 3.511 ( -0.093 0.396 -2.066) 2.106 3.723 ( 0.310 -0.994 -1.729) 2.018 3.994 ( 0.072 -0.126 -0.894) 0.906 4.337 ( 0.183 0.961 1.297) 1.624 5.061 ( 1.123 1.516 -0.373) 1.924 5.255 ( -2.125 1.125 7.429) 7.809 5.573 ( 0.971 2.046 -6.781) 7.150 6.626 ( -1.463 -44.750 0.719) 44.780 6.728 ( 0.535 -45.038 0.440) 45.043 7.541 ( -0.521 -11.471 0.943) 11.522 7.693 ( 0.606 -11.273 -1.305) 11.365 7.701 ( -0.382 -10.662 1.259) 10.743 7.831 ( -0.024 -12.485 -1.428) 12.567 23.778 ( -0.615 -95.347 0.648) 95.351 24.249 ( 1.192 -91.999 -1.885) 92.026 ======================= Grid point 616 (307/322) ======================= q-point: (-0.08 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -3.143 -6.581 13.165) 15.051 1.826 ( 5.202 -5.114 -16.132) 17.705 2.168 ( -3.552 -5.457 12.948) 14.493 2.258 ( -1.514 -2.864 1.556) 3.594 2.321 ( -1.653 -5.446 5.468) 7.892 2.334 ( 0.392 -5.425 -0.954) 5.522 2.440 ( 0.168 -3.928 1.956) 4.391 2.800 ( 4.564 -1.384 -14.827) 15.575 3.477 ( -0.967 -0.105 2.821) 2.984 3.502 ( -0.038 0.247 -1.640) 1.659 3.733 ( 0.341 -0.163 -1.668) 1.710 4.001 ( 0.077 -0.496 -0.915) 1.044 4.324 ( 0.035 0.537 1.143) 1.263 5.045 ( 0.625 0.538 -0.490) 0.959 5.234 ( -1.938 0.909 6.963) 7.285 5.535 ( 1.251 1.342 -6.389) 6.648 7.285 ( -0.689 -21.009 0.628) 21.029 7.373 ( -0.177 -19.558 0.415) 19.563 7.685 ( -0.285 -3.821 0.385) 3.851 7.835 ( 0.475 -3.286 -0.650) 3.384 7.949 ( -0.155 -14.729 0.019) 14.729 8.103 ( -0.457 -15.264 0.066) 15.271 25.196 ( -0.872 -49.359 0.521) 49.369 25.596 ( 0.379 -45.631 -0.458) 45.635 ======================= Grid point 625 (308/322) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -4.273 -0.000 10.539) 11.372 0.959 ( -4.726 -0.000 22.395) 22.888 1.358 ( 2.892 0.000 -8.707) 9.174 1.385 ( 6.598 0.000 -22.204) 23.163 1.697 ( -0.408 -0.000 0.800) 0.898 1.874 ( -5.124 -0.000 20.027) 20.672 1.878 ( 1.203 0.000 -0.120) 1.209 2.097 ( 0.043 0.000 0.777) 0.778 2.126 ( -0.463 -0.000 -0.375) 0.596 2.509 ( 3.976 0.000 -13.506) 14.079 3.422 ( -2.275 -0.000 6.125) 6.534 3.519 ( 0.450 0.000 -2.130) 2.177 3.595 ( 0.015 0.000 -3.303) 3.303 4.219 ( 1.058 0.000 -0.453) 1.150 4.443 ( 0.757 0.000 1.776) 1.931 5.218 ( 1.031 0.000 8.245) 8.309 5.276 ( -4.353 -0.000 13.240) 13.937 5.674 ( 2.099 0.000 -14.178) 14.333 6.148 ( -1.425 -0.000 6.055) 6.221 6.316 ( 1.501 0.000 -10.824) 10.928 7.007 ( 0.578 0.000 10.048) 10.065 7.208 ( 2.530 0.000 -8.204) 8.585 13.242 ( 0.370 0.000 -1.370) 1.419 13.345 ( 0.431 0.000 -0.940) 1.034 ======================= Grid point 626 (309/322) ======================= q-point: (-0.31 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -4.598 -2.108 22.154) 22.724 1.395 ( 6.475 -1.663 -19.914) 21.006 1.454 ( -2.711 -19.519 5.890) 20.568 1.614 ( 1.523 -15.090 -5.030) 15.979 1.753 ( 0.205 -5.065 -0.219) 5.074 1.915 ( 0.341 -3.583 3.334) 4.906 1.954 ( -3.980 -6.386 15.632) 17.349 2.540 ( 4.052 -3.968 -13.206) 14.372 2.719 ( -0.125 -60.655 -0.129) 60.655 2.785 ( 0.303 -62.754 0.172) 62.755 3.452 ( -2.030 -2.099 5.910) 6.592 3.542 ( 0.306 -2.837 -2.872) 4.049 3.570 ( -0.248 1.522 -3.249) 3.597 4.150 ( 0.814 5.665 -0.370) 5.735 4.440 ( 0.840 0.794 1.723) 2.075 5.215 ( 3.158 2.376 2.920) 4.914 5.276 ( -5.421 -0.764 15.716) 16.642 5.668 ( 1.521 -0.066 -12.725) 12.816 6.314 ( -1.847 -16.259 7.052) 17.819 6.480 ( 1.496 -16.502 -10.158) 19.435 7.062 ( -0.086 -5.283 9.811) 11.143 7.259 ( 2.795 -4.797 -7.532) 9.357 14.841 ( 0.439 -137.783 2.362) 137.804 14.993 ( 4.936 -155.006 -11.100) 155.481 ======================= Grid point 627 (310/322) ======================= q-point: (-0.23 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -4.273 -5.073 20.325) 21.380 1.459 ( 6.603 -4.497 -18.929) 20.546 1.679 ( -1.384 -8.362 3.375) 9.123 1.846 ( -0.706 -9.417 0.642) 9.465 1.879 ( 0.587 -7.079 -0.765) 7.144 2.006 ( 0.359 -4.980 0.336) 5.004 2.105 ( -3.876 -7.584 16.222) 18.322 2.620 ( 4.357 -4.118 -13.661) 14.919 3.472 ( -1.369 -0.387 3.975) 4.222 3.537 ( -0.437 1.044 -2.907) 3.119 3.620 ( 0.144 -4.296 -2.224) 4.840 4.031 ( -0.473 -8.530 1.553) 8.683 4.138 ( -0.093 -50.766 1.170) 50.780 4.213 ( 0.864 -72.351 -1.509) 72.372 4.467 ( 0.751 -11.976 0.877) 12.032 5.171 ( 2.957 3.416 0.868) 4.601 5.283 ( -4.063 -0.109 12.350) 13.002 5.648 ( 1.019 1.179 -9.851) 9.973 6.745 ( -1.874 -24.924 6.207) 25.754 6.901 ( 1.253 -24.349 -7.485) 25.504 7.250 ( -0.993 -11.686 8.567) 14.524 7.397 ( 2.524 -8.459 -6.751) 11.113 18.118 ( 0.584 -175.197 3.529) 175.234 18.552 ( 7.675 -183.673 -16.529) 184.574 ======================= Grid point 628 (311/322) ======================= q-point: (-0.15 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -3.772 -7.447 17.769) 19.632 1.578 ( 6.286 -6.439 -17.857) 19.996 1.847 ( -1.494 -8.893 4.397) 10.033 2.019 ( -0.888 -8.391 2.959) 8.942 2.029 ( -0.102 -7.845 0.065) 7.846 2.111 ( -0.086 -5.356 -0.201) 5.360 2.244 ( -2.958 -6.023 13.520) 15.093 2.701 ( 4.641 -3.566 -14.094) 15.261 3.474 ( -1.097 -0.059 2.801) 3.009 3.516 ( -0.469 0.532 -2.305) 2.412 3.688 ( 0.199 -2.599 -1.856) 3.200 4.003 ( 0.112 1.213 -0.581) 1.350 4.362 ( 0.340 0.959 1.728) 2.005 5.113 ( 2.052 2.729 0.179) 3.419 5.273 ( -2.816 0.744 8.991) 9.451 5.553 ( -0.555 -60.272 1.064) 60.284 5.609 ( 0.811 -1.022 -7.443) 7.557 5.633 ( 0.468 -62.132 -0.352) 62.135 7.216 ( -1.084 -20.876 3.032) 21.123 7.366 ( 0.726 -21.100 -3.653) 21.426 7.492 ( -1.029 -11.298 5.129) 12.450 7.594 ( 1.453 -11.028 -4.536) 12.012 21.378 ( 0.149 -145.226 1.357) 145.232 21.894 ( 4.812 -145.267 -8.731) 145.609 ======================= Grid point 629 (312/322) ======================= q-point: (-0.08 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -3.253 -8.022 15.362) 17.633 1.714 ( 5.729 -6.345 -16.993) 19.022 2.023 ( -2.170 -8.570 7.212) 11.409 2.170 ( -0.553 -6.070 2.300) 6.515 2.185 ( -1.807 -7.780 4.545) 9.190 2.217 ( 0.247 -5.680 -1.358) 5.846 2.355 ( -1.669 -4.852 8.538) 9.961 2.766 ( 4.790 -2.426 -14.416) 15.383 3.474 ( -0.898 -0.096 2.221) 2.397 3.503 ( -0.446 0.246 -1.599) 1.678 3.721 ( 0.242 -1.037 -1.675) 1.985 3.993 ( 0.052 -0.098 -0.900) 0.907 4.342 ( 0.219 1.076 1.330) 1.725 5.073 ( 1.283 1.925 -0.226) 2.324 5.253 ( -2.193 1.047 7.352) 7.743 5.565 ( 1.063 1.871 -6.610) 6.952 6.619 ( -0.530 -44.655 1.283) 44.677 6.732 ( 0.006 -44.967 0.324) 44.969 7.538 ( -0.473 -11.491 0.934) 11.538 7.695 ( 0.487 -11.600 -1.407) 11.695 7.701 ( -0.403 -10.377 1.319) 10.468 7.827 ( -0.004 -12.295 -1.434) 12.378 23.772 ( -0.392 -94.967 -0.333) 94.969 24.260 ( 1.638 -91.486 -0.616) 91.502 ======================= Grid point 639 (313/322) ======================= q-point: (-0.31 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -4.283 -0.000 10.890) 11.702 0.974 ( -4.782 -0.000 23.384) 23.868 1.362 ( 2.696 0.000 -8.690) 9.099 1.398 ( 8.014 0.000 -21.825) 23.250 1.696 ( -0.292 -0.000 0.985) 1.027 1.878 ( -5.056 -0.000 20.090) 20.716 1.892 ( 1.646 0.000 -0.139) 1.652 2.100 ( 0.096 0.000 0.424) 0.435 2.121 ( -0.548 -0.000 0.248) 0.602 2.514 ( 4.361 0.000 -13.068) 13.777 3.415 ( -2.493 -0.000 5.942) 6.444 3.516 ( 0.153 0.000 -2.398) 2.403 3.583 ( -0.443 -0.000 -3.408) 3.436 4.228 ( 1.179 0.000 -1.009) 1.552 4.457 ( 1.206 0.000 1.257) 1.742 5.246 ( -4.455 -0.000 18.859) 19.378 5.279 ( 2.109 0.000 3.084) 3.736 5.652 ( 1.499 0.000 -14.572) 14.649 6.149 ( -1.552 -0.000 6.063) 6.258 6.302 ( 1.402 0.000 -10.007) 10.105 7.043 ( 1.319 0.000 9.448) 9.540 7.216 ( 3.407 0.000 -7.721) 8.439 13.243 ( 0.442 0.000 -1.231) 1.308 13.347 ( 0.567 0.000 -0.813) 0.991 ======================= Grid point 640 (314/322) ======================= q-point: (-0.23 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.735 -2.030 22.750) 23.326 1.410 ( 6.725 -2.734 -17.445) 18.895 1.446 ( -1.754 -18.640 4.336) 19.218 1.612 ( 0.996 -14.568 -5.263) 15.522 1.756 ( 0.537 -5.260 -0.289) 5.295 1.929 ( 0.885 -3.187 2.345) 4.055 1.957 ( -4.295 -6.465 16.640) 18.361 2.546 ( 4.325 -4.090 -12.674) 14.002 2.718 ( 0.010 -60.687 -0.097) 60.687 2.789 ( 0.364 -62.752 0.227) 62.754 3.447 ( -2.130 -2.345 5.729) 6.547 3.536 ( 0.127 -2.761 -3.059) 4.122 3.557 ( -0.600 1.462 -3.303) 3.662 4.157 ( 0.820 5.833 -0.707) 5.933 4.454 ( 1.026 0.915 1.331) 1.914 5.261 ( 4.330 3.139 2.562) 5.930 5.263 ( -6.073 -1.202 16.487) 17.611 5.647 ( 1.216 -0.315 -12.919) 12.980 6.314 ( -1.989 -16.160 6.968) 17.711 6.468 ( 1.521 -16.637 -9.623) 19.279 7.089 ( 0.140 -4.502 9.762) 10.751 7.270 ( 3.432 -4.629 -7.208) 9.228 14.850 ( 0.220 -138.205 2.279) 138.224 15.014 ( 5.899 -156.284 -12.819) 156.920 ======================= Grid point 641 (315/322) ======================= q-point: (-0.15 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.292 -4.969 20.563) 21.586 1.476 ( 6.983 -4.305 -18.402) 20.148 1.676 ( -1.200 -8.435 3.629) 9.261 1.839 ( -1.066 -9.570 0.295) 9.634 1.885 ( 1.013 -6.976 -0.786) 7.093 2.010 ( 0.376 -4.567 0.040) 4.583 2.111 ( -3.875 -7.681 16.607) 18.703 2.628 ( 4.594 -4.096 -13.210) 14.574 3.469 ( -1.335 -0.404 3.526) 3.792 3.523 ( -0.712 0.924 -2.788) 3.023 3.615 ( 0.072 -4.427 -2.177) 4.934 4.032 ( -0.300 -9.403 1.678) 9.557 4.141 ( 0.013 -50.352 1.217) 50.367 4.217 ( 0.776 -72.068 -1.655) 72.091 4.477 ( 0.794 -11.320 0.655) 11.367 5.205 ( 3.010 3.982 1.076) 5.106 5.277 ( -3.924 -0.271 12.405) 13.014 5.631 ( 1.037 0.906 -9.807) 9.903 6.743 ( -1.930 -24.895 6.146) 25.715 6.893 ( 1.269 -24.574 -7.334) 25.676 7.263 ( -1.085 -11.066 8.682) 14.107 7.406 ( 2.859 -8.150 -6.586) 10.862 18.130 ( -0.055 -175.133 3.040) 175.159 18.586 ( 8.756 -183.475 -18.424) 184.605 ======================= Grid point 642 (316/322) ======================= q-point: (-0.08 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -3.675 -7.347 17.875) 19.673 1.593 ( 6.296 -6.234 -17.635) 19.735 1.845 ( -1.319 -8.888 4.445) 10.025 2.014 ( -1.393 -8.802 2.542) 9.267 2.032 ( 0.514 -7.400 0.311) 7.424 2.109 ( -0.033 -5.197 -0.460) 5.218 2.251 ( -3.087 -6.018 13.806) 15.374 2.711 ( 4.811 -3.539 -13.735) 14.977 3.471 ( -0.919 -0.071 2.212) 2.396 3.504 ( -0.721 0.378 -1.990) 2.150 3.684 ( 0.160 -2.666 -1.737) 3.186 4.002 ( 0.123 1.327 -0.561) 1.446 4.369 ( 0.261 1.054 1.724) 2.037 5.135 ( 2.013 3.131 0.294) 3.733 5.270 ( -2.811 0.642 8.951) 9.404 5.555 ( 0.240 -60.394 1.347) 60.410 5.598 ( 1.051 0.246 -7.520) 7.597 5.635 ( 0.077 -63.168 -0.328) 63.169 7.214 ( -1.010 -20.875 3.003) 21.114 7.363 ( 0.673 -21.335 -3.637) 21.654 7.496 ( -1.150 -10.995 5.155) 12.197 7.597 ( 1.559 -10.624 -4.474) 11.632 21.380 ( -0.385 -144.853 1.138) 144.858 21.921 ( 5.562 -144.601 -9.531) 145.021 ======================= Grid point 653 (317/322) ======================= q-point: (-0.23 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -3.939 -0.000 11.038) 11.720 0.989 ( -5.218 -0.000 23.851) 24.416 1.364 ( 2.411 0.000 -8.590) 8.922 1.423 ( 8.980 0.000 -21.529) 23.326 1.697 ( -0.129 -0.000 1.083) 1.090 1.883 ( -4.991 -0.000 20.163) 20.771 1.909 ( 1.712 0.000 -0.180) 1.722 2.102 ( 0.198 0.000 0.029) 0.200 2.117 ( -0.604 -0.000 0.840) 1.035 2.523 ( 4.550 0.000 -12.730) 13.518 3.406 ( -2.465 -0.000 5.754) 6.260 3.510 ( -0.084 -0.000 -2.426) 2.427 3.568 ( -0.616 -0.000 -3.496) 3.550 4.236 ( 0.956 0.000 -1.353) 1.657 4.472 ( 1.249 0.000 0.690) 1.427 5.236 ( -7.300 -0.000 19.743) 21.049 5.327 ( 4.939 0.000 2.337) 5.464 5.626 ( 1.446 0.000 -14.948) 15.018 6.150 ( -1.674 -0.000 5.948) 6.179 6.290 ( 1.586 0.000 -9.311) 9.445 7.082 ( 1.285 0.000 9.106) 9.196 7.232 ( 4.072 0.000 -7.397) 8.443 13.244 ( 0.509 0.000 -1.140) 1.249 13.351 ( 0.632 0.000 -0.740) 0.973 ======================= Grid point 654 (318/322) ======================= q-point: (-0.15 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -5.131 -2.050 22.890) 23.548 1.428 ( 2.577 -11.450 -4.713) 12.647 1.447 ( 3.219 -9.999 -7.601) 12.966 1.605 ( 0.608 -13.988 -5.450) 15.024 1.761 ( 0.831 -5.507 -0.525) 5.594 1.943 ( 1.129 -2.485 0.116) 2.732 1.961 ( -4.647 -6.828 18.833) 20.564 2.556 ( 4.397 -4.267 -12.267) 13.712 2.719 ( 0.176 -60.730 -0.150) 60.730 2.793 ( 0.335 -62.709 0.249) 62.711 3.442 ( -2.073 -2.550 5.573) 6.470 3.528 ( 0.062 -2.817 -3.020) 4.130 3.541 ( -0.638 1.467 -3.353) 3.715 4.162 ( 0.596 5.914 -0.853) 6.004 4.466 ( 0.850 1.023 0.979) 1.651 5.246 ( -6.106 -1.325 15.831) 17.019 5.311 ( 3.979 3.497 3.342) 6.263 5.624 ( 1.518 -0.618 -13.116) 13.218 6.312 ( -2.095 -16.070 6.775) 17.565 6.459 ( 1.785 -16.680 -9.190) 19.128 7.116 ( -0.245 -3.751 9.839) 10.533 7.286 ( 3.836 -4.353 -7.030) 9.115 14.857 ( -0.240 -138.402 2.354) 138.422 15.037 ( 6.173 -157.588 -14.396) 158.364 ======================= Grid point 655 (319/322) ======================= q-point: (-0.08 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -4.547 -4.990 20.517) 21.599 1.495 ( 6.963 -3.992 -18.045) 19.750 1.676 ( -0.913 -8.408 3.770) 9.260 1.828 ( -1.099 -9.742 -0.030) 9.804 1.893 ( 1.099 -6.924 -0.892) 7.067 2.013 ( 0.278 -4.253 -0.138) 4.264 2.118 ( -3.889 -7.705 16.725) 18.821 2.638 ( 4.628 -4.099 -12.943) 14.343 3.466 ( -1.277 -0.447 3.345) 3.609 3.509 ( -0.634 0.859 -2.836) 3.030 3.610 ( 0.105 -4.558 -1.977) 4.969 4.034 ( -0.116 -8.897 1.636) 9.047 4.145 ( 0.009 -51.087 1.424) 51.107 4.219 ( 0.578 -71.988 -1.740) 72.011 4.485 ( 0.597 -10.927 0.467) 10.954 5.230 ( 0.859 3.389 2.586) 4.349 5.277 ( -2.233 0.649 10.899) 11.144 5.617 ( 1.526 0.630 -9.836) 9.974 6.740 ( -1.926 -24.941 6.061) 25.739 6.886 ( 1.446 -24.671 -7.230) 25.750 7.275 ( -1.442 -10.496 8.729) 13.728 7.417 ( 2.985 -7.761 -6.462) 10.530 18.132 ( -1.178 -174.979 3.383) 175.016 18.622 ( 8.955 -183.575 -20.411) 184.924 ======================= Grid point 667 (320/322) ======================= q-point: (-0.15 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -3.341 -0.000 10.941) 11.440 1.000 ( -5.754 -0.000 23.794) 24.480 1.363 ( 2.128 0.000 -8.428) 8.692 1.455 ( 9.181 0.000 -21.403) 23.290 1.699 ( 0.003 0.000 1.071) 1.071 1.889 ( -4.975 -0.000 20.195) 20.799 1.924 ( 1.379 0.000 -0.220) 1.396 2.104 ( 0.366 0.000 -0.254) 0.446 2.114 ( -0.618 -0.000 1.187) 1.339 2.534 ( 4.505 0.000 -12.554) 13.337 3.398 ( -2.226 -0.000 5.556) 5.986 3.502 ( -0.255 -0.000 -2.169) 2.184 3.554 ( -0.415 -0.000 -3.584) 3.608 4.239 ( 0.479 0.000 -1.320) 1.404 4.484 ( 0.925 0.000 0.225) 0.952 5.216 ( -7.350 -0.000 19.360) 20.709 5.378 ( 3.909 0.000 2.640) 4.717 5.603 ( 2.227 0.000 -15.249) 15.410 6.149 ( -1.762 -0.000 5.733) 5.998 6.283 ( 2.012 0.000 -8.822) 9.049 7.114 ( 0.210 0.000 8.993) 8.996 7.255 ( 4.458 0.000 -7.308) 8.560 13.246 ( 0.551 0.000 -1.119) 1.248 13.355 ( 0.617 0.000 -0.735) 0.959 ======================= Grid point 668 (321/322) ======================= q-point: (-0.08 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -5.600 -2.141 22.672) 23.452 1.435 ( -1.217 -20.251 6.360) 21.261 1.466 ( 7.299 -1.243 -18.205) 19.653 1.596 ( 0.468 -13.434 -5.583) 14.555 1.768 ( 0.916 -5.715 -0.891) 5.856 1.950 ( -0.129 -2.480 1.512) 2.908 1.968 ( -3.819 -6.556 17.329) 18.917 2.566 ( 4.287 -4.434 -12.069) 13.554 2.720 ( 0.300 -60.797 -0.268) 60.799 2.797 ( 0.238 -62.638 0.233) 62.639 3.437 ( -1.926 -2.658 5.482) 6.389 3.520 ( -0.239 -2.463 -2.776) 3.719 3.529 ( 0.036 0.997 -3.407) 3.550 4.163 ( 0.217 5.886 -0.736) 5.936 4.475 ( 0.408 1.091 0.770) 1.396 5.230 ( -5.965 -1.645 16.060) 17.211 5.353 ( 2.635 3.843 3.014) 5.549 5.608 ( 2.523 -0.847 -13.288) 13.552 6.309 ( -2.127 -16.010 6.513) 17.414 6.454 ( 2.244 -16.627 -8.892) 18.989 7.135 ( -1.296 -3.237 9.900) 10.496 7.306 ( 3.905 -4.004 -7.016) 8.972 14.858 ( -0.838 -138.294 2.536) 138.320 15.056 ( 5.673 -158.596 -15.269) 159.430 ======================= Grid point 681 (322/322) ======================= q-point: (-0.08 -0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.628 -0.000 10.601) 10.922 1.005 ( -6.192 -0.000 23.420) 24.225 1.361 ( 1.910 0.000 -8.232) 8.451 1.485 ( 8.615 0.000 -21.585) 23.241 1.702 ( 0.061 0.000 0.953) 0.955 1.894 ( -5.089 -0.000 20.112) 20.746 1.934 ( 0.716 0.000 -0.210) 0.746 2.107 ( 0.060 0.000 -0.065) 0.089 2.112 ( -0.066 -0.000 0.882) 0.885 2.543 ( 4.273 0.000 -12.550) 13.258 3.392 ( -1.863 -0.000 5.396) 5.708 3.493 ( -0.358 -0.000 -1.689) 1.726 3.542 ( 0.170 0.000 -3.655) 3.659 4.238 ( -0.099 -0.000 -0.923) 0.928 4.491 ( 0.372 0.000 0.026) 0.373 5.197 ( -6.986 -0.000 19.438) 20.655 5.413 ( 1.709 0.000 2.259) 2.833 5.591 ( 3.823 0.000 -15.285) 15.755 6.146 ( -1.790 -0.000 5.457) 5.743 6.282 ( 2.605 0.000 -8.599) 8.985 7.131 ( -1.784 -0.000 8.927) 9.103 7.279 ( 4.405 0.000 -7.310) 8.534 13.249 ( 0.553 0.000 -1.176) 1.299 13.359 ( 0.531 0.000 -0.796) 0.957 =================== 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 3/28392 10.0 74.808 245.964 340.817 -0.000 -77.422 0.000 3/28392 20.0 35.559 155.328 266.008 -0.000 -67.332 0.000 3/28392 30.0 21.258 122.624 168.755 -0.000 -43.051 0.000 3/28392 40.0 14.366 97.208 114.097 -0.000 -29.084 0.000 3/28392 50.0 10.611 78.455 83.565 -0.000 -21.259 0.000 3/28392 60.0 8.340 65.197 65.191 -0.000 -16.556 0.000 3/28392 70.0 6.849 55.709 53.254 -0.000 -13.507 0.000 3/28392 80.0 5.805 48.695 44.983 -0.000 -11.399 0.000 3/28392 90.0 5.038 43.326 38.949 -0.000 -9.863 0.000 3/28392 100.0 4.452 39.083 34.364 -0.000 -8.698 0.000 3/28392 110.0 3.991 35.640 30.765 -0.000 -7.785 0.000 3/28392 120.0 3.619 32.783 27.866 -0.000 -7.049 0.000 3/28392 130.0 3.313 30.371 25.479 -0.000 -6.443 0.000 3/28392 140.0 3.057 28.303 23.479 -0.000 -5.936 0.000 3/28392 150.0 2.840 26.510 21.778 -0.000 -5.504 0.000 3/28392 160.0 2.653 24.938 20.314 -0.000 -5.133 0.000 3/28392 170.0 2.491 23.550 19.039 -0.000 -4.809 0.000 3/28392 180.0 2.349 22.313 17.919 -0.000 -4.525 0.000 3/28392 190.0 2.223 21.204 16.926 -0.000 -4.273 0.000 3/28392 200.0 2.111 20.204 16.040 -0.000 -4.048 0.000 3/28392 210.0 2.011 19.298 15.245 -0.000 -3.846 0.000 3/28392 220.0 1.920 18.473 14.526 -0.000 -3.664 0.000 3/28392 230.0 1.838 17.718 13.874 -0.000 -3.498 0.000 3/28392 240.0 1.763 17.024 13.278 -0.000 -3.347 0.000 3/28392 250.0 1.694 16.385 12.733 -0.000 -3.208 0.000 3/28392 260.0 1.631 15.793 12.231 -0.000 -3.081 0.000 3/28392 270.0 1.572 15.244 11.769 -0.000 -2.963 0.000 3/28392 280.0 1.518 14.733 11.340 -0.000 -2.855 0.000 3/28392 290.0 1.468 14.256 10.942 -0.000 -2.754 0.000 3/28392 300.0 1.421 13.810 10.571 -0.000 -2.660 0.000 3/28392 310.0 1.377 13.391 10.225 -0.000 -2.572 0.000 3/28392 320.0 1.336 12.998 9.902 -0.000 -2.490 0.000 3/28392 330.0 1.297 12.628 9.598 -0.000 -2.413 0.000 3/28392 340.0 1.260 12.278 9.312 -0.000 -2.341 0.000 3/28392 350.0 1.226 11.948 9.044 -0.000 -2.273 0.000 3/28392 360.0 1.193 11.635 8.790 -0.000 -2.208 0.000 3/28392 370.0 1.163 11.338 8.551 -0.000 -2.148 0.000 3/28392 380.0 1.133 11.056 8.324 -0.000 -2.090 0.000 3/28392 390.0 1.105 10.788 8.109 -0.000 -2.036 0.000 3/28392 400.0 1.079 10.533 7.905 -0.000 -1.984 0.000 3/28392 410.0 1.054 10.290 7.711 -0.000 -1.935 0.000 3/28392 420.0 1.030 10.057 7.526 -0.000 -1.889 0.000 3/28392 430.0 1.007 9.835 7.350 -0.000 -1.844 0.000 3/28392 440.0 0.985 9.623 7.182 -0.000 -1.802 0.000 3/28392 450.0 0.964 9.419 7.022 -0.000 -1.761 0.000 3/28392 460.0 0.944 9.224 6.869 -0.000 -1.723 0.000 3/28392 470.0 0.924 9.037 6.722 -0.000 -1.686 0.000 3/28392 480.0 0.906 8.857 6.582 -0.000 -1.650 0.000 3/28392 490.0 0.888 8.684 6.447 -0.000 -1.616 0.000 3/28392 500.0 0.871 8.518 6.318 -0.000 -1.584 0.000 3/28392 510.0 0.854 8.358 6.193 -0.000 -1.552 0.000 3/28392 520.0 0.839 8.204 6.074 -0.000 -1.522 0.000 3/28392 530.0 0.823 8.056 5.959 -0.000 -1.493 0.000 3/28392 540.0 0.809 7.912 5.848 -0.000 -1.465 0.000 3/28392 550.0 0.794 7.774 5.742 -0.000 -1.439 0.000 3/28392 560.0 0.781 7.640 5.639 -0.000 -1.413 0.000 3/28392 570.0 0.767 7.511 5.540 -0.000 -1.388 0.000 3/28392 580.0 0.754 7.386 5.444 -0.000 -1.364 0.000 3/28392 590.0 0.742 7.266 5.352 -0.000 -1.340 0.000 3/28392 600.0 0.730 7.149 5.263 -0.000 -1.318 0.000 3/28392 610.0 0.718 7.035 5.176 -0.000 -1.296 0.000 3/28392 620.0 0.707 6.926 5.093 -0.000 -1.275 0.000 3/28392 630.0 0.696 6.819 5.012 -0.000 -1.255 0.000 3/28392 640.0 0.686 6.716 4.933 -0.000 -1.235 0.000 3/28392 650.0 0.675 6.616 4.857 -0.000 -1.216 0.000 3/28392 660.0 0.665 6.519 4.784 -0.000 -1.197 0.000 3/28392 670.0 0.656 6.424 4.712 -0.000 -1.179 0.000 3/28392 680.0 0.646 6.333 4.643 -0.000 -1.162 0.000 3/28392 690.0 0.637 6.243 4.575 -0.000 -1.145 0.000 3/28392 700.0 0.628 6.157 4.510 -0.000 -1.129 0.000 3/28392 710.0 0.620 6.072 4.446 -0.000 -1.113 0.000 3/28392 720.0 0.611 5.990 4.385 -0.000 -1.097 0.000 3/28392 730.0 0.603 5.910 4.324 -0.000 -1.082 0.000 3/28392 740.0 0.595 5.832 4.266 -0.000 -1.067 0.000 3/28392 750.0 0.587 5.757 4.209 -0.000 -1.053 0.000 3/28392 760.0 0.580 5.683 4.154 -0.000 -1.039 0.000 3/28392 770.0 0.572 5.611 4.100 -0.000 -1.026 0.000 3/28392 780.0 0.565 5.540 4.047 -0.000 -1.013 0.000 3/28392 790.0 0.558 5.472 3.996 -0.000 -1.000 0.000 3/28392 800.0 0.551 5.405 3.946 -0.000 -0.987 0.000 3/28392 810.0 0.545 5.340 3.897 -0.000 -0.975 0.000 3/28392 820.0 0.538 5.276 3.850 -0.000 -0.963 0.000 3/28392 830.0 0.532 5.214 3.803 -0.000 -0.951 0.000 3/28392 840.0 0.526 5.153 3.758 -0.000 -0.940 0.000 3/28392 850.0 0.519 5.094 3.714 -0.000 -0.929 0.000 3/28392 860.0 0.514 5.036 3.670 -0.000 -0.918 0.000 3/28392 870.0 0.508 4.979 3.628 -0.000 -0.907 0.000 3/28392 880.0 0.502 4.923 3.587 -0.000 -0.897 0.000 3/28392 890.0 0.496 4.869 3.547 -0.000 -0.887 0.000 3/28392 900.0 0.491 4.816 3.507 -0.000 -0.877 0.000 3/28392 910.0 0.486 4.764 3.469 -0.000 -0.867 0.000 3/28392 920.0 0.481 4.713 3.431 -0.000 -0.858 0.000 3/28392 930.0 0.475 4.663 3.394 -0.000 -0.849 0.000 3/28392 940.0 0.470 4.615 3.358 -0.000 -0.840 0.000 3/28392 950.0 0.466 4.567 3.323 -0.000 -0.831 0.000 3/28392 960.0 0.461 4.520 3.288 -0.000 -0.822 0.000 3/28392 970.0 0.456 4.474 3.254 -0.000 -0.814 0.000 3/28392 980.0 0.452 4.429 3.221 -0.000 -0.805 0.000 3/28392 990.0 0.447 4.385 3.188 -0.000 -0.797 0.000 3/28392 1000.0 0.443 4.342 3.156 -0.000 -0.789 0.000 3/28392 Thermal conductivity related properties were written into "kappa-m13137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:50:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|