----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:33:33]------------------------- 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: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.915989790000000 -4.341901230000000 0.000000000000000 b 1.915989790000000 4.341901230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.757884719999999 Atomic positions (fractional): *1 La 0.22406834878657 0.77593165121343 0.75000000000000 138.905 2 La 0.77593165121343 0.22406834878657 0.25000000000000 138.905 *3 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 4 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 *5 N 0.63336500216632 0.36663499783368 0.55302274876788 14.007 6 N 0.36663499783369 0.63336500216631 0.05302274876788 14.007 7 N 0.63336500216632 0.36663499783368 0.94697725123212 14.007 8 N 0.36663499783369 0.63336500216631 0.44697725123212 14.007 *9 F 0.08090824976034 0.91909175023966 0.25000000000000 18.998 10 F 0.91909175023966 0.08090824976034 0.75000000000000 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.831979580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.683802460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.757884719999999 Atomic positions (fractional): *1 La 0.50000000000000 0.27593165121343 0.75000000000000 138.905 > 1 2 La 0.00000000000000 0.22406834878657 0.25000000000000 138.905 > 2 3 La 0.00000000000000 0.77593165121343 0.75000000000000 138.905 > 1 4 La 0.50000000000000 0.72406834878657 0.25000000000000 138.905 > 2 *5 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 3 6 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 4 7 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 3 8 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 4 *9 N 0.00000000000000 0.36663499783368 0.55302274876788 14.007 > 5 10 N 0.50000000000000 0.13336500216631 0.05302274876788 14.007 > 6 11 N 0.00000000000000 0.36663499783368 0.94697725123212 14.007 > 7 12 N 0.50000000000000 0.13336500216631 0.44697725123212 14.007 > 8 13 N 0.50000000000000 0.86663499783369 0.55302274876788 14.007 > 5 14 N 0.00000000000000 0.63336500216631 0.05302274876788 14.007 > 6 15 N 0.50000000000000 0.86663499783369 0.94697725123212 14.007 > 7 16 N 0.00000000000000 0.63336500216631 0.44697725123212 14.007 > 8 *17 F 0.50000000000000 0.41909175023966 0.25000000000000 18.998 > 9 18 F 0.00000000000000 0.08090824976034 0.75000000000000 18.998 > 10 19 F 0.00000000000000 0.91909175023966 0.25000000000000 18.998 > 9 20 F 0.50000000000000 0.58090824976034 0.75000000000000 18.998 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.495938740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.683802460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.515769439999998 Atomic positions (fractional): *1 La 0.16666666666667 0.27593165121343 0.37500000000000 138.905 > 1 2 La 0.50000000000000 0.27593165121343 0.37500000000000 138.905 > 1 3 La 0.83333333333333 0.27593165121343 0.37500000000000 138.905 > 1 4 La 0.16666666666667 0.27593165121343 0.87500000000000 138.905 > 1 5 La 0.50000000000000 0.27593165121343 0.87500000000000 138.905 > 1 6 La 0.83333333333333 0.27593165121343 0.87500000000000 138.905 > 1 7 La 0.00000000000000 0.22406834878657 0.12500000000000 138.905 > 2 8 La 0.33333333333333 0.22406834878657 0.12500000000000 138.905 > 2 9 La 0.66666666666667 0.22406834878657 0.12500000000000 138.905 > 2 10 La 0.00000000000000 0.22406834878657 0.62500000000000 138.905 > 2 11 La 0.33333333333333 0.22406834878657 0.62500000000000 138.905 > 2 12 La 0.66666666666667 0.22406834878657 0.62500000000000 138.905 > 2 13 La 0.00000000000000 0.77593165121343 0.37500000000000 138.905 > 1 14 La 0.33333333333333 0.77593165121343 0.37500000000000 138.905 > 1 15 La 0.66666666666667 0.77593165121343 0.37500000000000 138.905 > 1 16 La 0.00000000000000 0.77593165121343 0.87500000000000 138.905 > 1 17 La 0.33333333333333 0.77593165121343 0.87500000000000 138.905 > 1 18 La 0.66666666666667 0.77593165121343 0.87500000000000 138.905 > 1 19 La 0.16666666666667 0.72406834878657 0.12500000000000 138.905 > 2 20 La 0.50000000000000 0.72406834878657 0.12500000000000 138.905 > 2 21 La 0.83333333333333 0.72406834878657 0.12500000000000 138.905 > 2 22 La 0.16666666666667 0.72406834878657 0.62500000000000 138.905 > 2 23 La 0.50000000000000 0.72406834878657 0.62500000000000 138.905 > 2 24 La 0.83333333333333 0.72406834878657 0.62500000000000 138.905 > 2 *25 C 0.16666666666667 0.00000000000000 0.00000000000000 12.011 > 3 26 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 3 27 C 0.83333333333333 0.00000000000000 0.00000000000000 12.011 > 3 28 C 0.16666666666667 0.00000000000000 0.50000000000000 12.011 > 3 29 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 3 30 C 0.83333333333333 0.00000000000000 0.50000000000000 12.011 > 3 31 C 0.16666666666667 0.00000000000000 0.25000000000000 12.011 > 4 32 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 4 33 C 0.83333333333333 0.00000000000000 0.25000000000000 12.011 > 4 34 C 0.16666666666667 0.00000000000000 0.75000000000000 12.011 > 4 35 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 4 36 C 0.83333333333333 0.00000000000000 0.75000000000000 12.011 > 4 37 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 3 38 C 0.33333333333333 0.50000000000000 0.00000000000000 12.011 > 3 39 C 0.66666666666667 0.50000000000000 0.00000000000000 12.011 > 3 40 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 3 41 C 0.33333333333333 0.50000000000000 0.50000000000000 12.011 > 3 42 C 0.66666666666667 0.50000000000000 0.50000000000000 12.011 > 3 43 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 4 44 C 0.33333333333333 0.50000000000000 0.25000000000000 12.011 > 4 45 C 0.66666666666667 0.50000000000000 0.25000000000000 12.011 > 4 46 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 4 47 C 0.33333333333333 0.50000000000000 0.75000000000000 12.011 > 4 48 C 0.66666666666667 0.50000000000000 0.75000000000000 12.011 > 4 *49 N 0.00000000000000 0.36663499783368 0.27651137438394 14.007 > 5 50 N 0.33333333333333 0.36663499783368 0.27651137438394 14.007 > 5 51 N 0.66666666666667 0.36663499783368 0.27651137438394 14.007 > 5 52 N 0.00000000000000 0.36663499783368 0.77651137438394 14.007 > 5 53 N 0.33333333333333 0.36663499783368 0.77651137438394 14.007 > 5 54 N 0.66666666666667 0.36663499783368 0.77651137438394 14.007 > 5 55 N 0.16666666666667 0.13336500216631 0.02651137438394 14.007 > 6 56 N 0.50000000000000 0.13336500216631 0.02651137438394 14.007 > 6 57 N 0.83333333333333 0.13336500216631 0.02651137438394 14.007 > 6 58 N 0.16666666666667 0.13336500216631 0.52651137438394 14.007 > 6 59 N 0.50000000000000 0.13336500216631 0.52651137438394 14.007 > 6 60 N 0.83333333333333 0.13336500216631 0.52651137438394 14.007 > 6 61 N 0.00000000000000 0.36663499783368 0.47348862561606 14.007 > 7 62 N 0.33333333333333 0.36663499783368 0.47348862561606 14.007 > 7 63 N 0.66666666666667 0.36663499783368 0.47348862561606 14.007 > 7 64 N 0.00000000000000 0.36663499783368 0.97348862561606 14.007 > 7 65 N 0.33333333333333 0.36663499783368 0.97348862561606 14.007 > 7 66 N 0.66666666666667 0.36663499783368 0.97348862561606 14.007 > 7 67 N 0.16666666666667 0.13336500216631 0.22348862561606 14.007 > 8 68 N 0.50000000000000 0.13336500216631 0.22348862561606 14.007 > 8 69 N 0.83333333333333 0.13336500216631 0.22348862561606 14.007 > 8 70 N 0.16666666666667 0.13336500216631 0.72348862561606 14.007 > 8 71 N 0.50000000000000 0.13336500216631 0.72348862561606 14.007 > 8 72 N 0.83333333333333 0.13336500216631 0.72348862561606 14.007 > 8 73 N 0.16666666666667 0.86663499783369 0.27651137438394 14.007 > 5 74 N 0.50000000000000 0.86663499783369 0.27651137438394 14.007 > 5 75 N 0.83333333333333 0.86663499783369 0.27651137438394 14.007 > 5 76 N 0.16666666666667 0.86663499783369 0.77651137438394 14.007 > 5 77 N 0.50000000000000 0.86663499783369 0.77651137438394 14.007 > 5 78 N 0.83333333333333 0.86663499783369 0.77651137438394 14.007 > 5 79 N 0.00000000000000 0.63336500216631 0.02651137438394 14.007 > 6 80 N 0.33333333333333 0.63336500216631 0.02651137438394 14.007 > 6 81 N 0.66666666666667 0.63336500216631 0.02651137438394 14.007 > 6 82 N 0.00000000000000 0.63336500216631 0.52651137438394 14.007 > 6 83 N 0.33333333333333 0.63336500216631 0.52651137438394 14.007 > 6 84 N 0.66666666666667 0.63336500216631 0.52651137438394 14.007 > 6 85 N 0.16666666666667 0.86663499783369 0.47348862561606 14.007 > 7 86 N 0.50000000000000 0.86663499783369 0.47348862561606 14.007 > 7 87 N 0.83333333333333 0.86663499783369 0.47348862561606 14.007 > 7 88 N 0.16666666666667 0.86663499783369 0.97348862561606 14.007 > 7 89 N 0.50000000000000 0.86663499783369 0.97348862561606 14.007 > 7 90 N 0.83333333333333 0.86663499783369 0.97348862561606 14.007 > 7 91 N 0.00000000000000 0.63336500216631 0.22348862561606 14.007 > 8 92 N 0.33333333333333 0.63336500216631 0.22348862561606 14.007 > 8 93 N 0.66666666666667 0.63336500216631 0.22348862561606 14.007 > 8 94 N 0.00000000000000 0.63336500216631 0.72348862561606 14.007 > 8 95 N 0.33333333333333 0.63336500216631 0.72348862561606 14.007 > 8 96 N 0.66666666666667 0.63336500216631 0.72348862561606 14.007 > 8 *97 F 0.16666666666667 0.41909175023966 0.12500000000000 18.998 > 9 98 F 0.50000000000000 0.41909175023966 0.12500000000000 18.998 > 9 99 F 0.83333333333333 0.41909175023966 0.12500000000000 18.998 > 9 100 F 0.16666666666667 0.41909175023966 0.62500000000000 18.998 > 9 101 F 0.50000000000000 0.41909175023966 0.62500000000000 18.998 > 9 102 F 0.83333333333333 0.41909175023966 0.62500000000000 18.998 > 9 103 F 0.00000000000000 0.08090824976034 0.37500000000000 18.998 > 10 104 F 0.33333333333333 0.08090824976034 0.37500000000000 18.998 > 10 105 F 0.66666666666667 0.08090824976034 0.37500000000000 18.998 > 10 106 F 0.00000000000000 0.08090824976034 0.87500000000000 18.998 > 10 107 F 0.33333333333333 0.08090824976034 0.87500000000000 18.998 > 10 108 F 0.66666666666667 0.08090824976034 0.87500000000000 18.998 > 10 109 F 0.00000000000000 0.91909175023966 0.12500000000000 18.998 > 9 110 F 0.33333333333333 0.91909175023966 0.12500000000000 18.998 > 9 111 F 0.66666666666667 0.91909175023966 0.12500000000000 18.998 > 9 112 F 0.00000000000000 0.91909175023966 0.62500000000000 18.998 > 9 113 F 0.33333333333333 0.91909175023966 0.62500000000000 18.998 > 9 114 F 0.66666666666667 0.91909175023966 0.62500000000000 18.998 > 9 115 F 0.16666666666667 0.58090824976034 0.37500000000000 18.998 > 10 116 F 0.50000000000000 0.58090824976034 0.37500000000000 18.998 > 10 117 F 0.83333333333333 0.58090824976034 0.37500000000000 18.998 > 10 118 F 0.16666666666667 0.58090824976034 0.87500000000000 18.998 > 10 119 F 0.50000000000000 0.58090824976034 0.87500000000000 18.998 > 10 120 F 0.83333333333333 0.58090824976034 0.87500000000000 18.998 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7230112 0.0000000 0.0000000 0.0000000 5.4351807 0.0000000 0.0000000 0.0000000 4.1088585 -------------------------- Born effective charges -------------------------- 1 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 2 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 3 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 1.6664393 0.0000000 1.8107597 0.4890906 4 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 -1.6664393 0.0000000 -1.8107597 0.4890906 5 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 6 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 7 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 8 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 9 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 10 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.811 Solver_block: 160 / 160 - Time: 0.540 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.475 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 6366/6366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 804 Number of blocks in projector: 804 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 106 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 90 Use standard eigh solver. Tree of FC basis block matrices: - (804, 788), data: False |-- (90, 90), data: True |-- (106, 106), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (140, 136), data: True |-- (188, 184), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:33:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:33:45]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.915989790000000 -4.341901230000000 0.000000000000000 b 1.915989790000000 4.341901230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.757884719999999 Atomic positions (fractional): 1 La 0.22406834878657 0.77593165121343 0.75000000000000 138.905 2 La 0.77593165121343 0.22406834878657 0.25000000000000 138.905 3 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 4 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 5 N 0.63336500216632 0.36663499783368 0.55302274876788 14.007 6 N 0.36663499783369 0.63336500216631 0.05302274876788 14.007 7 N 0.63336500216632 0.36663499783368 0.94697725123212 14.007 8 N 0.36663499783369 0.63336500216631 0.44697725123212 14.007 9 F 0.08090824976034 0.91909175023966 0.25000000000000 18.998 10 F 0.91909175023966 0.08090824976034 0.75000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.495938740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.683802460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.515769439999998 Atomic positions (fractional): 1 La 0.16666666666667 0.27593165121343 0.37500000000000 138.905 > 1 2 La 0.50000000000000 0.27593165121343 0.37500000000000 138.905 > 1 3 La 0.83333333333333 0.27593165121343 0.37500000000000 138.905 > 1 4 La 0.16666666666667 0.27593165121343 0.87500000000000 138.905 > 1 5 La 0.50000000000000 0.27593165121343 0.87500000000000 138.905 > 1 6 La 0.83333333333333 0.27593165121343 0.87500000000000 138.905 > 1 7 La 0.00000000000000 0.22406834878657 0.12500000000000 138.905 > 7 8 La 0.33333333333333 0.22406834878657 0.12500000000000 138.905 > 7 9 La 0.66666666666667 0.22406834878657 0.12500000000000 138.905 > 7 10 La 0.00000000000000 0.22406834878657 0.62500000000000 138.905 > 7 11 La 0.33333333333333 0.22406834878657 0.62500000000000 138.905 > 7 12 La 0.66666666666667 0.22406834878657 0.62500000000000 138.905 > 7 13 La 0.00000000000000 0.77593165121343 0.37500000000000 138.905 > 1 14 La 0.33333333333333 0.77593165121343 0.37500000000000 138.905 > 1 15 La 0.66666666666667 0.77593165121343 0.37500000000000 138.905 > 1 16 La 0.00000000000000 0.77593165121343 0.87500000000000 138.905 > 1 17 La 0.33333333333333 0.77593165121343 0.87500000000000 138.905 > 1 18 La 0.66666666666667 0.77593165121343 0.87500000000000 138.905 > 1 19 La 0.16666666666667 0.72406834878657 0.12500000000000 138.905 > 7 20 La 0.50000000000000 0.72406834878657 0.12500000000000 138.905 > 7 21 La 0.83333333333333 0.72406834878657 0.12500000000000 138.905 > 7 22 La 0.16666666666667 0.72406834878657 0.62500000000000 138.905 > 7 23 La 0.50000000000000 0.72406834878657 0.62500000000000 138.905 > 7 24 La 0.83333333333333 0.72406834878657 0.62500000000000 138.905 > 7 25 C 0.16666666666667 0.00000000000000 0.00000000000000 12.011 > 25 26 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 25 27 C 0.83333333333333 0.00000000000000 0.00000000000000 12.011 > 25 28 C 0.16666666666667 0.00000000000000 0.50000000000000 12.011 > 25 29 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 25 30 C 0.83333333333333 0.00000000000000 0.50000000000000 12.011 > 25 31 C 0.16666666666667 0.00000000000000 0.25000000000000 12.011 > 31 32 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 31 33 C 0.83333333333333 0.00000000000000 0.25000000000000 12.011 > 31 34 C 0.16666666666667 0.00000000000000 0.75000000000000 12.011 > 31 35 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 31 36 C 0.83333333333333 0.00000000000000 0.75000000000000 12.011 > 31 37 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 25 38 C 0.33333333333333 0.50000000000000 0.00000000000000 12.011 > 25 39 C 0.66666666666667 0.50000000000000 0.00000000000000 12.011 > 25 40 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 25 41 C 0.33333333333333 0.50000000000000 0.50000000000000 12.011 > 25 42 C 0.66666666666667 0.50000000000000 0.50000000000000 12.011 > 25 43 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 31 44 C 0.33333333333333 0.50000000000000 0.25000000000000 12.011 > 31 45 C 0.66666666666667 0.50000000000000 0.25000000000000 12.011 > 31 46 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 31 47 C 0.33333333333333 0.50000000000000 0.75000000000000 12.011 > 31 48 C 0.66666666666667 0.50000000000000 0.75000000000000 12.011 > 31 49 N 0.00000000000000 0.36663499783368 0.27651137438394 14.007 > 49 50 N 0.33333333333333 0.36663499783368 0.27651137438394 14.007 > 49 51 N 0.66666666666667 0.36663499783368 0.27651137438394 14.007 > 49 52 N 0.00000000000000 0.36663499783368 0.77651137438394 14.007 > 49 53 N 0.33333333333333 0.36663499783368 0.77651137438394 14.007 > 49 54 N 0.66666666666667 0.36663499783368 0.77651137438394 14.007 > 49 55 N 0.16666666666667 0.13336500216631 0.02651137438394 14.007 > 55 56 N 0.50000000000000 0.13336500216631 0.02651137438394 14.007 > 55 57 N 0.83333333333333 0.13336500216631 0.02651137438394 14.007 > 55 58 N 0.16666666666667 0.13336500216631 0.52651137438394 14.007 > 55 59 N 0.50000000000000 0.13336500216631 0.52651137438394 14.007 > 55 60 N 0.83333333333333 0.13336500216631 0.52651137438394 14.007 > 55 61 N 0.00000000000000 0.36663499783368 0.47348862561606 14.007 > 61 62 N 0.33333333333333 0.36663499783368 0.47348862561606 14.007 > 61 63 N 0.66666666666667 0.36663499783368 0.47348862561606 14.007 > 61 64 N 0.00000000000000 0.36663499783368 0.97348862561606 14.007 > 61 65 N 0.33333333333333 0.36663499783368 0.97348862561606 14.007 > 61 66 N 0.66666666666667 0.36663499783368 0.97348862561606 14.007 > 61 67 N 0.16666666666667 0.13336500216631 0.22348862561606 14.007 > 67 68 N 0.50000000000000 0.13336500216631 0.22348862561606 14.007 > 67 69 N 0.83333333333333 0.13336500216631 0.22348862561606 14.007 > 67 70 N 0.16666666666667 0.13336500216631 0.72348862561606 14.007 > 67 71 N 0.50000000000000 0.13336500216631 0.72348862561606 14.007 > 67 72 N 0.83333333333333 0.13336500216631 0.72348862561606 14.007 > 67 73 N 0.16666666666667 0.86663499783369 0.27651137438394 14.007 > 49 74 N 0.50000000000000 0.86663499783369 0.27651137438394 14.007 > 49 75 N 0.83333333333333 0.86663499783369 0.27651137438394 14.007 > 49 76 N 0.16666666666667 0.86663499783369 0.77651137438394 14.007 > 49 77 N 0.50000000000000 0.86663499783369 0.77651137438394 14.007 > 49 78 N 0.83333333333333 0.86663499783369 0.77651137438394 14.007 > 49 79 N 0.00000000000000 0.63336500216631 0.02651137438394 14.007 > 55 80 N 0.33333333333333 0.63336500216631 0.02651137438394 14.007 > 55 81 N 0.66666666666667 0.63336500216631 0.02651137438394 14.007 > 55 82 N 0.00000000000000 0.63336500216631 0.52651137438394 14.007 > 55 83 N 0.33333333333333 0.63336500216631 0.52651137438394 14.007 > 55 84 N 0.66666666666667 0.63336500216631 0.52651137438394 14.007 > 55 85 N 0.16666666666667 0.86663499783369 0.47348862561606 14.007 > 61 86 N 0.50000000000000 0.86663499783369 0.47348862561606 14.007 > 61 87 N 0.83333333333333 0.86663499783369 0.47348862561606 14.007 > 61 88 N 0.16666666666667 0.86663499783369 0.97348862561606 14.007 > 61 89 N 0.50000000000000 0.86663499783369 0.97348862561606 14.007 > 61 90 N 0.83333333333333 0.86663499783369 0.97348862561606 14.007 > 61 91 N 0.00000000000000 0.63336500216631 0.22348862561606 14.007 > 67 92 N 0.33333333333333 0.63336500216631 0.22348862561606 14.007 > 67 93 N 0.66666666666667 0.63336500216631 0.22348862561606 14.007 > 67 94 N 0.00000000000000 0.63336500216631 0.72348862561606 14.007 > 67 95 N 0.33333333333333 0.63336500216631 0.72348862561606 14.007 > 67 96 N 0.66666666666667 0.63336500216631 0.72348862561606 14.007 > 67 97 F 0.16666666666667 0.41909175023966 0.12500000000000 18.998 > 97 98 F 0.50000000000000 0.41909175023966 0.12500000000000 18.998 > 97 99 F 0.83333333333333 0.41909175023966 0.12500000000000 18.998 > 97 100 F 0.16666666666667 0.41909175023966 0.62500000000000 18.998 > 97 101 F 0.50000000000000 0.41909175023966 0.62500000000000 18.998 > 97 102 F 0.83333333333333 0.41909175023966 0.62500000000000 18.998 > 97 103 F 0.00000000000000 0.08090824976034 0.37500000000000 18.998 > 103 104 F 0.33333333333333 0.08090824976034 0.37500000000000 18.998 > 103 105 F 0.66666666666667 0.08090824976034 0.37500000000000 18.998 > 103 106 F 0.00000000000000 0.08090824976034 0.87500000000000 18.998 > 103 107 F 0.33333333333333 0.08090824976034 0.87500000000000 18.998 > 103 108 F 0.66666666666667 0.08090824976034 0.87500000000000 18.998 > 103 109 F 0.00000000000000 0.91909175023966 0.12500000000000 18.998 > 97 110 F 0.33333333333333 0.91909175023966 0.12500000000000 18.998 > 97 111 F 0.66666666666667 0.91909175023966 0.12500000000000 18.998 > 97 112 F 0.00000000000000 0.91909175023966 0.62500000000000 18.998 > 97 113 F 0.33333333333333 0.91909175023966 0.62500000000000 18.998 > 97 114 F 0.66666666666667 0.91909175023966 0.62500000000000 18.998 > 97 115 F 0.16666666666667 0.58090824976034 0.37500000000000 18.998 > 103 116 F 0.50000000000000 0.58090824976034 0.37500000000000 18.998 > 103 117 F 0.83333333333333 0.58090824976034 0.37500000000000 18.998 > 103 118 F 0.16666666666667 0.58090824976034 0.87500000000000 18.998 > 103 119 F 0.50000000000000 0.58090824976034 0.87500000000000 18.998 > 103 120 F 0.83333333333333 0.58090824976034 0.87500000000000 18.998 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7230112 0.0000000 0.0000000 0.0000000 5.4351807 0.0000000 0.0000000 0.0000000 4.1088585 -------------------------- Born effective charges -------------------------- 1 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 2 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 3 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 1.6664393 0.0000000 1.8107597 0.4890906 4 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 -1.6664393 0.0000000 -1.8107597 0.4890906 5 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 6 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 7 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 8 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 9 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 10 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 12:33:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:33:58]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.915989790000000 -4.341901230000000 0.000000000000000 b 1.915989790000000 4.341901230000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.757884719999999 Atomic positions (fractional): 1 La 0.22406834878657 0.77593165121343 0.75000000000000 138.905 2 La 0.77593165121343 0.22406834878657 0.25000000000000 138.905 3 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 4 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 5 N 0.63336500216632 0.36663499783368 0.55302274876788 14.007 6 N 0.36663499783369 0.63336500216631 0.05302274876788 14.007 7 N 0.63336500216632 0.36663499783368 0.94697725123212 14.007 8 N 0.36663499783369 0.63336500216631 0.44697725123212 14.007 9 F 0.08090824976034 0.91909175023966 0.25000000000000 18.998 10 F 0.91909175023966 0.08090824976034 0.75000000000000 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.495938740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.683802460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.515769439999998 Atomic positions (fractional): 1 La 0.16666666666667 0.27593165121343 0.37500000000000 138.905 > 1 2 La 0.50000000000000 0.27593165121343 0.37500000000000 138.905 > 1 3 La 0.83333333333333 0.27593165121343 0.37500000000000 138.905 > 1 4 La 0.16666666666667 0.27593165121343 0.87500000000000 138.905 > 1 5 La 0.50000000000000 0.27593165121343 0.87500000000000 138.905 > 1 6 La 0.83333333333333 0.27593165121343 0.87500000000000 138.905 > 1 7 La 0.00000000000000 0.22406834878657 0.12500000000000 138.905 > 7 8 La 0.33333333333333 0.22406834878657 0.12500000000000 138.905 > 7 9 La 0.66666666666667 0.22406834878657 0.12500000000000 138.905 > 7 10 La 0.00000000000000 0.22406834878657 0.62500000000000 138.905 > 7 11 La 0.33333333333333 0.22406834878657 0.62500000000000 138.905 > 7 12 La 0.66666666666667 0.22406834878657 0.62500000000000 138.905 > 7 13 La 0.00000000000000 0.77593165121343 0.37500000000000 138.905 > 1 14 La 0.33333333333333 0.77593165121343 0.37500000000000 138.905 > 1 15 La 0.66666666666667 0.77593165121343 0.37500000000000 138.905 > 1 16 La 0.00000000000000 0.77593165121343 0.87500000000000 138.905 > 1 17 La 0.33333333333333 0.77593165121343 0.87500000000000 138.905 > 1 18 La 0.66666666666667 0.77593165121343 0.87500000000000 138.905 > 1 19 La 0.16666666666667 0.72406834878657 0.12500000000000 138.905 > 7 20 La 0.50000000000000 0.72406834878657 0.12500000000000 138.905 > 7 21 La 0.83333333333333 0.72406834878657 0.12500000000000 138.905 > 7 22 La 0.16666666666667 0.72406834878657 0.62500000000000 138.905 > 7 23 La 0.50000000000000 0.72406834878657 0.62500000000000 138.905 > 7 24 La 0.83333333333333 0.72406834878657 0.62500000000000 138.905 > 7 25 C 0.16666666666667 0.00000000000000 0.00000000000000 12.011 > 25 26 C 0.50000000000000 0.00000000000000 0.00000000000000 12.011 > 25 27 C 0.83333333333333 0.00000000000000 0.00000000000000 12.011 > 25 28 C 0.16666666666667 0.00000000000000 0.50000000000000 12.011 > 25 29 C 0.50000000000000 0.00000000000000 0.50000000000000 12.011 > 25 30 C 0.83333333333333 0.00000000000000 0.50000000000000 12.011 > 25 31 C 0.16666666666667 0.00000000000000 0.25000000000000 12.011 > 31 32 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 31 33 C 0.83333333333333 0.00000000000000 0.25000000000000 12.011 > 31 34 C 0.16666666666667 0.00000000000000 0.75000000000000 12.011 > 31 35 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 31 36 C 0.83333333333333 0.00000000000000 0.75000000000000 12.011 > 31 37 C 0.00000000000000 0.50000000000000 0.00000000000000 12.011 > 25 38 C 0.33333333333333 0.50000000000000 0.00000000000000 12.011 > 25 39 C 0.66666666666667 0.50000000000000 0.00000000000000 12.011 > 25 40 C 0.00000000000000 0.50000000000000 0.50000000000000 12.011 > 25 41 C 0.33333333333333 0.50000000000000 0.50000000000000 12.011 > 25 42 C 0.66666666666667 0.50000000000000 0.50000000000000 12.011 > 25 43 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 31 44 C 0.33333333333333 0.50000000000000 0.25000000000000 12.011 > 31 45 C 0.66666666666667 0.50000000000000 0.25000000000000 12.011 > 31 46 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 31 47 C 0.33333333333333 0.50000000000000 0.75000000000000 12.011 > 31 48 C 0.66666666666667 0.50000000000000 0.75000000000000 12.011 > 31 49 N 0.00000000000000 0.36663499783368 0.27651137438394 14.007 > 49 50 N 0.33333333333333 0.36663499783368 0.27651137438394 14.007 > 49 51 N 0.66666666666667 0.36663499783368 0.27651137438394 14.007 > 49 52 N 0.00000000000000 0.36663499783368 0.77651137438394 14.007 > 49 53 N 0.33333333333333 0.36663499783368 0.77651137438394 14.007 > 49 54 N 0.66666666666667 0.36663499783368 0.77651137438394 14.007 > 49 55 N 0.16666666666667 0.13336500216631 0.02651137438394 14.007 > 55 56 N 0.50000000000000 0.13336500216631 0.02651137438394 14.007 > 55 57 N 0.83333333333333 0.13336500216631 0.02651137438394 14.007 > 55 58 N 0.16666666666667 0.13336500216631 0.52651137438394 14.007 > 55 59 N 0.50000000000000 0.13336500216631 0.52651137438394 14.007 > 55 60 N 0.83333333333333 0.13336500216631 0.52651137438394 14.007 > 55 61 N 0.00000000000000 0.36663499783368 0.47348862561606 14.007 > 61 62 N 0.33333333333333 0.36663499783368 0.47348862561606 14.007 > 61 63 N 0.66666666666667 0.36663499783368 0.47348862561606 14.007 > 61 64 N 0.00000000000000 0.36663499783368 0.97348862561606 14.007 > 61 65 N 0.33333333333333 0.36663499783368 0.97348862561606 14.007 > 61 66 N 0.66666666666667 0.36663499783368 0.97348862561606 14.007 > 61 67 N 0.16666666666667 0.13336500216631 0.22348862561606 14.007 > 67 68 N 0.50000000000000 0.13336500216631 0.22348862561606 14.007 > 67 69 N 0.83333333333333 0.13336500216631 0.22348862561606 14.007 > 67 70 N 0.16666666666667 0.13336500216631 0.72348862561606 14.007 > 67 71 N 0.50000000000000 0.13336500216631 0.72348862561606 14.007 > 67 72 N 0.83333333333333 0.13336500216631 0.72348862561606 14.007 > 67 73 N 0.16666666666667 0.86663499783369 0.27651137438394 14.007 > 49 74 N 0.50000000000000 0.86663499783369 0.27651137438394 14.007 > 49 75 N 0.83333333333333 0.86663499783369 0.27651137438394 14.007 > 49 76 N 0.16666666666667 0.86663499783369 0.77651137438394 14.007 > 49 77 N 0.50000000000000 0.86663499783369 0.77651137438394 14.007 > 49 78 N 0.83333333333333 0.86663499783369 0.77651137438394 14.007 > 49 79 N 0.00000000000000 0.63336500216631 0.02651137438394 14.007 > 55 80 N 0.33333333333333 0.63336500216631 0.02651137438394 14.007 > 55 81 N 0.66666666666667 0.63336500216631 0.02651137438394 14.007 > 55 82 N 0.00000000000000 0.63336500216631 0.52651137438394 14.007 > 55 83 N 0.33333333333333 0.63336500216631 0.52651137438394 14.007 > 55 84 N 0.66666666666667 0.63336500216631 0.52651137438394 14.007 > 55 85 N 0.16666666666667 0.86663499783369 0.47348862561606 14.007 > 61 86 N 0.50000000000000 0.86663499783369 0.47348862561606 14.007 > 61 87 N 0.83333333333333 0.86663499783369 0.47348862561606 14.007 > 61 88 N 0.16666666666667 0.86663499783369 0.97348862561606 14.007 > 61 89 N 0.50000000000000 0.86663499783369 0.97348862561606 14.007 > 61 90 N 0.83333333333333 0.86663499783369 0.97348862561606 14.007 > 61 91 N 0.00000000000000 0.63336500216631 0.22348862561606 14.007 > 67 92 N 0.33333333333333 0.63336500216631 0.22348862561606 14.007 > 67 93 N 0.66666666666667 0.63336500216631 0.22348862561606 14.007 > 67 94 N 0.00000000000000 0.63336500216631 0.72348862561606 14.007 > 67 95 N 0.33333333333333 0.63336500216631 0.72348862561606 14.007 > 67 96 N 0.66666666666667 0.63336500216631 0.72348862561606 14.007 > 67 97 F 0.16666666666667 0.41909175023966 0.12500000000000 18.998 > 97 98 F 0.50000000000000 0.41909175023966 0.12500000000000 18.998 > 97 99 F 0.83333333333333 0.41909175023966 0.12500000000000 18.998 > 97 100 F 0.16666666666667 0.41909175023966 0.62500000000000 18.998 > 97 101 F 0.50000000000000 0.41909175023966 0.62500000000000 18.998 > 97 102 F 0.83333333333333 0.41909175023966 0.62500000000000 18.998 > 97 103 F 0.00000000000000 0.08090824976034 0.37500000000000 18.998 > 103 104 F 0.33333333333333 0.08090824976034 0.37500000000000 18.998 > 103 105 F 0.66666666666667 0.08090824976034 0.37500000000000 18.998 > 103 106 F 0.00000000000000 0.08090824976034 0.87500000000000 18.998 > 103 107 F 0.33333333333333 0.08090824976034 0.87500000000000 18.998 > 103 108 F 0.66666666666667 0.08090824976034 0.87500000000000 18.998 > 103 109 F 0.00000000000000 0.91909175023966 0.12500000000000 18.998 > 97 110 F 0.33333333333333 0.91909175023966 0.12500000000000 18.998 > 97 111 F 0.66666666666667 0.91909175023966 0.12500000000000 18.998 > 97 112 F 0.00000000000000 0.91909175023966 0.62500000000000 18.998 > 97 113 F 0.33333333333333 0.91909175023966 0.62500000000000 18.998 > 97 114 F 0.66666666666667 0.91909175023966 0.62500000000000 18.998 > 97 115 F 0.16666666666667 0.58090824976034 0.37500000000000 18.998 > 103 116 F 0.50000000000000 0.58090824976034 0.37500000000000 18.998 > 103 117 F 0.83333333333333 0.58090824976034 0.37500000000000 18.998 > 103 118 F 0.16666666666667 0.58090824976034 0.87500000000000 18.998 > 103 119 F 0.50000000000000 0.58090824976034 0.87500000000000 18.998 > 103 120 F 0.83333333333333 0.58090824976034 0.87500000000000 18.998 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7230112 0.0000000 0.0000000 0.0000000 5.4351807 0.0000000 0.0000000 0.0000000 4.1088585 -------------------------- Born effective charges -------------------------- 1 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 2 La 4.3159783 0.0000000 0.0000000 0.0000000 4.2652231 0.0000000 0.0000000 0.0000000 4.2853453 3 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 1.6664393 0.0000000 1.8107597 0.4890906 4 C 0.0262400 0.0000000 0.0000000 0.0000000 4.6651928 -1.6664393 0.0000000 -1.8107597 0.4890906 5 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 6 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 7 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 -0.5852565 0.0000000 -0.9575464 -1.9432482 8 N -1.3657209 0.0000000 0.0000000 0.0000000 -3.5300387 0.5852565 0.0000000 0.9575464 -1.9432482 9 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 10 F -1.6107765 0.0000000 0.0000000 0.0000000 -1.8703384 0.0000000 0.0000000 0.0000000 -0.8879394 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 6 ] 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: 0.82, Number of G-points: 293, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/228) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 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 2.840 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.393 ( 0.000 0.000 0.000) 0.000 18.664 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 19.290 ( 0.000 0.000 0.000) 0.000 19.795 ( 0.000 0.000 0.000) 0.000 39.453 ( 0.000 0.000 0.000) 0.000 39.511 ( 0.000 0.000 0.000) 0.000 61.821 ( 0.000 0.000 0.000) 0.000 62.837 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/228) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 20.101 -26.087 0.000) 32.933 0.675 ( 30.866 -10.953 0.000) 32.752 1.112 ( 51.280 -16.947 0.000) 54.007 2.835 ( -1.366 -1.702 0.000) 2.182 3.096 ( 14.152 -0.973 0.000) 14.185 4.522 ( -6.306 1.908 0.000) 6.589 5.035 ( -9.240 -31.316 0.000) 32.651 5.824 ( -0.075 3.606 0.000) 3.606 5.833 ( -0.262 0.215 0.000) 0.339 6.071 ( -7.080 -0.582 0.000) 7.104 6.092 ( 0.158 -4.403 0.000) 4.405 6.523 ( 0.572 -2.635 0.000) 2.696 7.038 ( 0.995 1.405 0.000) 1.721 7.266 ( -4.038 -0.826 0.000) 4.121 7.918 ( -0.359 7.932 0.000) 7.941 8.067 ( -2.349 1.697 0.000) 2.898 9.027 ( -5.750 3.354 0.000) 6.656 9.199 ( -0.657 3.492 0.000) 3.553 9.525 ( 1.492 2.698 0.000) 3.083 9.745 ( -2.676 9.448 0.000) 9.820 10.216 ( 22.014 39.387 0.000) 45.122 10.551 ( 2.604 -9.080 0.000) 9.446 18.676 ( 1.151 -0.300 0.000) 1.189 19.141 ( 13.296 30.718 0.000) 33.472 19.290 ( 0.028 0.024 0.000) 0.037 19.803 ( -3.610 -3.024 0.000) 4.709 39.448 ( -0.077 0.795 0.000) 0.799 39.500 ( -0.792 0.918 0.000) 1.213 61.853 ( 0.989 -5.385 0.000) 5.475 63.637 ( -70.709 -154.887 0.000) 170.264 ======================= Grid point 2 (3/228) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 16.322 -19.430 0.000) 25.376 1.321 ( 28.955 -10.061 0.000) 30.653 2.158 ( 43.468 -17.288 0.000) 46.779 2.836 ( 2.336 -1.065 0.000) 2.568 3.448 ( 20.777 -1.972 0.000) 20.871 4.345 ( -10.450 2.231 0.000) 10.685 5.147 ( -2.628 -21.439 0.000) 21.599 5.769 ( -1.674 5.627 0.000) 5.871 5.824 ( -0.166 0.849 0.000) 0.865 5.950 ( -6.450 -3.930 0.000) 7.553 6.137 ( -0.047 -5.711 0.000) 5.711 6.549 ( -1.918 -5.308 0.000) 5.644 7.065 ( 3.592 1.246 0.000) 3.802 7.173 ( -5.790 0.370 0.000) 5.802 7.830 ( -3.884 2.802 0.000) 4.789 7.987 ( -3.954 3.025 0.000) 4.978 8.844 ( -9.400 5.250 0.000) 10.766 9.073 ( -6.873 11.920 0.000) 13.760 9.523 ( 1.704 5.661 0.000) 5.912 9.624 ( -3.441 4.923 0.000) 6.006 10.287 ( 12.011 20.524 0.000) 23.780 10.739 ( 9.039 -8.607 0.000) 12.481 18.709 ( 1.961 -0.500 0.000) 2.023 19.135 ( 6.340 15.213 0.000) 16.481 19.290 ( 0.028 0.076 0.000) 0.081 19.744 ( -4.016 -0.427 0.000) 4.039 39.438 ( -0.091 1.388 0.000) 1.391 39.469 ( -1.252 1.653 0.000) 2.074 61.940 ( 1.643 -9.321 0.000) 9.464 63.578 ( -38.164 -77.978 0.000) 86.816 ======================= Grid point 3 (4/228) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 11.018 -12.014 0.000) 16.301 1.910 ( 25.751 -8.523 0.000) 27.125 2.655 ( -1.695 -10.475 0.000) 10.611 3.287 ( 41.916 -5.766 0.000) 42.311 3.859 ( 20.430 -3.067 0.000) 20.659 4.112 ( -12.447 1.600 0.000) 12.550 5.270 ( -0.828 -15.160 0.000) 15.183 5.706 ( -0.856 1.079 0.000) 1.377 5.813 ( 0.371 2.376 0.000) 2.405 5.903 ( -2.332 -3.171 0.000) 3.936 6.165 ( -1.841 -3.362 0.000) 3.833 6.540 ( -4.101 -8.652 0.000) 9.574 7.058 ( -6.323 -0.650 0.000) 6.356 7.158 ( 6.243 -1.187 0.000) 6.355 7.740 ( -4.285 -0.178 0.000) 4.289 7.876 ( -4.775 3.849 0.000) 6.133 8.617 ( -9.747 4.860 0.000) 10.892 8.764 ( -11.939 18.012 0.000) 21.609 9.485 ( 0.337 8.911 0.000) 8.917 9.518 ( -5.994 1.080 0.000) 6.090 10.336 ( 7.948 12.262 0.000) 14.613 10.994 ( 11.534 -4.837 0.000) 12.507 18.754 ( 2.289 -0.580 0.000) 2.361 19.128 ( 3.941 9.642 0.000) 10.416 19.289 ( -0.005 0.150 0.000) 0.150 19.667 ( -4.128 0.389 0.000) 4.147 39.424 ( -0.026 1.650 0.000) 1.650 39.430 ( -1.207 2.006 0.000) 2.341 62.058 ( 1.846 -11.007 0.000) 11.161 63.505 ( -26.599 -51.498 0.000) 57.961 ======================= Grid point 4 (5/228) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 5.154 -6.178 0.000) 8.046 2.411 ( 21.184 -6.302 0.000) 22.101 2.658 ( -3.366 -7.167 0.000) 7.918 3.868 ( -12.356 0.694 0.000) 12.376 4.053 ( 29.450 -4.584 0.000) 29.805 4.286 ( 24.994 -5.848 0.000) 25.669 5.349 ( -1.647 -9.252 0.000) 9.397 5.739 ( 3.161 -3.114 0.000) 4.437 5.777 ( -1.536 6.788 0.000) 6.960 5.893 ( -0.263 0.194 0.000) 0.327 6.113 ( -4.779 -2.585 0.000) 5.434 6.586 ( -0.022 -12.486 0.000) 12.486 6.960 ( -5.423 -2.924 0.000) 6.162 7.298 ( 6.304 -3.127 0.000) 7.037 7.681 ( -2.900 -1.560 0.000) 3.293 7.751 ( -5.020 4.043 0.000) 6.445 8.372 ( -13.503 17.346 0.000) 21.982 8.426 ( -7.087 2.322 0.000) 7.458 9.367 ( -9.261 1.134 0.000) 9.330 9.383 ( -2.009 12.001 0.000) 12.168 10.389 ( 6.049 6.358 0.000) 8.776 11.224 ( 10.074 -1.109 0.000) 10.135 18.801 ( 2.165 -0.560 0.000) 2.236 19.124 ( 2.613 6.347 0.000) 6.864 19.287 ( -0.044 0.207 0.000) 0.211 19.590 ( -3.542 0.536 0.000) 3.583 39.395 ( -0.767 1.881 0.000) 2.031 39.411 ( 0.073 1.558 0.000) 1.560 62.181 ( 1.673 -10.411 0.000) 10.545 63.439 ( -19.051 -36.177 0.000) 40.886 ======================= Grid point 5 (6/228) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.764 -2.860 0.000) 2.960 2.670 ( -0.929 -5.281 0.000) 5.362 2.790 ( 14.670 -3.321 0.000) 15.041 3.661 ( -9.142 -0.737 0.000) 9.172 4.439 ( 12.438 -5.035 0.000) 13.418 4.869 ( 27.849 -3.692 0.000) 28.092 5.367 ( -2.280 -5.219 0.000) 5.695 5.612 ( -7.754 9.882 0.000) 12.561 5.792 ( -2.587 -2.203 0.000) 3.398 5.933 ( 6.774 1.356 0.000) 6.909 6.101 ( 0.111 -5.193 0.000) 5.195 6.717 ( 2.553 -11.383 0.000) 11.666 6.917 ( -2.768 -6.099 0.000) 6.698 7.422 ( 3.849 -2.058 0.000) 4.365 7.631 ( -1.823 6.705 0.000) 6.949 7.634 ( -4.050 2.524 0.000) 4.772 8.026 ( -11.243 5.930 0.000) 12.711 8.331 ( -2.649 -1.887 0.000) 3.252 9.163 ( -10.625 2.373 0.000) 10.887 9.216 ( -4.267 13.928 0.000) 14.567 10.458 ( 4.836 1.840 0.000) 5.174 11.379 ( 6.620 1.467 0.000) 6.781 18.841 ( 1.674 -0.449 0.000) 1.733 19.121 ( 1.608 3.884 0.000) 4.204 19.285 ( -0.061 0.203 0.000) 0.212 19.530 ( -2.452 0.409 0.000) 2.486 39.372 ( -0.268 1.377 0.000) 1.403 39.401 ( 0.131 1.182 0.000) 1.190 62.285 ( 1.248 -7.972 0.000) 8.070 63.392 ( -12.498 -23.853 0.000) 26.929 ======================= Grid point 6 (7/228) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.489 -1.259 0.000) 1.351 2.699 ( 0.135 -2.809 0.000) 2.812 2.995 ( 5.677 -0.294 0.000) 5.684 3.562 ( -2.604 -2.067 0.000) 3.325 4.652 ( 6.345 -4.038 0.000) 7.521 5.284 ( 13.235 3.637 0.000) 13.726 5.384 ( 1.208 -7.537 0.000) 7.633 5.392 ( -6.942 6.533 0.000) 9.533 5.726 ( -3.260 1.292 0.000) 3.507 6.055 ( 5.206 -0.464 0.000) 5.227 6.166 ( 1.947 -3.723 0.000) 4.201 6.838 ( 1.938 -6.640 0.000) 6.917 6.958 ( 0.189 -8.610 0.000) 8.612 7.448 ( -0.496 2.117 0.000) 2.174 7.462 ( -4.126 16.708 0.000) 17.210 7.587 ( -0.610 -1.341 0.000) 1.473 7.905 ( -3.564 -6.152 0.000) 7.110 8.356 ( 1.341 -5.609 0.000) 5.767 8.961 ( -7.896 2.520 0.000) 8.288 9.015 ( -4.742 12.228 0.000) 13.116 10.529 ( 3.042 -0.398 0.000) 3.068 11.452 ( 2.950 1.887 0.000) 3.502 18.869 ( 0.911 -0.253 0.000) 0.945 19.119 ( 0.747 1.838 0.000) 1.984 19.282 ( -0.043 0.125 0.000) 0.132 19.493 ( -1.202 0.209 0.000) 1.220 39.361 ( -0.008 0.703 0.000) 0.703 39.396 ( 0.101 0.630 0.000) 0.638 62.354 ( 0.665 -4.294 0.000) 4.345 63.365 ( -6.211 -11.996 0.000) 13.508 ======================= Grid point 7 (8/228) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 -0.000 0.000) 0.000 3.559 ( 0.000 -0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 -0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 -0.000 0.000) 0.000 6.204 ( 0.000 -0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 -0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 -0.000 0.000) 0.000 7.592 ( 0.000 -0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 -0.000 0.000) 0.000 8.901 ( 0.000 -0.000 0.000) 0.000 10.562 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 -0.000 0.000) 0.000 18.878 ( 0.000 0.000 0.000) 0.000 19.119 ( 0.000 -0.000 0.000) 0.000 19.281 ( 0.000 -0.000 0.000) 0.000 19.481 ( 0.000 0.000 0.000) 0.000 39.359 ( 0.000 -0.000 0.000) 0.000 39.394 ( 0.000 -0.000 0.000) 0.000 62.379 ( 0.000 -0.000 0.000) 0.000 63.357 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/228) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 25.287 -0.000 0.000) 25.287 1.235 ( 31.565 -0.000 0.000) 31.565 2.009 ( 45.611 -0.000 0.000) 45.611 2.844 ( 4.637 -0.000 0.000) 4.637 3.421 ( 20.094 -0.000 0.000) 20.094 4.363 ( -11.158 0.000 0.000) 11.158 4.917 ( 3.398 -0.000 0.000) 3.398 5.828 ( -0.254 0.000 0.000) 0.254 5.844 ( 0.452 -0.000 0.000) 0.452 5.891 ( -10.305 0.000 0.000) 10.305 6.090 ( 1.448 -0.000 0.000) 1.448 6.504 ( -1.996 0.000 0.000) 1.996 7.077 ( 2.875 -0.000 0.000) 2.875 7.175 ( -6.045 0.000 0.000) 6.045 7.853 ( -6.380 0.000 0.000) 6.380 8.012 ( -4.111 0.000 0.000) 4.111 8.889 ( -10.021 0.000 0.000) 10.021 9.180 ( -3.926 0.000 0.000) 3.926 9.570 ( 1.892 -0.000 0.000) 1.892 9.671 ( -7.885 0.000 0.000) 7.885 10.506 ( 1.862 -0.000 0.000) 1.862 10.658 ( 13.207 -0.000 0.000) 13.207 18.705 ( 2.006 -0.000 0.000) 2.006 19.291 ( 0.034 -0.000 0.000) 0.034 19.314 ( -0.300 0.000 0.000) 0.300 19.725 ( -3.469 0.000 0.000) 3.469 39.450 ( -0.145 0.000 0.000) 0.145 39.491 ( -1.000 0.000 0.000) 1.000 61.861 ( 2.182 -0.000 0.000) 2.182 62.744 ( -4.095 0.000 0.000) 4.095 ======================= Grid point 17 (10/228) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 20.864 -2.189 0.000) 20.979 1.811 ( 28.309 -3.198 0.000) 28.490 2.514 ( 4.638 -5.081 0.000) 6.880 3.246 ( 39.572 -0.252 0.000) 39.573 3.802 ( 18.568 -2.871 0.000) 18.789 4.128 ( -13.368 0.407 0.000) 13.374 5.046 ( 4.975 -8.985 0.000) 10.270 5.722 ( -5.539 0.643 0.000) 5.576 5.828 ( 0.440 -0.106 0.000) 0.452 5.865 ( 0.735 -1.247 0.000) 1.448 6.133 ( 2.321 -0.467 0.000) 2.367 6.435 ( -6.632 -3.576 0.000) 7.534 7.044 ( -7.925 -0.627 0.000) 7.949 7.152 ( 5.218 0.012 0.000) 5.218 7.724 ( -7.499 -0.948 0.000) 7.559 7.919 ( -5.127 1.348 0.000) 5.301 8.676 ( -11.220 1.986 0.000) 11.394 9.023 ( -8.632 10.398 0.000) 13.514 9.503 ( -10.022 -1.898 0.000) 10.200 9.585 ( 0.746 3.110 0.000) 3.199 10.510 ( 2.558 6.791 0.000) 7.257 10.936 ( 14.636 -1.969 0.000) 14.768 18.747 ( 2.383 -0.200 0.000) 2.391 19.278 ( 0.467 6.551 0.000) 6.568 19.291 ( -0.001 0.038 0.000) 0.038 19.657 ( -4.340 -1.089 0.000) 4.475 39.444 ( -0.170 0.671 0.000) 0.692 39.464 ( -1.088 1.487 0.000) 1.843 61.930 ( 3.193 -4.167 0.000) 5.250 62.790 ( -7.222 -27.496 0.000) 28.429 ======================= Grid point 18 (11/228) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 14.307 3.500 0.000) 14.729 2.327 ( 23.743 -3.660 0.000) 24.023 2.544 ( -2.425 -5.608 0.000) 6.110 3.873 ( -13.277 0.132 0.000) 13.278 4.009 ( 33.823 -1.013 0.000) 33.838 4.166 ( 19.632 -7.720 0.000) 21.095 5.207 ( 4.222 -7.292 0.000) 8.426 5.692 ( 1.358 -2.184 0.000) 2.572 5.846 ( 1.544 1.061 0.000) 1.873 5.902 ( 2.971 0.468 0.000) 3.007 6.112 ( -5.367 3.688 0.000) 6.512 6.391 ( -1.777 -11.056 0.000) 11.198 6.905 ( -8.194 -2.988 0.000) 8.722 7.265 ( 6.130 -1.087 0.000) 6.225 7.604 ( -7.545 -5.221 0.000) 9.175 7.803 ( -5.666 2.216 0.000) 6.084 8.464 ( -9.181 1.989 0.000) 9.394 8.705 ( -11.249 19.745 0.000) 22.725 9.333 ( -11.566 -4.962 0.000) 12.585 9.538 ( -1.572 6.567 0.000) 6.753 10.504 ( 2.823 6.457 0.000) 7.048 11.205 ( 12.226 -1.119 0.000) 12.277 18.794 ( 2.301 -0.286 0.000) 2.319 19.235 ( 0.701 6.448 0.000) 6.486 19.290 ( -0.068 0.082 0.000) 0.106 19.586 ( -4.121 -1.003 0.000) 4.241 39.430 ( -0.846 2.043 0.000) 2.211 39.433 ( -0.163 1.060 0.000) 1.072 62.040 ( 3.813 -6.267 0.000) 7.336 62.888 ( -6.473 -27.470 0.000) 28.223 ======================= Grid point 19 (12/228) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 8.451 8.797 0.000) 12.199 2.565 ( -0.451 -6.531 0.000) 6.547 2.743 ( 17.786 -2.268 0.000) 17.930 3.647 ( -10.725 -0.776 0.000) 10.753 4.370 ( 11.810 -3.470 0.000) 12.310 4.761 ( 27.718 -8.327 0.000) 28.942 5.309 ( 2.865 -1.981 0.000) 3.483 5.760 ( 2.222 -1.572 0.000) 2.722 5.778 ( -7.464 9.639 0.000) 12.190 5.970 ( 5.763 2.541 0.000) 6.298 6.005 ( -1.677 -5.725 0.000) 5.965 6.524 ( 4.552 -11.382 0.000) 12.259 6.803 ( -6.540 -6.614 0.000) 9.301 7.385 ( 5.107 -1.878 0.000) 5.441 7.548 ( -5.215 -11.019 0.000) 12.191 7.676 ( -5.748 2.300 0.000) 6.191 8.314 ( -10.931 23.142 0.000) 25.593 8.319 ( -5.145 0.136 0.000) 5.147 9.148 ( -12.320 -4.383 0.000) 13.077 9.416 ( -4.247 9.880 0.000) 10.754 10.515 ( 3.224 4.375 0.000) 5.435 11.395 ( 7.621 0.480 0.000) 7.636 18.835 ( 1.857 -0.266 0.000) 1.876 19.198 ( 0.422 5.165 0.000) 5.182 19.287 ( -0.132 0.095 0.000) 0.163 19.525 ( -3.125 -0.965 0.000) 3.271 39.401 ( -0.468 1.954 0.000) 2.009 39.421 ( -0.168 1.116 0.000) 1.128 62.166 ( 4.012 -6.149 0.000) 7.342 63.005 ( -2.485 -21.556 0.000) 21.699 ======================= Grid point 20 (13/228) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 6.530 11.571 0.000) 13.287 2.624 ( 0.895 -5.660 0.000) 5.730 3.004 ( 8.977 1.238 0.000) 9.062 3.515 ( -4.406 -3.315 0.000) 5.514 4.586 ( 8.031 -3.871 0.000) 8.915 5.224 ( 11.957 -9.203 0.000) 15.088 5.370 ( 6.594 4.321 0.000) 7.884 5.514 ( -10.410 7.755 0.000) 12.981 5.757 ( -2.046 1.966 0.000) 2.838 6.064 ( 5.213 1.568 0.000) 5.443 6.083 ( 2.874 -5.980 0.000) 6.635 6.710 ( 5.895 -8.491 0.000) 10.336 6.779 ( -3.610 -10.568 0.000) 11.167 7.465 ( 1.389 -0.167 0.000) 1.399 7.570 ( -3.541 -0.298 0.000) 3.554 7.588 ( -1.182 -10.657 0.000) 10.723 7.948 ( -8.363 19.290 0.000) 21.025 8.278 ( -0.562 -3.324 0.000) 3.371 8.962 ( -10.154 -2.829 0.000) 10.540 9.225 ( -6.241 12.029 0.000) 13.552 10.551 ( 3.524 2.638 0.000) 4.403 11.479 ( 2.391 1.379 0.000) 2.761 18.865 ( 1.143 -0.140 0.000) 1.152 19.166 ( -0.068 3.613 0.000) 3.614 19.284 ( -0.161 0.048 0.000) 0.168 19.487 ( -1.861 -1.004 0.000) 2.114 39.381 ( -0.209 1.526 0.000) 1.541 39.409 ( -0.226 0.881 0.000) 0.910 62.283 ( 3.842 -4.137 0.000) 5.646 63.152 ( 2.951 -13.134 0.000) 13.461 ======================= Grid point 21 (14/228) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 7.384 13.603 0.000) 15.477 2.679 ( 0.697 -3.660 0.000) 3.725 3.064 ( 0.830 3.056 0.000) 3.166 3.527 ( 0.951 -3.698 0.000) 3.819 4.718 ( 3.155 -1.522 0.000) 3.503 5.310 ( -2.552 -2.818 0.000) 3.802 5.320 ( -4.609 2.996 0.000) 5.497 5.525 ( 7.889 4.428 0.000) 9.047 5.689 ( -2.706 0.284 0.000) 2.721 6.113 ( 0.658 0.570 0.000) 0.871 6.173 ( 1.808 -3.679 0.000) 4.099 6.830 ( -2.411 -14.218 0.000) 14.421 6.861 ( 4.804 -2.775 0.000) 5.548 7.430 ( -2.663 0.371 0.000) 2.688 7.544 ( -2.719 15.548 0.000) 15.784 7.571 ( 0.559 -2.306 0.000) 2.373 7.816 ( 0.483 -7.752 0.000) 7.767 8.342 ( 2.410 -6.221 0.000) 6.672 8.848 ( -3.587 -2.816 0.000) 4.560 9.008 ( -6.059 10.540 0.000) 12.157 10.588 ( 2.351 2.949 0.000) 3.771 11.473 ( -1.890 0.350 0.000) 1.922 18.879 ( 0.262 0.077 0.000) 0.273 19.136 ( -0.655 2.006 0.000) 2.110 19.281 ( -0.144 -0.060 0.000) 0.156 19.472 ( -0.643 -1.098 0.000) 1.273 39.367 ( -0.150 0.979 0.000) 0.990 39.398 ( -0.335 0.441 0.000) 0.553 62.372 ( 3.380 -0.766 0.000) 3.466 63.329 ( 8.853 -3.083 0.000) 9.374 ======================= Grid point 22 (15/228) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 8.360 15.859 0.000) 17.928 2.707 ( 0.109 -1.583 0.000) 1.586 3.016 ( -4.002 2.285 0.000) 4.608 3.574 ( 2.393 -0.864 0.000) 2.544 4.710 ( -3.788 2.626 0.000) 4.609 5.221 ( -11.599 -3.418 0.000) 12.092 5.311 ( 3.430 -3.098 0.000) 4.622 5.500 ( -1.864 6.115 0.000) 6.393 5.726 ( 5.950 1.520 0.000) 6.141 6.072 ( -4.309 1.283 0.000) 4.496 6.197 ( -0.880 -0.150 0.000) 0.893 6.898 ( -3.995 -14.891 0.000) 15.418 6.924 ( 2.265 3.818 0.000) 4.439 7.406 ( -0.663 -2.676 0.000) 2.757 7.409 ( 2.225 10.410 0.000) 10.646 7.595 ( 0.518 -0.703 0.000) 0.873 7.922 ( 3.482 -5.083 0.000) 6.161 8.414 ( 0.517 -0.599 0.000) 0.792 8.886 ( -1.045 -1.264 0.000) 1.640 8.894 ( 4.776 -5.252 0.000) 7.099 10.571 ( -1.132 4.633 0.000) 4.769 11.420 ( -4.273 -2.016 0.000) 4.724 18.874 ( -0.653 0.337 0.000) 0.735 19.107 ( -1.421 0.334 0.000) 1.460 19.280 ( -0.095 -0.196 0.000) 0.218 19.481 ( 0.539 -1.263 0.000) 1.373 39.359 ( -0.098 0.392 0.000) 0.404 39.390 ( -0.435 -0.128 0.000) 0.454 62.418 ( 2.716 3.367 0.000) 4.326 63.531 ( 14.811 7.905 0.000) 16.788 ======================= Grid point 23 (16/228) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 7.709 18.083 0.000) 19.658 2.718 ( 0.790 0.250 0.000) 0.828 2.849 ( -11.549 3.870 0.000) 12.181 3.664 ( 7.219 -0.558 0.000) 7.240 4.532 ( -11.537 5.822 0.000) 12.923 4.881 ( -26.186 -1.350 0.000) 26.221 5.468 ( 7.470 -7.319 0.000) 10.458 5.470 ( 3.820 6.450 0.000) 7.496 5.832 ( 6.781 2.931 0.000) 7.387 5.939 ( -7.935 1.978 0.000) 8.178 6.161 ( -1.317 1.922 0.000) 2.330 6.886 ( -0.258 9.032 0.000) 9.036 6.921 ( -2.978 -8.650 0.000) 9.149 7.429 ( -0.426 -1.686 0.000) 1.739 7.468 ( 5.536 -3.936 0.000) 6.793 7.607 ( 1.019 -0.638 0.000) 1.202 8.031 ( 6.614 -0.206 0.000) 6.617 8.384 ( 0.030 4.139 0.000) 4.140 8.984 ( 3.046 -13.150 0.000) 13.499 9.081 ( 8.762 -7.052 0.000) 11.247 10.472 ( -5.347 3.846 0.000) 6.587 11.347 ( -5.634 -2.390 0.000) 6.120 18.850 ( -1.447 0.583 0.000) 1.560 19.076 ( -2.427 -1.501 0.000) 2.853 19.280 ( -0.041 -0.309 0.000) 0.312 19.513 ( 1.730 -1.521 0.000) 2.304 39.359 ( 0.246 -0.206 0.000) 0.321 39.385 ( -0.456 -0.756 0.000) 0.883 62.417 ( 1.936 7.660 0.000) 7.901 63.751 ( 20.891 19.178 0.000) 28.359 ======================= Grid point 24 (17/228) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 3.911 20.013 0.000) 20.392 2.526 ( -17.755 7.439 0.000) 19.250 2.747 ( 3.904 2.898 0.000) 4.862 3.845 ( 10.448 -2.198 0.000) 10.677 4.157 ( -25.743 7.595 0.000) 26.840 4.346 ( -26.812 1.813 0.000) 26.873 5.498 ( 4.696 8.523 0.000) 9.731 5.657 ( 5.136 -7.055 0.000) 8.727 5.775 ( -7.073 1.082 0.000) 7.155 5.917 ( 4.959 3.396 0.000) 6.011 6.150 ( 2.193 1.136 0.000) 2.469 6.789 ( -0.213 11.796 0.000) 11.798 6.959 ( 1.253 -4.881 0.000) 5.039 7.365 ( -4.968 4.430 0.000) 6.656 7.611 ( 3.588 -7.058 0.000) 7.918 7.676 ( 3.708 -4.670 0.000) 5.963 8.208 ( 11.214 -4.156 0.000) 11.960 8.402 ( 4.038 -0.198 0.000) 4.042 9.157 ( 2.243 -15.038 0.000) 15.204 9.299 ( 7.592 -6.897 0.000) 10.257 10.324 ( -8.913 -0.965 0.000) 8.965 11.240 ( -6.667 0.800 0.000) 6.715 18.812 ( -1.975 0.770 0.000) 2.120 19.041 ( -3.646 -3.575 0.000) 5.107 19.283 ( -0.008 -0.357 0.000) 0.357 19.570 ( 2.756 -1.868 0.000) 3.330 39.374 ( 0.991 -0.685 0.000) 1.205 39.386 ( -0.364 -1.363 0.000) 1.410 62.366 ( 1.113 11.510 0.000) 11.564 63.998 ( 27.695 30.422 0.000) 41.140 ======================= Grid point 25 (18/228) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -2.046 22.214 0.000) 22.308 2.078 ( -21.686 11.476 0.000) 24.536 2.808 ( 6.398 7.151 0.000) 9.595 3.443 ( -38.420 12.367 0.000) 40.361 3.896 ( -22.157 1.907 0.000) 22.239 4.069 ( 10.518 -3.767 0.000) 11.173 5.478 ( 1.473 9.532 0.000) 9.645 5.696 ( -1.141 -0.021 0.000) 1.141 5.757 ( 1.228 -3.997 0.000) 4.181 5.963 ( 3.524 3.911 0.000) 5.264 6.215 ( 4.720 1.662 0.000) 5.004 6.707 ( 1.998 11.255 0.000) 11.431 7.043 ( 3.985 -3.295 0.000) 5.171 7.206 ( -7.107 4.863 0.000) 8.611 7.706 ( 2.199 -3.933 0.000) 4.506 7.796 ( 4.132 -5.705 0.000) 7.045 8.510 ( 13.044 -11.915 0.000) 17.667 8.532 ( 7.181 -4.985 0.000) 8.742 9.298 ( 0.251 -13.424 0.000) 13.427 9.458 ( 3.491 -6.132 0.000) 7.056 10.160 ( -12.696 -8.105 0.000) 15.062 11.088 ( -6.290 6.328 0.000) 8.922 18.766 ( -2.131 0.885 0.000) 2.308 18.998 ( -5.241 -5.900 0.000) 7.892 19.286 ( -0.004 -0.323 0.000) 0.323 19.644 ( 3.339 -2.212 0.000) 4.005 39.394 ( -0.199 -1.839 0.000) 1.850 39.407 ( 1.897 -0.775 0.000) 2.049 62.272 ( 0.329 14.287 0.000) 14.291 64.296 ( 36.772 41.975 0.000) 55.804 ======================= Grid point 26 (19/228) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -10.427 23.869 0.000) 26.047 1.542 ( -23.403 15.922 0.000) 28.305 2.533 ( -34.063 26.797 0.000) 43.340 2.906 ( 3.510 6.985 0.000) 7.818 3.470 ( -21.723 0.993 0.000) 21.746 4.286 ( 8.601 -4.974 0.000) 9.935 5.432 ( 2.894 10.410 0.000) 10.805 5.698 ( 0.138 -1.832 0.000) 1.837 5.794 ( 0.387 -2.523 0.000) 2.553 6.004 ( 4.254 2.659 0.000) 5.017 6.257 ( 3.533 7.518 0.000) 8.307 6.670 ( 2.044 9.140 0.000) 9.366 7.053 ( -5.872 0.646 0.000) 5.907 7.154 ( 5.376 -2.236 0.000) 5.823 7.769 ( 0.844 -4.041 0.000) 4.128 7.915 ( 3.537 -5.543 0.000) 6.575 8.730 ( 7.701 -8.031 0.000) 11.127 8.848 ( 10.669 -13.858 0.000) 17.489 9.387 ( -1.218 -10.700 0.000) 10.769 9.529 ( -1.201 -6.528 0.000) 6.638 9.978 ( -17.392 -15.361 0.000) 23.204 10.914 ( -3.874 12.033 0.000) 12.641 18.721 ( -1.844 0.917 0.000) 2.060 18.937 ( -7.835 -8.273 0.000) 11.394 19.288 ( -0.017 -0.231 0.000) 0.231 19.726 ( 3.256 -2.383 0.000) 4.034 39.408 ( -0.045 -2.067 0.000) 2.068 39.454 ( 2.509 -0.265 0.000) 2.523 62.149 ( -0.267 15.335 0.000) 15.338 64.713 ( 51.913 54.210 0.000) 75.058 ======================= Grid point 27 (20/228) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -20.825 21.943 0.000) 30.251 1.018 ( -25.112 20.223 0.000) 32.243 1.680 ( -21.691 46.618 0.000) 51.418 2.930 ( 4.555 8.789 0.000) 9.899 3.109 ( -14.945 0.775 0.000) 14.965 4.461 ( 5.202 -5.496 0.000) 7.568 5.431 ( 8.498 12.676 0.000) 15.261 5.730 ( -0.512 -6.503 0.000) 6.523 5.818 ( 0.255 -1.693 0.000) 1.712 6.079 ( 4.459 0.068 0.000) 4.459 6.229 ( 1.965 11.436 0.000) 11.604 6.608 ( -0.889 7.613 0.000) 7.664 6.996 ( -1.808 -3.284 0.000) 3.749 7.279 ( 7.143 0.122 0.000) 7.144 7.778 ( -5.949 -6.462 0.000) 8.783 8.013 ( 2.163 -4.775 0.000) 5.242 8.925 ( 5.094 -8.605 0.000) 9.999 9.092 ( 4.677 -8.921 0.000) 10.073 9.438 ( -1.293 -7.844 0.000) 7.950 9.536 ( -6.556 -11.440 0.000) 13.185 9.763 ( -18.808 -16.745 0.000) 25.182 10.757 ( -0.970 14.997 0.000) 15.029 18.685 ( -1.096 0.837 0.000) 1.379 18.826 ( -12.051 -8.708 0.000) 14.868 19.289 ( -0.019 -0.129 0.000) 0.130 19.799 ( 2.386 -2.319 0.000) 3.327 39.425 ( 0.025 -1.960 0.000) 1.960 39.499 ( 2.341 0.638 0.000) 2.426 62.019 ( -0.440 14.116 0.000) 14.123 65.436 ( 78.703 57.835 0.000) 97.668 ======================= Grid point 28 (21/228) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -0.000 25.670 0.000) 25.670 0.499 ( -0.000 29.978 0.000) 29.978 1.019 ( -0.000 61.178 0.000) 61.178 2.914 ( -0.000 8.432 0.000) 8.432 2.951 ( 0.000 -0.358 0.000) 0.358 4.555 ( 0.000 -4.448 0.000) 4.448 5.558 ( -0.000 0.079 0.000) 0.079 5.776 ( 0.000 -6.993 0.000) 6.993 5.831 ( 0.000 -0.866 0.000) 0.866 6.135 ( 0.000 -1.105 0.000) 1.105 6.153 ( -0.000 9.905 0.000) 9.905 6.544 ( -0.000 4.852 0.000) 4.852 7.010 ( 0.000 -3.004 0.000) 3.004 7.437 ( 0.000 -1.189 0.000) 1.189 7.601 ( -0.000 1.560 0.000) 1.560 8.068 ( 0.000 -3.426 0.000) 3.426 9.039 ( 0.000 -6.709 0.000) 6.709 9.179 ( 0.000 -3.657 0.000) 3.657 9.397 ( 0.000 -2.903 0.000) 2.903 9.478 ( 0.000 -5.219 0.000) 5.219 9.715 ( 0.000 -11.144 0.000) 11.144 10.631 ( -0.000 13.407 0.000) 13.407 18.669 ( -0.000 0.616 0.000) 0.616 18.673 ( -0.000 0.460 0.000) 0.460 19.289 ( 0.000 -0.058 0.000) 0.058 19.845 ( 0.000 -2.188 0.000) 2.188 39.440 ( 0.000 -1.507 0.000) 1.507 39.520 ( -0.000 0.877 0.000) 0.877 61.910 ( -0.000 10.558 0.000) 10.558 66.440 ( 0.000 -0.351 0.000) 0.351 ======================= Grid point 31 (22/228) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 17.720 -0.000 0.000) 17.720 2.297 ( 24.704 -0.000 0.000) 24.704 2.497 ( -1.846 0.000 0.000) 1.846 3.874 ( -13.522 0.000 0.000) 13.522 4.006 ( 38.834 -0.000 0.000) 38.834 4.087 ( 13.703 -0.000 0.000) 13.703 5.141 ( 7.685 -0.000 0.000) 7.685 5.674 ( 1.129 -0.000 0.000) 1.129 5.844 ( 1.532 -0.000 0.000) 1.532 5.906 ( 3.711 -0.000 0.000) 3.711 6.213 ( 5.565 -0.000 0.000) 5.565 6.236 ( -12.396 0.000 0.000) 12.396 6.878 ( -9.131 0.000 0.000) 9.131 7.257 ( 5.905 -0.000 0.000) 5.905 7.557 ( -9.455 0.000 0.000) 9.455 7.822 ( -5.875 0.000 0.000) 5.875 8.482 ( -9.931 0.000 0.000) 9.931 8.905 ( -9.211 0.000 0.000) 9.211 9.260 ( -13.906 0.000 0.000) 13.906 9.593 ( -1.382 0.000 0.000) 1.382 10.564 ( 1.130 -0.000 0.000) 1.130 11.194 ( 13.001 -0.000 0.000) 13.001 18.791 ( 2.350 -0.000 0.000) 2.350 19.290 ( -0.074 0.000 0.000) 0.074 19.298 ( -0.581 0.000 0.000) 0.581 19.572 ( -4.214 0.000 0.000) 4.214 39.442 ( -0.255 0.000 0.000) 0.255 39.449 ( -1.051 0.000 0.000) 1.051 61.987 ( 4.623 -0.000 0.000) 4.623 62.644 ( 0.438 -0.000 0.000) 0.438 ======================= Grid point 32 (23/228) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 11.859 5.760 0.000) 13.184 2.486 ( 0.200 -2.479 0.000) 2.487 2.717 ( 19.723 -0.811 0.000) 19.740 3.638 ( -11.574 -0.277 0.000) 11.578 4.322 ( 10.910 -2.053 0.000) 11.101 4.648 ( 27.462 -4.060 0.000) 27.761 5.292 ( 7.885 -0.374 0.000) 7.894 5.742 ( 4.307 -0.544 0.000) 4.341 5.884 ( 1.055 1.121 0.000) 1.539 5.959 ( -12.831 1.774 0.000) 12.953 6.000 ( 6.541 0.943 0.000) 6.608 6.369 ( 7.411 -6.188 0.000) 9.655 6.723 ( -8.020 -2.632 0.000) 8.441 7.365 ( 5.222 -0.593 0.000) 5.255 7.398 ( -8.950 -5.383 0.000) 10.444 7.703 ( -6.391 0.849 0.000) 6.447 8.325 ( -6.474 0.295 0.000) 6.481 8.662 ( -9.476 16.404 0.000) 18.945 9.027 ( -14.626 -8.949 0.000) 17.147 9.528 ( -4.071 3.532 0.000) 5.389 10.576 ( 1.630 2.287 0.000) 2.808 11.397 ( 8.338 -0.037 0.000) 8.338 18.832 ( 1.958 -0.086 0.000) 1.960 19.272 ( -0.696 2.952 0.000) 3.033 19.288 ( -0.166 0.025 0.000) 0.168 19.504 ( -3.463 -1.137 0.000) 3.645 39.428 ( -0.795 0.970 0.000) 1.254 39.435 ( -0.354 0.460 0.000) 0.580 62.094 ( 5.637 -2.325 0.000) 6.098 62.741 ( 5.129 -8.978 0.000) 10.340 ======================= Grid point 33 (24/228) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 8.792 10.850 0.000) 13.965 2.544 ( 3.072 -2.967 0.000) 4.271 3.027 ( 12.976 1.369 0.000) 13.048 3.465 ( -7.336 -2.420 0.000) 7.725 4.527 ( 8.655 -3.110 0.000) 9.197 5.080 ( 13.431 -7.145 0.000) 15.214 5.441 ( 9.986 3.687 0.000) 10.645 5.629 ( -13.483 5.663 0.000) 14.624 5.781 ( -1.010 0.923 0.000) 1.368 5.989 ( 3.472 -4.777 0.000) 5.906 6.101 ( 4.655 2.404 0.000) 5.239 6.581 ( 9.395 -6.370 0.000) 11.351 6.643 ( -4.006 -5.586 0.000) 6.874 7.350 ( -3.876 -13.603 0.000) 14.145 7.452 ( 3.152 -0.900 0.000) 3.278 7.575 ( -6.285 0.604 0.000) 6.314 8.244 ( -2.324 -1.049 0.000) 2.550 8.316 ( -9.691 22.085 0.000) 24.117 8.859 ( -11.604 -9.686 0.000) 15.115 9.385 ( -6.518 6.956 0.000) 9.533 10.599 ( 3.195 2.660 0.000) 4.158 11.496 ( 2.322 0.576 0.000) 2.392 18.864 ( 1.302 -0.053 0.000) 1.304 19.229 ( -0.958 3.598 0.000) 3.724 19.284 ( -0.237 0.006 0.000) 0.237 19.463 ( -2.260 -1.711 0.000) 2.835 39.406 ( -0.523 1.296 0.000) 1.397 39.422 ( -0.475 0.638 0.000) 0.796 62.226 ( 6.127 -2.570 0.000) 6.644 62.963 ( 10.523 -8.875 0.000) 13.766 ======================= Grid point 34 (25/228) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 9.964 13.822 0.000) 17.039 2.627 ( 3.644 -0.896 0.000) 3.753 3.134 ( 1.597 5.283 0.000) 5.519 3.446 ( 1.215 -5.915 0.000) 6.038 4.681 ( 4.661 -2.847 0.000) 5.462 5.250 ( 0.354 -4.086 0.000) 4.102 5.381 ( -7.994 3.944 0.000) 8.914 5.614 ( 11.797 5.670 0.000) 13.089 5.695 ( -6.162 0.608 0.000) 6.192 6.095 ( 2.929 -5.221 0.000) 5.986 6.127 ( 0.100 1.047 0.000) 1.052 6.645 ( -2.443 -7.447 0.000) 7.837 6.804 ( 9.458 -3.629 0.000) 10.130 7.438 ( -4.722 0.607 0.000) 4.761 7.468 ( 1.633 -17.050 0.000) 17.128 7.527 ( 0.605 -2.645 0.000) 2.713 7.972 ( -7.657 19.727 0.000) 21.161 8.255 ( 1.204 -3.861 0.000) 4.044 8.765 ( -5.609 -7.494 0.000) 9.360 9.181 ( -7.837 9.253 0.000) 12.126 10.647 ( 4.339 3.745 0.000) 5.732 11.478 ( -3.461 0.251 0.000) 3.470 18.880 ( 0.470 0.096 0.000) 0.480 19.179 ( -1.401 3.001 0.000) 3.312 19.280 ( -0.258 -0.075 0.000) 0.269 19.447 ( -1.038 -1.854 0.000) 2.124 39.387 ( -0.377 1.244 0.000) 1.300 39.407 ( -0.612 0.551 0.000) 0.823 62.357 ( 6.108 -0.956 0.000) 6.182 63.268 ( 16.283 -3.893 0.000) 16.742 ======================= Grid point 35 (26/228) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 12.306 17.375 0.000) 21.292 2.682 ( 2.145 1.187 0.000) 2.451 3.066 ( -4.118 3.674 0.000) 5.519 3.535 ( 3.309 -3.574 0.000) 4.871 4.725 ( -2.117 -1.069 0.000) 2.371 5.179 ( -10.974 -1.735 0.000) 11.110 5.292 ( 0.602 0.506 0.000) 0.786 5.568 ( -3.832 1.806 0.000) 4.237 5.783 ( 9.974 5.358 0.000) 11.322 6.092 ( -3.186 1.082 0.000) 3.365 6.164 ( 0.188 -3.580 0.000) 3.585 6.659 ( -4.301 -11.426 0.000) 12.209 6.969 ( 6.843 1.862 0.000) 7.091 7.366 ( -2.839 -2.061 0.000) 3.508 7.564 ( 0.779 -2.752 0.000) 2.861 7.584 ( -0.624 1.444 0.000) 1.573 7.800 ( 1.712 -1.448 0.000) 2.242 8.340 ( 2.703 -6.282 0.000) 6.839 8.790 ( 1.868 -7.463 0.000) 7.693 8.964 ( -6.914 8.094 0.000) 10.645 10.672 ( 2.212 7.151 0.000) 7.485 11.385 ( -6.567 -2.207 0.000) 6.928 18.879 ( -0.423 0.330 0.000) 0.536 19.127 ( -2.099 1.867 0.000) 2.809 19.276 ( -0.224 -0.207 0.000) 0.305 19.454 ( 0.118 -1.914 0.000) 1.918 39.372 ( -0.248 1.000 0.000) 1.030 39.391 ( -0.722 0.250 0.000) 0.764 62.463 ( 5.656 2.051 0.000) 6.017 63.625 ( 21.784 3.775 0.000) 22.109 ======================= Grid point 36 (27/228) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 13.950 24.307 0.000) 28.026 2.693 ( -0.206 -1.289 0.000) 1.305 2.914 ( -9.404 3.797 0.000) 10.142 3.637 ( 5.454 -2.697 0.000) 6.085 4.607 ( -10.251 2.371 0.000) 10.521 4.860 ( -23.480 -0.342 0.000) 23.483 5.382 ( 7.148 -2.957 0.000) 7.736 5.547 ( 2.915 2.198 0.000) 3.651 5.905 ( 8.058 6.021 0.000) 10.059 5.981 ( -6.922 2.763 0.000) 7.453 6.162 ( -2.206 -1.718 0.000) 2.796 6.689 ( -3.740 -15.243 0.000) 15.695 7.016 ( 2.298 6.940 0.000) 7.310 7.378 ( 1.084 -3.790 0.000) 3.942 7.530 ( 2.635 7.685 0.000) 8.124 7.594 ( 0.325 -1.488 0.000) 1.523 7.947 ( 5.513 -9.278 0.000) 10.792 8.419 ( 0.976 -1.854 0.000) 2.096 8.841 ( -2.227 -2.349 0.000) 3.237 8.945 ( 6.663 -9.203 0.000) 11.362 10.583 ( -4.729 9.256 0.000) 10.394 11.299 ( -4.989 -3.652 0.000) 6.183 18.860 ( -1.224 0.597 0.000) 1.362 19.069 ( -3.052 0.492 0.000) 3.091 19.275 ( -0.156 -0.350 0.000) 0.383 19.483 ( 1.216 -2.090 0.000) 2.418 39.363 ( 0.153 0.614 0.000) 0.633 39.377 ( -0.743 -0.212 0.000) 0.773 62.529 ( 4.872 5.896 0.000) 7.648 64.012 ( 26.824 12.488 0.000) 29.589 ======================= Grid point 37 (28/228) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 7.649 28.307 0.000) 29.322 2.648 ( -14.216 7.082 0.000) 15.883 2.745 ( 4.640 -2.797 0.000) 5.418 3.790 ( 7.622 -4.510 0.000) 8.857 4.275 ( -24.998 5.682 0.000) 25.636 4.376 ( -22.959 2.768 0.000) 23.125 5.563 ( 7.882 -3.936 0.000) 8.810 5.608 ( 5.344 3.889 0.000) 6.609 5.801 ( -8.566 3.070 0.000) 9.099 5.988 ( 5.242 4.655 0.000) 7.011 6.141 ( -0.643 -2.162 0.000) 2.255 6.780 ( 0.204 -14.814 0.000) 14.816 6.967 ( 0.459 9.699 0.000) 9.710 7.416 ( -0.504 0.906 0.000) 1.037 7.572 ( 5.594 2.588 0.000) 6.164 7.612 ( 1.006 -2.670 0.000) 2.853 8.130 ( 7.216 -7.041 0.000) 10.082 8.421 ( 1.149 1.987 0.000) 2.295 8.913 ( 1.140 -13.559 0.000) 13.607 9.155 ( 6.435 -10.089 0.000) 11.966 10.362 ( -11.755 5.261 0.000) 12.879 11.249 ( -2.314 0.219 0.000) 2.324 18.825 ( -1.777 0.842 0.000) 1.966 19.005 ( -4.098 -0.975 0.000) 4.212 19.276 ( -0.086 -0.456 0.000) 0.464 19.533 ( 2.114 -2.460 0.000) 3.244 39.368 ( -0.638 -0.780 0.000) 1.008 39.370 ( 1.032 0.155 0.000) 1.043 62.545 ( 3.843 10.013 0.000) 10.725 64.420 ( 31.702 20.766 0.000) 37.898 ======================= Grid point 38 (29/228) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -1.581 24.763 0.000) 24.814 2.274 ( -17.196 11.986 0.000) 20.961 2.884 ( 9.068 2.519 0.000) 9.411 3.647 ( -31.364 10.953 0.000) 33.222 3.951 ( -20.867 5.679 0.000) 21.626 3.983 ( 7.708 -6.773 0.000) 10.261 5.596 ( -3.998 5.592 0.000) 6.874 5.698 ( 3.257 -2.752 0.000) 4.264 5.702 ( 1.205 0.438 0.000) 1.282 6.025 ( 2.447 3.473 0.000) 4.248 6.203 ( 4.961 -3.002 0.000) 5.799 6.893 ( 1.096 10.927 0.000) 10.982 6.926 ( 3.669 -10.788 0.000) 11.395 7.313 ( -5.787 7.505 0.000) 9.477 7.663 ( 4.587 0.035 0.000) 4.587 7.695 ( 3.137 -6.294 0.000) 7.033 8.351 ( 9.853 -8.750 0.000) 13.178 8.470 ( 4.109 -2.229 0.000) 4.675 9.055 ( 0.507 -15.710 0.000) 15.718 9.325 ( 2.691 -9.606 0.000) 9.976 10.081 ( -16.328 -1.667 0.000) 16.413 11.196 ( -0.510 6.626 0.000) 6.646 18.782 ( -1.957 1.037 0.000) 2.215 18.932 ( -5.133 -2.299 0.000) 5.624 19.279 ( -0.038 -0.488 0.000) 0.489 19.600 ( 2.603 -2.985 0.000) 3.960 39.367 ( -0.434 -1.376 0.000) 1.443 39.401 ( 2.219 -0.161 0.000) 2.225 62.508 ( 2.649 13.837 0.000) 14.089 64.861 ( 37.044 27.017 0.000) 45.849 ======================= Grid point 39 (30/228) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -17.758 17.629 0.000) 25.023 1.897 ( -14.730 20.670 0.000) 25.382 2.955 ( -11.387 17.263 0.000) 20.680 3.058 ( -0.713 14.796 0.000) 14.813 3.509 ( -20.848 5.571 0.000) 21.580 4.177 ( 6.181 -8.339 0.000) 10.380 5.502 ( -2.036 1.126 0.000) 2.326 5.710 ( -0.507 1.574 0.000) 1.653 5.749 ( 0.531 -2.786 0.000) 2.836 6.037 ( 1.544 1.404 0.000) 2.087 6.338 ( 7.477 1.452 0.000) 7.617 6.834 ( 1.947 10.375 0.000) 10.556 7.084 ( 5.637 -6.599 0.000) 8.679 7.116 ( -7.877 7.365 0.000) 10.783 7.726 ( 1.747 -0.464 0.000) 1.808 7.810 ( 2.974 -7.080 0.000) 7.679 8.601 ( 5.357 -7.087 0.000) 8.884 8.637 ( 11.099 -11.870 0.000) 16.251 9.178 ( -0.686 -14.484 0.000) 14.500 9.406 ( -2.049 -8.463 0.000) 8.707 9.792 ( -18.564 -7.704 0.000) 20.099 11.120 ( 0.795 12.588 0.000) 12.613 18.738 ( -1.700 1.167 0.000) 2.062 18.850 ( -6.092 -2.924 0.000) 6.757 19.282 ( -0.018 -0.437 0.000) 0.437 19.675 ( 2.498 -3.519 0.000) 4.315 39.374 ( -0.211 -1.893 0.000) 1.905 39.453 ( 3.102 -0.091 0.000) 3.104 62.419 ( 1.420 16.756 0.000) 16.816 65.373 ( 42.846 28.448 0.000) 51.430 ======================= Grid point 40 (31/228) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -25.262 19.225 0.000) 31.745 1.348 ( -13.760 23.832 0.000) 27.519 2.466 ( -4.929 45.291 0.000) 45.558 3.062 ( -4.693 4.979 0.000) 6.843 3.156 ( -4.939 7.375 0.000) 8.876 4.342 ( 3.682 -8.939 0.000) 9.668 5.505 ( 2.014 -1.169 0.000) 2.329 5.659 ( -4.022 -1.496 0.000) 4.291 5.778 ( 0.146 -3.022 0.000) 3.025 6.070 ( 1.990 -1.061 0.000) 2.255 6.422 ( 5.880 10.148 0.000) 11.728 6.768 ( -0.650 11.428 0.000) 11.446 6.953 ( -4.554 -0.522 0.000) 4.583 7.249 ( 7.359 -4.170 0.000) 8.458 7.723 ( -2.978 -0.433 0.000) 3.009 7.915 ( 1.862 -6.974 0.000) 7.218 8.764 ( 3.923 -10.176 0.000) 10.906 8.925 ( 8.626 -11.012 0.000) 13.988 9.271 ( -0.957 -12.254 0.000) 12.291 9.388 ( -7.357 -7.727 0.000) 10.669 9.550 ( -13.184 -10.177 0.000) 16.655 11.018 ( 1.025 16.287 0.000) 16.319 18.703 ( -1.013 1.203 0.000) 1.573 18.754 ( -6.029 -1.699 0.000) 6.264 19.285 ( -0.011 -0.331 0.000) 0.331 19.746 ( 1.666 -3.861 0.000) 4.205 39.389 ( -0.055 -2.215 0.000) 2.215 39.509 ( 2.706 0.298 0.000) 2.723 62.291 ( 0.414 18.094 0.000) 18.098 65.989 ( 42.563 18.440 0.000) 46.385 ======================= Grid point 41 (32/228) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -0.000 24.541 0.000) 24.541 0.981 ( -0.000 28.519 0.000) 28.519 1.997 ( -0.000 57.015 0.000) 57.015 2.941 ( 0.000 -0.868 0.000) 0.868 3.088 ( -0.000 11.720 0.000) 11.720 4.450 ( 0.000 -8.137 0.000) 8.137 5.559 ( -0.000 0.087 0.000) 0.087 5.640 ( 0.000 -8.424 0.000) 8.424 5.803 ( 0.000 -2.507 0.000) 2.507 6.108 ( 0.000 -2.041 0.000) 2.041 6.370 ( -0.000 15.083 0.000) 15.083 6.661 ( -0.000 9.242 0.000) 9.242 6.946 ( 0.000 -4.355 0.000) 4.355 7.393 ( 0.000 -4.597 0.000) 4.597 7.640 ( -0.000 3.158 0.000) 3.158 7.987 ( 0.000 -6.192 0.000) 6.192 8.891 ( 0.000 -10.614 0.000) 10.614 9.091 ( 0.000 -6.907 0.000) 6.907 9.322 ( 0.000 -6.177 0.000) 6.177 9.352 ( 0.000 -9.968 0.000) 9.968 9.523 ( 0.000 -10.969 0.000) 10.969 10.890 ( -0.000 17.036 0.000) 17.036 18.683 ( -0.000 1.097 0.000) 1.097 18.684 ( -0.000 0.827 0.000) 0.827 19.287 ( 0.000 -0.216 0.000) 0.216 19.795 ( 0.000 -3.737 0.000) 3.737 39.407 ( 0.000 -2.250 0.000) 2.250 39.534 ( -0.000 0.679 0.000) 0.679 62.146 ( -0.000 17.258 0.000) 17.258 66.436 ( 0.000 -0.096 0.000) 0.096 ======================= Grid point 46 (33/228) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 7.266 -0.000 0.000) 7.266 2.530 ( 5.813 -0.000 0.000) 5.813 3.040 ( 15.034 -0.000 0.000) 15.034 3.444 ( -9.006 0.000 0.000) 9.006 4.497 ( 8.829 -0.000 0.000) 8.829 5.017 ( 14.467 -0.000 0.000) 14.467 5.474 ( 10.992 -0.000 0.000) 10.992 5.680 ( -14.971 0.000 0.000) 14.971 5.788 ( -0.422 0.000 0.000) 0.422 5.946 ( 3.610 -0.000 0.000) 3.610 6.124 ( 4.530 -0.000 0.000) 4.530 6.525 ( 11.102 -0.000 0.000) 11.102 6.598 ( -3.246 0.000 0.000) 3.246 7.225 ( -5.888 0.000 0.000) 5.888 7.444 ( 3.404 -0.000 0.000) 3.404 7.581 ( -6.940 0.000 0.000) 6.940 8.237 ( -2.941 0.000 0.000) 2.941 8.615 ( -5.174 0.000 0.000) 5.174 8.665 ( -17.237 0.000 0.000) 17.237 9.444 ( -6.546 0.000 0.000) 6.546 10.623 ( 2.926 -0.000 0.000) 2.926 11.500 ( 2.374 -0.000 0.000) 2.374 18.863 ( 1.359 -0.000 0.000) 1.359 19.264 ( -1.424 0.000 0.000) 1.424 19.284 ( -0.264 0.000 0.000) 0.264 19.444 ( -2.329 0.000 0.000) 2.329 39.417 ( -0.694 0.000 0.000) 0.694 39.428 ( -0.569 0.000 0.000) 0.569 62.204 ( 6.962 -0.000 0.000) 6.962 62.886 ( 13.551 -0.000 0.000) 13.551 ======================= Grid point 47 (34/228) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 5.018 1.606 0.000) 5.268 2.680 ( 11.426 4.688 0.000) 12.350 3.232 ( 2.946 6.305 0.000) 6.959 3.341 ( 0.190 -6.528 0.000) 6.530 4.636 ( 4.498 -1.978 0.000) 4.914 5.195 ( 3.449 -1.999 0.000) 3.987 5.433 ( -9.677 1.911 0.000) 9.864 5.668 ( 5.418 0.710 0.000) 5.464 5.725 ( -0.132 2.386 0.000) 2.390 6.024 ( 3.304 -2.624 0.000) 4.220 6.141 ( -1.287 0.518 0.000) 1.387 6.588 ( -0.142 -0.422 0.000) 0.445 6.757 ( 12.477 -1.642 0.000) 12.585 7.217 ( 0.685 -10.127 0.000) 10.151 7.448 ( -6.391 0.510 0.000) 6.411 7.493 ( 0.931 -1.275 0.000) 1.578 8.216 ( 0.118 -1.112 0.000) 1.119 8.276 ( -12.609 15.106 0.000) 19.677 8.609 ( -4.235 -10.291 0.000) 11.128 9.289 ( -8.317 3.469 0.000) 9.012 10.695 ( 5.518 1.700 0.000) 5.774 11.481 ( -4.394 0.038 0.000) 4.394 18.882 ( 0.585 0.043 0.000) 0.587 19.222 ( -2.107 1.729 0.000) 2.726 19.279 ( -0.321 -0.033 0.000) 0.322 19.419 ( -1.035 -1.213 0.000) 1.595 39.403 ( -0.580 0.562 0.000) 0.807 39.414 ( -0.773 0.245 0.000) 0.811 62.344 ( 7.634 -0.426 0.000) 7.645 63.218 ( 20.642 -1.750 0.000) 20.716 ======================= Grid point 48 (35/228) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 4.809 -0.379 0.000) 4.824 2.847 ( 14.293 15.123 0.000) 20.809 3.128 ( -5.882 3.366 0.000) 6.777 3.470 ( 5.079 -3.751 0.000) 6.314 4.674 ( -3.645 -4.549 0.000) 5.829 5.162 ( -8.636 -0.448 0.000) 8.647 5.315 ( -0.929 1.817 0.000) 2.041 5.571 ( -5.362 -0.767 0.000) 5.417 5.882 ( 11.350 5.643 0.000) 12.675 6.096 ( 1.016 -3.896 0.000) 4.026 6.105 ( -2.108 0.468 0.000) 2.159 6.554 ( -4.121 -1.536 0.000) 4.398 6.990 ( 11.085 0.720 0.000) 11.108 7.341 ( -4.641 -1.021 0.000) 4.752 7.384 ( 4.230 -15.847 0.000) 16.402 7.518 ( 0.294 -2.433 0.000) 2.450 7.967 ( -7.106 12.970 0.000) 14.789 8.254 ( 1.791 -3.587 0.000) 4.009 8.653 ( 1.000 -8.548 0.000) 8.607 9.088 ( -8.745 5.893 0.000) 10.545 10.784 ( 6.250 5.713 0.000) 8.468 11.349 ( -9.707 -2.002 0.000) 9.911 18.884 ( -0.265 0.206 0.000) 0.335 19.161 ( -2.843 1.916 0.000) 3.429 19.273 ( -0.315 -0.133 0.000) 0.342 19.422 ( 0.096 -1.698 0.000) 1.701 39.387 ( -0.440 0.798 0.000) 0.911 39.396 ( -0.919 0.271 0.000) 0.958 62.487 ( 7.645 0.895 0.000) 7.697 63.664 ( 26.420 1.196 0.000) 26.447 ======================= Grid point 49 (36/228) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 5.066 -3.398 0.000) 6.100 2.931 ( 12.556 26.625 0.000) 29.437 2.970 ( -8.542 2.909 0.000) 9.024 3.582 ( 4.229 -3.572 0.000) 5.536 4.578 ( -11.345 -6.440 0.000) 13.045 4.879 ( -20.172 2.391 0.000) 20.313 5.367 ( 7.097 0.750 0.000) 7.137 5.546 ( 1.398 -1.558 0.000) 2.093 5.990 ( 1.169 3.429 0.000) 3.623 6.052 ( 1.595 6.242 0.000) 6.442 6.113 ( -2.527 -3.744 0.000) 4.517 6.500 ( -3.985 -7.063 0.000) 8.110 7.116 ( 4.312 5.055 0.000) 6.645 7.323 ( 1.646 -2.433 0.000) 2.937 7.553 ( 0.742 -3.423 0.000) 3.502 7.568 ( 2.931 -8.148 0.000) 8.659 7.847 ( 2.710 2.711 0.000) 3.833 8.334 ( 2.072 -6.316 0.000) 6.647 8.788 ( 5.176 -9.519 0.000) 10.836 8.886 ( -7.242 5.306 0.000) 8.978 10.759 ( -3.607 11.546 0.000) 12.096 11.223 ( -4.979 -5.717 0.000) 7.581 18.869 ( -1.051 0.451 0.000) 1.144 19.086 ( -3.689 1.322 0.000) 3.919 19.269 ( -0.256 -0.280 0.000) 0.379 19.448 ( 1.053 -1.948 0.000) 2.215 39.375 ( -0.080 0.752 0.000) 0.756 39.377 ( -0.959 0.100 0.000) 0.964 62.607 ( 7.073 3.552 0.000) 7.915 64.167 ( 30.657 6.571 0.000) 31.354 ======================= Grid point 50 (37/228) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 1.747 -5.052 0.000) 5.345 2.753 ( -11.202 5.484 0.000) 12.473 2.893 ( 10.915 30.908 0.000) 32.778 3.702 ( 4.599 -5.904 0.000) 7.484 4.331 ( -21.245 0.689 0.000) 21.256 4.427 ( -21.513 2.630 0.000) 21.674 5.534 ( 9.979 0.308 0.000) 9.984 5.622 ( 4.479 -1.386 0.000) 4.689 5.863 ( -8.368 3.133 0.000) 8.935 6.072 ( 3.514 6.069 0.000) 7.013 6.084 ( -3.125 -4.532 0.000) 5.506 6.554 ( 1.725 -11.158 0.000) 11.290 7.105 ( 0.947 6.810 0.000) 6.875 7.402 ( 3.777 -1.322 0.000) 4.001 7.584 ( -0.040 -1.486 0.000) 1.487 7.638 ( 4.393 2.971 0.000) 5.304 7.987 ( 6.982 -8.288 0.000) 10.837 8.416 ( 1.330 -4.360 0.000) 4.558 8.766 ( -3.501 -2.756 0.000) 4.456 8.981 ( 5.924 -10.619 0.000) 12.159 10.477 ( -15.920 7.927 0.000) 17.784 11.246 ( 2.873 -0.627 0.000) 2.941 18.839 ( -1.610 0.722 0.000) 1.765 19.002 ( -4.471 0.476 0.000) 4.496 19.268 ( -0.170 -0.431 0.000) 0.464 19.493 ( 1.763 -2.321 0.000) 2.915 39.360 ( -0.859 -0.242 0.000) 0.893 39.376 ( 0.712 0.398 0.000) 0.815 62.687 ( 6.025 7.036 0.000) 9.263 64.688 ( 33.385 12.199 0.000) 35.545 ======================= Grid point 51 (38/228) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -12.964 10.433 0.000) 16.640 2.572 ( -7.289 13.646 0.000) 15.470 2.944 ( 10.654 8.506 0.000) 13.633 3.793 ( -27.064 7.566 0.000) 28.102 3.850 ( 4.598 -9.035 0.000) 10.138 4.076 ( -14.907 7.968 0.000) 16.903 5.675 ( -7.787 3.919 0.000) 8.718 5.675 ( 4.313 0.209 0.000) 4.318 5.704 ( 3.132 -0.007 0.000) 3.132 6.075 ( 0.548 2.669 0.000) 2.724 6.126 ( 4.055 -5.998 0.000) 7.240 6.727 ( 5.891 -11.957 0.000) 13.329 7.058 ( 1.060 8.797 0.000) 8.861 7.425 ( -1.326 5.490 0.000) 5.648 7.602 ( 1.057 -4.474 0.000) 4.597 7.704 ( 5.382 3.957 0.000) 6.680 8.200 ( 8.116 -9.328 0.000) 12.364 8.455 ( 1.733 -0.419 0.000) 1.783 8.804 ( -0.712 -13.605 0.000) 13.624 9.158 ( 3.230 -10.323 0.000) 10.816 10.089 ( -20.535 1.887 0.000) 20.622 11.300 ( 4.814 5.875 0.000) 7.595 18.799 ( -1.806 0.976 0.000) 2.053 18.913 ( -4.949 -0.272 0.000) 4.956 19.270 ( -0.090 -0.542 0.000) 0.550 19.551 ( 2.104 -2.890 0.000) 3.575 39.350 ( -0.639 -0.713 0.000) 0.957 39.398 ( 1.849 -0.191 0.000) 1.859 62.713 ( 4.606 10.835 0.000) 11.774 65.208 ( 34.699 15.871 0.000) 38.156 ======================= Grid point 52 (39/228) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -12.919 16.441 0.000) 20.910 2.203 ( -18.901 16.424 0.000) 25.040 3.052 ( 2.605 0.947 0.000) 2.772 3.311 ( -14.004 9.578 0.000) 16.966 3.734 ( -8.631 21.022 0.000) 22.725 4.014 ( 3.745 -11.291 0.000) 11.896 5.533 ( -3.942 2.955 0.000) 4.926 5.708 ( -0.446 -2.133 0.000) 2.179 5.725 ( -0.961 0.650 0.000) 1.160 6.053 ( -0.990 0.620 0.000) 1.168 6.310 ( 9.595 -4.077 0.000) 10.425 6.942 ( 6.774 -10.188 0.000) 12.234 7.003 ( 1.399 9.934 0.000) 10.032 7.275 ( -6.320 10.899 0.000) 12.599 7.690 ( 2.280 -7.293 0.000) 7.641 7.756 ( 3.230 3.774 0.000) 4.968 8.451 ( 10.069 -10.746 0.000) 14.726 8.514 ( 2.998 -3.288 0.000) 4.449 8.921 ( -0.602 -16.345 0.000) 16.356 9.260 ( -0.821 -8.842 0.000) 8.880 9.705 ( -20.772 -3.531 0.000) 21.070 11.319 ( 4.613 11.368 0.000) 12.268 18.758 ( -1.571 1.185 0.000) 1.968 18.824 ( -4.877 -0.511 0.000) 4.904 19.274 ( -0.038 -0.580 0.000) 0.581 19.616 ( 1.965 -3.565 0.000) 4.070 39.348 ( -0.370 -1.243 0.000) 1.297 39.446 ( 2.731 -0.760 0.000) 2.835 62.679 ( 2.943 14.441 0.000) 14.738 65.719 ( 33.734 15.196 0.000) 36.998 ======================= Grid point 53 (40/228) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -22.077 18.474 0.000) 28.787 1.731 ( -9.343 22.336 0.000) 24.211 2.949 ( -4.203 7.385 0.000) 8.497 3.160 ( -3.602 7.392 0.000) 8.223 3.430 ( 0.539 30.035 0.000) 30.040 4.168 ( 2.262 -12.134 0.000) 12.343 5.488 ( 0.802 0.728 0.000) 1.083 5.655 ( -5.491 0.588 0.000) 5.523 5.721 ( -0.523 -3.829 0.000) 3.865 6.047 ( -0.017 -1.708 0.000) 1.708 6.507 ( 8.828 -0.083 0.000) 8.828 6.946 ( 1.108 9.708 0.000) 9.771 7.044 ( -7.442 11.802 0.000) 13.953 7.139 ( 5.819 -8.903 0.000) 10.636 7.755 ( -0.073 3.920 0.000) 3.920 7.790 ( 1.524 -7.946 0.000) 8.091 8.613 ( 2.537 -7.526 0.000) 7.942 8.740 ( 10.341 -11.356 0.000) 15.359 9.041 ( -0.670 -15.530 0.000) 15.544 9.266 ( -6.257 -6.906 0.000) 9.319 9.411 ( -13.217 -7.208 0.000) 15.055 11.280 ( 2.787 15.188 0.000) 15.442 18.724 ( -0.931 1.324 0.000) 1.619 18.744 ( -3.674 0.156 0.000) 3.677 19.278 ( -0.013 -0.539 0.000) 0.539 19.679 ( 1.265 -4.145 0.000) 4.334 39.356 ( -0.140 -1.734 0.000) 1.740 39.504 ( 2.347 -0.992 0.000) 2.548 62.587 ( 1.273 17.281 0.000) 17.328 66.192 ( 25.937 8.289 0.000) 27.229 ======================= Grid point 54 (41/228) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.000 22.664 0.000) 22.664 1.432 ( -0.000 26.129 0.000) 26.129 2.850 ( -0.000 43.224 0.000) 43.224 2.921 ( 0.000 -1.659 0.000) 1.659 3.287 ( -0.000 14.348 0.000) 14.348 4.289 ( 0.000 -11.443 0.000) 11.443 5.538 ( 0.000 -2.904 0.000) 2.904 5.560 ( -0.000 0.022 0.000) 0.022 5.750 ( 0.000 -3.904 0.000) 3.904 6.069 ( 0.000 -2.650 0.000) 2.650 6.582 ( -0.000 7.574 0.000) 7.574 6.844 ( -0.000 12.849 0.000) 12.849 6.909 ( -0.000 2.405 0.000) 2.405 7.281 ( 0.000 -8.873 0.000) 8.873 7.705 ( -0.000 4.790 0.000) 4.790 7.871 ( 0.000 -7.819 0.000) 7.819 8.714 ( 0.000 -10.143 0.000) 10.143 8.956 ( 0.000 -9.416 0.000) 9.416 9.154 ( 0.000 -13.870 0.000) 13.870 9.203 ( 0.000 -7.699 0.000) 7.699 9.370 ( 0.000 -7.892 0.000) 7.892 11.172 ( -0.000 16.913 0.000) 16.913 18.699 ( -0.000 1.029 0.000) 1.029 18.704 ( -0.000 1.345 0.000) 1.345 19.282 ( 0.000 -0.443 0.000) 0.443 19.727 ( 0.000 -4.359 0.000) 4.359 39.371 ( 0.000 -2.086 0.000) 2.086 39.536 ( 0.000 -0.605 0.000) 0.605 62.449 ( -0.000 18.695 0.000) 18.695 66.441 ( -0.000 0.749 0.000) 0.749 ======================= Grid point 61 (42/228) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 3.059 -0.000 0.000) 3.059 2.995 ( 18.554 -0.000 0.000) 18.554 3.160 ( -7.561 0.000 0.000) 7.561 3.434 ( 6.612 -0.000 0.000) 6.612 4.624 ( -5.819 0.000 0.000) 5.819 5.159 ( -7.042 0.000 0.000) 7.042 5.333 ( -1.343 0.000 0.000) 1.343 5.562 ( -5.931 0.000 0.000) 5.931 5.935 ( 11.756 -0.000 0.000) 11.756 6.060 ( 1.329 -0.000 0.000) 1.329 6.108 ( -1.927 0.000 0.000) 1.927 6.559 ( -4.078 0.000 0.000) 4.078 6.995 ( 12.938 -0.000 0.000) 12.938 7.227 ( 5.112 -0.000 0.000) 5.112 7.332 ( -5.324 0.000 0.000) 5.324 7.496 ( -0.186 0.000 0.000) 0.186 8.097 ( -10.769 0.000 0.000) 10.769 8.225 ( 1.216 -0.000 0.000) 1.216 8.562 ( 2.356 -0.000 0.000) 2.356 9.138 ( -9.165 0.000 0.000) 9.165 10.835 ( 8.541 -0.000 0.000) 8.541 11.330 ( -11.666 0.000 0.000) 11.666 18.886 ( -0.209 0.000 0.000) 0.209 19.179 ( -3.272 0.000 0.000) 3.272 19.272 ( -0.348 0.000 0.000) 0.348 19.407 ( 0.244 -0.000 0.000) 0.244 39.395 ( -0.533 0.000 0.000) 0.533 39.398 ( -0.990 0.000 0.000) 0.990 62.494 ( 8.347 -0.000 0.000) 8.347 63.672 ( 28.064 -0.000 0.000) 28.064 ======================= Grid point 62 (43/228) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 3.407 -2.065 0.000) 3.984 3.004 ( -8.512 1.122 0.000) 8.585 3.310 ( 19.885 15.245 0.000) 25.056 3.536 ( 3.702 -1.678 0.000) 4.065 4.432 ( -16.392 -8.050 0.000) 18.262 4.919 ( -18.043 1.677 0.000) 18.121 5.387 ( 7.312 1.073 0.000) 7.390 5.520 ( 0.901 -1.090 0.000) 1.414 6.042 ( -3.949 2.499 0.000) 4.673 6.059 ( -2.566 -2.105 0.000) 3.319 6.130 ( 8.718 2.186 0.000) 8.988 6.446 ( -6.730 -0.521 0.000) 6.750 7.173 ( 3.616 1.638 0.000) 3.970 7.307 ( 5.187 0.200 0.000) 5.191 7.388 ( 7.399 -8.200 0.000) 11.045 7.497 ( -0.236 -2.473 0.000) 2.484 7.947 ( -2.178 5.008 0.000) 5.461 8.257 ( 0.989 -2.542 0.000) 2.728 8.658 ( 5.201 -5.060 0.000) 7.256 8.958 ( -8.715 2.558 0.000) 9.083 10.945 ( -1.177 10.608 0.000) 10.674 11.108 ( -6.853 -8.218 0.000) 10.700 18.874 ( -0.957 0.168 0.000) 0.972 19.105 ( -4.223 0.705 0.000) 4.282 19.266 ( -0.313 -0.107 0.000) 0.331 19.424 ( 1.154 -0.847 0.000) 1.432 39.378 ( -1.075 0.083 0.000) 1.078 39.385 ( -0.288 0.323 0.000) 0.432 62.646 ( 8.244 1.167 0.000) 8.326 64.236 ( 32.592 1.994 0.000) 32.653 ======================= Grid point 63 (44/228) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 3.382 -3.802 0.000) 5.089 2.823 ( -9.178 2.989 0.000) 9.652 3.403 ( 8.881 29.961 0.000) 31.250 3.613 ( 2.335 -4.313 0.000) 4.905 4.234 ( -13.090 -13.223 0.000) 18.606 4.477 ( -26.055 3.279 0.000) 26.260 5.562 ( 11.875 2.540 0.000) 12.143 5.590 ( 4.673 -1.810 0.000) 5.011 5.902 ( -8.099 2.155 0.000) 8.381 6.005 ( -5.281 -4.484 0.000) 6.928 6.187 ( 0.661 7.331 0.000) 7.361 6.413 ( 1.601 -6.900 0.000) 7.083 7.176 ( 0.486 1.788 0.000) 1.853 7.412 ( 5.216 3.064 0.000) 6.049 7.548 ( 2.678 -2.953 0.000) 3.986 7.595 ( 7.225 -6.869 0.000) 9.969 7.945 ( 5.155 2.582 0.000) 5.766 8.307 ( 0.569 -6.580 0.000) 6.604 8.786 ( -6.875 2.841 0.000) 7.439 8.824 ( 6.365 -7.803 0.000) 10.070 10.596 ( -21.290 5.791 0.000) 22.063 11.231 ( 8.498 -0.987 0.000) 8.555 18.848 ( -1.503 0.418 0.000) 1.560 19.013 ( -4.862 0.677 0.000) 4.909 19.263 ( -0.234 -0.263 0.000) 0.352 19.461 ( 1.687 -1.449 0.000) 2.224 39.358 ( -1.004 0.003 0.000) 1.004 39.382 ( 0.284 0.272 0.000) 0.393 62.774 ( 7.403 3.547 0.000) 8.209 64.832 ( 34.152 5.524 0.000) 34.596 ======================= Grid point 64 (45/228) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -9.495 7.202 0.000) 11.917 2.640 ( -1.844 -1.444 0.000) 2.342 3.210 ( -3.706 20.087 0.000) 20.426 3.703 ( 1.931 -8.201 0.000) 8.425 3.904 ( -27.345 5.505 0.000) 27.894 4.163 ( -3.695 1.853 0.000) 4.134 5.694 ( 4.168 -0.550 0.000) 4.204 5.706 ( 3.551 3.420 0.000) 4.930 5.730 ( -7.444 2.306 0.000) 7.793 6.016 ( 4.020 -7.134 0.000) 8.189 6.119 ( -2.089 2.868 0.000) 3.548 6.560 ( 6.468 -8.155 0.000) 10.409 7.169 ( 1.254 4.379 0.000) 4.555 7.474 ( 3.160 0.105 0.000) 3.162 7.582 ( 0.165 2.951 0.000) 2.955 7.750 ( 6.495 0.420 0.000) 6.508 8.078 ( 7.791 -4.176 0.000) 8.840 8.389 ( 1.253 -8.730 0.000) 8.819 8.672 ( -4.295 -1.548 0.000) 4.565 9.000 ( 4.869 -8.352 0.000) 9.668 10.125 ( -24.933 2.145 0.000) 25.025 11.384 ( 8.901 4.102 0.000) 9.801 18.813 ( -1.701 0.695 0.000) 1.838 18.916 ( -4.993 0.426 0.000) 5.011 19.262 ( -0.143 -0.426 0.000) 0.450 19.509 ( 1.857 -2.098 0.000) 2.802 39.342 ( -0.793 -0.231 0.000) 0.826 39.394 ( 1.153 -0.274 0.000) 1.185 62.858 ( 5.956 6.674 0.000) 8.945 65.402 ( 32.819 8.269 0.000) 33.844 ======================= Grid point 65 (46/228) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -8.991 13.039 0.000) 15.839 2.424 ( -17.821 9.842 0.000) 20.358 3.068 ( -1.780 2.530 0.000) 3.094 3.405 ( -19.829 2.801 0.000) 20.026 3.820 ( 1.647 -11.734 0.000) 11.849 4.078 ( 2.970 18.336 0.000) 18.575 5.588 ( -4.214 3.221 0.000) 5.304 5.680 ( -2.948 -1.251 0.000) 3.202 5.747 ( 1.166 2.190 0.000) 2.481 6.061 ( -2.839 0.543 0.000) 2.891 6.230 ( 11.072 -4.910 0.000) 12.112 6.770 ( 7.437 -9.990 0.000) 12.454 7.147 ( 1.441 7.042 0.000) 7.188 7.456 ( -2.561 10.994 0.000) 11.289 7.579 ( 1.005 -5.675 0.000) 5.763 7.832 ( 4.534 4.813 0.000) 6.612 8.289 ( 9.088 -8.672 0.000) 12.562 8.475 ( 1.986 -3.617 0.000) 4.126 8.667 ( -2.233 -12.347 0.000) 12.548 9.127 ( 1.683 -7.046 0.000) 7.244 9.660 ( -24.229 -2.189 0.000) 24.327 11.485 ( 7.384 8.639 0.000) 11.365 18.776 ( -1.480 0.960 0.000) 1.764 18.824 ( -4.390 0.338 0.000) 4.403 19.264 ( -0.069 -0.554 0.000) 0.559 19.562 ( 1.640 -2.849 0.000) 3.287 39.333 ( -0.504 -0.590 0.000) 0.775 39.429 ( 1.890 -1.189 0.000) 2.233 62.883 ( 4.060 10.096 0.000) 10.882 65.907 ( 28.221 8.264 0.000) 29.406 ======================= Grid point 66 (47/228) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -19.041 16.138 0.000) 24.960 2.072 ( -6.295 18.832 0.000) 19.856 2.959 ( -9.172 -1.968 0.000) 9.381 3.219 ( -0.485 0.672 0.000) 0.829 3.952 ( 1.102 -13.743 0.000) 13.787 3.954 ( 3.724 28.414 0.000) 28.657 5.529 ( 0.770 3.185 0.000) 3.277 5.655 ( -1.802 -4.060 0.000) 4.442 5.693 ( -3.742 4.911 0.000) 6.174 6.018 ( -1.734 -1.633 0.000) 2.382 6.459 ( 8.598 -4.316 0.000) 9.621 6.975 ( 5.061 -10.334 0.000) 11.507 7.106 ( 1.188 9.032 0.000) 9.110 7.268 ( -5.041 14.511 0.000) 15.361 7.660 ( 1.145 -7.641 0.000) 7.726 7.841 ( 1.501 6.298 0.000) 6.475 8.529 ( 1.468 -2.764 0.000) 3.129 8.556 ( 10.429 -10.924 0.000) 15.102 8.768 ( -0.858 -17.219 0.000) 17.241 9.168 ( -3.934 -4.878 0.000) 6.267 9.300 ( -15.480 -6.403 0.000) 16.752 11.508 ( 4.156 12.343 0.000) 13.024 18.745 ( -0.870 1.182 0.000) 1.467 18.752 ( -2.810 0.643 0.000) 2.882 19.268 ( -0.024 -0.617 0.000) 0.617 19.614 ( 1.013 -3.588 0.000) 3.728 39.333 ( -0.219 -1.012 0.000) 1.035 39.478 ( 1.694 -1.991 0.000) 2.615 62.842 ( 1.949 13.369 0.000) 13.510 66.297 ( 18.453 4.891 0.000) 19.090 ======================= Grid point 67 (48/228) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.000 19.988 0.000) 19.988 1.835 ( -0.000 22.642 0.000) 22.642 2.885 ( 0.000 -2.771 0.000) 2.771 3.209 ( -0.000 4.985 0.000) 4.985 3.731 ( -0.000 34.329 0.000) 34.329 4.078 ( 0.000 -13.916 0.000) 13.916 5.560 ( 0.000 -0.054 0.000) 0.054 5.564 ( -0.000 6.201 0.000) 6.201 5.677 ( 0.000 -4.794 0.000) 4.794 6.024 ( 0.000 -2.793 0.000) 2.793 6.587 ( 0.000 -4.205 0.000) 4.205 7.040 ( -0.000 10.373 0.000) 10.373 7.079 ( -0.000 15.555 0.000) 15.555 7.114 ( 0.000 -10.844 0.000) 10.844 7.737 ( 0.000 -8.163 0.000) 8.163 7.797 ( -0.000 6.403 0.000) 6.403 8.580 ( 0.000 -5.769 0.000) 5.769 8.786 ( 0.000 -10.982 0.000) 10.982 8.901 ( 0.000 -16.702 0.000) 16.702 9.086 ( 0.000 -6.381 0.000) 6.381 9.253 ( 0.000 -6.331 0.000) 6.331 11.435 ( -0.000 14.706 0.000) 14.706 18.716 ( -0.000 1.027 0.000) 1.027 18.726 ( -0.000 1.320 0.000) 1.320 19.273 ( 0.000 -0.607 0.000) 0.607 19.656 ( 0.000 -4.102 0.000) 4.102 39.341 ( 0.000 -1.418 0.000) 1.418 39.514 ( 0.000 -2.014 0.000) 2.014 62.738 ( -0.000 15.972 0.000) 15.972 66.460 ( -0.000 1.593 0.000) 1.593 ======================= Grid point 76 (49/228) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 3.757 -0.000 0.000) 3.757 2.848 ( -8.459 0.000 0.000) 8.459 3.575 ( 1.499 -0.000 0.000) 1.499 3.780 ( 21.041 -0.000 0.000) 21.041 3.992 ( -23.980 0.000 0.000) 23.980 4.508 ( -26.534 0.000 0.000) 26.534 5.574 ( 4.876 -0.000 0.000) 4.876 5.589 ( 13.207 -0.000 0.000) 13.207 5.925 ( -8.425 0.000 0.000) 8.425 5.962 ( -6.687 0.000 0.000) 6.687 6.301 ( -7.625 0.000 0.000) 7.625 6.306 ( 8.161 -0.000 0.000) 8.161 7.185 ( 0.370 -0.000 0.000) 0.370 7.473 ( -0.669 0.000 0.000) 0.669 7.495 ( 10.532 -0.000 0.000) 10.532 7.522 ( 9.931 -0.000 0.000) 9.931 7.980 ( 3.421 -0.000 0.000) 3.421 8.247 ( -0.742 0.000 0.000) 0.742 8.753 ( 6.949 -0.000 0.000) 6.949 8.814 ( -7.591 0.000 0.000) 7.591 10.647 ( -24.293 0.000 0.000) 24.293 11.221 ( 11.495 -0.000 0.000) 11.495 18.852 ( -1.466 0.000 0.000) 1.466 19.020 ( -5.049 0.000 0.000) 5.049 19.260 ( -0.258 0.000 0.000) 0.258 19.448 ( 1.708 -0.000 0.000) 1.708 39.359 ( -1.055 0.000 0.000) 1.055 39.384 ( 0.092 -0.000 0.000) 0.092 62.803 ( 7.872 -0.000 0.000) 7.872 64.876 ( 34.394 -0.000 0.000) 34.394 ======================= Grid point 78 (50/228) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.932 -1.209 0.000) 1.526 2.691 ( -7.410 2.616 0.000) 7.858 3.496 ( -18.582 11.701 0.000) 21.960 3.603 ( 0.316 -3.378 0.000) 3.393 3.957 ( -30.911 0.723 0.000) 30.919 4.148 ( 12.545 -2.064 0.000) 12.714 5.685 ( 6.263 -0.405 0.000) 6.276 5.761 ( -7.961 1.191 0.000) 8.049 5.782 ( -0.561 5.405 0.000) 5.434 5.900 ( 7.413 -6.630 0.000) 9.946 6.162 ( -5.371 1.793 0.000) 5.662 6.463 ( 6.981 -3.371 0.000) 7.752 7.206 ( 1.822 0.712 0.000) 1.956 7.465 ( 0.131 -0.427 0.000) 0.446 7.655 ( 6.837 3.748 0.000) 7.797 7.725 ( 10.112 -1.887 0.000) 10.287 8.061 ( 5.308 0.603 0.000) 5.342 8.243 ( -1.738 -6.210 0.000) 6.449 8.685 ( -5.509 1.139 0.000) 5.625 8.899 ( 6.619 -3.407 0.000) 7.445 10.151 ( -27.748 0.835 0.000) 27.761 11.431 ( 11.106 1.480 0.000) 11.205 18.821 ( -1.649 0.252 0.000) 1.669 18.922 ( -5.112 0.249 0.000) 5.118 19.257 ( -0.176 -0.162 0.000) 0.239 19.485 ( 1.785 -0.771 0.000) 1.944 39.340 ( -0.877 -0.034 0.000) 0.878 39.391 ( 0.641 -0.133 0.000) 0.654 62.931 ( 6.632 2.228 0.000) 6.996 65.490 ( 31.930 2.567 0.000) 32.033 ======================= Grid point 79 (51/228) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -12.032 2.677 0.000) 12.326 2.523 ( -6.162 7.523 0.000) 9.724 3.155 ( -8.886 7.230 0.000) 11.456 3.413 ( -24.727 -1.707 0.000) 24.786 3.652 ( 0.073 -7.874 0.000) 7.875 4.304 ( 7.689 8.906 0.000) 11.766 5.628 ( -4.674 1.588 0.000) 4.936 5.666 ( -6.047 -0.531 0.000) 6.070 5.787 ( 4.786 2.123 0.000) 5.236 6.074 ( -3.332 0.998 0.000) 3.478 6.163 ( 12.825 -3.013 0.000) 13.175 6.634 ( 7.348 -6.046 0.000) 9.516 7.227 ( 1.745 2.834 0.000) 3.329 7.490 ( 0.774 -3.464 0.000) 3.550 7.661 ( 0.864 11.928 0.000) 11.959 7.898 ( 7.878 2.816 0.000) 8.366 8.177 ( 6.126 -4.596 0.000) 7.658 8.308 ( -0.142 -13.750 0.000) 13.751 8.595 ( -3.299 0.624 0.000) 3.357 9.035 ( 4.297 -3.912 0.000) 5.811 9.630 ( -27.341 -1.329 0.000) 27.373 11.596 ( 9.032 4.674 0.000) 10.170 18.788 ( -1.429 0.536 0.000) 1.526 18.831 ( -4.285 0.362 0.000) 4.301 19.256 ( -0.097 -0.339 0.000) 0.352 19.525 ( 1.485 -1.581 0.000) 2.169 39.327 ( -0.595 -0.187 0.000) 0.624 39.411 ( 1.121 -0.880 0.000) 1.425 63.008 ( 4.715 5.082 0.000) 6.933 66.004 ( 25.517 3.757 0.000) 25.792 ======================= Grid point 80 (52/228) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -15.761 11.400 0.000) 19.452 2.340 ( -4.101 13.288 0.000) 13.906 2.925 ( -12.355 -1.673 0.000) 12.468 3.207 ( -1.440 -1.614 0.000) 2.163 3.736 ( 0.180 -11.757 0.000) 11.758 4.312 ( 4.040 14.947 0.000) 15.483 5.565 ( -0.994 1.160 0.000) 1.528 5.593 ( -3.240 -3.295 0.000) 4.621 5.815 ( 2.276 8.217 0.000) 8.527 6.003 ( -3.340 0.388 0.000) 3.362 6.393 ( 8.405 -3.383 0.000) 9.060 6.819 ( 5.373 -8.158 0.000) 9.769 7.221 ( 1.082 4.936 0.000) 5.054 7.520 ( -1.978 15.577 0.000) 15.702 7.546 ( 0.439 -5.429 0.000) 5.446 7.955 ( 3.125 7.408 0.000) 8.040 8.383 ( 9.007 -10.033 0.000) 13.482 8.443 ( 1.339 -14.957 0.000) 15.017 8.551 ( -2.113 -2.237 0.000) 3.077 9.107 ( -1.575 -2.616 0.000) 3.054 9.203 ( -18.043 -5.214 0.000) 18.782 11.678 ( 5.068 8.063 0.000) 9.523 18.761 ( -0.833 0.811 0.000) 1.163 18.762 ( -2.532 0.570 0.000) 2.595 19.259 ( -0.037 -0.491 0.000) 0.492 19.564 ( 0.871 -2.418 0.000) 2.570 39.322 ( -0.281 -0.435 0.000) 0.518 39.444 ( 1.048 -1.927 0.000) 2.193 63.020 ( 2.383 8.165 0.000) 8.505 66.360 ( 15.056 2.921 0.000) 15.337 ======================= Grid point 81 (53/228) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.000 16.243 0.000) 16.243 2.169 ( -0.000 17.645 0.000) 17.645 2.829 ( 0.000 -3.940 0.000) 3.940 3.222 ( 0.000 -1.410 0.000) 1.410 3.845 ( 0.000 -13.834 0.000) 13.834 4.203 ( -0.000 21.513 0.000) 21.513 5.559 ( 0.000 -0.076 0.000) 0.076 5.598 ( 0.000 -4.653 0.000) 4.653 5.731 ( -0.000 13.195 0.000) 13.195 5.981 ( 0.000 -2.371 0.000) 2.371 6.509 ( 0.000 -4.487 0.000) 4.487 6.944 ( 0.000 -9.371 0.000) 9.371 7.185 ( -0.000 6.773 0.000) 6.773 7.351 ( -0.000 17.377 0.000) 17.377 7.609 ( 0.000 -7.291 0.000) 7.291 7.915 ( -0.000 7.920 0.000) 7.920 8.529 ( 0.000 -0.714 0.000) 0.714 8.600 ( 0.000 -11.563 0.000) 11.563 8.611 ( 0.000 -18.388 0.000) 18.388 8.988 ( 0.000 -5.722 0.000) 5.722 9.167 ( 0.000 -3.930 0.000) 3.930 11.647 ( -0.000 10.855 0.000) 10.855 18.732 ( -0.000 0.822 0.000) 0.822 18.746 ( -0.000 1.042 0.000) 1.042 19.263 ( 0.000 -0.588 0.000) 0.588 19.596 ( 0.000 -3.150 0.000) 3.150 39.324 ( 0.000 -0.728 0.000) 0.728 39.475 ( 0.000 -2.509 0.000) 2.509 62.963 ( -0.000 11.086 0.000) 11.086 66.489 ( -0.000 1.811 0.000) 1.811 ======================= Grid point 92 (54/228) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -9.338 0.000 0.000) 9.338 2.587 ( -5.047 0.000 0.000) 5.047 3.240 ( -9.121 0.000 0.000) 9.121 3.379 ( -29.656 0.000 0.000) 29.656 3.583 ( -0.582 0.000 0.000) 0.582 4.375 ( 8.981 -0.000 0.000) 8.981 5.641 ( -5.083 0.000 0.000) 5.083 5.662 ( -7.531 0.000 0.000) 7.531 5.805 ( 6.240 -0.000 0.000) 6.240 6.085 ( -2.868 0.000 0.000) 2.868 6.137 ( 13.727 -0.000 0.000) 13.727 6.583 ( 7.173 -0.000 0.000) 7.173 7.249 ( 2.154 -0.000 0.000) 2.154 7.459 ( -0.083 0.000 0.000) 0.083 7.795 ( 5.115 -0.000 0.000) 5.115 7.920 ( 11.051 -0.000 0.000) 11.051 8.140 ( 3.078 -0.000 0.000) 3.078 8.156 ( -3.719 0.000 0.000) 3.719 8.606 ( -3.366 0.000 0.000) 3.366 9.002 ( 5.455 -0.000 0.000) 5.455 9.619 ( -28.593 0.000 0.000) 28.593 11.635 ( 9.576 -0.000 0.000) 9.576 18.793 ( -1.413 0.000 0.000) 1.413 18.834 ( -4.285 0.000 0.000) 4.285 19.254 ( -0.107 0.000 0.000) 0.107 19.512 ( 1.443 -0.000 0.000) 1.443 39.326 ( -0.628 0.000 0.000) 0.628 39.404 ( 0.816 -0.000 0.000) 0.816 63.050 ( 4.928 -0.000 0.000) 4.928 66.035 ( 24.724 -0.000 0.000) 24.724 ======================= Grid point 94 (55/228) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -12.216 4.121 0.000) 12.892 2.495 ( -2.791 5.049 0.000) 5.769 2.910 ( -17.864 -0.272 0.000) 17.866 3.181 ( -0.424 -1.111 0.000) 1.189 3.592 ( -0.442 -4.880 0.000) 4.900 4.463 ( 3.008 4.172 0.000) 5.143 5.554 ( -4.186 -1.297 0.000) 4.382 5.575 ( -1.976 0.238 0.000) 1.990 5.896 ( 4.136 1.498 0.000) 4.399 6.044 ( -1.274 3.221 0.000) 3.464 6.354 ( 8.404 -1.186 0.000) 8.488 6.721 ( 5.600 -3.317 0.000) 6.509 7.275 ( 1.239 1.729 0.000) 2.127 7.470 ( 0.161 -2.660 0.000) 2.665 7.787 ( 0.657 14.632 0.000) 14.647 8.080 ( 6.435 7.583 0.000) 9.945 8.168 ( -1.448 -15.198 0.000) 15.267 8.229 ( 5.602 -8.443 0.000) 10.132 8.559 ( -1.409 0.804 0.000) 1.622 9.080 ( -0.397 -0.794 0.000) 0.888 9.140 ( -19.513 -2.122 0.000) 19.628 11.768 ( 5.519 2.804 0.000) 6.191 18.769 ( -2.468 0.219 0.000) 2.477 18.770 ( -0.818 0.288 0.000) 0.867 19.253 ( -0.047 -0.187 0.000) 0.192 19.537 ( 0.809 -0.853 0.000) 1.176 39.318 ( -0.317 -0.108 0.000) 0.334 39.421 ( 0.654 -0.788 0.000) 1.024 63.110 ( 2.590 2.715 0.000) 3.752 66.393 ( 13.730 1.003 0.000) 13.767 ======================= Grid point 95 (56/228) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -0.000 10.346 0.000) 10.346 2.403 ( -0.000 10.329 0.000) 10.329 2.761 ( 0.000 -3.913 0.000) 3.913 3.194 ( 0.000 -1.450 0.000) 1.450 3.648 ( 0.000 -9.300 0.000) 9.300 4.440 ( -0.000 8.162 0.000) 8.162 5.533 ( 0.000 -2.965 0.000) 2.965 5.558 ( 0.000 -0.045 0.000) 0.045 5.949 ( 0.000 -1.378 0.000) 1.378 5.951 ( -0.000 11.794 0.000) 11.794 6.451 ( 0.000 -2.420 0.000) 2.420 6.816 ( 0.000 -5.849 0.000) 5.849 7.266 ( -0.000 3.326 0.000) 3.326 7.505 ( 0.000 -4.989 0.000) 4.989 7.645 ( -0.000 18.097 0.000) 18.097 8.057 ( -0.000 9.155 0.000) 9.155 8.304 ( 0.000 -18.692 0.000) 18.692 8.411 ( 0.000 -11.167 0.000) 11.167 8.538 ( -0.000 1.173 0.000) 1.173 8.903 ( 0.000 -4.142 0.000) 4.142 9.124 ( 0.000 -1.460 0.000) 1.460 11.785 ( -0.000 5.767 0.000) 5.767 18.743 ( -0.000 0.455 0.000) 0.455 18.759 ( -0.000 0.572 0.000) 0.572 19.255 ( 0.000 -0.361 0.000) 0.361 19.555 ( 0.000 -1.706 0.000) 1.706 39.316 ( 0.000 -0.265 0.000) 0.265 39.438 ( 0.000 -1.703 0.000) 1.703 63.100 ( -0.000 5.555 0.000) 5.555 66.515 ( -0.000 1.189 0.000) 1.189 ======================= Grid point 109 (57/228) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.000 0.000 0.000) 0.000 2.491 ( -0.000 0.000 0.000) 0.000 2.723 ( -0.000 0.000 0.000) 0.000 3.182 ( -0.000 0.000 0.000) 0.000 3.566 ( -0.000 0.000 0.000) 0.000 4.502 ( -0.000 0.000 0.000) 0.000 5.507 ( -0.000 0.000 0.000) 0.000 5.557 ( -0.000 0.000 0.000) 0.000 5.937 ( -0.000 0.000 0.000) 0.000 6.059 ( -0.000 0.000 0.000) 0.000 6.431 ( -0.000 0.000 0.000) 0.000 6.764 ( -0.000 0.000 0.000) 0.000 7.295 ( -0.000 0.000 0.000) 0.000 7.459 ( -0.000 0.000 0.000) 0.000 7.884 ( -0.000 0.000 0.000) 0.000 8.059 ( -0.000 0.000 0.000) 0.000 8.187 ( -0.000 0.000 0.000) 0.000 8.264 ( 0.000 -0.000 0.000) 0.000 8.550 ( -0.000 0.000 0.000) 0.000 8.867 ( -0.000 0.000 0.000) 0.000 9.113 ( -0.000 0.000 0.000) 0.000 11.833 ( -0.000 0.000 0.000) 0.000 18.746 ( -0.000 0.000 0.000) 0.000 18.764 ( -0.000 0.000 0.000) 0.000 19.252 ( -0.000 0.000 0.000) 0.000 19.541 ( -0.000 0.000 0.000) 0.000 39.314 ( -0.000 0.000 0.000) 0.000 39.424 ( -0.000 0.000 0.000) 0.000 63.145 ( -0.000 0.000 0.000) 0.000 66.525 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 203 (58/228) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.000 0.000 31.964) 31.964 0.724 ( 0.000 0.000 33.164) 33.164 1.129 ( 0.000 0.000 51.547) 51.547 2.739 ( 0.000 0.000 -9.335) 9.335 2.841 ( 0.000 0.000 -10.339) 10.339 4.404 ( 0.000 0.000 -16.445) 16.445 4.898 ( 0.000 0.000 2.257) 2.257 5.536 ( 0.000 0.000 -16.002) 16.002 5.572 ( 0.000 0.000 1.349) 1.349 6.005 ( 0.000 0.000 -9.068) 9.068 6.355 ( 0.000 0.000 16.785) 16.785 6.682 ( 0.000 0.000 12.610) 12.610 7.002 ( 0.000 0.000 -2.925) 2.925 7.146 ( 0.000 0.000 5.192) 5.192 7.547 ( 0.000 0.000 -3.878) 3.878 7.964 ( 0.000 0.000 -3.359) 3.359 9.121 ( 0.000 0.000 2.602) 2.602 9.230 ( 0.000 0.000 1.891) 1.891 9.500 ( 0.000 0.000 -1.905) 1.905 9.766 ( 0.000 0.000 -5.351) 5.351 10.458 ( 0.000 0.000 5.685) 5.685 11.017 ( 0.000 0.000 -2.706) 2.706 18.663 ( 0.000 0.000 -0.023) 0.023 18.668 ( 0.000 0.000 -0.090) 0.090 19.701 ( 0.000 0.000 0.618) 0.618 19.788 ( 0.000 0.000 -0.619) 0.619 39.456 ( 0.000 0.000 0.310) 0.310 39.507 ( 0.000 0.000 -0.408) 0.408 62.652 ( 0.000 0.000 1.402) 1.402 62.826 ( 0.000 0.000 -1.054) 1.054 ======================= Grid point 204 (59/228) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 11.297 -9.817 20.411) 25.310 0.933 ( 12.188 -20.345 22.485) 32.681 1.699 ( 39.685 -8.411 38.228) 55.741 2.737 ( -1.302 -2.638 -8.891) 9.365 2.962 ( 11.768 -0.894 -12.186) 16.964 4.374 ( -2.608 0.961 -13.463) 13.747 5.013 ( -2.891 -23.570 -0.778) 23.760 5.514 ( 0.397 -2.277 -13.356) 13.555 5.756 ( 8.119 -0.410 -7.726) 11.215 5.964 ( -4.367 -0.188 -7.395) 8.590 6.350 ( -0.766 -0.841 15.705) 15.746 6.652 ( -3.646 -1.923 9.429) 10.290 7.008 ( 3.247 3.529 -1.485) 5.020 7.200 ( -0.860 -2.266 -0.937) 2.598 7.649 ( 7.389 2.589 -11.171) 13.641 7.948 ( -3.855 -5.955 -4.371) 8.332 9.046 ( -5.893 3.401 2.215) 7.156 9.238 ( 0.550 2.445 3.186) 4.053 9.495 ( 0.665 2.946 -2.511) 3.928 9.774 ( 1.759 4.709 -3.488) 6.118 10.484 ( 5.048 12.609 8.040) 15.783 10.699 ( -8.634 14.615 9.811) 19.606 18.677 ( 1.319 -0.293 0.132) 1.357 18.828 ( 11.740 2.983 -8.830) 14.989 19.566 ( -3.730 11.203 7.611) 14.048 19.784 ( -2.639 -1.925 -1.361) 3.539 39.456 ( -0.282 -0.068 0.438) 0.526 39.497 ( -0.714 0.804 -0.295) 1.115 62.190 ( -6.670 14.499 19.066) 24.865 63.298 ( -27.003 -93.155 -18.997) 98.833 ======================= Grid point 205 (60/228) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 21.239 -12.195 2.795) 24.650 1.374 ( 16.773 -19.377 10.960) 27.873 2.520 ( 31.615 -12.266 25.741) 42.574 2.765 ( 8.714 -1.283 -5.157) 10.206 3.232 ( 13.758 -2.227 -18.490) 23.155 4.326 ( -0.369 1.470 -3.102) 3.453 5.148 ( -1.867 -20.315 0.352) 20.404 5.561 ( 1.836 -3.233 -11.379) 11.971 5.830 ( 1.236 1.477 -4.626) 5.011 5.865 ( -5.879 -2.022 -3.574) 7.171 6.343 ( -1.375 -2.158 12.812) 13.065 6.589 ( -5.685 -3.915 3.409) 7.698 7.060 ( 4.246 2.322 -0.289) 4.848 7.150 ( -4.279 -1.356 -0.015) 4.489 7.667 ( -0.368 6.798 -10.321) 12.365 7.918 ( -5.511 -6.861 -5.535) 10.396 8.859 ( -9.185 7.204 2.067) 11.855 9.164 ( -4.801 7.442 6.597) 11.043 9.464 ( -0.349 6.488 -4.586) 7.953 9.722 ( -2.560 5.045 2.865) 6.342 10.373 ( 6.068 22.287 7.767) 24.369 10.742 ( 8.126 -5.643 0.083) 9.894 18.714 ( 2.215 -0.468 0.501) 2.318 18.969 ( 7.343 5.092 -8.319) 12.209 19.442 ( -1.961 6.467 7.416) 10.033 19.729 ( -3.792 0.012 -1.316) 4.014 39.445 ( -0.350 1.043 0.558) 1.234 39.469 ( -1.203 1.328 -0.023) 1.792 62.107 ( -1.748 -6.570 13.445) 15.067 63.408 ( -27.771 -64.700 -13.580) 71.706 ======================= Grid point 206 (61/228) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 10.423 -11.358 3.142) 15.732 1.878 ( 21.796 -13.129 0.310) 25.446 2.681 ( -2.541 -6.011 -0.434) 6.541 3.433 ( 25.355 -4.523 -1.164) 25.781 3.466 ( 21.704 -5.565 -9.285) 24.253 4.361 ( 5.398 1.069 10.674) 12.009 5.273 ( -0.272 -14.378 0.577) 14.392 5.626 ( 2.629 -1.961 -5.844) 6.701 5.787 ( -3.963 -5.143 -6.333) 9.070 5.839 ( 0.738 2.420 0.122) 2.533 6.311 ( -4.475 -0.184 9.038) 10.087 6.521 ( -5.112 -7.388 -1.285) 9.076 7.032 ( -4.887 -0.388 -1.195) 5.046 7.187 ( 5.121 -2.715 2.573) 6.342 7.575 ( -3.042 5.549 -10.431) 12.201 7.852 ( -6.529 -4.895 -3.982) 9.080 8.599 ( -10.337 10.972 0.928) 15.103 8.949 ( -9.130 10.627 12.558) 18.815 9.367 ( -3.667 7.573 -7.621) 11.352 9.627 ( -3.621 3.892 4.471) 6.946 10.370 ( 7.787 12.846 4.011) 15.548 10.965 ( 11.077 -2.696 -2.761) 11.730 18.764 ( 2.549 -0.518 0.910) 2.756 19.037 ( 4.733 4.945 -5.750) 8.940 19.374 ( -1.220 3.449 5.215) 6.370 19.652 ( -4.023 0.681 -1.363) 4.302 39.427 ( -0.384 2.050 0.262) 2.102 39.435 ( -1.052 1.240 0.366) 1.667 62.171 ( -0.213 -11.435 9.837) 15.085 63.388 ( -22.637 -46.535 -10.147) 52.734 ======================= Grid point 207 (62/228) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.638 -7.443 1.783) 8.474 2.342 ( 15.936 -10.592 -4.626) 19.686 2.698 ( 1.210 -3.682 2.220) 4.467 3.532 ( -0.196 -3.127 -20.774) 21.009 4.185 ( 30.958 -4.791 8.956) 32.581 4.510 ( 11.511 -1.469 13.237) 17.603 5.363 ( -0.669 -8.630 1.350) 8.761 5.680 ( 0.777 0.715 -2.714) 2.912 5.787 ( 0.595 -3.287 -7.262) 7.994 5.842 ( 1.592 1.261 3.028) 3.646 6.176 ( -7.340 1.261 3.171) 8.095 6.548 ( -0.655 -10.295 -3.479) 10.886 6.953 ( -4.795 -3.648 0.392) 6.038 7.314 ( 5.146 -3.182 1.224) 6.173 7.482 ( -2.340 4.423 -11.340) 12.395 7.769 ( -6.408 -4.956 -2.139) 8.378 8.313 ( -9.463 12.323 0.767) 15.556 8.696 ( -9.041 7.435 15.906) 19.750 9.214 ( -6.360 6.216 -8.385) 12.223 9.512 ( -4.554 5.982 5.017) 9.039 10.422 ( 6.311 7.390 3.653) 10.382 11.172 ( 9.703 0.463 -4.802) 10.836 18.815 ( 2.396 -0.491 1.268) 2.755 19.073 ( 3.244 4.071 -3.697) 6.385 19.333 ( -0.915 1.783 3.301) 3.862 19.575 ( -3.493 0.728 -1.414) 3.838 39.398 ( -0.640 1.944 0.246) 2.061 39.415 ( -0.231 1.335 0.281) 1.384 62.268 ( 0.230 -11.384 7.810) 13.808 63.346 ( -17.076 -33.791 -8.280) 38.755 ======================= Grid point 208 (63/228) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.356 -4.351 1.314) 4.559 2.574 ( 1.243 -7.824 -7.715) 11.058 2.842 ( 10.971 -1.660 3.840) 11.742 3.520 ( -2.481 -1.824 -10.722) 11.156 4.563 ( 9.644 -3.486 9.210) 13.784 4.898 ( 23.551 -3.071 2.319) 23.863 5.388 ( -1.986 -4.527 1.938) 5.310 5.574 ( -7.681 5.566 -2.605) 9.837 5.809 ( -1.677 1.262 -0.516) 2.161 5.925 ( 6.881 -1.551 1.998) 7.331 6.104 ( -0.029 -2.106 -1.225) 2.437 6.631 ( 0.661 -8.702 -7.513) 11.515 6.932 ( -1.926 -6.995 1.815) 7.478 7.368 ( -1.066 5.617 -9.135) 10.777 7.446 ( 2.173 0.157 -2.168) 3.074 7.707 ( -4.383 -5.396 -1.095) 7.037 8.072 ( -6.807 7.510 4.538) 11.106 8.512 ( -6.382 1.717 12.610) 14.237 9.042 ( -6.563 4.621 -5.031) 9.473 9.357 ( -5.609 8.548 6.786) 12.271 10.480 ( 4.616 3.237 2.631) 6.222 11.309 ( 6.256 2.593 -6.416) 9.329 18.859 ( 1.862 -0.401 1.564) 2.464 19.094 ( 2.081 2.867 -2.231) 4.186 19.308 ( -0.655 0.842 1.908) 2.186 19.513 ( -2.465 0.523 -1.489) 2.927 39.375 ( -0.249 1.390 0.301) 1.444 39.402 ( -0.021 1.121 0.053) 1.123 62.358 ( 0.287 -8.806 6.563) 10.986 63.312 ( -11.424 -22.609 -7.162) 26.324 ======================= Grid point 209 (64/228) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -0.216 -2.182 2.184) 3.095 2.612 ( -0.990 -3.628 -7.649) 8.524 3.026 ( 6.412 -0.522 2.677) 6.968 3.496 ( -1.074 -1.264 -5.498) 5.743 4.725 ( 4.931 -3.301 6.053) 8.477 5.275 ( 14.603 2.051 -1.545) 14.827 5.373 ( -5.289 -0.322 0.487) 5.321 5.393 ( -3.621 -0.896 -0.364) 3.747 5.746 ( -2.047 2.755 1.505) 3.748 6.038 ( 2.887 -1.678 -1.344) 3.599 6.169 ( 3.549 -1.971 -0.261) 4.068 6.710 ( 1.336 -5.476 -9.482) 11.031 6.985 ( 0.431 -8.017 1.419) 8.153 7.254 ( -3.024 9.732 -9.160) 13.703 7.469 ( 0.575 1.807 1.198) 2.243 7.707 ( -0.250 -4.441 -1.365) 4.653 7.945 ( -3.354 1.141 7.639) 8.420 8.419 ( -4.017 -1.363 3.499) 5.499 8.933 ( -1.906 0.195 2.679) 3.294 9.171 ( -6.017 9.435 9.050) 14.392 10.536 ( 2.761 0.507 1.147) 3.032 11.368 ( 2.681 2.530 -7.628) 8.472 18.888 ( 1.026 -0.233 1.787) 2.073 19.105 ( 0.996 1.477 -1.338) 2.228 19.294 ( -0.332 0.319 1.077) 1.172 19.475 ( -1.241 0.260 -1.595) 2.038 39.365 ( -0.012 0.708 0.296) 0.767 39.395 ( 0.033 0.619 -0.088) 0.626 62.419 ( 0.179 -4.753 5.855) 7.543 63.293 ( -5.721 -11.442 -6.540) 14.367 ======================= Grid point 210 (65/228) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 -0.000 2.786) 2.786 2.616 ( 0.000 0.000 -8.044) 8.044 3.085 ( 0.000 -0.000 3.417) 3.417 3.495 ( 0.000 -0.000 -5.304) 5.304 4.788 ( 0.000 0.000 4.975) 4.975 5.289 ( 0.000 -0.000 0.362) 0.362 5.359 ( 0.000 0.000 2.131) 2.131 5.437 ( 0.000 -0.000 -4.619) 4.619 5.714 ( 0.000 0.000 2.115) 2.115 6.067 ( 0.000 -0.000 -3.906) 3.906 6.217 ( 0.000 -0.000 0.969) 0.969 6.751 ( 0.000 -0.000 -9.391) 9.391 7.047 ( 0.000 -0.000 0.949) 0.949 7.154 ( -0.000 0.000 -7.737) 7.737 7.461 ( 0.000 0.000 2.392) 2.392 7.732 ( 0.000 0.000 -1.189) 1.189 7.912 ( 0.000 0.000 7.699) 7.699 8.383 ( 0.000 0.000 -2.169) 2.169 8.962 ( -0.000 0.000 7.723) 7.723 9.025 ( 0.000 -0.000 9.938) 9.938 10.562 ( 0.000 0.000 0.491) 0.491 11.380 ( 0.000 -0.000 -8.116) 8.116 18.899 ( 0.000 0.000 1.876) 1.876 19.108 ( 0.000 -0.000 -1.042) 1.042 19.290 ( 0.000 -0.000 0.810) 0.810 19.463 ( 0.000 0.000 -1.650) 1.650 39.362 ( 0.000 -0.000 0.288) 0.288 39.393 ( 0.000 0.000 -0.135) 0.135 62.440 ( 0.000 -0.000 5.623) 5.623 63.287 ( 0.000 0.000 -6.338) 6.338 ======================= Grid point 219 (66/228) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 28.319 -0.000 -1.815) 28.377 1.166 ( 19.236 -0.000 15.984) 25.010 2.417 ( 32.119 -0.000 27.819) 42.492 2.767 ( 11.333 -0.000 -5.433) 12.568 3.206 ( 13.025 -0.000 -18.568) 22.680 4.338 ( -0.778 0.000 -3.638) 3.720 4.939 ( 2.906 -0.000 2.004) 3.530 5.530 ( 2.226 -0.000 -14.310) 14.482 5.846 ( -7.573 0.000 -3.772) 8.460 5.846 ( 2.655 -0.000 -4.541) 5.260 6.327 ( -1.259 0.000 14.054) 14.110 6.556 ( -5.670 0.000 4.291) 7.110 7.081 ( 3.746 -0.000 0.678) 3.807 7.138 ( -5.228 0.000 -1.551) 5.453 7.770 ( 2.339 -0.000 -14.088) 14.281 7.813 ( -7.088 0.000 -3.830) 8.056 8.917 ( -9.211 0.000 2.861) 9.645 9.229 ( -3.151 0.000 4.439) 5.444 9.518 ( -0.177 0.000 -3.834) 3.839 9.766 ( -4.573 0.000 1.632) 4.855 10.600 ( -4.804 0.000 7.030) 8.515 10.686 ( 11.738 -0.000 2.313) 11.964 18.710 ( 2.270 -0.000 0.530) 2.331 19.017 ( 6.706 -0.000 -11.027) 12.906 19.523 ( -4.544 0.000 6.649) 8.053 19.718 ( -3.491 0.000 -0.684) 3.558 39.452 ( -0.194 0.000 0.210) 0.286 39.486 ( -0.928 0.000 -0.342) 0.989 62.092 ( -6.679 0.000 15.919) 17.263 62.725 ( -4.411 0.000 -1.769) 4.753 ======================= Grid point 220 (67/228) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 17.962 1.806 4.970) 18.724 1.679 ( 25.076 -9.855 -5.420) 27.483 2.615 ( 0.785 -1.820 3.517) 4.037 3.384 ( 41.056 -1.319 13.959) 43.384 3.397 ( 5.982 -2.613 -25.975) 26.783 4.368 ( 4.004 0.001 10.696) 11.421 5.060 ( 5.125 -8.561 1.467) 10.085 5.592 ( 3.630 -1.502 -11.650) 12.295 5.722 ( -5.485 -2.035 -1.832) 6.130 5.880 ( 2.068 1.617 -2.114) 3.371 6.306 ( -1.441 -0.254 10.486) 10.588 6.436 ( -8.037 -2.691 0.389) 8.485 7.017 ( -7.534 -0.808 -1.258) 7.680 7.164 ( 4.982 -0.484 1.147) 5.136 7.650 ( -7.091 2.992 -6.471) 10.056 7.780 ( -3.645 -2.968 -9.323) 10.441 8.715 ( -10.651 3.299 3.663) 11.736 9.106 ( -7.457 6.272 6.821) 11.894 9.448 ( -7.006 2.238 -5.138) 8.972 9.666 ( -4.036 1.019 3.800) 5.636 10.547 ( 1.975 6.677 4.052) 8.056 10.934 ( 13.525 -0.958 -0.341) 13.563 18.758 ( 2.650 -0.174 0.988) 2.834 19.100 ( 3.772 2.132 -8.175) 9.252 19.437 ( -2.723 3.255 5.619) 7.042 19.648 ( -4.306 -0.768 -0.837) 4.453 39.446 ( -0.259 0.512 0.168) 0.598 39.462 ( -1.021 1.272 -0.135) 1.637 62.047 ( -0.038 -3.367 9.599) 10.172 62.752 ( -6.833 -24.354 -3.435) 25.526 ======================= Grid point 221 (68/228) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 11.766 4.038 0.066) 12.440 2.162 ( 16.318 -10.663 -9.262) 21.581 2.663 ( 4.801 -0.467 5.698) 7.465 3.477 ( 0.577 -3.416 -22.628) 22.892 4.122 ( 34.152 -2.681 8.782) 35.365 4.471 ( 6.230 -2.605 15.603) 17.002 5.228 ( 4.930 -7.009 1.951) 8.788 5.671 ( 2.198 -0.945 -1.714) 2.943 5.714 ( 2.854 -4.327 -8.571) 10.016 5.903 ( 2.871 4.335 -0.221) 5.204 6.202 ( -8.751 1.905 4.162) 9.876 6.390 ( -1.017 -8.382 0.130) 8.445 6.888 ( -7.662 -3.466 -0.321) 8.416 7.271 ( 5.141 -1.932 0.366) 5.505 7.510 ( -6.449 -0.971 -7.427) 9.884 7.709 ( -5.371 -1.086 -6.755) 8.698 8.479 ( -10.054 6.500 2.562) 12.243 8.863 ( -9.744 11.683 11.545) 19.098 9.262 ( -10.805 -0.371 -6.247) 12.487 9.590 ( -3.064 3.392 2.667) 5.292 10.545 ( 3.316 6.573 4.449) 8.602 11.177 ( 11.466 0.076 -2.706) 11.781 18.809 ( 2.525 -0.237 1.372) 2.883 19.135 ( 2.471 2.978 -5.676) 6.869 19.371 ( -1.760 2.696 4.097) 5.210 19.574 ( -4.087 -0.685 -1.012) 4.266 39.431 ( -0.820 1.862 0.088) 2.036 39.434 ( -0.263 0.957 0.100) 0.998 62.115 ( 2.314 -6.666 6.580) 9.649 62.837 ( -5.906 -25.173 -4.601) 26.263 ======================= Grid point 222 (69/228) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 7.504 6.864 -1.658) 10.304 2.426 ( 3.903 -9.418 -9.946) 14.243 2.833 ( 12.386 0.561 5.572) 13.593 3.487 ( -1.728 -2.246 -11.437) 11.783 4.520 ( 8.290 -1.600 10.345) 13.353 4.798 ( 22.113 -8.179 3.124) 23.783 5.337 ( 2.984 -1.843 2.548) 4.335 5.660 ( -3.940 4.257 -4.275) 7.205 5.822 ( 3.169 -0.757 -3.872) 5.060 5.914 ( 2.515 1.470 3.362) 4.448 6.079 ( -0.978 -0.734 1.608) 2.021 6.482 ( 2.308 -8.896 -4.488) 10.228 6.809 ( -4.902 -7.105 1.644) 8.787 7.366 ( 1.217 -4.232 -3.789) 5.809 7.451 ( -0.521 -2.223 -5.332) 5.801 7.611 ( -6.133 -2.243 -4.526) 7.945 8.244 ( -7.704 9.806 1.614) 12.574 8.592 ( -9.247 8.757 13.796) 18.776 9.072 ( -10.132 -1.502 -5.189) 11.482 9.480 ( -4.505 6.216 3.600) 8.479 10.556 ( 3.020 5.197 4.345) 7.417 11.344 ( 7.037 1.639 -4.682) 8.610 18.853 ( 2.025 -0.218 1.652) 2.622 19.147 ( 1.526 3.192 -3.636) 5.074 19.327 ( -1.231 1.469 2.575) 3.210 19.512 ( -3.135 -0.697 -1.201) 3.429 39.404 ( -0.480 1.839 0.206) 1.911 39.421 ( -0.247 1.079 -0.001) 1.107 62.226 ( 3.287 -6.790 5.377) 9.264 62.948 ( -2.113 -20.166 -5.132) 20.916 ======================= Grid point 223 (70/228) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.765 9.240 -0.342) 11.457 2.526 ( 1.084 -6.165 -8.494) 10.551 3.034 ( 8.556 1.533 2.782) 9.126 3.469 ( -1.426 -2.012 -3.924) 4.635 4.667 ( 5.745 -3.465 6.656) 9.451 5.194 ( 10.872 -8.777 -2.870) 14.265 5.381 ( 1.814 2.662 0.521) 3.263 5.488 ( -4.884 7.821 -0.192) 9.223 5.804 ( -2.069 3.555 2.025) 4.584 5.987 ( 1.784 -4.221 -2.158) 5.065 6.147 ( 5.275 -0.324 1.628) 5.530 6.601 ( 3.149 -7.050 -7.746) 10.937 6.832 ( -0.427 -9.621 3.168) 10.138 7.369 ( -2.180 1.383 -10.617) 10.926 7.473 ( -0.952 -0.583 -0.192) 1.133 7.576 ( -0.505 -8.912 -3.186) 9.478 8.045 ( -4.394 10.096 6.454) 12.763 8.403 ( -6.485 0.636 7.972) 10.297 8.927 ( -6.152 -1.837 -0.225) 6.424 9.321 ( -6.016 8.377 6.183) 12.025 10.574 ( 2.769 3.629 2.687) 5.297 11.410 ( 1.953 2.410 -6.342) 7.060 18.886 ( 1.236 -0.115 1.833) 2.214 19.141 ( 0.515 2.765 -2.070) 3.492 19.301 ( -0.715 0.500 1.383) 1.635 19.471 ( -1.895 -0.807 -1.411) 2.496 39.383 ( -0.238 1.451 0.238) 1.490 39.408 ( -0.268 0.882 -0.089) 0.926 62.340 ( 3.686 -4.598 5.132) 7.815 63.091 ( 2.988 -12.401 -5.553) 13.912 ======================= Grid point 224 (71/228) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 7.519 11.987 1.488) 14.228 2.587 ( 1.552 -3.079 -7.633) 8.376 3.105 ( 1.133 2.469 3.116) 4.135 3.479 ( 0.547 -1.905 -4.072) 4.528 4.771 ( 2.308 -1.898 4.694) 5.565 5.284 ( -3.855 -1.579 -0.689) 4.222 5.328 ( -1.603 -1.375 -0.962) 2.321 5.508 ( 6.963 6.907 -0.855) 9.845 5.728 ( -2.702 1.513 2.655) 4.079 6.033 ( -0.220 -3.929 -4.690) 6.122 6.220 ( 1.817 0.447 1.996) 2.736 6.705 ( 2.164 -5.213 -7.970) 9.766 6.920 ( 1.137 -8.688 2.164) 9.025 7.274 ( -2.656 7.520 -9.256) 12.218 7.452 ( -2.256 -1.831 -0.311) 2.923 7.677 ( 2.500 -6.730 -3.126) 7.830 7.931 ( -1.280 3.989 11.061) 11.828 8.345 ( -1.205 -3.932 -0.446) 4.137 8.897 ( 0.270 -4.618 5.951) 7.537 9.131 ( -6.303 8.523 8.841) 13.804 10.591 ( 1.685 3.287 0.786) 3.776 11.390 ( -2.109 1.072 -7.545) 7.907 18.900 ( 0.246 0.077 1.882) 1.899 19.122 ( -0.489 1.720 -1.243) 2.178 19.290 ( -0.265 0.005 0.841) 0.882 19.455 ( -0.634 -0.970 -1.555) 1.939 39.370 ( -0.181 0.915 0.238) 0.962 39.397 ( -0.325 0.454 -0.124) 0.571 62.433 ( 3.736 -0.863 5.541) 6.739 63.261 ( 8.490 -2.869 -6.171) 10.880 ======================= Grid point 225 (72/228) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 7.976 15.062 2.151) 17.179 2.637 ( 2.179 -0.404 -6.045) 6.438 3.050 ( -4.931 2.316 2.728) 6.093 3.508 ( 1.708 0.037 -5.519) 5.778 4.764 ( -3.566 1.128 4.586) 5.917 5.205 ( -10.916 -4.253 -0.922) 11.752 5.340 ( 3.913 -1.408 1.901) 4.573 5.497 ( 0.062 6.882 -0.665) 6.914 5.730 ( 3.827 1.062 0.892) 4.070 6.037 ( -2.619 -1.962 -2.713) 4.251 6.199 ( -2.718 1.620 -0.052) 3.164 6.752 ( -0.122 -1.489 -9.114) 9.236 7.001 ( 0.073 -6.284 2.164) 6.647 7.197 ( 1.306 4.935 -7.891) 9.399 7.429 ( -1.739 -2.446 -0.850) 3.119 7.732 ( 0.073 -0.724 1.438) 1.612 7.941 ( 3.138 -1.127 5.997) 6.861 8.409 ( 3.953 -3.304 -0.743) 5.205 8.953 ( -1.942 2.041 7.178) 7.711 9.028 ( 3.216 -6.431 9.696) 12.071 10.565 ( -1.491 4.057 -0.041) 4.323 11.331 ( -4.234 -1.879 -8.009) 9.252 18.893 ( -0.784 0.321 1.758) 1.951 19.095 ( -1.496 0.357 -1.098) 1.890 19.289 ( 0.064 -0.285 0.907) 0.952 19.463 ( 0.590 -1.189 -1.576) 2.060 39.362 ( -0.145 0.313 0.235) 0.418 39.389 ( -0.344 -0.107 -0.067) 0.367 62.489 ( 3.542 3.704 6.463) 8.248 63.452 ( 13.986 7.654 -7.146) 17.472 ======================= Grid point 226 (73/228) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 7.663 17.725 2.131) 19.428 2.663 ( 0.796 2.686 -4.893) 5.638 2.884 ( -9.737 3.269 3.058) 10.717 3.549 ( 3.355 1.605 -9.316) 10.031 4.622 ( -9.891 3.133 6.987) 12.509 4.899 ( -23.279 -2.058 1.479) 23.417 5.465 ( 3.447 0.459 0.224) 3.484 5.504 ( 8.060 1.014 2.252) 8.430 5.809 ( 4.866 1.775 -1.662) 5.440 5.950 ( -6.461 1.239 1.807) 6.822 6.132 ( -1.999 0.992 -3.310) 3.992 6.739 ( -0.261 2.776 -8.940) 9.365 7.004 ( -1.173 0.870 3.054) 3.386 7.259 ( 4.356 -3.734 -9.096) 10.754 7.428 ( -1.121 -2.662 -2.333) 3.713 7.734 ( 0.947 -0.180 4.663) 4.761 8.031 ( 5.403 -0.548 1.645) 5.674 8.505 ( 4.548 -0.289 7.806) 9.039 8.950 ( 1.973 -5.172 0.585) 5.566 9.205 ( 6.157 -9.821 8.058) 14.117 10.470 ( -5.520 2.434 0.377) 6.045 11.263 ( -5.524 -2.945 -7.693) 9.918 18.866 ( -1.653 0.548 1.491) 2.293 19.060 ( -2.602 -1.116 -1.408) 3.162 19.297 ( 0.315 -0.601 1.427) 1.580 19.496 ( 1.751 -1.496 -1.552) 2.777 39.361 ( 0.104 -0.353 0.205) 0.421 39.387 ( -0.205 -0.679 0.129) 0.721 62.502 ( 3.179 8.420 7.802) 11.911 63.656 ( 19.466 18.463 -8.637) 28.185 ======================= Grid point 227 (74/228) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 4.859 20.132 3.028) 20.930 2.501 ( -14.422 8.604 -1.827) 16.892 2.761 ( 1.156 3.219 1.004) 3.565 3.585 ( 1.575 3.336 -17.872) 18.249 4.269 ( -27.601 5.053 7.883) 29.146 4.507 ( -15.508 -1.741 10.627) 18.880 5.494 ( 3.543 6.671 0.005) 7.554 5.642 ( 1.986 -2.788 -1.035) 3.576 5.803 ( -3.424 0.459 0.396) 3.477 5.886 ( 2.991 4.441 -0.873) 5.424 6.156 ( 5.103 -1.501 -0.176) 5.322 6.703 ( 0.760 7.044 -6.489) 9.608 6.985 ( 0.298 0.169 2.000) 2.029 7.351 ( 0.555 -0.290 -4.049) 4.097 7.415 ( -0.011 -1.360 -6.706) 6.842 7.795 ( 4.240 -2.455 4.090) 6.382 8.162 ( 7.081 -4.710 -1.581) 8.650 8.615 ( 6.593 -2.870 14.608) 16.282 9.075 ( 3.310 -10.003 -5.491) 11.882 9.391 ( 5.297 -8.691 5.939) 11.784 10.332 ( -9.186 -2.751 1.459) 9.700 11.164 ( -6.737 -0.481 -6.966) 9.703 18.825 ( -2.215 0.713 1.158) 2.599 19.016 ( -3.788 -2.590 -2.031) 5.018 19.311 ( 0.472 -1.059 2.340) 2.611 19.552 ( 2.712 -1.900 -1.578) 3.668 39.372 ( 0.431 -1.107 0.082) 1.190 39.395 ( 0.351 -1.004 0.506) 1.178 62.470 ( 2.698 12.593 9.483) 15.993 63.876 ( 25.264 29.189 -10.994) 40.139 ======================= Grid point 228 (75/228) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -3.627 22.067 3.591) 22.649 2.096 ( -17.016 13.264 2.816) 21.758 2.789 ( 4.945 6.145 -2.615) 8.309 3.509 ( -7.068 4.258 -22.646) 24.103 3.596 ( -35.710 10.296 13.059) 39.392 4.326 ( -7.016 -3.449 10.751) 13.293 5.470 ( 1.258 9.136 -0.243) 9.226 5.642 ( -0.738 -0.371 -2.663) 2.788 5.788 ( -0.321 -1.651 -0.100) 1.685 5.900 ( 3.159 6.096 -4.379) 8.144 6.306 ( 7.634 -0.967 6.541) 10.100 6.664 ( 2.916 9.074 -3.366) 10.108 7.011 ( 0.703 -2.875 -1.254) 3.214 7.262 ( -4.025 6.142 4.471) 8.597 7.488 ( 2.982 -4.328 -11.349) 12.507 7.903 ( 5.661 -0.024 1.936) 5.983 8.388 ( 9.309 -12.441 -2.875) 15.802 8.800 ( 8.249 -7.332 15.261) 18.834 9.210 ( 1.667 -11.037 -7.397) 13.391 9.534 ( 2.712 -7.370 4.762) 9.184 10.176 ( -13.022 -9.706 2.505) 16.434 11.022 ( -6.615 4.171 -6.031) 9.875 18.775 ( -2.380 0.820 0.801) 2.642 18.960 ( -5.156 -3.889 -2.874) 7.069 19.332 ( 0.552 -1.804 3.662) 4.120 19.626 ( 3.244 -2.310 -1.655) 4.313 39.392 ( 0.284 -1.926 0.155) 1.953 39.420 ( 1.570 -0.720 0.703) 1.865 62.399 ( 2.153 15.431 11.439) 19.328 64.123 ( 32.072 40.124 -15.206) 53.570 ======================= Grid point 229 (76/228) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -18.292 20.130 2.848) 27.348 1.723 ( -8.973 21.589 10.723) 25.721 2.798 ( -23.164 19.961 18.595) 35.788 2.837 ( -6.292 7.865 -3.460) 10.650 3.266 ( -14.947 2.201 -17.304) 22.972 4.288 ( -0.597 -3.258 -1.392) 3.593 5.427 ( 3.164 10.434 -0.143) 10.904 5.623 ( -0.100 4.228 -4.708) 6.329 5.796 ( -0.894 -2.530 -2.159) 3.444 5.919 ( 3.895 4.225 -5.471) 7.934 6.397 ( 3.253 3.858 9.929) 11.138 6.680 ( 5.241 6.823 0.985) 8.660 7.013 ( -4.459 -3.023 -2.124) 5.791 7.184 ( 1.586 2.963 3.525) 4.870 7.573 ( 2.028 -4.150 -9.744) 10.783 8.000 ( 5.602 2.256 -0.094) 6.040 8.681 ( 9.378 -13.864 -1.087) 16.773 9.016 ( 6.576 -9.522 11.095) 16.032 9.317 ( 0.220 -10.814 -6.231) 12.483 9.614 ( -0.452 -7.689 4.347) 8.845 10.016 ( -15.974 -18.567 5.372) 25.075 10.863 ( -4.301 8.779 -4.679) 10.838 18.725 ( -2.075 0.872 0.433) 2.292 18.883 ( -6.957 -4.490 -3.673) 9.059 19.363 ( 0.605 -3.195 5.503) 6.392 19.706 ( 3.121 -2.527 -1.739) 4.376 39.414 ( 0.227 -2.291 0.582) 2.374 39.460 ( 2.294 -0.035 0.416) 2.332 62.303 ( 1.652 15.833 13.636) 20.961 64.419 ( 40.522 52.313 -24.408) 70.529 ======================= Grid point 230 (77/228) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -10.751 20.245 14.509) 27.128 1.345 ( -11.996 22.977 17.792) 31.439 2.020 ( -26.001 31.472 27.900) 49.446 2.839 ( 3.576 9.114 -8.210) 12.777 2.979 ( -12.446 1.170 -11.821) 17.205 4.333 ( 1.792 -3.630 -11.589) 12.275 5.418 ( 7.976 16.412 -1.510) 18.309 5.574 ( -0.520 5.126 -8.975) 10.349 5.764 ( -5.023 0.351 -5.866) 7.731 5.972 ( 3.460 0.871 -7.190) 8.027 6.393 ( 0.910 4.832 12.150) 13.107 6.713 ( 3.318 5.334 7.712) 9.947 6.936 ( -5.359 -4.045 -2.164) 7.054 7.237 ( 4.041 1.438 -0.460) 4.313 7.606 ( -1.808 -1.726 -7.474) 7.881 8.061 ( 3.791 5.286 -2.893) 7.119 8.933 ( 6.379 -10.347 1.744) 12.280 9.161 ( 1.131 -6.738 4.546) 8.206 9.399 ( 0.055 -8.612 -3.265) 9.211 9.648 ( -3.824 -9.447 -0.940) 10.235 9.954 ( -10.589 -33.360 19.289) 39.964 10.733 ( -0.971 9.836 -2.173) 10.120 18.687 ( -1.249 0.822 0.113) 1.500 18.770 ( -8.305 -2.919 -3.134) 9.345 19.411 ( 0.638 -6.111 7.916) 10.021 19.777 ( 2.164 -2.305 -1.870) 3.673 39.437 ( 0.208 -2.197 0.919) 2.391 39.498 ( 1.905 0.906 -0.166) 2.116 62.213 ( 1.264 11.903 16.119) 20.078 64.748 ( 44.795 67.083 -48.203) 93.969 ======================= Grid point 231 (78/228) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 12.458 28.260) 30.884 0.973 ( -0.000 20.632 27.060) 34.028 1.428 ( -0.000 37.426 35.900) 51.860 2.809 ( -0.000 8.275 -9.458) 12.567 2.842 ( -0.000 0.035 -10.038) 10.038 4.386 ( 0.000 -3.199 -15.536) 15.862 5.382 ( -0.000 32.431 -17.974) 37.079 5.573 ( -0.000 0.125 1.386) 1.392 5.583 ( -0.000 4.989 -12.400) 13.366 6.006 ( -0.000 0.077 -8.711) 8.711 6.369 ( -0.000 2.460 15.150) 15.348 6.711 ( -0.000 3.479 12.110) 12.600 6.916 ( 0.000 -5.735 -2.798) 6.381 7.250 ( -0.000 6.180 -0.806) 6.233 7.560 ( -0.000 1.616 -3.836) 4.162 8.043 ( -0.000 7.595 -4.817) 8.994 9.067 ( 0.000 -6.524 3.139) 7.240 9.199 ( 0.000 -3.772 1.805) 4.182 9.457 ( 0.000 -5.124 -1.833) 5.442 9.674 ( 0.000 -10.058 -3.930) 10.799 10.195 ( 0.000 -42.995 26.153) 50.325 10.682 ( 0.000 -0.683 3.560) 3.625 18.668 ( -0.000 0.609 -0.027) 0.610 18.672 ( -0.000 0.487 -0.072) 0.492 19.491 ( 0.000 -11.614 9.675) 15.116 19.815 ( 0.000 -1.151 -2.160) 2.447 39.455 ( 0.000 -1.397 0.866) 1.644 39.508 ( -0.000 1.106 -0.697) 1.307 62.172 ( -0.000 0.162 18.529) 18.530 64.647 ( -0.000 95.440 -80.981) 125.167 ======================= Grid point 234 (79/228) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 14.192 -0.000 2.265) 14.372 2.046 ( 17.150 -0.000 -14.417) 22.405 2.666 ( 6.342 -0.000 7.612) 9.908 3.442 ( 1.052 -0.000 -23.574) 23.597 4.100 ( 35.042 -0.000 8.549) 36.070 4.446 ( 3.905 -0.000 16.652) 17.104 5.164 ( 8.254 -0.000 2.162) 8.532 5.665 ( 0.785 -0.000 -0.614) 0.996 5.671 ( 5.472 -0.000 -9.732) 11.165 5.945 ( 4.172 -0.000 -0.925) 4.273 6.233 ( -11.837 0.000 -0.010) 11.837 6.301 ( 0.771 -0.000 5.585) 5.638 6.857 ( -8.569 0.000 -0.697) 8.598 7.254 ( 4.478 -0.000 -0.458) 4.501 7.494 ( -8.777 0.000 -4.955) 10.079 7.708 ( -4.062 0.000 -8.426) 9.355 8.529 ( -10.402 0.000 4.130) 11.192 8.988 ( -8.081 0.000 7.287) 10.881 9.239 ( -14.384 0.000 -3.542) 14.814 9.619 ( -2.378 0.000 1.224) 2.674 10.605 ( 1.810 -0.000 4.466) 4.818 11.177 ( 12.048 -0.000 -1.784) 12.180 18.807 ( 2.572 -0.000 1.415) 2.935 19.161 ( 2.116 -0.000 -6.346) 6.689 19.401 ( -2.439 0.000 4.037) 4.716 19.564 ( -4.212 0.000 -0.704) 4.271 39.443 ( -0.301 0.000 0.035) 0.303 39.448 ( -0.976 0.000 -0.080) 0.980 62.060 ( 2.898 -0.000 6.242) 6.881 62.614 ( 0.149 -0.000 -2.771) 2.775 ======================= Grid point 235 (80/228) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 9.779 6.427 -3.208) 12.134 2.292 ( 7.114 -5.762 -12.503) 15.496 2.853 ( 13.159 1.312 7.705) 15.305 3.451 ( -1.001 -1.676 -12.610) 12.760 4.511 ( 5.050 0.322 12.427) 13.418 4.675 ( 22.874 -5.128 2.575) 23.583 5.320 ( 7.644 -0.400 2.566) 8.073 5.704 ( 0.864 1.189 -2.286) 2.718 5.790 ( 5.660 -1.815 -6.324) 8.679 5.980 ( -4.874 5.082 2.766) 7.565 6.061 ( 1.352 -2.122 1.554) 2.957 6.363 ( 3.818 -4.439 -1.426) 6.027 6.722 ( -6.434 -2.901 1.085) 7.140 7.278 ( -4.771 -4.108 -6.162) 8.809 7.414 ( 1.648 -1.044 0.178) 1.959 7.617 ( -5.194 0.885 -6.318) 8.227 8.341 ( -8.387 2.432 2.147) 8.992 8.781 ( -9.440 11.827 8.742) 17.476 8.993 ( -13.552 -7.384 -2.889) 15.701 9.553 ( -3.921 2.328 1.034) 4.676 10.625 ( 1.691 2.506 5.095) 5.924 11.362 ( 7.587 0.474 -3.412) 8.333 18.851 ( 2.113 -0.065 1.716) 2.723 19.186 ( 1.229 1.278 -4.668) 4.993 19.353 ( -1.948 1.323 2.814) 3.669 19.495 ( -3.476 -0.921 -0.790) 3.682 39.428 ( -0.766 0.892 0.041) 1.177 39.434 ( -0.393 0.446 -0.028) 0.595 62.147 ( 5.002 -2.547 4.667) 7.300 62.702 ( 4.841 -8.347 -3.540) 10.278 ======================= Grid point 236 (81/228) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 8.906 9.077 -3.633) 13.225 2.437 ( 4.899 -3.748 -8.865) 10.800 3.073 ( 10.767 2.870 3.708) 11.744 3.431 ( -2.547 -2.503 -2.818) 4.549 4.618 ( 5.555 -2.318 7.255) 9.426 5.054 ( 11.954 -7.136 -2.426) 14.132 5.428 ( 2.782 2.664 -1.259) 4.053 5.609 ( -3.127 6.082 1.026) 6.915 5.848 ( -1.484 1.638 -0.046) 2.211 5.917 ( 0.071 -3.575 0.085) 3.577 6.158 ( 5.894 1.268 2.202) 6.418 6.497 ( 5.242 -5.111 -6.470) 9.770 6.695 ( -0.048 -6.218 3.723) 7.248 7.251 ( -3.007 -10.641 -6.972) 13.072 7.484 ( 2.170 -0.364 0.186) 2.208 7.508 ( -4.256 0.404 -3.774) 5.702 8.187 ( -4.840 5.046 -0.246) 6.996 8.484 ( -11.078 9.665 7.484) 16.497 8.856 ( -7.979 -6.950 1.580) 10.699 9.432 ( -5.759 4.849 2.904) 8.069 10.636 ( 2.270 3.309 3.980) 5.652 11.442 ( 1.777 1.353 -4.961) 5.441 18.885 ( 1.376 -0.032 1.883) 2.332 19.185 ( 0.250 2.255 -3.109) 3.849 19.312 ( -1.330 0.887 1.752) 2.372 19.451 ( -2.297 -1.412 -1.027) 2.885 39.407 ( -0.537 1.213 0.111) 1.331 39.421 ( -0.498 0.642 -0.079) 0.816 62.276 ( 6.210 -2.860 4.531) 8.202 62.913 ( 10.104 -8.328 -4.556) 13.864 ======================= Grid point 237 (82/228) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 10.554 11.686 -1.374) 15.806 2.547 ( 5.264 -0.072 -6.597) 8.440 3.164 ( 1.931 4.622 2.431) 5.568 3.432 ( 0.479 -3.881 -1.432) 4.165 4.732 ( 3.414 -2.730 4.478) 6.258 5.223 ( 0.481 -4.686 -2.479) 5.323 5.342 ( -4.207 2.132 -2.236) 5.220 5.638 ( 7.457 8.150 1.594) 11.162 5.756 ( -4.442 1.719 3.992) 6.214 5.950 ( -0.976 -5.582 -5.882) 8.167 6.232 ( 2.563 0.841 3.365) 4.313 6.609 ( 1.821 -5.391 -4.640) 7.342 6.803 ( 5.189 -5.387 0.955) 7.540 7.321 ( 0.109 -6.690 -9.545) 11.657 7.391 ( -4.646 -1.009 -2.264) 5.266 7.569 ( 2.767 -4.354 1.235) 5.304 8.053 ( -3.921 9.306 5.012) 11.274 8.287 ( -4.855 -1.994 1.606) 5.489 8.811 ( -2.329 -6.095 5.535) 8.556 9.263 ( -7.024 6.868 5.968) 11.495 10.657 ( 3.060 4.204 1.474) 5.404 11.410 ( -3.772 1.162 -6.265) 7.405 18.901 ( 0.439 0.100 1.899) 1.952 19.159 ( -0.957 2.440 -1.810) 3.185 19.291 ( -0.591 0.110 0.948) 1.123 19.433 ( -1.035 -1.600 -1.268) 2.289 39.388 ( -0.416 1.164 0.126) 1.242 39.406 ( -0.599 0.564 -0.099) 0.829 62.415 ( 6.755 -1.078 5.358) 8.689 63.204 ( 15.590 -3.619 -5.788) 17.019 ======================= Grid point 238 (83/228) ======================= q-point: (-0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 12.307 16.192 0.402) 20.342 2.631 ( 4.569 2.230 -4.147) 6.561 3.098 ( -4.651 3.413 2.544) 6.305 3.492 ( 2.804 -1.967 -3.788) 5.107 4.758 ( -3.025 -1.889 2.988) 4.653 5.154 ( -10.166 -2.046 -1.702) 10.509 5.328 ( 2.619 -0.159 2.397) 3.554 5.588 ( -2.976 3.701 0.934) 4.840 5.787 ( 7.548 5.736 1.158) 9.551 5.972 ( -1.976 -5.507 -6.134) 8.477 6.226 ( -2.139 1.724 1.795) 3.282 6.658 ( -1.963 -7.715 -1.833) 8.169 6.938 ( 5.832 -1.257 -2.487) 6.463 7.277 ( -1.917 3.175 -5.601) 6.717 7.390 ( -1.251 -3.034 -6.030) 6.866 7.671 ( 2.212 -6.654 0.094) 7.013 7.939 ( -0.893 2.743 9.595) 10.019 8.319 ( 2.887 -6.736 -1.714) 7.526 8.873 ( 2.761 -7.674 7.597) 11.146 9.073 ( -6.646 6.740 8.699) 12.856 10.660 ( 1.209 6.835 -0.710) 6.977 11.305 ( -6.715 -1.398 -7.239) 9.972 18.899 ( -0.564 0.318 1.745) 1.861 19.113 ( -2.039 1.664 -1.248) 2.913 19.285 ( -0.150 -0.242 0.817) 0.865 19.438 ( 0.166 -1.733 -1.383) 2.224 39.373 ( -0.336 0.902 0.104) 0.969 39.391 ( -0.620 0.265 -0.039) 0.675 62.538 ( 6.772 2.239 6.849) 9.889 63.544 ( 20.728 3.746 -7.348) 22.309 ======================= Grid point 239 (84/228) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 13.226 22.847 0.584) 26.406 2.678 ( 1.793 1.024 -1.446) 2.521 2.944 ( -8.483 3.874 2.854) 9.752 3.564 ( 3.990 -0.105 -6.421) 7.561 4.648 ( -9.876 -0.423 3.446) 10.469 4.864 ( -21.822 -1.407 0.233) 21.869 5.423 ( 5.503 -2.046 3.267) 6.719 5.572 ( 4.566 3.233 2.049) 5.957 5.872 ( 5.804 5.672 -2.549) 8.506 5.947 ( -3.781 -2.092 -1.499) 4.573 6.144 ( -4.063 1.196 -2.229) 4.786 6.676 ( -3.102 -8.851 -1.826) 9.555 7.024 ( 3.730 3.343 -0.677) 5.054 7.261 ( 2.711 1.019 -6.595) 7.202 7.385 ( -0.536 -1.378 -6.474) 6.641 7.724 ( 0.394 -1.804 3.296) 3.778 7.989 ( 3.980 -4.103 4.462) 7.252 8.456 ( 4.822 -6.437 1.733) 8.228 8.918 ( -3.445 1.627 7.301) 8.235 9.042 ( 5.304 -9.565 8.275) 13.715 10.561 ( -5.293 8.278 -1.528) 9.944 11.211 ( -5.206 -3.427 -7.909) 10.070 18.876 ( -1.441 0.572 1.446) 2.121 19.057 ( -3.080 0.527 -1.160) 3.333 19.288 ( 0.090 -0.494 1.153) 1.258 19.467 ( 1.238 -1.967 -1.436) 2.732 39.362 ( -0.158 0.415 0.005) 0.444 39.380 ( -0.370 -0.131 0.191) 0.436 62.626 ( 6.358 6.444 8.790) 12.618 63.909 ( 25.304 12.206 -9.378) 29.618 ======================= Grid point 240 (85/228) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 9.047 27.152 2.141) 28.699 2.620 ( -9.718 5.462 -1.217) 11.214 2.796 ( 0.240 1.583 3.451) 3.804 3.633 ( 3.292 1.926 -12.474) 13.044 4.338 ( -25.679 2.831 5.091) 26.332 4.469 ( -16.990 -2.207 6.673) 18.386 5.531 ( 4.271 -1.838 -0.865) 4.730 5.652 ( 3.404 3.539 1.063) 5.024 5.823 ( -4.072 2.142 2.384) 5.182 5.961 ( 4.307 4.439 -1.621) 6.394 6.121 ( 2.528 -2.675 -2.421) 4.406 6.701 ( -1.369 -7.714 -4.584) 9.077 7.021 ( 0.887 5.921 2.623) 6.536 7.347 ( 5.464 0.439 -7.006) 8.895 7.401 ( 0.654 -1.390 -6.788) 6.960 7.751 ( 1.897 -1.623 6.488) 6.951 8.102 ( 4.136 -4.260 -1.193) 6.056 8.578 ( 4.402 -3.008 9.817) 11.171 8.914 ( 0.086 -8.118 1.452) 8.248 9.233 ( 5.439 -10.290 6.435) 13.300 10.343 ( -12.002 3.930 -1.093) 12.676 11.156 ( -2.901 -0.462 -8.427) 8.924 18.837 ( -2.021 0.805 1.080) 2.429 18.990 ( -4.069 -0.644 -1.258) 4.307 19.296 ( 0.225 -0.785 1.754) 1.935 19.516 ( 2.072 -2.381 -1.537) 3.511 39.360 ( -0.095 -0.419 -0.111) 0.443 39.383 ( 0.580 -0.369 0.529) 0.867 62.666 ( 5.578 10.890 10.995) 16.450 64.285 ( 29.477 20.397 -12.178) 37.858 ======================= Grid point 241 (86/228) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -9.561 20.566 2.308) 22.797 2.326 ( -6.487 16.429 4.749) 18.290 2.868 ( 7.306 3.697 -2.042) 8.439 3.579 ( -9.734 4.475 -17.582) 20.589 3.777 ( -24.789 10.416 9.000) 28.355 4.248 ( -9.260 -5.515 10.039) 14.730 5.585 ( -3.605 4.713 -0.298) 5.941 5.618 ( 3.576 -1.191 -2.759) 4.671 5.775 ( -1.345 0.087 1.742) 2.203 5.986 ( 2.346 4.420 -3.475) 6.092 6.273 ( 9.063 -3.133 5.546) 11.077 6.747 ( 1.646 -2.318 -7.150) 7.695 6.989 ( 0.360 3.540 2.128) 4.146 7.362 ( -2.080 4.875 3.300) 6.243 7.454 ( 4.686 0.320 -10.739) 11.721 7.846 ( 4.843 -5.194 6.193) 9.422 8.231 ( 5.615 -7.153 -5.379) 10.565 8.701 ( 5.653 -5.048 13.913) 15.843 9.014 ( 0.554 -12.462 -3.453) 12.943 9.392 ( 2.587 -9.482 5.305) 11.169 10.070 ( -16.605 -3.119 -0.006) 16.896 11.098 ( -1.458 4.987 -8.883) 10.291 18.790 ( -2.196 0.992 0.708) 2.511 18.916 ( -4.934 -1.589 -1.398) 5.369 19.309 ( 0.283 -1.142 2.565) 2.822 19.581 ( 2.514 -2.952 -1.700) 4.234 39.365 ( -0.078 -1.289 0.121) 1.297 39.410 ( 1.932 -0.457 0.557) 2.062 62.654 ( 4.467 14.933 13.269) 20.470 64.675 ( 33.498 27.056 -16.530) 46.124 ======================= Grid point 242 (87/228) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -16.837 20.324 3.134) 26.578 2.051 ( -9.943 17.880 10.039) 22.789 2.967 ( 7.710 7.709 -5.420) 12.176 3.130 ( -22.225 14.584 8.414) 27.882 3.359 ( -14.234 13.255 -8.606) 21.270 4.213 ( -1.087 -5.927 1.489) 6.207 5.509 ( -1.034 1.904 1.096) 2.429 5.680 ( 2.423 1.956 -2.114) 3.764 5.755 ( -1.334 -2.219 -0.515) 2.640 5.984 ( 1.066 3.130 -4.412) 5.514 6.435 ( 5.630 -0.337 7.354) 9.267 6.792 ( 4.236 5.121 -3.243) 7.395 6.978 ( -0.740 0.056 -2.078) 2.206 7.257 ( -2.388 6.000 6.969) 9.501 7.540 ( 4.510 0.112 -8.920) 9.996 7.977 ( 4.107 -4.835 5.713) 8.537 8.449 ( 8.530 -12.914 -5.565) 16.447 8.865 ( 5.485 -8.711 12.336) 16.067 9.123 ( -0.025 -12.620 -5.291) 13.684 9.479 ( -1.177 -8.534 5.050) 9.986 9.786 ( -19.114 -9.646 1.692) 21.477 11.020 ( -0.225 10.069 -8.995) 13.504 18.742 ( -1.907 1.130 0.362) 2.246 18.832 ( -5.547 -1.834 -1.399) 6.007 19.325 ( 0.278 -1.638 3.614) 3.978 19.655 ( 2.399 -3.533 -1.872) 4.663 39.379 ( 0.056 -1.934 0.522) 2.004 39.459 ( 2.795 -0.280 0.331) 2.828 62.588 ( 3.067 17.850 15.347) 23.739 65.092 ( 36.584 30.690 -24.366) 53.609 ======================= Grid point 243 (88/228) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -11.311 22.025 9.892) 26.662 1.656 ( -16.132 16.496 17.482) 28.948 2.640 ( -7.708 38.034 14.890) 41.566 2.979 ( -7.722 6.162 -7.210) 12.231 3.038 ( -1.119 8.606 -10.500) 13.622 4.262 ( 0.921 -5.001 -7.389) 8.970 5.516 ( 2.534 0.370 1.206) 2.831 5.654 ( -2.539 1.884 -0.591) 3.216 5.769 ( 0.628 0.244 -2.261) 2.359 5.988 ( 1.212 0.723 -6.207) 6.366 6.485 ( 1.871 4.118 5.319) 6.982 6.813 ( 2.969 6.163 2.285) 7.212 6.917 ( -3.955 3.167 0.960) 5.157 7.242 ( 2.863 -0.362 1.241) 3.141 7.604 ( 2.517 1.547 -6.046) 6.729 8.076 ( 2.639 -3.814 4.849) 6.709 8.721 ( 7.314 -14.362 -1.443) 16.181 9.024 ( 2.597 -9.612 6.574) 11.931 9.225 ( 0.497 -11.859 -4.449) 12.676 9.492 ( -6.930 -9.355 -1.640) 11.757 9.561 ( -12.076 -15.167 12.507) 23.071 10.926 ( 0.331 12.909 -8.197) 15.295 18.703 ( -1.146 1.187 0.085) 1.652 18.742 ( -4.973 -0.688 -0.874) 5.096 19.346 ( 0.207 -2.467 4.965) 5.548 19.724 ( 1.588 -3.889 -1.991) 4.649 39.398 ( 0.106 -2.343 0.875) 2.503 39.510 ( 2.345 0.270 -0.102) 2.362 62.479 ( 1.508 18.761 16.830) 25.249 65.505 ( 32.317 29.762 -39.474) 59.063 ======================= Grid point 244 (89/228) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 17.869 20.441) 27.150 1.294 ( -0.000 19.714 23.500) 30.674 2.192 ( -0.000 50.222 17.950) 53.334 2.841 ( 0.000 -0.142 -9.183) 9.184 2.981 ( -0.000 11.541 -9.595) 15.009 4.315 ( 0.000 -4.927 -12.156) 13.117 5.575 ( -0.000 0.160 1.481) 1.489 5.595 ( -0.000 0.223 -3.308) 3.316 5.735 ( -0.000 8.418 -6.995) 10.945 6.004 ( 0.000 -0.387 -7.662) 7.671 6.452 ( -0.000 6.818 8.287) 10.731 6.799 ( -0.000 7.245 10.663) 12.891 6.849 ( 0.000 -1.797 -4.486) 4.833 7.291 ( 0.000 -0.695 -2.330) 2.431 7.600 ( -0.000 3.280 -3.702) 4.946 8.122 ( -0.000 0.086 1.467) 1.470 8.909 ( 0.000 -12.368 2.633) 12.645 9.108 ( 0.000 -7.130 1.552) 7.297 9.334 ( 0.000 -9.779 -1.619) 9.912 9.466 ( 0.000 -15.107 -2.874) 15.378 9.621 ( 0.000 -21.131 20.516) 29.452 10.823 ( -0.000 12.576 -5.863) 13.875 18.682 ( -0.000 1.004 -0.048) 1.005 18.684 ( -0.000 0.955 -0.012) 0.956 19.375 ( 0.000 -3.962 6.599) 7.697 19.772 ( 0.000 -3.679 -2.032) 4.203 39.419 ( 0.000 -2.480 1.031) 2.686 39.529 ( -0.000 0.958 -0.499) 1.080 62.344 ( -0.000 16.783 17.223) 24.048 65.623 ( -0.000 33.169 -59.783) 68.368 ======================= Grid point 249 (90/228) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 6.853 -0.000 -4.842) 8.391 2.412 ( 8.921 -0.000 -9.364) 12.933 3.104 ( 12.093 -0.000 4.758) 12.996 3.404 ( -3.491 0.000 -2.959) 4.576 4.597 ( 5.151 -0.000 7.801) 9.348 4.990 ( 12.993 -0.000 -2.384) 13.210 5.453 ( 3.120 -0.000 -1.821) 3.612 5.664 ( -2.378 0.000 1.751) 2.954 5.857 ( 1.760 -0.000 -6.464) 6.700 5.890 ( -3.734 0.000 6.581) 7.567 6.172 ( 5.897 -0.000 2.113) 6.264 6.451 ( 6.563 -0.000 -6.068) 8.938 6.643 ( 0.574 -0.000 3.615) 3.660 7.149 ( -4.466 0.000 -5.615) 7.175 7.476 ( 3.605 -0.000 1.420) 3.874 7.519 ( -5.791 0.000 -4.438) 7.296 8.221 ( -5.184 0.000 -0.359) 5.196 8.634 ( -16.728 0.000 -3.281) 17.047 8.739 ( -4.407 0.000 10.201) 11.112 9.473 ( -5.682 0.000 1.571) 5.895 10.666 ( 1.994 -0.000 4.472) 4.897 11.453 ( 1.787 -0.000 -4.368) 4.720 18.884 ( 1.424 -0.000 1.905) 2.379 19.205 ( 0.259 -0.000 -3.581) 3.590 19.323 ( -1.796 0.000 1.809) 2.549 19.436 ( -2.362 0.000 -0.742) 2.476 39.418 ( -0.691 0.000 0.044) 0.693 39.427 ( -0.586 0.000 -0.074) 0.591 62.252 ( 7.128 -0.000 4.297) 8.323 62.841 ( 12.931 -0.000 -4.127) 13.574 ======================= Grid point 250 (91/228) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 6.661 1.159 -3.152) 7.460 2.604 ( 12.943 4.312 -6.440) 15.086 3.253 ( 2.612 5.984 1.811) 6.775 3.354 ( -0.250 -5.497 0.771) 5.557 4.692 ( 3.247 -1.654 4.827) 6.048 5.160 ( 3.648 -2.286 -3.151) 5.336 5.376 ( -5.541 1.369 -2.981) 6.439 5.747 ( 6.900 4.126 2.915) 8.552 5.781 ( -4.749 1.116 6.692) 8.281 5.871 ( -1.347 -3.339 -8.337) 9.082 6.242 ( 2.215 0.296 3.950) 4.539 6.550 ( 2.251 -1.674 -4.444) 5.255 6.752 ( 9.032 -0.883 0.402) 9.084 7.153 ( 1.341 -8.016 -4.820) 9.449 7.406 ( -5.749 0.723 -2.511) 6.315 7.531 ( 1.855 -0.927 2.222) 3.039 8.155 ( -1.461 1.970 -2.664) 3.622 8.315 ( -13.068 4.422 0.211) 13.797 8.708 ( -1.989 -5.072 9.154) 10.653 9.342 ( -7.158 2.520 3.741) 8.461 10.711 ( 3.837 1.914 2.037) 4.747 11.424 ( -4.697 0.450 -5.237) 7.049 18.903 ( 0.543 0.046 1.917) 1.993 19.192 ( -1.208 1.244 -2.466) 3.015 19.294 ( -1.030 0.186 1.080) 1.504 19.409 ( -1.066 -1.004 -0.889) 1.714 39.403 ( -0.605 0.531 0.039) 0.806 39.413 ( -0.767 0.246 -0.085) 0.810 62.402 ( 8.444 -0.480 5.211) 9.934 63.158 ( 19.738 -1.626 -5.475) 20.547 ======================= Grid point 251 (92/228) ======================= q-point: (-0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 7.067 0.198 0.091) 7.070 2.797 ( 15.003 14.150 -4.296) 21.065 3.154 ( -5.940 3.016 2.167) 7.006 3.450 ( 4.195 -2.675 -1.853) 5.309 4.706 ( -4.655 -3.901 3.010) 6.778 5.132 ( -8.474 -0.804 -2.591) 8.898 5.333 ( 2.141 0.715 1.520) 2.721 5.620 ( -5.931 0.632 3.739) 7.040 5.879 ( 0.090 -3.255 -8.670) 9.261 5.899 ( 8.097 4.980 1.165) 9.577 6.252 ( -0.872 1.236 3.148) 3.492 6.559 ( -2.886 -3.592 -0.060) 4.608 6.935 ( 9.905 0.871 -4.642) 10.973 7.287 ( 3.407 -8.872 -7.122) 11.876 7.305 ( -4.251 0.172 -0.501) 4.284 7.571 ( 1.066 -3.833 2.762) 4.844 8.030 ( -5.697 6.889 4.033) 9.807 8.219 ( 0.989 -4.808 -2.753) 5.628 8.752 ( 1.697 -6.561 8.805) 11.111 9.172 ( -7.739 4.539 6.615) 11.147 10.767 ( 4.575 5.478 -1.108) 7.223 11.284 ( -9.795 -1.154 -5.901) 11.493 18.903 ( -0.415 0.201 1.744) 1.804 19.143 ( -2.615 1.642 -1.618) 3.486 19.282 ( -0.324 -0.133 0.781) 0.856 19.410 ( 0.102 -1.481 -1.075) 1.833 39.387 ( -0.534 0.759 -0.005) 0.928 39.396 ( -0.826 0.254 -0.030) 0.865 62.564 ( 8.954 0.969 7.034) 11.428 63.583 ( 25.213 1.237 -7.330) 26.286 ======================= Grid point 252 (93/228) ======================= q-point: (-0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 6.490 -0.932 2.015) 6.859 2.901 ( 11.951 22.966 -1.874) 25.957 3.007 ( -6.470 4.298 2.711) 8.227 3.544 ( 3.973 -1.992 -3.572) 5.702 4.593 ( -11.676 -6.548 1.488) 13.469 4.862 ( -19.782 1.037 -1.595) 19.873 5.405 ( 4.584 -0.400 3.101) 5.549 5.595 ( 3.833 0.013 4.023) 5.557 5.881 ( -3.192 -4.176 -7.219) 8.930 5.992 ( 6.945 7.381 -1.365) 10.226 6.182 ( -4.392 3.060 0.288) 5.361 6.533 ( -4.097 -7.280 2.724) 8.787 7.091 ( 8.445 4.135 -5.137) 10.715 7.252 ( -1.075 -1.233 -1.254) 2.061 7.377 ( 1.837 -1.285 -9.224) 9.492 7.648 ( 1.671 -7.029 1.626) 7.405 7.952 ( 1.059 0.728 6.984) 7.101 8.322 ( 3.569 -8.274 -1.168) 9.086 8.876 ( 4.586 -8.147 7.909) 12.246 8.995 ( -6.483 4.283 9.103) 11.968 10.724 ( -4.266 10.787 -2.875) 11.951 11.144 ( -5.622 -4.890 -7.029) 10.243 18.884 ( -1.273 0.437 1.424) 1.959 19.072 ( -3.607 1.203 -1.249) 4.002 19.281 ( -0.061 -0.350 1.002) 1.063 19.435 ( 1.048 -1.783 -1.214) 2.399 39.371 ( -0.596 0.567 -0.121) 0.832 39.381 ( -0.413 0.187 0.161) 0.481 62.711 ( 8.731 3.864 9.424) 13.415 64.061 ( 29.127 6.507 -9.633) 31.361 ======================= Grid point 253 (94/228) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -0.859 -0.321 0.277) 0.958 2.822 ( -4.649 8.070 5.867) 11.007 2.904 ( 9.308 25.269 0.527) 26.934 3.633 ( 3.667 -1.873 -6.187) 7.432 4.356 ( -21.738 -1.261 1.989) 21.865 4.440 ( -19.756 -1.297 1.043) 19.826 5.498 ( 4.401 -1.704 -0.926) 4.810 5.692 ( 3.148 1.263 1.217) 3.604 5.850 ( -1.085 -0.179 2.814) 3.021 6.038 ( 3.876 5.493 -2.437) 7.151 6.089 ( -1.506 -0.387 -1.676) 2.286 6.541 ( -2.186 -9.613 0.175) 9.860 7.143 ( 2.812 7.640 1.904) 8.361 7.313 ( 4.442 -3.194 -5.697) 7.898 7.417 ( 3.796 2.253 -10.333) 11.236 7.721 ( 1.653 -3.222 2.590) 4.452 8.024 ( 3.708 -4.132 3.646) 6.642 8.469 ( 3.588 -10.031 2.371) 10.914 8.855 ( -4.283 0.713 8.298) 9.365 9.065 ( 5.618 -9.720 7.544) 13.526 10.444 ( -15.765 7.449 -2.568) 17.624 11.147 ( 1.646 -0.777 -8.978) 9.161 18.850 ( -1.855 0.701 1.036) 2.238 18.991 ( -4.352 0.522 -1.041) 4.505 19.285 ( 0.063 -0.592 1.435) 1.554 19.477 ( 1.711 -2.193 -1.375) 3.103 39.357 ( -0.607 0.010 -0.069) 0.611 39.381 ( 0.508 -0.005 0.259) 0.570 62.820 ( 7.864 7.608 12.075) 16.295 64.551 ( 31.465 12.186 -12.473) 35.974 ======================= Grid point 254 (95/228) ======================= q-point: (-0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -11.335 10.121 1.778) 15.300 2.638 ( -6.966 15.499 5.873) 17.979 2.955 ( 10.275 9.900 -0.057) 14.269 3.650 ( -7.466 3.367 -11.750) 14.323 3.887 ( -18.360 1.839 5.359) 19.214 4.180 ( -11.324 -1.559 5.948) 12.886 5.578 ( 1.107 -1.462 -3.105) 3.606 5.661 ( -1.259 1.932 -1.935) 3.010 5.799 ( -2.777 3.294 3.558) 5.588 6.048 ( 0.882 3.266 -2.408) 4.153 6.205 ( 8.737 -4.865 6.284) 11.811 6.620 ( 2.208 -9.996 -6.120) 11.927 7.114 ( 1.837 9.040 3.276) 9.789 7.394 ( 1.641 -0.511 -3.509) 3.908 7.487 ( 5.141 2.897 -7.748) 9.739 7.783 ( 3.296 -2.329 4.779) 6.255 8.131 ( 3.980 -5.047 -2.610) 6.937 8.607 ( 3.228 -7.920 7.642) 11.469 8.829 ( -1.738 -8.197 3.933) 9.257 9.234 ( 3.614 -9.362 6.622) 12.023 10.063 ( -20.298 1.629 -1.500) 20.418 11.181 ( 3.396 4.866 -10.841) 12.358 18.806 ( -2.037 0.951 0.651) 2.340 18.903 ( -4.742 -0.056 -0.852) 4.818 19.292 ( 0.129 -0.855 1.969) 2.151 19.533 ( 2.015 -2.787 -1.591) 3.789 39.350 ( -0.403 -0.606 0.165) 0.746 39.403 ( 1.641 -0.506 0.216) 1.731 62.875 ( 6.427 11.617 14.696) 19.805 65.028 ( 32.213 16.363 -16.207) 39.599 ======================= Grid point 255 (96/228) ======================= q-point: (-0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -13.537 18.159 3.428) 22.908 2.309 ( -14.682 13.438 8.094) 21.486 3.057 ( 5.116 3.497 -2.090) 6.540 3.269 ( -18.529 5.933 -5.005) 20.089 3.677 ( -3.682 18.966 0.173) 19.321 4.099 ( -1.288 -6.626 4.821) 8.295 5.535 ( -2.269 1.614 0.934) 2.936 5.693 ( 2.542 0.129 -2.041) 3.263 5.732 ( -2.533 -0.223 0.588) 2.610 6.021 ( -1.367 1.589 -2.659) 3.386 6.384 ( 5.023 -5.082 5.536) 9.039 6.776 ( 6.431 -5.913 -7.593) 11.575 7.071 ( 1.979 9.714 2.796) 10.300 7.360 ( -2.643 5.631 4.292) 7.558 7.563 ( 5.571 1.868 -6.229) 8.563 7.880 ( 2.807 -5.377 5.763) 8.367 8.279 ( 6.931 -7.481 -6.892) 12.309 8.728 ( 3.021 -8.171 10.173) 13.393 8.903 ( -0.705 -13.722 -1.097) 13.784 9.342 ( 0.321 -7.818 6.345) 10.074 9.681 ( -21.036 -3.715 -0.261) 21.363 11.185 ( 3.342 9.690 -12.124) 15.877 18.761 ( -1.761 1.165 0.312) 2.134 18.817 ( -4.559 -0.181 -0.611) 4.603 19.303 ( 0.145 -1.127 2.591) 2.829 19.596 ( 1.872 -3.489 -1.822) 4.358 39.352 ( -0.151 -1.230 0.501) 1.336 39.448 ( 2.471 -1.010 0.030) 2.670 62.866 ( 4.490 15.341 16.957) 23.303 65.476 ( 30.440 17.314 -21.623) 41.157 ======================= Grid point 256 (97/228) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -12.984 20.426 7.384) 25.304 1.919 ( -12.903 15.692 13.399) 24.336 2.924 ( -9.899 1.774 -4.689) 11.096 3.131 ( 1.797 6.293 -4.154) 7.751 3.406 ( -0.823 34.557 1.723) 34.610 4.165 ( 0.947 -6.941 -1.002) 7.076 5.516 ( 1.494 0.787 2.693) 3.179 5.658 ( -4.189 -0.049 0.440) 4.213 5.756 ( 1.622 -1.889 1.251) 2.787 5.990 ( -0.983 -0.447 -4.328) 4.461 6.479 ( 1.497 -4.160 -1.651) 4.719 6.897 ( 3.474 2.113 -3.025) 5.068 7.029 ( 1.559 9.605 3.158) 10.231 7.262 ( -1.599 3.811 6.301) 7.535 7.650 ( 5.341 3.543 -4.692) 7.944 7.961 ( -0.015 -8.686 7.776) 11.658 8.502 ( 7.673 -11.065 -5.184) 14.429 8.857 ( 2.360 -10.393 6.425) 12.445 9.013 ( 0.122 -14.169 -2.834) 14.450 9.347 ( -13.206 -7.467 -5.177) 16.029 9.401 ( -5.276 -6.321 12.583) 15.038 11.142 ( 2.000 12.963 -12.373) 18.031 18.724 ( -1.054 1.311 0.060) 1.683 18.741 ( -3.292 0.416 -0.249) 3.328 19.316 ( 0.105 -1.433 3.314) 3.612 19.657 ( 1.205 -4.102 -2.002) 4.721 39.364 ( 0.003 -1.777 0.824) 1.959 39.503 ( 2.098 -1.145 -0.266) 2.404 62.790 ( 2.216 18.197 18.406) 25.977 65.850 ( 22.274 14.501 -29.710) 39.864 ======================= Grid point 257 (98/228) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.000 18.762 14.485) 23.703 1.627 ( -0.000 20.539 16.337) 26.244 2.835 ( 0.000 -0.696 -7.896) 7.926 2.966 ( -0.000 37.261 10.010) 38.582 3.178 ( -0.000 16.614 -9.189) 18.986 4.228 ( 0.000 -5.861 -5.772) 8.226 5.571 ( 0.000 -1.394 2.617) 2.965 5.577 ( -0.000 0.090 1.592) 1.595 5.786 ( 0.000 -0.793 1.268) 1.496 5.991 ( 0.000 -1.176 -6.199) 6.310 6.515 ( 0.000 -0.925 -2.820) 2.968 6.885 ( -0.000 5.624 -1.319) 5.777 6.949 ( -0.000 10.934 8.615) 13.920 7.258 ( 0.000 -2.085 0.140) 2.089 7.668 ( -0.000 4.990 -3.456) 6.070 8.037 ( 0.000 -9.370 8.572) 12.699 8.688 ( 0.000 -13.263 -0.812) 13.288 8.968 ( 0.000 -9.734 1.149) 9.801 9.140 ( 0.000 -13.587 -1.264) 13.645 9.240 ( 0.000 -10.562 -3.686) 11.187 9.422 ( 0.000 -6.947 11.847) 13.734 11.048 ( -0.000 14.130 -11.125) 17.984 18.699 ( -0.000 1.083 0.010) 1.083 18.703 ( -0.000 1.334 -0.015) 1.335 19.331 ( 0.000 -1.851 4.133) 4.528 19.704 ( 0.000 -4.346 -2.071) 4.815 39.380 ( 0.000 -2.165 0.978) 2.376 39.533 ( 0.000 -0.633 -0.442) 0.772 62.654 ( -0.000 19.527 18.493) 26.894 65.975 ( -0.000 13.544 -39.003) 41.288 ======================= Grid point 264 (99/228) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 5.992 -0.000 0.779) 6.043 2.934 ( 18.866 -0.000 -5.496) 19.650 3.182 ( -7.610 0.000 1.992) 7.866 3.424 ( 5.420 -0.000 -1.032) 5.517 4.665 ( -6.417 0.000 3.697) 7.406 5.125 ( -7.136 0.000 -3.075) 7.771 5.342 ( 1.789 -0.000 1.016) 2.057 5.623 ( -7.167 0.000 5.296) 8.911 5.841 ( -0.396 0.000 -11.056) 11.063 5.955 ( 9.548 -0.000 2.353) 9.834 6.262 ( -0.078 0.000 3.927) 3.928 6.535 ( -3.219 0.000 -1.781) 3.679 6.954 ( 11.546 -0.000 -4.052) 12.236 7.179 ( 4.999 -0.000 -3.562) 6.138 7.308 ( -4.775 0.000 -0.010) 4.775 7.543 ( 0.135 -0.000 2.818) 2.821 8.107 ( -9.450 0.000 0.334) 9.456 8.170 ( 1.666 -0.000 -3.869) 4.213 8.689 ( 1.844 -0.000 10.508) 10.669 9.210 ( -7.962 0.000 5.643) 9.759 10.816 ( 6.451 -0.000 -1.308) 6.582 11.273 ( -11.571 0.000 -5.193) 12.683 18.905 ( -0.362 0.000 1.746) 1.783 19.158 ( -2.920 0.000 -1.850) 3.456 19.281 ( -0.413 0.000 0.776) 0.879 19.397 ( 0.198 -0.000 -0.886) 0.908 39.394 ( -0.567 0.000 -0.020) 0.567 39.398 ( -0.960 0.000 -0.057) 0.962 62.572 ( 9.725 -0.000 7.084) 12.031 63.592 ( 26.802 -0.000 -7.296) 27.777 ======================= Grid point 265 (100/228) ======================= q-point: (-0.64 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 5.522 -1.093 4.624) 7.285 3.035 ( -7.231 1.360 2.988) 7.941 3.249 ( 18.638 13.000 -5.465) 23.372 3.515 ( 4.326 -1.067 -2.110) 4.930 4.463 ( -16.496 -6.620 2.906) 18.011 4.884 ( -18.184 1.011 -3.145) 18.482 5.404 ( 3.440 0.097 1.543) 3.771 5.591 ( 4.797 -0.180 6.091) 7.755 5.826 ( -2.826 -2.008 -9.719) 10.319 6.096 ( 7.153 4.205 -1.213) 8.386 6.225 ( -3.529 1.573 1.932) 4.320 6.450 ( -5.942 -2.628 2.221) 6.867 7.153 ( 11.127 3.180 -7.596) 13.842 7.241 ( -2.264 -0.188 2.095) 3.090 7.315 ( 5.841 -4.927 -5.234) 9.262 7.555 ( 0.629 -2.944 2.809) 4.118 7.988 ( -1.872 2.139 2.812) 3.999 8.221 ( 2.043 -3.393 -2.858) 4.884 8.769 ( 4.818 -3.889 9.734) 11.537 9.053 ( -7.754 2.023 7.831) 11.204 10.896 ( -1.413 9.616 -4.205) 10.589 11.046 ( -8.203 -7.090 -5.488) 12.152 18.889 ( -1.181 0.164 1.417) 1.852 19.089 ( -4.048 0.624 -1.418) 4.334 19.276 ( -0.139 -0.129 0.933) 0.952 19.413 ( 1.100 -0.759 -1.012) 1.677 39.378 ( -0.978 0.223 -0.018) 1.003 39.385 ( -0.369 0.146 -0.038) 0.399 62.753 ( 9.991 1.266 9.722) 13.997 64.129 ( 31.062 1.991 -9.683) 32.597 ======================= Grid point 266 (101/228) ======================= q-point: (-0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 2.329 -1.265 4.649) 5.351 2.895 ( -5.520 3.061 6.652) 9.170 3.357 ( 9.191 24.196 -4.380) 26.251 3.599 ( 3.351 0.261 -1.509) 3.685 4.238 ( -14.806 -13.064 0.474) 19.751 4.450 ( -25.930 1.862 -2.401) 26.107 5.477 ( 4.526 -0.762 -2.419) 5.188 5.710 ( 1.102 1.266 -0.856) 1.884 5.816 ( 5.160 -3.178 3.680) 7.090 6.108 ( -5.450 2.192 2.034) 6.217 6.144 ( 1.900 6.848 -3.281) 7.827 6.402 ( -2.878 -7.530 1.373) 8.178 7.225 ( 0.510 0.780 3.924) 4.033 7.311 ( 8.543 4.400 -7.634) 12.273 7.435 ( 5.111 -0.527 -8.042) 9.543 7.637 ( 3.681 -5.909 1.107) 7.049 7.994 ( 2.846 0.221 3.918) 4.847 8.302 ( 1.534 -8.547 -0.809) 8.721 8.887 ( -3.816 1.228 8.382) 9.291 8.932 ( 3.670 -5.127 9.690) 11.560 10.559 ( -20.602 5.717 -3.044) 21.596 11.132 ( 6.646 -0.925 -8.947) 11.183 18.859 ( -1.747 0.408 1.017) 2.062 19.002 ( -4.672 0.640 -1.059) 4.833 19.277 ( -0.037 -0.330 1.275) 1.318 19.447 ( 1.610 -1.348 -1.196) 2.417 39.359 ( -0.881 0.145 0.073) 0.896 39.381 ( 0.190 0.045 -0.050) 0.202 62.914 ( 9.300 3.821 12.691) 16.192 64.695 ( 32.425 5.574 -12.460) 35.181 ======================= Grid point 267 (102/228) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -6.023 4.344 1.975) 7.684 2.782 ( -5.267 5.088 9.397) 11.914 3.226 ( -0.777 19.670 0.359) 19.689 3.648 ( -0.202 -3.961 -4.684) 6.137 3.892 ( -26.509 1.156 -0.434) 26.538 4.169 ( -3.798 -1.784 0.073) 4.197 5.565 ( 2.922 -0.057 -4.520) 5.383 5.662 ( -2.018 -1.276 -3.752) 4.448 5.875 ( -3.457 5.273 5.983) 8.692 6.100 ( -0.629 2.768 -1.085) 3.039 6.124 ( 7.369 -4.328 7.898) 11.637 6.468 ( 3.191 -8.059 -5.796) 10.427 7.231 ( 1.825 3.843 4.910) 6.497 7.398 ( 4.505 2.285 -5.882) 7.753 7.530 ( 5.152 2.585 -6.004) 8.323 7.751 ( 4.680 -1.886 -0.523) 5.073 8.070 ( 4.210 -2.361 1.335) 5.008 8.421 ( 1.489 -13.096 1.020) 13.220 8.775 ( -4.664 0.343 8.913) 10.065 9.095 ( 5.313 -7.202 8.340) 12.233 10.101 ( -24.151 2.477 -1.493) 24.324 11.252 ( 7.158 3.626 -11.912) 14.363 18.820 ( -1.926 0.684 0.623) 2.137 18.908 ( -4.763 0.468 -0.702) 4.837 19.280 ( 0.028 -0.574 1.660) 1.756 19.493 ( 1.759 -1.993 -1.427) 3.017 39.344 ( -0.637 -0.125 0.237) 0.691 39.394 ( 1.015 -0.514 -0.096) 1.142 63.030 ( 7.768 7.119 15.591) 18.818 65.230 ( 30.938 8.653 -15.627) 35.724 ======================= Grid point 268 (103/228) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -8.101 13.100 3.679) 15.836 2.495 ( -17.636 9.582 6.365) 21.056 3.120 ( -1.221 5.210 2.398) 5.864 3.348 ( -19.882 3.315 -5.220) 20.821 3.779 ( 1.678 -7.231 -0.925) 7.481 4.127 ( 2.309 10.171 2.762) 10.789 5.555 ( -1.447 0.474 -1.057) 1.854 5.697 ( 3.043 0.630 -2.754) 4.152 5.755 ( -4.272 2.758 3.028) 5.918 6.042 ( -3.178 1.133 -1.097) 3.548 6.293 ( 4.379 -5.341 4.047) 8.005 6.658 ( 9.167 -7.419 -6.395) 13.416 7.225 ( 2.535 7.308 5.406) 9.437 7.438 ( 1.431 4.612 -3.029) 5.701 7.578 ( 2.905 0.253 -0.261) 2.927 7.837 ( 3.513 0.428 -0.096) 3.540 8.196 ( 6.885 -3.547 -3.611) 8.545 8.562 ( 1.550 -13.560 2.425) 13.863 8.723 ( -3.272 -6.048 6.403) 9.396 9.227 ( 2.635 -6.138 7.868) 10.321 9.643 ( -23.753 -1.361 0.091) 23.792 11.330 ( 5.980 7.690 -14.078) 17.119 18.779 ( -1.658 0.952 0.288) 1.933 18.820 ( -4.143 0.437 -0.353) 4.181 19.287 ( 0.062 -0.820 2.061) 2.219 19.544 ( 1.547 -2.742 -1.676) 3.567 39.338 ( -0.340 -0.554 0.482) 0.810 39.428 ( 1.708 -1.392 -0.234) 2.216 63.081 ( 5.534 10.660 18.039) 21.672 65.692 ( 26.253 9.572 -19.380) 34.007 ======================= Grid point 269 (104/228) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -15.609 16.687 6.444) 23.741 2.170 ( -6.909 14.578 8.477) 18.224 2.925 ( -12.428 -0.700 -3.991) 13.072 3.197 ( 0.966 2.552 -3.214) 4.216 3.837 ( 2.704 8.237 -1.683) 8.831 4.093 ( 2.070 5.906 4.996) 8.008 5.545 ( 1.595 1.788 1.878) 3.044 5.678 ( -2.421 2.580 0.546) 3.580 5.723 ( -0.142 -0.877 2.627) 2.773 5.978 ( -2.678 -0.769 -2.847) 3.984 6.388 ( 1.314 -5.979 -4.853) 7.812 6.863 ( 6.062 -4.768 -5.169) 9.284 7.209 ( 3.576 10.394 5.611) 12.341 7.357 ( -3.398 7.511 4.949) 9.615 7.677 ( 5.936 -2.645 0.668) 6.533 7.861 ( -1.155 -0.598 1.695) 2.136 8.379 ( 8.585 -4.136 -5.388) 10.947 8.688 ( 1.244 -10.287 4.922) 11.471 8.763 ( -1.490 -15.292 -0.050) 15.365 9.244 ( -14.287 -5.476 -4.853) 16.051 9.320 ( -3.618 -3.888 13.605) 14.605 11.342 ( 3.354 10.979 -15.077) 18.950 18.745 ( -1.022 1.171 0.041) 1.555 18.751 ( -2.561 0.741 -0.037) 2.666 19.296 ( 0.055 -1.042 2.481) 2.691 19.593 ( 0.956 -3.487 -1.888) 4.079 39.341 ( -0.104 -1.039 0.747) 1.284 39.475 ( 1.531 -2.129 -0.439) 2.659 63.058 ( 2.810 14.014 19.618) 24.273 66.029 ( 16.790 8.060 -23.890) 30.292 ======================= Grid point 270 (105/228) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.000 17.375 10.243) 20.170 1.958 ( -0.000 19.227 10.828) 22.066 2.816 ( 0.000 -1.676 -6.329) 6.547 3.189 ( -0.000 3.548 -4.023) 5.364 3.696 ( -0.000 30.332 0.094) 30.332 4.121 ( 0.000 -5.850 2.299) 6.285 5.578 ( 0.000 -0.016 1.677) 1.678 5.594 ( -0.000 4.925 2.548) 5.545 5.741 ( 0.000 -3.896 4.549) 5.989 5.967 ( 0.000 -1.718 -4.788) 5.087 6.449 ( 0.000 -5.761 -7.949) 9.818 6.940 ( 0.000 -0.762 -4.732) 4.793 7.155 ( -0.000 13.984 6.502) 15.421 7.265 ( -0.000 3.028 6.653) 7.310 7.764 ( -0.000 6.689 -3.084) 7.365 7.856 ( 0.000 -11.656 8.290) 14.303 8.518 ( 0.000 -6.380 -2.899) 7.007 8.793 ( 0.000 -11.379 0.615) 11.396 8.893 ( 0.000 -16.319 -0.767) 16.337 9.105 ( 0.000 -6.794 -3.615) 7.696 9.340 ( 0.000 -3.732 12.218) 12.776 11.273 ( -0.000 12.943 -14.561) 19.482 18.717 ( -0.000 1.072 0.079) 1.075 18.726 ( -0.000 1.318 -0.022) 1.318 19.306 ( 0.000 -1.240 2.910) 3.163 19.634 ( 0.000 -4.022 -2.008) 4.495 39.350 ( 0.000 -1.471 0.900) 1.724 39.509 ( 0.000 -2.110 -0.537) 2.177 62.957 ( -0.000 16.719 19.861) 25.961 66.138 ( -0.000 7.261 -28.387) 29.301 ======================= Grid point 279 (106/228) ======================= q-point: (-0.64 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 3.159 -0.000 6.467) 7.197 2.921 ( -4.986 0.000 6.859) 8.480 3.506 ( 2.442 -0.000 -6.345) 6.799 3.745 ( 19.256 -0.000 -3.475) 19.567 4.034 ( -23.939 0.000 3.631) 24.213 4.469 ( -26.527 0.000 -3.450) 26.750 5.472 ( 4.735 -0.000 -3.047) 5.631 5.731 ( -5.862 0.000 -8.649) 10.448 5.775 ( 12.982 -0.000 10.443) 16.661 6.133 ( -7.056 0.000 3.133) 7.721 6.236 ( 5.756 -0.000 -5.322) 7.839 6.305 ( -7.549 0.000 3.701) 8.407 7.223 ( 0.601 -0.000 2.542) 2.612 7.391 ( 12.039 -0.000 -7.580) 14.227 7.398 ( 4.028 -0.000 -4.376) 5.948 7.579 ( 4.486 -0.000 1.831) 4.846 8.002 ( 2.052 -0.000 1.725) 2.681 8.226 ( 0.075 -0.000 -1.876) 1.877 8.864 ( 6.831 -0.000 9.781) 11.930 8.922 ( -7.032 0.000 8.962) 11.392 10.609 ( -23.376 0.000 -3.123) 23.584 11.123 ( 9.386 -0.000 -8.857) 12.905 18.863 ( -1.709 0.000 1.012) 1.986 19.007 ( -4.827 0.000 -1.095) 4.949 19.274 ( -0.071 0.000 1.226) 1.228 19.436 ( 1.614 -0.000 -1.116) 1.962 39.360 ( -0.959 0.000 0.152) 0.971 39.382 ( 0.020 -0.000 -0.188) 0.189 62.945 ( 9.787 -0.000 12.889) 16.184 64.740 ( 32.730 -0.000 -12.429) 35.010 ======================= Grid point 281 (107/228) ======================= q-point: (-0.57 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -2.818 0.799 3.801) 4.799 2.847 ( -3.378 2.404 11.809) 12.515 3.493 ( -7.099 8.683 -3.540) 11.761 3.586 ( -9.666 -0.373 1.446) 9.780 3.918 ( -30.099 1.060 -3.827) 30.360 4.106 ( 11.072 -4.405 -3.571) 12.439 5.576 ( 5.271 1.190 -5.359) 7.611 5.632 ( -3.634 -1.896 -5.580) 6.924 5.959 ( -4.840 4.384 6.996) 9.570 6.048 ( 8.971 -3.790 9.654) 13.713 6.157 ( -5.274 2.639 1.495) 6.084 6.363 ( 5.501 -4.186 -7.548) 10.235 7.253 ( 2.227 0.152 3.766) 4.378 7.434 ( 1.712 0.869 -2.948) 3.518 7.591 ( 9.764 4.035 -5.589) 11.952 7.721 ( 8.515 -1.636 -1.104) 8.741 8.050 ( 2.976 -0.255 0.155) 2.991 8.239 ( -1.262 -7.154 -0.643) 7.293 8.795 ( -5.828 1.197 9.069) 10.847 9.008 ( 6.700 -2.999 9.416) 11.939 10.132 ( -26.651 1.027 -1.107) 26.693 11.294 ( 9.193 1.353 -12.332) 15.441 18.828 ( -1.871 0.248 0.613) 1.985 18.915 ( -4.858 0.249 -0.684) 4.912 19.274 ( -0.026 -0.206 1.525) 1.539 19.470 ( 1.676 -0.727 -1.311) 2.249 39.344 ( -0.756 0.022 0.317) 0.820 39.387 ( 0.538 -0.234 -0.301) 0.660 63.108 ( 8.436 2.371 16.010) 18.252 65.322 ( 30.304 2.701 -15.280) 34.045 ======================= Grid point 282 (108/228) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -5.863 4.104 3.678) 8.046 2.644 ( -14.819 7.995 7.459) 18.416 3.233 ( -8.223 7.884 4.980) 12.433 3.372 ( -22.065 -0.218 -3.509) 22.343 3.617 ( 0.033 -9.812 -1.783) 9.973 4.273 ( 7.572 5.991 -2.991) 10.108 5.553 ( -1.953 -0.436 -2.375) 3.106 5.712 ( 5.669 0.973 -4.477) 7.289 5.802 ( -6.319 2.385 6.117) 9.113 6.061 ( -3.795 1.086 -0.111) 3.949 6.222 ( 4.499 -3.106 2.570) 6.041 6.555 ( 10.933 -4.572 -4.634) 12.725 7.290 ( 2.265 1.514 4.929) 5.631 7.474 ( 2.658 -1.150 -1.720) 3.368 7.657 ( 3.441 10.119 -0.888) 10.725 7.873 ( 7.358 2.862 -2.658) 8.331 8.137 ( 5.408 -3.656 -1.594) 6.719 8.314 ( -0.419 -14.838 0.004) 14.844 8.689 ( -4.782 0.417 7.623) 9.009 9.144 ( 4.437 -3.739 8.556) 10.338 9.628 ( -26.299 -0.610 1.275) 26.337 11.430 ( 7.540 4.269 -15.075) 17.388 18.792 ( -1.599 0.533 0.279) 1.709 18.828 ( -4.049 0.387 -0.277) 4.076 19.277 ( 0.010 -0.451 1.801) 1.857 19.508 ( 1.389 -1.507 -1.534) 2.560 39.333 ( -0.472 -0.129 0.497) 0.697 39.407 ( 0.997 -1.019 -0.420) 1.486 63.213 ( 6.141 5.345 18.623) 20.325 65.805 ( 24.091 4.349 -18.112) 30.452 ======================= Grid point 283 (109/228) ======================= q-point: (-0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -15.854 10.734 5.774) 19.997 2.388 ( -3.039 11.578 4.930) 12.945 2.910 ( -15.550 -1.219 -2.399) 15.781 3.238 ( 0.395 3.176 0.988) 3.350 3.725 ( 1.165 -12.158 1.033) 12.257 4.306 ( 3.920 11.348 -0.887) 12.039 5.551 ( 1.110 -0.795 0.684) 1.527 5.684 ( -4.050 -0.383 5.718) 7.018 5.790 ( 3.978 5.932 -2.252) 7.489 5.977 ( -3.978 1.273 -1.533) 4.449 6.299 ( 1.226 -4.579 -6.771) 8.265 6.781 ( 7.633 -4.543 -3.341) 9.490 7.311 ( 1.997 2.689 6.078) 6.939 7.526 ( 1.968 8.240 0.514) 8.487 7.603 ( 0.172 0.379 4.410) 4.430 7.930 ( 3.062 6.849 -2.462) 7.895 8.319 ( 9.742 -5.035 -2.877) 11.337 8.453 ( 0.744 -17.370 0.071) 17.386 8.613 ( -4.395 -2.759 4.838) 7.095 9.161 ( -15.241 -4.465 -3.615) 16.288 9.268 ( -3.331 -2.530 14.371) 14.967 11.494 ( 4.243 7.349 -16.639) 18.678 18.761 ( -1.356 0.776 0.027) 1.562 18.763 ( -1.949 0.641 0.056) 2.053 19.282 ( 0.021 -0.693 2.057) 2.170 19.545 ( 0.814 -2.322 -1.732) 3.009 39.329 ( -0.195 -0.422 0.678) 0.822 39.439 ( 0.945 -2.039 -0.554) 2.315 63.244 ( 3.189 8.516 20.323) 22.265 66.130 ( 14.084 4.401 -20.859) 25.550 ======================= Grid point 284 (110/228) ======================= q-point: (-0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 14.370 7.111) 16.034 2.246 ( -0.000 15.402 7.186) 16.996 2.779 ( 0.000 -2.836 -4.653) 5.449 3.226 ( -0.000 2.057 -1.723) 2.683 3.834 ( 0.000 -9.956 1.210) 10.029 4.232 ( -0.000 15.671 1.670) 15.760 5.577 ( 0.000 -0.072 1.713) 1.715 5.660 ( 0.000 -3.027 4.517) 5.438 5.748 ( -0.000 10.420 2.041) 10.618 5.938 ( 0.000 -1.682 -3.707) 4.070 6.352 ( 0.000 -5.532 -9.850) 11.297 6.888 ( 0.000 -4.213 -4.765) 6.360 7.317 ( -0.000 2.409 6.839) 7.250 7.404 ( -0.000 16.150 4.648) 16.806 7.678 ( 0.000 -9.402 5.863) 11.081 7.887 ( -0.000 8.285 -2.585) 8.679 8.486 ( -0.000 1.861 -1.247) 2.240 8.599 ( 0.000 -12.408 -0.060) 12.408 8.610 ( 0.000 -17.511 -0.082) 17.511 9.000 ( 0.000 -6.130 -1.840) 6.400 9.289 ( 0.000 -2.619 12.973) 13.235 11.463 ( -0.000 9.830 -16.677) 19.359 18.733 ( -0.000 0.856 0.136) 0.867 18.745 ( -0.000 1.042 -0.025) 1.042 19.288 ( 0.000 -0.896 2.290) 2.459 19.575 ( 0.000 -3.043 -1.859) 3.566 39.332 ( 0.000 -0.756 0.792) 1.095 39.469 ( 0.000 -2.594 -0.615) 2.666 63.191 ( -0.000 11.544 20.746) 23.741 66.232 ( -0.000 4.425 -23.156) 23.575 ======================= Grid point 295 (111/228) ======================= q-point: (-0.57 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -6.089 0.000 4.090) 7.335 2.717 ( -12.153 0.000 8.549) 14.859 3.342 ( -28.743 0.000 -3.329) 28.935 3.344 ( -4.842 0.000 9.336) 10.517 3.516 ( -1.494 0.000 -6.410) 6.581 4.320 ( 9.151 -0.000 -5.042) 10.448 5.548 ( -2.481 0.000 -2.767) 3.717 5.721 ( 7.576 -0.000 -5.702) 9.482 5.822 ( -8.167 0.000 8.097) 11.500 6.071 ( -3.562 0.000 -0.056) 3.562 6.196 ( 4.795 -0.000 1.830) 5.133 6.517 ( 11.619 -0.000 -3.831) 12.234 7.301 ( 2.492 -0.000 4.354) 5.017 7.457 ( 1.373 -0.000 -0.702) 1.542 7.788 ( 7.605 -0.000 -1.023) 7.674 7.897 ( 10.485 -0.000 -2.245) 10.722 8.099 ( 2.669 -0.000 -2.565) 3.702 8.157 ( -3.245 0.000 0.010) 3.245 8.698 ( -5.046 0.000 7.532) 9.066 9.112 ( 5.145 -0.000 8.615) 10.034 9.623 ( -27.339 0.000 1.838) 27.400 11.466 ( 8.049 -0.000 -15.371) 17.351 18.796 ( -1.581 0.000 0.277) 1.605 18.831 ( -4.046 0.000 -0.263) 4.055 19.273 ( -0.008 0.000 1.722) 1.722 19.496 ( 1.345 -0.000 -1.477) 1.997 39.332 ( -0.517 0.000 0.526) 0.738 39.398 ( 0.711 -0.000 -0.505) 0.872 63.257 ( 6.337 -0.000 18.805) 19.844 65.840 ( 23.444 -0.000 -17.714) 29.383 ======================= Grid point 297 (112/228) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -12.510 3.518 4.791) 13.850 2.533 ( -3.689 5.202 4.088) 7.576 2.886 ( -18.352 -1.233 -2.488) 18.560 3.311 ( 1.082 4.948 9.176) 10.481 3.538 ( -0.170 -8.834 -3.238) 9.411 4.419 ( 3.341 2.991 -4.113) 6.085 5.536 ( 0.974 -0.629 0.635) 1.322 5.683 ( -6.228 0.094 7.304) 9.599 5.846 ( 5.688 1.002 -4.210) 7.147 6.023 ( -1.535 2.788 -1.319) 3.445 6.244 ( 0.666 -1.898 -8.059) 8.306 6.727 ( 8.510 -1.739 -1.617) 8.835 7.336 ( 1.532 0.723 4.973) 5.254 7.500 ( 2.145 -2.265 2.620) 4.074 7.809 ( 1.521 14.320 1.892) 14.524 8.055 ( 6.856 7.817 -2.307) 10.650 8.172 ( -1.050 -15.135 0.301) 15.174 8.204 ( 6.715 -8.057 -1.810) 10.643 8.612 ( -3.719 0.890 4.590) 5.974 9.106 ( -16.265 -1.883 -2.956) 16.638 9.238 ( -3.293 -1.007 14.599) 14.999 11.577 ( 4.673 2.586 -17.336) 18.140 18.770 ( -2.277 0.242 0.057) 2.290 18.771 ( -0.953 0.276 0.056) 0.994 19.274 ( 0.003 -0.247 1.873) 1.890 19.519 ( 0.752 -0.814 -1.627) 1.968 39.325 ( -0.246 -0.077 0.675) 0.722 39.414 ( 0.580 -0.850 -0.640) 1.212 63.337 ( 3.367 2.824 20.635) 21.098 66.177 ( 12.987 1.434 -19.586) 23.544 ======================= Grid point 298 (113/228) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -0.000 9.170 4.876) 10.386 2.449 ( -0.000 8.726 4.808) 9.963 2.727 ( 0.000 -3.061 -3.133) 4.380 3.280 ( -0.000 4.814 4.078) 6.309 3.631 ( 0.000 -12.505 1.163) 12.559 4.413 ( -0.000 6.119 -2.695) 6.686 5.576 ( 0.000 -0.055 1.711) 1.712 5.610 ( 0.000 -2.353 6.616) 7.022 5.915 ( 0.000 -1.038 -3.040) 3.212 5.936 ( -0.000 10.233 -1.132) 10.295 6.274 ( 0.000 -3.834 -11.290) 11.923 6.827 ( 0.000 -2.769 -3.028) 4.104 7.344 ( -0.000 1.100 5.444) 5.554 7.557 ( 0.000 -5.155 4.872) 7.093 7.680 ( -0.000 17.195 3.150) 17.482 8.035 ( -0.000 9.548 -1.983) 9.751 8.311 ( 0.000 -18.052 0.664) 18.065 8.403 ( 0.000 -11.699 -0.721) 11.721 8.543 ( -0.000 3.861 1.453) 4.125 8.908 ( 0.000 -4.606 -0.839) 4.682 9.253 ( 0.000 -1.645 12.934) 13.038 11.589 ( -0.000 5.304 -17.801) 18.575 18.745 ( -0.000 0.474 0.174) 0.505 18.759 ( -0.000 0.572 -0.025) 0.573 19.277 ( 0.000 -0.492 1.987) 2.047 19.536 ( 0.000 -1.634 -1.718) 2.371 39.324 ( 0.000 -0.241 0.734) 0.773 39.431 ( 0.000 -1.783 -0.675) 1.906 63.334 ( -0.000 5.763 21.198) 21.968 66.287 ( -0.000 2.230 -20.753) 20.873 ======================= Grid point 312 (114/228) ======================= q-point: ( 0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.000 0.000 3.943) 3.943 2.522 ( -0.000 0.000 3.834) 3.834 2.697 ( -0.000 0.000 -2.415) 2.415 3.355 ( -0.000 0.000 14.427) 14.427 3.489 ( -0.000 0.000 -7.187) 7.187 4.458 ( -0.000 0.000 -4.163) 4.163 5.575 ( -0.000 0.000 1.703) 1.703 5.590 ( -0.000 0.000 7.248) 7.248 5.906 ( -0.000 0.000 -2.814) 2.814 6.032 ( -0.000 0.000 -1.867) 1.867 6.237 ( -0.000 0.000 -12.525) 12.525 6.804 ( -0.000 0.000 -2.181) 2.181 7.354 ( -0.000 0.000 5.015) 5.015 7.514 ( -0.000 0.000 5.012) 5.012 7.911 ( -0.000 0.000 2.434) 2.434 8.068 ( 0.000 -0.000 0.737) 0.737 8.182 ( -0.000 0.000 -0.475) 0.475 8.243 ( 0.000 -0.000 -1.855) 1.855 8.580 ( -0.000 0.000 2.685) 2.685 8.866 ( -0.000 0.000 -0.733) 0.733 9.239 ( 0.000 -0.000 12.725) 12.725 11.633 ( -0.000 0.000 -18.150) 18.150 18.749 ( -0.000 0.000 0.187) 0.187 18.764 ( -0.000 0.000 -0.025) 0.025 19.273 ( -0.000 0.000 1.895) 1.895 19.523 ( -0.000 0.000 -1.662) 1.662 39.322 ( -0.000 0.000 0.738) 0.738 39.415 ( -0.000 0.000 -0.717) 0.717 63.381 ( -0.000 0.000 21.335) 21.335 66.305 ( -0.000 0.000 -20.059) 20.059 ======================= Grid point 406 (115/228) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 0.000 29.554) 29.554 1.413 ( 0.000 0.000 30.640) 30.640 2.171 ( 0.000 0.000 39.477) 39.477 2.467 ( 0.000 0.000 -10.339) 10.339 2.519 ( 0.000 0.000 -19.338) 19.338 3.909 ( 0.000 0.000 -29.341) 29.341 4.954 ( 0.000 0.000 3.202) 3.202 5.239 ( 0.000 0.000 -11.259) 11.259 5.616 ( 0.000 0.000 2.858) 2.858 5.825 ( 0.000 0.000 -7.229) 7.229 6.653 ( 0.000 0.000 10.479) 10.479 6.923 ( 0.000 0.000 -4.210) 4.210 6.965 ( 0.000 0.000 13.001) 13.001 7.326 ( 0.000 0.000 11.395) 11.395 7.423 ( 0.000 0.000 -7.592) 7.592 7.836 ( 0.000 0.000 -8.724) 8.724 9.221 ( 0.000 0.000 6.804) 6.804 9.287 ( 0.000 0.000 3.283) 3.283 9.443 ( 0.000 0.000 -3.298) 3.298 9.608 ( 0.000 0.000 -8.961) 8.961 10.613 ( 0.000 0.000 8.194) 8.194 10.929 ( 0.000 0.000 -5.423) 5.423 18.663 ( 0.000 0.000 0.002) 0.002 18.666 ( 0.000 0.000 -0.115) 0.115 19.719 ( 0.000 0.000 1.070) 1.070 19.770 ( 0.000 0.000 -1.071) 1.071 39.466 ( 0.000 0.000 0.572) 0.572 39.495 ( 0.000 0.000 -0.670) 0.670 62.692 ( 0.000 0.000 2.299) 2.299 62.793 ( 0.000 0.000 -1.952) 1.952 ======================= Grid point 407 (116/228) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -3.860 -4.598 32.132) 32.688 1.469 ( 5.449 -11.206 25.691) 28.553 2.423 ( 9.090 -3.382 -6.657) 11.764 2.576 ( 19.895 -5.025 27.999) 34.714 2.589 ( 6.264 -1.121 -21.514) 22.435 3.963 ( 6.207 -0.317 -24.471) 25.248 5.026 ( 0.498 -14.318 2.030) 14.470 5.268 ( 0.326 -6.269 -9.635) 11.499 5.670 ( 4.418 -0.136 -0.618) 4.463 5.810 ( -1.829 -0.233 -6.349) 6.611 6.631 ( -2.427 -0.178 9.708) 10.008 6.809 ( -7.606 -0.276 2.569) 8.033 7.043 ( 4.521 1.037 6.264) 7.795 7.281 ( -4.219 -1.139 6.545) 7.869 7.476 ( 3.582 0.413 -5.581) 6.644 7.808 ( -3.905 -2.764 -8.935) 10.135 9.132 ( -5.984 3.482 5.753) 9.002 9.332 ( 2.828 2.000 5.457) 6.463 9.414 ( -1.415 3.312 -5.013) 6.172 9.644 ( 4.075 2.442 -7.682) 9.033 10.622 ( 3.060 5.081 5.943) 8.397 10.792 ( -5.848 12.664 -0.168) 13.950 18.682 ( 1.870 -0.264 0.368) 1.924 18.726 ( 5.624 0.217 -2.336) 6.094 19.664 ( -2.658 5.196 2.863) 6.501 19.752 ( -2.164 0.059 -1.642) 2.717 39.465 ( -0.305 -0.370 0.483) 0.680 39.488 ( -0.566 0.411 -0.491) 0.855 62.516 ( -6.050 5.187 12.114) 14.500 62.976 ( -9.393 -41.793 -11.889) 44.455 ======================= Grid point 408 (117/228) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 7.134 -12.037 21.602) 25.738 1.704 ( 7.355 -14.596 17.402) 23.874 2.513 ( 1.892 -4.419 -12.994) 13.855 2.730 ( 6.741 -3.216 -26.632) 27.660 3.190 ( 33.920 -5.727 29.605) 45.385 4.160 ( 14.249 -0.404 -12.900) 19.225 5.171 ( 0.226 -17.471 1.855) 17.570 5.355 ( 2.197 -9.210 -7.515) 12.088 5.731 ( 0.695 1.006 -3.382) 3.596 5.772 ( -1.274 -1.155 -4.571) 4.883 6.570 ( -4.355 -0.875 7.399) 8.630 6.661 ( -9.518 -1.832 2.299) 9.961 7.099 ( 2.236 2.866 4.565) 5.836 7.220 ( -3.234 -4.267 5.592) 7.741 7.487 ( -0.513 5.148 -5.816) 7.784 7.755 ( -5.552 -6.857 -9.492) 12.960 8.947 ( -8.375 9.256 6.173) 13.926 9.306 ( -2.056 6.871 -2.370) 7.553 9.344 ( -2.648 5.225 2.345) 6.310 9.678 ( 0.877 2.514 -5.764) 6.349 10.555 ( 1.951 17.700 7.680) 19.393 10.733 ( 6.087 1.345 -1.160) 6.341 18.732 ( 2.982 -0.331 1.152) 3.214 18.835 ( 6.118 1.283 -4.396) 7.642 19.564 ( -3.016 5.111 4.278) 7.315 19.692 ( -3.482 1.207 -2.131) 4.257 39.456 ( -0.595 0.603 0.434) 0.951 39.468 ( -1.032 0.732 -0.117) 1.271 62.430 ( -5.648 -9.689 15.451) 19.092 63.084 ( -15.181 -41.205 -15.489) 46.564 ======================= Grid point 409 (118/228) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 5.774 -14.214 10.397) 18.533 1.974 ( 9.068 -14.412 6.552) 18.245 2.596 ( 3.791 -3.596 -6.488) 8.331 2.902 ( 8.418 -4.922 -24.219) 26.108 3.855 ( 31.762 -4.801 20.831) 38.286 4.455 ( 15.736 0.256 -2.542) 15.942 5.307 ( 0.855 -13.102 2.688) 13.402 5.496 ( 4.085 -9.958 -5.771) 12.212 5.686 ( -2.887 0.183 -2.337) 3.719 5.796 ( 2.018 0.049 -4.147) 4.612 6.454 ( -10.601 0.655 3.768) 11.270 6.512 ( -6.602 -4.278 0.533) 7.885 7.062 ( -3.108 0.603 4.218) 5.273 7.256 ( 1.129 -4.641 1.907) 5.143 7.401 ( -2.392 5.220 -3.349) 6.647 7.712 ( -5.815 -7.983 -8.513) 13.039 8.680 ( -9.400 13.649 6.739) 17.891 9.145 ( -7.246 11.230 -10.388) 16.927 9.234 ( -4.154 3.838 11.021) 12.387 9.633 ( -3.016 2.339 -4.105) 5.605 10.522 ( 7.018 12.420 9.304) 17.032 10.875 ( 9.744 2.578 -5.615) 11.538 18.793 ( 3.258 -0.267 1.870) 3.766 18.925 ( 4.934 1.878 -4.483) 6.926 19.475 ( -2.597 3.711 4.113) 6.118 19.611 ( -3.766 1.501 -2.361) 4.691 39.434 ( -0.708 1.798 0.372) 1.968 39.442 ( -0.995 0.795 0.155) 1.283 62.443 ( -4.416 -15.053 14.637) 21.455 63.110 ( -15.289 -35.232 -14.918) 41.202 ======================= Grid point 410 (119/228) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.085 -11.460 6.301) 13.079 2.236 ( 4.509 -14.108 -6.185) 16.051 2.737 ( 9.354 -1.776 2.169) 9.765 3.111 ( 9.179 -4.213 -16.923) 19.707 4.419 ( 24.142 -3.508 11.926) 27.154 4.704 ( 11.089 -0.122 3.446) 11.613 5.412 ( 0.841 -7.444 3.297) 8.185 5.620 ( -2.825 -3.037 -5.736) 7.078 5.670 ( 5.639 -2.601 0.347) 6.220 5.858 ( 5.173 -0.546 -2.579) 5.806 6.223 ( -11.380 2.445 2.502) 11.905 6.448 ( -5.040 -5.669 -5.603) 9.430 7.010 ( -3.169 -3.121 4.655) 6.438 7.250 ( -1.956 3.001 -7.060) 7.917 7.393 ( 1.863 -2.877 3.550) 4.935 7.668 ( -5.857 -7.913 -6.636) 11.873 8.407 ( -7.536 12.216 7.890) 16.379 8.889 ( -10.325 9.049 -6.723) 15.287 9.137 ( -3.258 2.615 9.314) 10.209 9.541 ( -4.151 3.262 -3.019) 6.081 10.567 ( 6.521 9.213 9.703) 14.885 11.024 ( 8.636 4.320 -8.854) 13.101 18.854 ( 2.970 -0.206 2.361) 3.800 18.990 ( 3.753 1.845 -3.806) 5.654 19.406 ( -2.112 2.365 3.335) 4.601 19.533 ( -3.317 1.258 -2.414) 4.291 39.406 ( -0.610 1.775 0.464) 1.934 39.419 ( -0.573 1.183 0.032) 1.315 62.497 ( -3.284 -14.752 12.900) 19.870 63.107 ( -12.589 -27.778 -13.364) 33.297 ======================= Grid point 411 (120/228) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.796 -7.958 5.628) 9.780 2.361 ( -1.071 -10.480 -11.663) 15.716 2.945 ( 10.387 -0.851 5.760) 11.908 3.284 ( 6.027 -1.855 -10.297) 12.074 4.753 ( 8.627 -2.352 7.674) 11.784 4.935 ( 14.033 -2.167 0.154) 14.200 5.447 ( -1.178 -2.442 3.368) 4.324 5.535 ( -5.643 2.072 -0.738) 6.056 5.782 ( 2.285 -0.807 -0.150) 2.428 6.005 ( 6.882 -1.201 -4.613) 8.372 6.042 ( -3.210 1.011 4.726) 5.802 6.430 ( -1.189 -5.459 -10.363) 11.773 7.001 ( -1.635 -5.328 4.226) 6.994 7.188 ( -1.430 3.995 -6.065) 7.402 7.448 ( 2.025 -0.632 1.398) 2.541 7.628 ( -5.183 -7.653 -5.343) 10.676 8.222 ( -4.067 6.116 9.096) 11.691 8.633 ( -10.428 5.313 -4.445) 12.519 9.079 ( -1.412 0.117 9.875) 9.976 9.433 ( -3.968 4.401 -0.796) 5.979 10.601 ( 4.020 6.560 8.946) 11.800 11.114 ( 5.269 5.313 -11.330) 13.578 18.905 ( 2.302 -0.174 2.683) 3.540 19.036 ( 2.626 1.433 -3.012) 4.245 19.357 ( -1.565 1.312 2.521) 3.244 19.470 ( -2.432 0.832 -2.439) 3.544 39.384 ( -0.271 1.334 0.501) 1.450 39.402 ( -0.255 1.079 -0.154) 1.120 62.554 ( -2.191 -11.297 11.332) 16.150 63.101 ( -8.736 -19.321 -11.932) 24.330 ======================= Grid point 412 (121/228) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -0.058 -4.289 6.142) 7.492 2.397 ( -1.548 -5.419 -11.565) 12.865 3.104 ( 5.916 -0.206 4.581) 7.485 3.359 ( 1.501 0.001 -6.742) 6.907 4.875 ( 3.712 -2.233 7.305) 8.493 5.188 ( 9.496 -2.383 -6.382) 11.686 5.404 ( -5.325 2.356 3.069) 6.582 5.429 ( -1.207 0.280 2.846) 3.104 5.772 ( -1.228 1.608 0.937) 2.230 5.964 ( -2.621 -0.124 -6.216) 6.747 6.190 ( 6.780 -1.764 3.391) 7.783 6.493 ( 3.093 -3.326 -9.813) 10.813 7.026 ( -0.675 -5.355 2.458) 5.931 7.125 ( -1.363 4.923 -3.348) 6.108 7.482 ( 2.253 1.877 0.255) 2.944 7.604 ( -3.283 -5.949 -5.496) 8.739 8.145 ( -1.227 1.624 9.095) 9.320 8.426 ( -7.840 2.322 -2.917) 8.681 9.092 ( 1.403 -3.280 10.291) 10.892 9.321 ( -3.689 5.315 3.449) 7.332 10.614 ( 1.891 3.179 7.028) 7.942 11.140 ( 1.993 4.051 -13.072) 13.830 18.940 ( 1.290 -0.117 2.896) 3.172 19.064 ( 1.375 0.794 -2.363) 2.847 19.327 ( -0.849 0.551 1.906) 2.158 19.430 ( -1.297 0.401 -2.506) 2.850 39.373 ( -0.046 0.696 0.475) 0.844 39.392 ( -0.074 0.617 -0.268) 0.677 62.596 ( -1.095 -6.063 10.308) 12.009 63.099 ( -4.440 -9.945 -10.993) 15.475 ======================= Grid point 413 (122/228) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 -0.000 6.495) 6.495 2.404 ( 0.000 0.000 -11.037) 11.037 3.162 ( 0.000 -0.000 3.717) 3.717 3.366 ( 0.000 0.000 -6.062) 6.062 4.925 ( 0.000 0.000 7.450) 7.450 5.286 ( 0.000 0.000 -7.197) 7.197 5.344 ( 0.000 0.000 2.912) 2.912 5.414 ( 0.000 -0.000 2.404) 2.404 5.751 ( 0.000 -0.000 1.147) 1.147 5.933 ( 0.000 -0.000 -7.879) 7.879 6.264 ( 0.000 -0.000 3.779) 3.779 6.546 ( 0.000 -0.000 -8.989) 8.989 7.058 ( 0.000 -0.000 0.468) 0.468 7.071 ( -0.000 0.000 -0.718) 0.718 7.496 ( 0.000 -0.000 0.643) 0.643 7.601 ( 0.000 0.000 -6.552) 6.552 8.132 ( 0.000 0.000 8.941) 8.941 8.334 ( 0.000 -0.000 -2.313) 2.313 9.150 ( -0.000 0.000 8.668) 8.668 9.235 ( 0.000 -0.000 7.411) 7.411 10.620 ( 0.000 -0.000 5.895) 5.895 11.138 ( 0.000 -0.000 -13.733) 13.733 18.953 ( 0.000 0.000 2.979) 2.979 19.074 ( 0.000 -0.000 -2.100) 2.100 19.316 ( 0.000 0.000 1.666) 1.666 19.416 ( 0.000 0.000 -2.551) 2.551 39.370 ( 0.000 -0.000 0.455) 0.455 39.388 ( 0.000 0.000 -0.303) 0.303 62.611 ( 0.000 -0.000 9.956) 9.956 63.099 ( 0.000 0.000 -10.671) 10.671 ======================= Grid point 422 (123/228) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 7.562 -0.000 22.212) 23.464 1.571 ( 9.255 -0.000 19.846) 21.898 2.482 ( 3.386 -0.000 -13.201) 13.628 2.698 ( 5.831 -0.000 -26.965) 27.588 3.145 ( 35.558 -0.000 30.537) 46.871 4.157 ( 14.457 -0.000 -13.736) 19.942 5.002 ( 2.966 -0.000 3.811) 4.829 5.272 ( 2.839 -0.000 -9.684) 10.092 5.745 ( 3.288 -0.000 -3.782) 5.011 5.757 ( -3.660 0.000 -3.837) 5.303 6.564 ( -4.555 0.000 7.428) 8.714 6.645 ( -9.442 0.000 2.931) 9.886 7.127 ( 3.933 -0.000 3.927) 5.558 7.180 ( -6.059 0.000 5.194) 7.981 7.541 ( 2.236 -0.000 -7.308) 7.642 7.687 ( -7.348 0.000 -7.668) 10.620 9.021 ( -7.753 0.000 6.854) 10.348 9.360 ( -1.270 0.000 7.406) 7.514 9.394 ( -2.752 0.000 -7.788) 8.259 9.697 ( -0.035 0.000 -6.531) 6.531 10.726 ( -4.432 0.000 3.924) 5.919 10.740 ( 7.709 -0.000 2.280) 8.039 18.729 ( 3.075 -0.000 1.245) 3.317 18.847 ( 6.388 -0.000 -5.265) 8.278 19.617 ( -4.166 0.000 2.879) 5.064 19.697 ( -3.559 0.000 -1.239) 3.768 39.458 ( -0.339 0.000 0.378) 0.508 39.478 ( -0.777 0.000 -0.456) 0.901 62.386 ( -9.167 0.000 10.712) 14.099 62.667 ( -5.386 0.000 -3.673) 6.519 ======================= Grid point 423 (124/228) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 12.282 -2.528 6.621) 14.180 1.772 ( 8.431 -8.297 8.206) 14.396 2.575 ( 6.837 0.384 -5.768) 8.953 2.832 ( 7.989 -3.073 -24.422) 25.878 3.803 ( 33.056 -1.511 22.126) 39.806 4.455 ( 15.607 -0.110 -3.281) 15.948 5.116 ( 5.287 -7.535 3.744) 9.938 5.368 ( 5.368 -4.445 -8.687) 11.137 5.687 ( -3.077 -0.008 -0.942) 3.218 5.798 ( 2.766 0.143 -4.900) 5.628 6.458 ( -10.454 -0.083 2.399) 10.726 6.469 ( -6.118 -1.018 3.226) 6.991 7.056 ( -6.899 -0.631 5.355) 8.756 7.200 ( 2.947 -1.684 1.894) 3.887 7.497 ( -4.752 5.703 -6.238) 9.696 7.596 ( -4.172 -5.999 -7.904) 10.764 8.836 ( -9.949 4.836 7.690) 13.473 9.280 ( -8.151 4.487 -9.730) 13.463 9.287 ( -4.891 2.145 9.121) 10.570 9.652 ( -3.736 0.263 -4.895) 6.163 10.682 ( 2.568 5.694 7.546) 9.796 10.910 ( 10.493 1.291 -2.224) 10.804 18.791 ( 3.388 -0.067 2.104) 3.988 18.950 ( 4.944 0.874 -5.736) 7.623 19.530 ( -3.772 2.321 3.213) 5.472 19.623 ( -4.223 0.047 -1.479) 4.475 39.450 ( -0.442 0.344 0.216) 0.601 39.459 ( -0.861 0.838 -0.182) 1.215 62.277 ( -3.952 -4.564 10.766) 12.343 62.647 ( -6.144 -17.194 -6.218) 19.289 ======================= Grid point 424 (125/228) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.985 -0.443 1.312) 7.121 2.010 ( 6.393 -12.618 -5.878) 15.318 2.737 ( 11.510 1.617 1.992) 11.793 3.044 ( 10.695 -4.044 -16.189) 19.820 4.366 ( 24.774 -2.560 12.859) 28.030 4.687 ( 8.332 -1.429 3.385) 9.106 5.291 ( 6.260 -6.377 3.938) 9.765 5.530 ( 6.391 -5.320 -7.466) 11.175 5.666 ( 1.485 0.181 1.319) 1.994 5.861 ( 4.794 0.722 -4.183) 6.403 6.249 ( -10.906 0.689 1.762) 11.069 6.377 ( -5.194 -2.627 -2.021) 6.161 6.947 ( -6.293 -3.689 5.915) 9.391 7.244 ( -1.526 -2.720 -4.551) 5.517 7.388 ( -1.263 1.479 -1.203) 2.287 7.564 ( -3.947 -3.838 -6.445) 8.476 8.585 ( -10.517 8.174 7.340) 15.208 9.025 ( -12.928 6.855 -6.914) 16.184 9.175 ( -5.008 1.772 8.363) 9.907 9.575 ( -3.927 1.016 -4.584) 6.122 10.705 ( 4.424 6.639 9.725) 12.579 11.085 ( 9.373 2.788 -5.982) 11.463 18.852 ( 3.083 -0.035 2.674) 4.081 19.019 ( 3.605 1.435 -5.021) 6.345 19.447 ( -3.028 2.310 2.946) 4.815 19.544 ( -3.967 0.155 -1.735) 4.332 39.434 ( -0.747 1.437 0.128) 1.624 39.436 ( -0.461 0.855 0.048) 0.973 62.296 ( -0.532 -8.817 9.639) 13.074 62.700 ( -4.581 -19.625 -7.930) 21.657 ======================= Grid point 425 (126/228) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 5.634 0.832 1.029) 5.787 2.188 ( 2.879 -10.041 -11.596) 15.606 2.953 ( 11.937 1.774 5.714) 13.352 3.255 ( 8.296 -1.955 -9.371) 12.667 4.713 ( 8.431 -2.041 7.095) 11.206 4.859 ( 10.111 -6.273 1.347) 11.975 5.413 ( 2.764 -1.529 4.272) 5.313 5.594 ( -0.407 4.009 -2.595) 4.793 5.754 ( 4.404 -2.340 0.080) 4.988 5.984 ( 8.609 -0.677 -1.523) 8.769 6.072 ( -6.167 1.862 1.608) 6.640 6.342 ( -0.992 -4.694 -7.515) 8.916 6.896 ( -3.614 -6.744 6.060) 9.761 7.204 ( -3.555 -3.096 -8.135) 9.402 7.422 ( 2.965 -1.384 0.471) 3.306 7.517 ( -4.256 -3.968 -3.938) 7.026 8.342 ( -8.018 7.210 7.013) 12.863 8.724 ( -13.302 5.433 -5.035) 15.225 9.084 ( -3.635 0.247 9.505) 10.179 9.488 ( -3.851 2.370 -3.715) 5.852 10.718 ( 2.740 6.851 10.440) 12.784 11.196 ( 5.475 4.318 -9.001) 11.386 18.904 ( 2.412 0.006 2.981) 3.835 19.063 ( 2.477 1.629 -4.042) 5.013 19.381 ( -2.291 1.553 2.424) 3.679 19.477 ( -3.103 0.007 -1.963) 3.672 39.409 ( -0.502 1.548 0.314) 1.657 39.420 ( -0.398 1.072 -0.115) 1.149 62.383 ( 1.693 -8.883 8.903) 12.690 62.796 ( -1.175 -16.641 -8.701) 18.815 ======================= Grid point 426 (127/228) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 6.730 3.529 2.586) 8.027 2.301 ( 2.675 -5.821 -11.341) 13.025 3.119 ( 7.130 2.039 4.968) 8.926 3.364 ( 2.652 0.298 -5.591) 6.196 4.824 ( 3.514 -3.433 7.172) 8.693 5.099 ( 7.518 -7.255 -5.704) 11.904 5.407 ( -3.931 0.633 2.889) 4.919 5.532 ( 1.522 8.254 2.360) 8.719 5.791 ( -0.982 -0.010 -0.998) 1.400 5.983 ( -2.193 2.464 -1.637) 3.682 6.159 ( 7.569 -1.706 1.588) 7.920 6.420 ( 3.788 -5.212 -8.409) 10.593 6.917 ( -0.960 -7.539 4.862) 9.022 7.174 ( -1.814 -0.634 -7.353) 7.600 7.465 ( -2.344 -4.205 -0.564) 4.847 7.508 ( 1.786 -2.825 -2.625) 4.250 8.189 ( -3.594 3.276 6.952) 8.484 8.462 ( -10.849 2.194 -2.993) 11.467 9.047 ( -0.980 -2.260 10.555) 10.839 9.394 ( -3.719 3.429 -0.746) 5.114 10.696 ( 0.891 6.084 9.078) 10.965 11.216 ( 0.890 4.837 -11.365) 12.384 18.940 ( 1.436 0.060 3.107) 3.423 19.085 ( 1.238 1.534 -3.084) 3.661 19.337 ( -1.425 0.687 1.917) 2.485 19.431 ( -1.932 -0.285 -2.203) 2.944 39.390 ( -0.305 1.263 0.375) 1.352 39.405 ( -0.340 0.923 -0.227) 1.009 62.494 ( 3.383 -5.974 8.938) 11.271 62.926 ( 3.063 -10.492 -9.366) 14.394 ======================= Grid point 427 (128/228) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 7.521 7.788 4.396) 11.685 2.391 ( 4.007 -1.209 -9.814) 10.669 3.179 ( 0.955 2.011 3.663) 4.286 3.374 ( -0.069 0.769 -5.305) 5.361 4.902 ( 1.225 -2.482 7.130) 7.648 5.230 ( 0.217 -5.537 -6.354) 8.431 5.327 ( -1.900 0.045 3.414) 3.907 5.506 ( 1.642 7.438 -0.571) 7.639 5.765 ( -0.022 1.686 1.351) 2.161 5.945 ( 0.060 1.126 -3.827) 3.989 6.258 ( 1.446 -0.554 2.354) 2.818 6.513 ( 1.204 -3.747 -8.999) 9.822 6.968 ( 0.190 -6.269 2.828) 6.880 7.138 ( -0.766 2.894 -4.474) 5.384 7.447 ( -3.334 -4.879 0.411) 5.923 7.582 ( 3.444 -1.865 -4.589) 6.033 8.140 ( -0.820 0.765 7.551) 7.633 8.316 ( -3.463 -2.062 -2.026) 4.511 9.087 ( 1.843 -5.048 10.277) 11.597 9.291 ( -3.757 4.237 4.263) 7.088 10.658 ( -0.375 4.338 6.371) 7.717 11.164 ( -2.526 2.884 -12.885) 13.443 18.955 ( 0.187 0.162 3.055) 3.065 19.083 ( -0.186 1.096 -2.366) 2.614 19.316 ( -0.455 0.014 1.627) 1.690 19.411 ( -0.610 -0.624 -2.390) 2.544 39.377 ( -0.242 0.763 0.387) 0.889 39.393 ( -0.306 0.503 -0.272) 0.648 62.601 ( 4.727 -1.172 9.783) 10.928 63.078 ( 7.487 -2.328 -10.414) 13.036 ======================= Grid point 428 (129/228) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 7.342 12.599 5.577) 15.612 2.470 ( 5.177 3.376 -9.064) 10.971 3.123 ( -4.785 2.010 4.144) 6.642 3.368 ( -0.079 1.085 -6.867) 6.952 4.886 ( -4.194 -0.970 6.458) 7.761 5.165 ( -10.898 -3.875 -4.008) 12.241 5.378 ( 5.937 -0.095 2.285) 6.362 5.486 ( 2.692 4.931 -0.275) 5.625 5.772 ( 2.395 2.363 2.917) 4.453 5.962 ( 1.125 -1.126 -4.269) 4.556 6.214 ( -5.611 1.273 2.241) 6.174 6.521 ( -1.270 -0.048 -11.279) 11.351 7.023 ( 0.291 -5.405 0.833) 5.476 7.111 ( 0.978 3.440 -2.086) 4.140 7.423 ( -3.163 -4.514 1.544) 5.724 7.652 ( 3.092 -0.131 -5.981) 6.735 8.131 ( 0.420 -0.567 8.827) 8.855 8.374 ( 5.582 -4.359 -2.648) 7.561 9.142 ( -1.348 1.237 9.021) 9.204 9.234 ( 1.500 -3.692 7.390) 8.396 10.606 ( -2.476 2.226 4.914) 5.936 11.094 ( -4.049 -1.362 -13.411) 14.075 18.944 ( -1.111 0.300 2.814) 3.040 19.061 ( -1.572 0.361 -2.115) 2.660 19.318 ( 0.389 -0.484 1.765) 1.871 19.418 ( 0.674 -0.989 -2.472) 2.747 39.369 ( -0.192 0.151 0.420) 0.486 39.386 ( -0.211 -0.062 -0.252) 0.334 62.685 ( 5.770 4.612 11.385) 13.571 63.240 ( 11.765 6.916 -12.067) 18.217 ======================= Grid point 429 (130/228) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 7.681 16.437 6.260) 19.193 2.514 ( 3.973 7.829 -8.726) 12.379 2.978 ( -8.363 3.021 5.680) 10.551 3.326 ( -2.969 3.430 -10.385) 11.333 4.773 ( -9.257 -0.448 6.289) 11.200 4.923 ( -16.726 -3.162 0.032) 17.023 5.480 ( 3.877 1.312 1.499) 4.359 5.545 ( 7.075 2.901 0.979) 7.709 5.795 ( 0.504 1.598 1.067) 1.986 6.001 ( 2.245 -1.713 -4.535) 5.342 6.055 ( -7.766 2.093 4.448) 9.191 6.507 ( 2.074 3.525 -12.283) 12.946 7.049 ( -0.524 -0.958 1.230) 1.645 7.130 ( 2.097 -0.768 -3.439) 4.101 7.417 ( -1.167 -4.218 2.655) 5.119 7.708 ( 3.824 1.446 -6.020) 7.277 8.164 ( 1.938 -1.418 9.685) 9.979 8.549 ( 8.162 -5.208 -4.317) 10.601 9.089 ( -1.028 1.462 10.896) 11.042 9.343 ( 3.845 -6.393 3.153) 8.099 10.528 ( -5.504 -1.605 6.034) 8.324 11.033 ( -5.252 -4.215 -13.043) 14.679 18.910 ( -2.151 0.410 2.452) 3.287 19.020 ( -2.789 -0.436 -2.267) 3.620 19.338 ( 0.997 -1.043 2.314) 2.727 19.451 ( 1.741 -1.429 -2.540) 3.395 39.369 ( 0.029 -0.546 0.489) 0.734 39.387 ( 0.081 -0.622 -0.159) 0.647 62.738 ( 6.520 10.548 13.644) 18.437 63.401 ( 15.777 16.424 -14.471) 26.983 ======================= Grid point 430 (131/228) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 6.984 19.960 7.599) 22.471 2.451 ( -3.650 11.489 -3.559) 12.570 2.792 ( -6.530 4.628 2.514) 8.390 3.196 ( -6.297 6.587 -16.876) 19.179 4.467 ( -22.804 1.804 9.769) 24.874 4.676 ( -13.154 -3.680 3.720) 14.157 5.515 ( 2.504 4.418 2.219) 5.542 5.627 ( 1.858 0.284 -0.470) 1.937 5.748 ( -1.387 4.791 -2.824) 5.732 5.880 ( -5.787 2.152 -3.217) 6.962 6.178 ( 11.792 -2.787 4.472) 12.916 6.542 ( 5.058 4.991 -8.551) 11.118 7.038 ( -0.493 0.317 2.650) 2.714 7.188 ( 2.430 -2.963 -6.257) 7.337 7.433 ( 0.222 0.138 4.689) 4.697 7.772 ( 4.994 3.273 -6.401) 8.753 8.239 ( 3.430 -6.747 9.210) 11.921 8.749 ( 7.361 -7.645 -7.240) 12.847 9.097 ( 1.540 -2.021 11.351) 11.632 9.466 ( 3.799 -5.772 -0.496) 6.928 10.429 ( -8.758 -6.710 8.258) 13.781 10.954 ( -6.948 -3.779 -12.080) 14.439 18.860 ( -2.808 0.477 2.034) 3.500 18.965 ( -3.822 -1.112 -2.600) 4.754 19.372 ( 1.379 -1.830 3.148) 3.894 19.505 ( 2.537 -1.988 -2.696) 4.202 39.380 ( 0.388 -1.262 0.587) 1.445 39.401 ( 0.681 -0.959 -0.019) 1.177 62.754 ( 6.929 15.825 16.402) 23.821 63.556 ( 19.457 25.643 -17.849) 36.807 ======================= Grid point 431 (132/228) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -2.214 22.152 11.271) 24.953 2.211 ( -7.163 14.046 6.983) 17.244 2.687 ( -0.696 6.579 -6.261) 9.109 3.001 ( -7.714 7.763 -23.273) 25.718 3.951 ( -28.175 6.325 17.804) 33.924 4.438 ( -15.186 -2.158 -0.853) 15.362 5.491 ( 1.193 8.894 2.521) 9.321 5.617 ( -1.665 1.543 0.674) 2.368 5.711 ( 1.702 4.535 -5.796) 7.553 5.804 ( -1.046 1.826 -5.089) 5.507 6.437 ( 12.496 -1.271 5.289) 13.628 6.599 ( 5.755 5.428 -2.471) 8.288 7.034 ( -0.722 -2.185 3.289) 4.015 7.273 ( 3.998 -2.999 -7.703) 9.182 7.402 ( -0.839 5.286 7.976) 9.605 7.835 ( 5.500 5.609 -7.855) 11.109 8.428 ( 7.119 -15.140 6.913) 18.102 8.946 ( 5.096 -11.817 -11.047) 16.960 9.168 ( 2.950 -4.171 12.435) 13.444 9.569 ( 1.893 -5.435 -2.614) 6.321 10.315 ( -11.268 -11.730 10.453) 19.334 10.839 ( -7.420 -1.484 -10.674) 13.085 18.800 ( -3.047 0.559 1.543) 3.461 18.896 ( -4.720 -1.473 -2.880) 5.722 19.419 ( 1.604 -2.963 4.160) 5.353 19.576 ( 2.962 -2.610 -2.904) 4.901 39.403 ( 0.649 -1.815 0.769) 2.076 39.428 ( 1.447 -0.825 0.014) 1.665 62.737 ( 6.853 19.527 19.320) 28.312 63.701 ( 22.455 34.469 -22.643) 46.958 ======================= Grid point 432 (133/228) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -9.361 17.835 18.940) 27.649 1.995 ( -3.252 19.253 14.085) 24.075 2.628 ( 0.741 8.808 -11.980) 14.888 2.797 ( -8.240 5.290 -24.639) 26.513 3.340 ( -28.250 12.427 25.594) 40.094 4.170 ( -13.097 0.701 -10.254) 16.649 5.439 ( 2.649 12.007 1.394) 12.375 5.537 ( -1.070 11.192 -3.046) 11.648 5.718 ( -0.234 -0.361 -3.530) 3.556 5.793 ( 1.311 1.790 -5.991) 6.389 6.592 ( 4.277 1.436 6.970) 8.303 6.703 ( 8.664 3.146 0.634) 9.239 7.042 ( -1.196 -3.481 5.269) 6.427 7.316 ( 1.300 7.254 6.285) 9.686 7.401 ( 2.608 -4.609 -4.226) 6.775 7.880 ( 4.907 7.265 -10.132) 13.399 8.723 ( 9.191 -17.010 5.193) 20.020 9.129 ( 3.267 -13.525 -10.689) 17.546 9.255 ( 1.310 -5.670 10.689) 12.170 9.609 ( -2.969 -5.869 -4.335) 7.877 10.236 ( -9.240 -18.598 13.060) 24.532 10.721 ( -5.149 0.379 -8.384) 9.846 18.740 ( -2.754 0.684 0.936) 2.988 18.813 ( -5.347 -1.198 -2.703) 6.110 19.481 ( 1.687 -4.575 5.125) 7.074 19.655 ( 2.821 -3.079 -3.015) 5.151 39.432 ( 0.696 -1.945 0.969) 2.282 39.464 ( 1.789 -0.145 -0.190) 1.805 62.692 ( 6.002 20.368 21.627) 30.308 63.813 ( 23.216 43.294 -29.425) 57.264 ======================= Grid point 433 (134/228) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.042 11.756 27.815) 30.197 1.754 ( -4.864 19.870 20.041) 28.638 2.544 ( -3.141 11.159 -8.787) 14.547 2.618 ( -6.916 2.431 -21.170) 22.403 2.750 ( -18.420 16.434 27.305) 36.809 3.977 ( -6.060 1.620 -21.426) 22.326 5.365 ( 2.454 21.506 -2.451) 21.784 5.427 ( 0.713 10.953 -4.868) 12.007 5.676 ( -3.899 0.653 -1.217) 4.136 5.817 ( 1.749 0.692 -6.578) 6.842 6.639 ( 2.107 0.693 9.082) 9.349 6.811 ( 4.349 -0.256 0.645) 4.404 7.028 ( -1.912 0.128 9.614) 9.803 7.315 ( 3.153 2.766 7.223) 8.352 7.461 ( 0.081 -1.208 -6.015) 6.136 7.895 ( 2.990 7.157 -11.539) 13.904 9.009 ( 7.837 -11.836 5.204) 15.119 9.268 ( -1.083 -6.090 2.846) 6.808 9.304 ( 1.179 -9.563 -2.794) 10.032 9.562 ( -6.817 -7.431 -5.791) 11.628 10.316 ( -2.616 -27.142 13.126) 30.263 10.662 ( -1.093 -1.434 -4.489) 4.838 18.691 ( -1.736 0.755 0.302) 1.917 18.722 ( -4.568 -0.137 -1.455) 4.796 19.556 ( 1.397 -6.576 5.468) 8.666 19.725 ( 1.874 -3.002 -2.893) 4.571 39.457 ( 0.449 -1.536 0.924) 1.848 39.491 ( 1.206 0.767 -0.525) 1.523 62.631 ( 3.909 16.493 21.836) 27.642 63.811 ( 17.029 52.325 -36.739) 66.164 ======================= Grid point 434 (135/228) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -0.000 5.995 29.012) 29.625 1.531 ( -0.000 17.204 25.469) 30.735 2.291 ( -0.000 15.375 34.334) 37.619 2.529 ( -0.000 1.160 -18.769) 18.805 2.543 ( -0.000 8.994 -8.881) 12.640 3.914 ( -0.000 0.742 -27.776) 27.786 5.193 ( -0.000 23.606 -2.611) 23.750 5.349 ( -0.000 11.784 -8.968) 14.808 5.618 ( -0.000 0.258 2.925) 2.936 5.830 ( -0.000 0.504 -7.209) 7.226 6.656 ( -0.000 0.373 10.291) 10.298 6.881 ( 0.000 -4.297 -1.793) 4.656 6.986 ( -0.000 2.574 12.765) 13.022 7.345 ( -0.000 1.424 9.251) 9.359 7.437 ( -0.000 1.785 -7.506) 7.715 7.874 ( -0.000 4.830 -10.603) 11.652 9.177 ( 0.000 -5.784 7.018) 9.094 9.253 ( 0.000 -4.078 3.140) 5.147 9.402 ( 0.000 -4.857 -3.169) 5.800 9.545 ( 0.000 -7.807 -7.866) 11.083 10.507 ( 0.000 -19.075 8.591) 20.921 10.717 ( 0.000 -13.499 -0.898) 13.529 18.668 ( -0.000 0.596 -0.004) 0.596 18.670 ( -0.000 0.539 -0.095) 0.547 19.632 ( 0.000 -7.662 4.411) 8.841 19.765 ( 0.000 -1.885 -2.475) 3.111 39.470 ( 0.000 -0.409 0.597) 0.724 39.495 ( -0.000 0.663 -0.576) 0.879 62.572 ( -0.000 6.565 18.288) 19.431 63.524 ( -0.000 57.221 -33.120) 66.115 ======================= Grid point 437 (136/228) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 11.668 -0.000 -6.105) 13.169 1.858 ( 5.566 -0.000 -0.593) 5.598 2.761 ( 12.112 -0.000 1.842) 12.252 3.001 ( 11.332 -0.000 -15.791) 19.437 4.344 ( 24.762 -0.000 13.024) 27.979 4.672 ( 7.026 -0.000 3.469) 7.836 5.234 ( 9.389 -0.000 4.243) 10.304 5.482 ( 8.594 -0.000 -7.620) 11.485 5.667 ( 1.399 -0.000 1.387) 1.970 5.869 ( 4.988 -0.000 -5.608) 7.505 6.253 ( -10.802 0.000 2.076) 11.000 6.357 ( -5.449 0.000 -0.597) 5.482 6.913 ( -7.346 0.000 6.174) 9.596 7.215 ( -2.224 0.000 -4.093) 4.658 7.403 ( -3.574 0.000 -1.972) 4.082 7.537 ( -1.812 0.000 -6.747) 6.986 8.654 ( -11.483 0.000 7.592) 13.766 9.088 ( -13.885 0.000 -9.863) 17.031 9.189 ( -6.038 0.000 10.595) 12.195 9.582 ( -3.587 0.000 -5.186) 6.305 10.763 ( 3.436 -0.000 9.459) 10.063 11.108 ( 9.527 -0.000 -4.806) 10.671 18.852 ( 3.123 -0.000 2.805) 4.198 19.032 ( 3.521 -0.000 -5.516) 6.544 19.469 ( -3.548 0.000 2.466) 4.321 19.543 ( -4.174 0.000 -1.219) 4.349 39.444 ( -0.428 0.000 0.054) 0.431 39.447 ( -0.806 0.000 -0.085) 0.810 62.223 ( 0.257 -0.000 8.219) 8.223 62.527 ( -0.484 0.000 -5.238) 5.261 ======================= Grid point 438 (137/228) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 7.621 5.002 -4.165) 10.023 2.044 ( 7.237 -7.176 -9.698) 14.069 2.992 ( 12.657 2.151 5.198) 13.851 3.219 ( 9.878 -1.896 -8.132) 12.934 4.701 ( 10.516 0.781 4.822) 11.595 4.760 ( 5.580 -4.860 4.002) 8.413 5.398 ( 6.421 -0.380 4.573) 7.892 5.640 ( 5.947 1.295 -5.497) 8.202 5.722 ( 3.316 -1.081 2.718) 4.422 5.987 ( 7.900 0.583 -4.626) 9.174 6.087 ( -5.762 0.059 3.401) 6.691 6.289 ( -1.670 -1.580 -4.769) 5.294 6.808 ( -4.755 -3.155 6.487) 8.639 7.129 ( -6.196 -3.576 -7.387) 10.284 7.412 ( 2.915 -0.167 0.006) 2.920 7.495 ( -2.698 0.056 -4.453) 5.207 8.428 ( -10.759 2.819 6.035) 12.654 8.796 ( -15.372 2.692 -7.988) 17.532 9.083 ( -5.027 -0.198 11.511) 12.562 9.513 ( -3.607 0.735 -5.343) 6.488 10.802 ( 1.970 2.889 10.840) 11.390 11.247 ( 5.649 1.610 -7.372) 9.426 18.905 ( 2.467 0.030 3.195) 4.037 19.083 ( 2.384 0.709 -4.772) 5.381 19.404 ( -2.927 0.971 1.976) 3.663 19.472 ( -3.476 -0.365 -1.305) 3.731 39.429 ( -0.694 0.712 0.086) 0.997 39.433 ( -0.487 0.449 -0.070) 0.667 62.279 ( 3.969 -3.365 7.273) 8.943 62.595 ( 4.175 -6.755 -6.246) 10.103 ======================= Grid point 439 (138/228) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 9.538 4.694 -2.198) 10.855 2.223 ( 7.644 -3.234 -9.760) 12.812 3.168 ( 8.140 3.510 4.822) 10.091 3.359 ( 3.411 -1.005 -3.736) 5.157 4.776 ( 2.931 -2.156 6.412) 7.373 4.981 ( 8.315 -6.142 -4.109) 11.124 5.427 ( -2.995 1.521 2.290) 4.066 5.655 ( 1.444 5.779 -1.773) 6.214 5.780 ( 1.274 -0.737 2.061) 2.533 6.022 ( -2.142 1.590 4.521) 5.250 6.145 ( 8.322 0.177 -2.913) 8.819 6.337 ( 3.381 -4.312 -7.449) 9.247 6.799 ( -0.327 -5.814 5.898) 8.288 7.091 ( -2.419 -7.149 -7.443) 10.599 7.436 ( -2.539 0.639 -1.055) 2.823 7.483 ( 3.328 -0.859 -1.440) 3.727 8.236 ( -7.033 2.091 4.376) 8.543 8.499 ( -13.634 2.171 -4.954) 14.668 9.015 ( -2.856 -1.581 11.874) 12.315 9.435 ( -3.712 1.606 -3.745) 5.512 10.790 ( 0.208 4.618 10.261) 11.254 11.285 ( 0.496 3.127 -9.561) 10.072 18.942 ( 1.525 0.100 3.333) 3.666 19.109 ( 1.188 1.235 -3.909) 4.268 19.349 ( -2.059 0.757 1.688) 2.768 19.422 ( -2.356 -0.680 -1.610) 2.934 39.410 ( -0.564 1.015 0.192) 1.177 39.419 ( -0.545 0.683 -0.160) 0.888 62.411 ( 6.659 -3.760 7.736) 10.878 62.777 ( 9.006 -6.926 -7.779) 13.769 ======================= Grid point 440 (139/228) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 11.675 7.359 0.320) 13.804 2.385 ( 8.938 1.481 -7.616) 11.836 3.227 ( 1.367 3.808 3.333) 5.242 3.381 ( -0.268 -0.173 -3.172) 3.188 4.855 ( 1.997 -2.895 6.537) 7.423 5.137 ( 2.154 -5.420 -5.573) 8.066 5.340 ( -2.411 1.291 2.641) 3.802 5.609 ( -1.740 4.185 -6.172) 7.657 5.813 ( 4.271 4.280 4.875) 7.767 5.957 ( -3.500 0.246 3.960) 5.290 6.255 ( 2.825 0.265 -0.753) 2.935 6.437 ( 2.372 -4.942 -9.733) 11.171 6.866 ( 1.791 -5.486 4.493) 7.314 7.129 ( 0.187 -4.388 -7.944) 9.077 7.392 ( -2.034 -0.836 2.352) 3.219 7.553 ( 3.077 -1.366 -2.633) 4.274 8.146 ( -2.199 -0.318 3.774) 4.380 8.281 ( -8.229 -1.586 -1.984) 8.612 9.011 ( 0.141 -3.979 11.786) 12.441 9.348 ( -3.848 2.506 0.238) 4.599 10.744 ( -0.589 5.372 7.229) 9.026 11.219 ( -4.279 3.347 -11.069) 12.330 18.958 ( 0.326 0.212 3.228) 3.251 19.106 ( -0.334 1.461 -3.027) 3.378 19.317 ( -0.934 0.108 1.509) 1.778 19.397 ( -1.037 -0.965 -1.939) 2.401 39.392 ( -0.492 0.970 0.229) 1.112 39.403 ( -0.575 0.624 -0.202) 0.872 62.577 ( 8.564 -1.465 9.393) 12.795 63.032 ( 13.692 -2.931 -9.827) 17.106 ======================= Grid point 441 (140/228) ======================= q-point: (-0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 12.334 13.092 2.244) 18.126 2.527 ( 8.978 5.062 -5.260) 11.571 3.166 ( -4.274 2.978 3.790) 6.442 3.386 ( 1.099 0.828 -5.682) 5.846 4.850 ( -5.183 -2.960 5.478) 8.101 5.100 ( -9.942 -3.580 -3.938) 11.277 5.379 ( 6.188 0.013 2.727) 6.763 5.562 ( 1.129 3.868 -3.626) 5.421 5.854 ( 4.212 7.100 4.565) 9.434 5.913 ( -2.419 -4.761 1.231) 5.480 6.233 ( -4.410 0.974 -0.334) 4.528 6.497 ( 1.135 -2.396 -11.658) 11.955 6.939 ( 1.658 -4.223 2.669) 5.263 7.150 ( 0.678 0.711 -6.694) 6.766 7.366 ( -2.207 -1.759 3.820) 4.749 7.621 ( 2.343 -2.766 -4.460) 5.747 8.116 ( -1.192 -1.270 6.461) 6.692 8.277 ( 2.993 -7.219 -2.119) 8.097 9.081 ( 2.515 -5.931 10.450) 12.276 9.251 ( -3.826 3.061 5.724) 7.535 10.678 ( -1.938 5.846 3.479) 7.073 11.092 ( -6.778 0.837 -11.942) 13.757 18.950 ( -0.947 0.368 2.873) 3.047 19.074 ( -1.827 1.161 -2.361) 3.203 19.311 ( 0.029 -0.393 1.581) 1.629 19.399 ( 0.238 -1.269 -2.162) 2.518 39.376 ( -0.440 0.683 0.258) 0.852 39.389 ( -0.487 0.322 -0.192) 0.615 62.745 ( 9.788 2.708 12.007) 15.726 63.325 ( 17.832 3.594 -12.506) 22.075 ======================= Grid point 442 (141/228) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 12.122 19.033 3.209) 22.793 2.625 ( 6.207 6.840 -3.552) 9.896 3.038 ( -6.235 3.954 5.867) 9.430 3.389 ( 0.467 3.640 -9.201) 9.906 4.733 ( -10.410 -4.262 4.025) 11.947 4.859 ( -18.124 -3.896 -1.072) 18.569 5.492 ( 4.150 0.047 2.837) 5.027 5.599 ( 5.598 2.877 -0.525) 6.316 5.845 ( 0.332 3.495 0.989) 3.647 5.957 ( 3.757 -2.500 1.165) 4.661 6.096 ( -7.685 2.687 0.486) 8.156 6.536 ( 2.179 -0.157 -11.452) 11.658 7.000 ( 1.784 -2.755 0.370) 3.303 7.155 ( 1.317 2.084 -5.731) 6.239 7.347 ( -1.252 -2.985 4.821) 5.807 7.686 ( 2.131 -3.369 -5.937) 7.152 8.142 ( 1.765 -1.995 8.733) 9.130 8.441 ( 6.422 -8.447 -3.332) 11.122 9.121 ( -2.298 1.734 10.005) 10.411 9.234 ( 2.970 -6.077 7.355) 9.992 10.557 ( -6.399 4.934 2.460) 8.446 10.979 ( -5.788 -2.465 -12.927) 14.377 18.918 ( -1.991 0.533 2.363) 3.136 19.022 ( -2.995 0.553 -2.037) 3.664 19.322 ( 0.605 -0.824 2.022) 2.266 19.425 ( 1.231 -1.642 -2.345) 3.116 39.366 ( -0.275 0.164 0.335) 0.463 39.381 ( -0.128 -0.113 -0.142) 0.222 62.891 ( 10.368 7.894 15.339) 20.127 63.630 ( 21.231 11.283 -15.922) 28.837 ======================= Grid point 443 (142/228) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 11.163 22.913 4.843) 25.944 2.609 ( -2.391 8.280 -0.227) 8.622 2.881 ( -5.162 6.115 4.872) 9.369 3.327 ( -1.917 8.665 -14.844) 17.294 4.467 ( -21.746 -2.018 6.299) 22.730 4.585 ( -14.602 -7.097 2.990) 16.509 5.543 ( 2.087 -0.578 2.014) 2.957 5.648 ( 0.072 1.311 -0.880) 1.580 5.825 ( 0.477 5.042 -1.949) 5.426 5.928 ( -4.700 3.667 -4.454) 7.441 6.134 ( 11.878 -2.563 7.479) 14.268 6.584 ( 2.740 -0.414 -7.745) 8.225 7.041 ( 1.372 1.129 -0.119) 1.781 7.175 ( 2.635 1.131 -6.755) 7.339 7.385 ( 1.828 -4.709 4.968) 7.085 7.764 ( 3.139 -3.657 -6.312) 7.941 8.186 ( 1.480 -1.074 9.662) 9.833 8.625 ( 5.503 -8.300 -5.584) 11.418 9.075 ( -1.021 -0.511 12.097) 12.150 9.359 ( 3.626 -6.952 3.032) 8.407 10.370 ( -11.103 -0.182 5.157) 12.244 10.906 ( -4.578 -2.076 -14.247) 15.108 18.869 ( -2.637 0.675 1.817) 3.273 18.955 ( -3.854 -0.054 -1.901) 4.298 19.346 ( 0.898 -1.370 2.738) 3.191 19.470 ( 1.905 -2.167 -2.616) 3.895 39.365 ( 0.041 -0.554 0.531) 0.768 39.388 ( 0.622 -0.552 -0.121) 0.840 62.997 ( 10.291 13.280 19.147) 25.473 63.926 ( 23.833 18.986 -20.296) 36.612 ======================= Grid point 444 (143/228) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -9.903 16.416 9.179) 21.256 2.466 ( 2.626 19.710 7.943) 21.412 2.787 ( 0.386 5.576 -5.114) 7.576 3.167 ( -6.209 11.912 -19.593) 23.756 4.042 ( -22.259 3.918 13.443) 26.297 4.373 ( -13.791 -5.791 1.113) 14.999 5.593 ( 2.652 -0.711 0.531) 2.796 5.606 ( -1.674 2.868 2.303) 4.042 5.757 ( -2.777 1.737 -2.844) 4.338 5.875 ( 1.092 5.412 -6.659) 8.650 6.410 ( 13.737 -2.197 6.878) 15.518 6.642 ( 2.694 -1.541 -3.316) 4.542 7.033 ( 0.438 3.529 2.263) 4.215 7.241 ( 4.829 -0.207 -8.416) 9.705 7.457 ( 2.226 -0.220 6.313) 6.698 7.860 ( 4.023 -2.811 -6.845) 8.422 8.245 ( 3.261 -6.001 8.615) 10.994 8.776 ( 3.249 -9.070 -9.282) 13.379 9.095 ( 0.573 -4.562 12.532) 13.349 9.464 ( 1.144 -6.828 -0.804) 6.969 10.162 ( -13.687 -6.374 10.080) 18.154 10.832 ( -3.950 0.678 -15.306) 15.822 18.812 ( -2.825 0.811 1.271) 3.202 18.880 ( -4.397 -0.431 -1.770) 4.760 19.378 ( 1.013 -2.110 3.641) 4.329 19.530 ( 2.236 -2.859 -2.983) 4.698 39.377 ( 0.400 -1.289 0.916) 1.631 39.415 ( 1.577 -0.837 -0.265) 1.805 63.053 ( 9.432 18.123 23.107) 30.844 64.202 ( 25.377 25.881 -26.143) 44.691 ======================= Grid point 445 (144/228) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -11.573 17.831 15.169) 26.115 2.294 ( -4.842 16.200 12.376) 20.953 2.773 ( 3.250 8.385 -12.569) 15.455 2.915 ( -10.661 8.950 -18.162) 22.883 3.584 ( -17.750 16.326 18.700) 30.517 4.176 ( -9.863 -0.391 -5.793) 11.445 5.563 ( 0.419 3.942 4.053) 5.669 5.644 ( 2.747 2.076 -0.711) 3.516 5.716 ( -1.343 -0.298 -2.718) 3.046 5.850 ( 0.816 4.732 -7.695) 9.070 6.591 ( 2.558 -2.427 6.261) 7.185 6.741 ( 7.039 -0.021 -1.588) 7.216 7.023 ( 2.008 2.882 5.752) 6.739 7.349 ( 5.478 -1.041 -6.547) 8.599 7.444 ( 0.120 6.955 8.528) 11.005 7.948 ( 3.857 -0.257 -8.447) 9.290 8.443 ( 8.363 -14.958 5.718) 18.066 8.911 ( 2.481 -11.791 -11.068) 16.360 9.149 ( -0.822 -7.405 10.596) 12.953 9.492 ( -5.191 -7.853 -3.969) 10.216 9.989 ( -11.506 -11.006 16.285) 22.776 10.752 ( -2.628 3.371 -15.431) 16.012 18.754 ( -2.492 0.974 0.716) 2.769 18.800 ( -4.453 -0.312 -1.433) 4.688 19.418 ( 0.975 -3.121 4.650) 5.684 19.598 ( 2.118 -3.606 -3.332) 5.347 39.400 ( 0.611 -1.824 1.401) 2.380 39.457 ( 2.137 -0.728 -0.626) 2.343 63.048 ( 7.516 21.694 26.591) 35.132 64.435 ( 24.547 31.681 -34.272) 52.734 ======================= Grid point 446 (145/228) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -3.966 15.049 21.895) 26.863 2.040 ( -8.316 14.295 17.823) 24.314 2.661 ( -8.873 3.244 -17.255) 19.672 2.756 ( 2.729 12.296 -14.452) 19.171 3.122 ( -11.637 27.881 22.835) 37.871 4.024 ( -4.562 4.034 -14.947) 16.140 5.557 ( 2.386 4.764 2.377) 5.834 5.629 ( 0.645 8.325 -1.559) 8.494 5.696 ( -1.263 2.194 -2.815) 3.786 5.836 ( 0.820 1.802 -7.255) 7.520 6.623 ( -0.379 -3.824 6.594) 7.632 6.819 ( 1.870 1.578 -1.103) 2.684 7.061 ( 3.576 3.939 9.851) 11.196 7.363 ( -0.973 2.867 10.742) 11.161 7.465 ( 4.810 2.847 -7.287) 9.184 7.997 ( 2.521 3.463 -11.133) 11.928 8.758 ( 9.746 -17.214 4.756) 20.345 9.081 ( 4.647 -14.194 -8.107) 16.993 9.165 ( -4.654 -8.524 6.227) 11.537 9.407 ( -10.842 -10.908 -4.596) 16.052 9.946 ( -4.653 -15.653 19.752) 25.629 10.687 ( -1.004 3.950 -13.672) 14.267 18.706 ( -1.546 1.116 0.211) 1.918 18.724 ( -3.363 0.420 -0.683) 3.457 19.465 ( 0.710 -4.469 5.574) 7.179 19.664 ( 1.401 -4.152 -3.505) 5.612 39.426 ( 0.467 -2.030 1.699) 2.688 39.498 ( 1.624 -0.101 -1.072) 1.949 62.973 ( 4.274 23.150 28.382) 36.875 64.559 ( 17.518 37.289 -44.455) 60.610 ======================= Grid point 447 (146/228) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 10.180 24.999) 26.992 1.811 ( -0.000 15.324 23.209) 27.811 2.555 ( -0.000 1.932 -17.156) 17.265 2.654 ( -0.000 21.564 -2.371) 21.694 2.768 ( -0.000 22.832 15.688) 27.703 3.947 ( -0.000 3.712 -21.816) 22.130 5.521 ( -0.000 11.615 -3.007) 11.998 5.576 ( -0.000 15.148 -6.102) 16.330 5.624 ( -0.000 0.366 3.092) 3.114 5.840 ( -0.000 0.586 -7.060) 7.084 6.650 ( 0.000 -2.476 8.055) 8.427 6.825 ( 0.000 -0.835 0.315) 0.893 7.051 ( -0.000 5.395 12.002) 13.159 7.353 ( 0.000 -0.208 8.798) 8.800 7.482 ( -0.000 3.651 -7.228) 8.098 7.979 ( -0.000 6.487 -12.787) 14.338 9.013 ( 0.000 -14.185 6.721) 15.697 9.155 ( 0.000 -7.724 2.719) 8.189 9.285 ( 0.000 -9.251 -2.786) 9.661 9.349 ( 0.000 -15.567 -7.074) 17.099 10.069 ( 0.000 -24.100 18.650) 30.474 10.654 ( -0.000 1.606 -9.660) 9.792 18.682 ( -0.000 1.013 -0.009) 1.014 18.683 ( -0.000 1.017 -0.052) 1.018 19.516 ( 0.000 -5.958 5.998) 8.455 19.713 ( 0.000 -4.086 -3.376) 5.300 39.448 ( 0.000 -1.911 1.519) 2.441 39.511 ( -0.000 0.740 -1.158) 1.374 62.828 ( -0.000 21.550 26.914) 34.479 64.399 ( -0.000 45.423 -49.811) 67.411 ======================= Grid point 452 (147/228) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 8.084 -0.000 -4.110) 9.069 2.199 ( 11.786 -0.000 -9.104) 14.893 3.207 ( 8.812 -0.000 4.381) 9.841 3.343 ( 3.477 -0.000 -2.570) 4.324 4.758 ( 2.216 -0.000 6.016) 6.412 4.925 ( 9.303 -0.000 -3.377) 9.897 5.443 ( -2.705 0.000 1.964) 3.342 5.703 ( -1.266 0.000 -7.601) 7.706 5.775 ( 5.261 -0.000 7.996) 9.572 6.033 ( -2.065 0.000 6.586) 6.902 6.151 ( 8.634 -0.000 -4.965) 9.960 6.298 ( 2.635 -0.000 -6.955) 7.438 6.749 ( 0.388 -0.000 6.008) 6.021 7.021 ( -2.701 0.000 -6.112) 6.682 7.447 ( -2.613 0.000 -1.691) 3.112 7.476 ( 3.676 -0.000 -1.224) 3.874 8.253 ( -8.586 0.000 3.527) 9.282 8.520 ( -14.755 0.000 -6.911) 16.293 9.000 ( -3.492 0.000 13.149) 13.605 9.448 ( -3.738 0.000 -4.816) 6.096 10.831 ( -0.022 0.000 10.591) 10.591 11.311 ( 0.425 -0.000 -8.803) 8.814 18.943 ( 1.554 -0.000 3.430) 3.766 19.120 ( 1.192 -0.000 -4.273) 4.436 19.357 ( -2.411 0.000 1.443) 2.810 19.415 ( -2.451 0.000 -1.206) 2.732 39.419 ( -0.682 0.000 0.098) 0.689 39.425 ( -0.625 0.000 -0.126) 0.638 62.379 ( 7.864 -0.000 7.250) 10.696 62.717 ( 11.324 -0.000 -7.104) 13.368 ======================= Grid point 453 (148/228) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 10.720 0.958 -0.823) 10.794 2.440 ( 14.930 3.175 -7.932) 17.202 3.298 ( 1.366 4.392 2.118) 5.064 3.359 ( -0.473 -2.566 -0.366) 2.635 4.817 ( 2.180 -1.397 6.265) 6.779 5.068 ( 3.889 -2.384 -5.164) 6.890 5.361 ( -3.040 0.904 2.037) 3.770 5.643 ( -3.285 0.548 -9.301) 9.879 5.876 ( 3.530 2.014 7.756) 8.756 5.966 ( -3.011 1.037 8.191) 8.788 6.256 ( 1.642 -0.296 -2.478) 2.987 6.373 ( 4.298 -2.142 -11.130) 12.122 6.810 ( 4.396 -1.289 4.657) 6.533 7.040 ( 2.263 -4.286 -5.422) 7.272 7.399 ( -2.022 0.710 2.025) 2.948 7.539 ( 2.670 -0.384 -1.737) 3.208 8.134 ( -3.924 -0.654 0.849) 4.068 8.270 ( -11.355 -0.077 -3.730) 11.952 8.963 ( -0.965 -1.620 13.348) 13.481 9.374 ( -3.812 0.760 -2.213) 4.473 10.812 ( -0.645 2.374 7.726) 8.108 11.261 ( -5.112 1.405 -9.680) 11.037 18.961 ( 0.396 0.097 3.368) 3.393 19.125 ( -0.397 0.695 -3.641) 3.728 19.320 ( -1.365 0.125 1.340) 1.917 19.383 ( -1.166 -0.552 -1.425) 1.922 39.405 ( -0.662 0.446 0.097) 0.804 39.411 ( -0.749 0.269 -0.143) 0.808 62.559 ( 10.725 -0.653 9.078) 14.066 62.994 ( 17.277 -1.314 -9.347) 19.688 ======================= Grid point 454 (149/228) ======================= q-point: (-0.64 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 11.683 2.401 2.553) 12.198 2.680 ( 16.132 10.710 -6.230) 20.342 3.215 ( -4.952 2.687 3.499) 6.632 3.391 ( 1.785 -0.248 -3.638) 4.060 4.800 ( -6.550 -2.858 5.485) 9.009 5.052 ( -8.416 -2.126 -4.865) 9.951 5.379 ( 5.287 0.119 2.918) 6.039 5.608 ( 0.554 1.769 -6.515) 6.773 5.826 ( -5.360 -4.907 6.243) 9.581 5.980 ( 5.000 7.259 5.234) 10.251 6.236 ( -3.904 -0.894 -3.505) 5.323 6.458 ( 2.628 -1.957 -10.053) 10.574 6.900 ( 4.355 -0.269 2.802) 5.186 7.131 ( 3.205 -2.680 -6.752) 7.940 7.362 ( -1.478 0.654 5.013) 5.267 7.580 ( 0.993 -1.901 -2.244) 3.104 8.095 ( -3.161 -0.970 1.992) 3.860 8.161 ( -0.205 -5.941 -2.238) 6.352 8.996 ( 1.979 -3.955 12.651) 13.402 9.291 ( -4.072 1.674 2.540) 5.083 10.772 ( -0.655 4.847 2.582) 5.531 11.110 ( -9.407 0.994 -9.767) 13.597 18.955 ( -0.839 0.256 2.987) 3.114 19.094 ( -2.093 1.046 -2.857) 3.693 19.306 ( -0.238 -0.217 1.418) 1.455 19.379 ( 0.067 -0.977 -1.718) 1.978 39.388 ( -0.642 0.620 0.088) 0.897 39.394 ( -0.719 0.280 -0.123) 0.782 62.776 ( 12.494 1.137 12.264) 17.544 63.364 ( 21.879 1.299 -12.562) 25.263 ======================= Grid point 455 (150/228) ======================= q-point: (-0.57 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 9.318 4.833 4.074) 11.260 2.842 ( 13.724 18.274 -3.934) 23.189 3.099 ( -4.527 3.299 6.201) 8.357 3.431 ( 2.771 1.286 -6.851) 7.501 4.644 ( -13.296 -6.202 3.220) 15.021 4.809 ( -18.561 -2.009 -3.349) 18.967 5.477 ( 2.410 -1.786 3.225) 4.404 5.629 ( 2.702 0.781 -2.958) 4.082 5.828 ( 1.913 -4.113 3.878) 5.967 6.003 ( 4.031 6.660 1.977) 8.032 6.138 ( -5.570 2.165 -1.676) 6.206 6.509 ( 1.084 -2.518 -7.489) 7.975 6.982 ( 5.033 0.683 -0.718) 5.130 7.185 ( 2.283 1.584 -7.677) 8.164 7.331 ( -1.045 0.510 6.104) 6.214 7.620 ( 0.795 -4.176 -4.216) 5.987 8.093 ( 1.032 -3.597 5.934) 7.015 8.281 ( 4.410 -9.980 -2.717) 11.244 9.090 ( 3.248 -4.763 10.556) 12.027 9.201 ( -3.447 1.421 7.874) 8.712 10.670 ( -6.158 8.002 -0.853) 10.133 10.944 ( -7.092 -2.168 -10.754) 13.063 18.926 ( -1.866 0.452 2.388) 3.064 19.035 ( -3.265 0.907 -2.194) 4.037 19.311 ( 0.360 -0.557 1.766) 1.887 19.399 ( 0.980 -1.372 -1.997) 2.614 39.372 ( -0.589 0.454 0.163) 0.761 39.382 ( -0.360 0.107 -0.123) 0.395 62.994 ( 13.186 4.653 16.345) 21.511 63.773 ( 24.928 6.211 -16.554) 30.562 ======================= Grid point 456 (151/228) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 1.178 5.512 3.937) 6.876 2.884 ( 9.275 21.442 -2.161) 23.462 2.996 ( -2.152 8.389 9.362) 12.753 3.452 ( 1.961 5.791 -10.181) 11.876 4.404 ( -21.310 -5.551 2.267) 22.137 4.458 ( -17.637 -7.537 0.329) 19.183 5.514 ( 0.571 -2.762 2.185) 3.568 5.644 ( -1.540 -1.721 -3.354) 4.072 5.916 ( 2.951 5.372 -1.024) 6.215 5.995 ( -2.824 4.089 -4.975) 7.032 6.104 ( 9.643 -0.482 10.304) 14.121 6.538 ( -0.910 -4.274 -2.971) 5.284 7.084 ( 7.125 3.499 -4.292) 9.024 7.209 ( 2.895 2.834 -8.232) 9.175 7.330 ( 1.133 -1.149 6.370) 6.572 7.682 ( 1.645 -5.449 -6.038) 8.298 8.158 ( 1.994 -3.071 8.234) 9.012 8.457 ( 4.111 -11.944 -3.467) 13.099 9.081 ( -3.403 1.098 11.246) 11.801 9.248 ( 3.979 -6.125 7.009) 10.123 10.416 ( -13.881 5.073 1.760) 14.883 10.884 ( -1.889 -0.763 -14.641) 14.783 18.881 ( -2.495 0.657 1.732) 3.107 18.961 ( -3.958 0.587 -1.693) 4.344 19.326 ( 0.601 -0.966 2.357) 2.618 19.437 ( 1.525 -1.856 -2.341) 3.354 39.361 ( -0.336 -0.018 0.409) 0.529 39.382 ( 0.331 -0.277 -0.220) 0.485 63.182 ( 12.831 9.066 20.899) 26.145 64.179 ( 26.349 11.831 -21.287) 35.880 ======================= Grid point 457 (152/228) ======================= q-point: (-0.43 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -7.541 9.975 7.094) 14.376 2.812 ( -6.118 17.199 10.045) 20.836 2.902 ( 6.396 11.750 -5.051) 14.300 3.364 ( -5.641 11.185 -14.225) 18.955 4.047 ( -17.232 -4.071 8.590) 19.680 4.261 ( -11.516 -7.120 0.909) 13.570 5.553 ( 1.120 -2.583 0.684) 2.898 5.630 ( -0.565 -1.030 -1.078) 1.594 5.818 ( -4.167 5.716 -0.633) 7.102 5.959 ( 0.797 4.934 -5.813) 7.666 6.364 ( 13.202 -3.184 8.100) 15.813 6.559 ( -1.172 -7.206 -0.344) 7.309 7.145 ( 4.714 8.899 -0.810) 10.103 7.263 ( 5.306 2.543 -7.866) 9.823 7.411 ( 4.967 -3.670 3.248) 6.978 7.771 ( 2.408 -6.631 -6.921) 9.883 8.204 ( 1.591 -1.065 9.320) 9.514 8.614 ( 2.337 -11.469 -5.468) 12.919 9.028 ( -2.843 -3.066 12.042) 12.748 9.358 ( 1.631 -5.881 1.736) 6.345 10.111 ( -15.835 -0.141 8.547) 17.995 10.858 ( -0.459 2.296 -18.397) 18.546 18.826 ( -2.647 0.861 1.112) 2.998 18.880 ( -4.193 0.347 -1.253) 4.389 19.348 ( 0.671 -1.485 3.088) 3.492 19.485 ( 1.739 -2.502 -2.775) 4.121 39.361 ( 0.058 -0.669 0.854) 1.086 39.401 ( 1.234 -0.846 -0.481) 1.572 63.316 ( 11.402 13.629 25.514) 31.093 64.551 ( 25.982 16.798 -26.956) 41.035 ======================= Grid point 458 (153/228) ======================= q-point: (-0.36 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -10.497 16.247 11.597) 22.553 2.516 ( -11.304 10.962 10.590) 18.977 2.912 ( 2.310 8.845 -10.683) 14.060 3.069 ( -13.734 8.916 -12.099) 20.360 3.827 ( -5.732 11.019 11.138) 16.683 4.149 ( -4.889 -2.440 -0.909) 5.539 5.584 ( 0.623 -0.726 3.244) 3.382 5.655 ( 2.334 -0.520 -1.013) 2.597 5.725 ( -1.829 2.441 -0.605) 3.110 5.921 ( -0.794 3.879 -6.636) 7.728 6.511 ( -1.677 -6.766 6.053) 9.232 6.686 ( 7.641 -5.644 -1.877) 9.683 7.146 ( 5.019 10.838 4.346) 12.710 7.357 ( 5.959 1.306 -4.450) 7.551 7.516 ( 4.056 1.667 3.065) 5.350 7.872 ( 1.942 -7.571 -7.563) 10.876 8.282 ( 5.831 -4.558 7.981) 10.885 8.738 ( 1.764 -10.358 -7.783) 13.076 9.018 ( -3.686 -7.986 9.842) 13.200 9.371 ( -6.490 -6.251 -4.716) 10.170 9.868 ( -10.923 -4.221 18.204) 21.645 10.825 ( 0.128 5.153 -20.606) 21.241 18.771 ( -2.279 1.072 0.563) 2.581 18.801 ( -3.830 0.405 -0.787) 3.931 19.375 ( 0.617 -2.120 3.896) 4.478 19.541 ( 1.599 -3.267 -3.231) 4.865 39.373 ( 0.372 -1.334 1.450) 2.005 39.440 ( 1.867 -1.350 -0.938) 2.487 63.377 ( 8.773 17.775 29.647) 35.663 64.859 ( 22.987 20.318 -33.943) 45.753 ======================= Grid point 459 (154/228) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -7.722 15.614 16.390) 23.918 2.240 ( -8.709 10.684 15.629) 20.839 2.718 ( -11.107 3.673 -13.527) 17.884 2.923 ( 1.165 7.983 -13.511) 15.736 3.597 ( -2.450 27.158 13.489) 30.423 4.092 ( -1.346 3.541 -6.264) 7.320 5.599 ( 1.595 1.336 4.828) 5.257 5.670 ( -1.428 -0.070 0.587) 1.545 5.733 ( 3.227 0.886 -2.448) 4.146 5.873 ( -1.546 2.122 -6.685) 7.182 6.518 ( -3.006 -8.182 5.633) 10.378 6.818 ( 2.379 -2.772 -5.099) 6.272 7.170 ( 6.032 9.453 8.912) 14.324 7.409 ( -0.140 2.574 7.204) 7.651 7.551 ( 4.827 6.547 -3.522) 8.864 7.965 ( 1.375 -7.205 -8.144) 10.961 8.507 ( 10.049 -11.497 5.834) 16.346 8.874 ( 4.110 -10.785 -7.584) 13.810 9.006 ( -5.979 -10.595 5.152) 13.212 9.230 ( -13.644 -9.614 -5.131) 17.462 9.785 ( -3.102 -5.420 21.964) 22.835 10.779 ( 0.209 6.765 -20.646) 21.727 18.726 ( -1.389 1.259 0.134) 1.879 18.735 ( -2.546 0.844 -0.268) 2.695 19.406 ( 0.415 -2.880 4.704) 5.531 19.596 ( 1.033 -3.990 -3.583) 5.462 39.394 ( 0.370 -1.827 1.981) 2.721 39.485 ( 1.533 -1.422 -1.457) 2.549 63.345 ( 4.838 21.090 32.355) 38.923 65.047 ( 15.126 22.931 -42.064) 50.239 ======================= Grid point 460 (155/228) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.000 12.011 20.132) 23.442 2.042 ( -0.000 13.407 20.702) 24.664 2.589 ( -0.000 2.047 -14.745) 14.886 2.869 ( -0.000 8.814 -16.134) 18.384 3.305 ( -0.000 35.081 17.803) 39.340 4.035 ( -0.000 6.316 -12.283) 13.811 5.624 ( -0.000 2.604 2.026) 3.300 5.629 ( -0.000 0.284 3.285) 3.297 5.747 ( -0.000 5.378 -4.005) 6.705 5.847 ( -0.000 0.195 -6.647) 6.649 6.556 ( 0.000 -8.049 5.970) 10.021 6.843 ( -0.000 0.559 -3.767) 3.808 7.164 ( -0.000 8.406 10.655) 13.572 7.367 ( -0.000 2.575 11.107) 11.402 7.558 ( -0.000 5.603 -6.719) 8.748 8.024 ( 0.000 -2.671 -10.127) 10.474 8.751 ( 0.000 -15.396 6.521) 16.720 9.003 ( 0.000 -10.584 2.042) 10.779 9.092 ( 0.000 -12.867 -8.089) 15.199 9.103 ( 0.000 -12.804 -2.156) 12.984 9.813 ( 0.000 -8.321 21.708) 23.248 10.725 ( -0.000 6.368 -18.228) 19.309 18.700 ( -0.000 1.188 0.049) 1.189 18.703 ( -0.000 1.317 -0.054) 1.318 19.437 ( 0.000 -3.734 5.352) 6.526 19.641 ( 0.000 -4.397 -3.701) 5.747 39.414 ( 0.000 -2.039 2.120) 2.941 39.511 ( 0.000 -0.866 -1.637) 1.852 63.208 ( -0.000 23.129 32.259) 39.693 64.994 ( -0.000 27.700 -48.126) 55.528 ======================= Grid point 467 (156/228) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 11.882 -0.000 4.008) 12.540 2.779 ( 18.740 -0.000 -8.333) 20.509 3.240 ( -5.971 0.000 3.320) 6.832 3.386 ( 2.314 -0.000 -2.522) 3.423 4.772 ( -7.428 0.000 5.970) 9.530 5.034 ( -7.473 0.000 -5.266) 9.142 5.381 ( 4.518 -0.000 2.722) 5.274 5.623 ( 0.935 -0.000 -8.899) 8.948 5.780 ( -6.772 0.000 9.329) 11.527 6.052 ( 5.366 -0.000 6.618) 8.520 6.219 ( -3.675 0.000 -6.968) 7.878 6.441 ( 2.756 -0.000 -8.450) 8.889 6.910 ( 5.881 -0.000 2.037) 6.224 7.096 ( 5.120 -0.000 -4.123) 6.573 7.369 ( -1.552 0.000 4.994) 5.230 7.564 ( 0.173 -0.000 -1.404) 1.414 8.097 ( -6.395 0.000 -1.064) 6.483 8.098 ( 0.573 -0.000 -2.295) 2.365 8.962 ( 1.709 -0.000 13.681) 13.787 9.305 ( -4.017 0.000 1.266) 4.211 10.815 ( 0.129 -0.000 2.197) 2.201 11.118 ( -10.646 0.000 -8.719) 13.760 18.957 ( -0.803 0.000 3.043) 3.148 19.103 ( -2.221 0.000 -3.128) 3.836 19.304 ( -0.354 0.000 1.350) 1.395 19.371 ( 0.060 -0.000 -1.479) 1.480 39.394 ( -0.657 0.000 0.004) 0.657 39.396 ( -0.880 0.000 -0.081) 0.884 62.785 ( 13.449 -0.000 12.324) 18.242 63.374 ( 23.311 -0.000 -12.537) 26.468 ======================= Grid point 468 (157/228) ======================= q-point: (-0.64 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 9.763 1.481 8.092) 12.767 3.087 ( 16.635 8.964 -9.016) 20.937 3.139 ( -3.724 1.288 6.420) 7.533 3.437 ( 3.997 -0.064 -5.187) 6.549 4.551 ( -17.022 -3.900 5.018) 18.170 4.791 ( -18.252 -0.360 -5.243) 18.993 5.449 ( 0.635 -1.078 2.537) 2.828 5.631 ( -0.686 -0.216 -6.417) 6.458 5.774 ( 6.312 -1.841 8.476) 10.727 6.105 ( 2.299 4.819 0.965) 5.426 6.155 ( -2.949 -0.439 -3.996) 4.985 6.472 ( 0.126 -1.461 -4.209) 4.457 7.013 ( 6.492 2.130 -1.388) 6.972 7.200 ( 5.018 0.070 -5.378) 7.356 7.343 ( -0.734 0.577 5.908) 5.981 7.564 ( -0.369 -2.131 -2.193) 3.080 8.042 ( -0.395 -1.907 2.243) 2.971 8.153 ( 2.779 -4.511 -3.189) 6.184 9.028 ( 4.241 -2.135 12.769) 13.623 9.223 ( -4.451 0.793 5.995) 7.509 10.795 ( -3.614 6.449 -4.046) 8.427 10.897 ( -10.266 -3.645 -7.460) 13.203 18.932 ( -1.801 0.178 2.437) 3.035 19.047 ( -3.493 0.438 -2.426) 4.275 19.304 ( 0.241 -0.200 1.616) 1.647 19.383 ( 0.929 -0.553 -1.707) 2.021 39.378 ( -0.811 0.286 0.053) 0.861 39.383 ( -0.505 0.010 -0.109) 0.517 63.045 ( 14.669 1.510 16.791) 22.348 63.839 ( 26.817 1.938 -16.753) 31.679 ======================= Grid point 469 (158/228) ======================= q-point: (-0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 1.913 3.673 8.323) 9.296 3.081 ( -0.062 5.812 7.901) 9.809 3.228 ( 9.039 13.178 -5.435) 16.879 3.529 ( 6.103 5.601 -5.469) 9.926 4.260 ( -18.953 -11.014 1.647) 21.982 4.384 ( -24.933 -1.794 -3.488) 25.240 5.466 ( 0.725 -2.429 1.172) 2.793 5.603 ( -2.887 -2.701 -5.034) 6.401 5.974 ( 10.837 1.393 2.929) 11.312 6.054 ( -2.947 3.059 -4.171) 5.953 6.133 ( 2.809 3.408 6.432) 7.802 6.468 ( -2.989 -3.797 1.121) 4.961 7.138 ( 9.313 2.942 -5.517) 11.217 7.265 ( 3.956 3.227 -7.295) 8.904 7.342 ( 1.559 1.948 6.014) 6.511 7.603 ( 1.815 -3.854 -4.182) 5.970 8.090 ( 1.898 -4.350 4.734) 6.703 8.264 ( 2.462 -10.054 -2.755) 10.711 9.102 ( -2.382 1.213 10.310) 10.651 9.167 ( 2.536 -3.596 9.741) 10.689 10.505 ( -17.207 4.765 -0.479) 17.861 10.875 ( 1.096 -0.366 -13.875) 13.923 18.890 ( -2.407 0.404 1.727) 2.990 18.971 ( -4.115 0.546 -1.737) 4.500 19.314 ( 0.438 -0.514 2.102) 2.208 19.412 ( 1.369 -1.091 -2.054) 2.699 39.363 ( -0.614 0.185 0.290) 0.704 39.378 ( -0.019 -0.163 -0.267) 0.313 63.294 ( 14.382 4.491 21.817) 26.514 64.321 ( 27.687 5.549 -21.584) 35.542 ======================= Grid point 470 (159/228) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -4.266 6.722 8.154) 11.396 2.990 ( -5.376 9.306 7.090) 12.875 3.188 ( -0.130 16.567 -2.141) 16.705 3.515 ( -3.943 7.152 -7.759) 11.265 3.927 ( -20.248 -8.584 4.118) 22.374 4.143 ( -5.536 -7.837 -2.906) 10.026 5.515 ( 2.041 -1.887 -0.290) 2.795 5.592 ( -0.532 -3.161 -2.730) 4.210 5.920 ( -4.552 5.855 -0.288) 7.422 6.043 ( 0.242 5.343 -5.027) 7.340 6.314 ( 12.308 -2.702 9.090) 15.537 6.438 ( -3.823 -7.027 2.805) 8.477 7.270 ( 6.635 4.061 -5.115) 9.310 7.341 ( 7.141 8.212 -2.933) 11.271 7.370 ( 4.913 -1.239 1.039) 5.172 7.682 ( 3.189 -3.334 -6.057) 7.614 8.162 ( 1.733 -4.349 6.365) 7.902 8.400 ( 1.442 -13.730 -2.929) 14.113 9.006 ( -5.407 0.221 11.527) 12.734 9.273 ( 2.749 -4.441 4.775) 7.077 10.136 ( -18.308 2.408 7.303) 19.857 10.900 ( 2.222 2.466 -19.958) 20.232 18.838 ( -2.533 0.653 1.051) 2.819 18.888 ( -4.158 0.545 -1.096) 4.335 19.329 ( 0.473 -0.923 2.689) 2.882 19.450 ( 1.469 -1.713 -2.490) 3.361 39.354 ( -0.263 -0.182 0.682) 0.753 39.387 ( 0.678 -0.724 -0.543) 1.130 63.496 ( 12.657 8.171 26.806) 30.750 64.763 ( 25.926 9.231 -26.827) 38.432 ======================= Grid point 471 (160/228) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -6.454 12.570 9.429) 16.987 2.673 ( -16.851 8.919 9.233) 21.184 3.067 ( -2.285 9.767 -7.146) 12.316 3.190 ( -18.215 5.584 -9.043) 21.089 3.865 ( 1.159 -6.421 8.191) 10.472 4.145 ( 1.664 2.110 -1.637) 3.147 5.562 ( 1.759 -1.638 1.408) 2.786 5.637 ( 2.907 -1.209 -2.278) 3.887 5.795 ( -3.260 5.473 1.360) 6.514 5.985 ( -2.092 4.073 -5.113) 6.863 6.386 ( -4.606 -7.927 5.655) 10.772 6.588 ( 8.620 -5.668 -1.337) 10.403 7.345 ( 6.871 12.371 3.287) 14.527 7.373 ( 4.367 0.623 0.192) 4.416 7.525 ( 8.069 -0.020 -3.391) 8.753 7.766 ( 2.416 -3.402 -6.955) 8.111 8.238 ( 4.122 -2.885 6.916) 8.552 8.538 ( 1.202 -14.039 -3.890) 14.617 8.912 ( -6.261 -4.124 9.987) 12.488 9.290 ( -6.112 -3.931 -4.260) 8.423 9.833 ( -11.594 -0.535 19.242) 22.472 10.911 ( 2.235 5.072 -23.909) 24.543 18.788 ( -2.142 0.912 0.482) 2.377 18.811 ( -3.540 0.637 -0.521) 3.634 19.347 ( 0.420 -1.402 3.303) 3.613 19.493 ( 1.279 -2.443 -2.953) 4.040 39.356 ( 0.079 -0.747 1.228) 1.439 39.415 ( 1.252 -1.527 -0.983) 2.206 63.622 ( 9.562 11.953 31.182) 34.736 65.120 ( 21.294 11.881 -32.443) 40.585 ======================= Grid point 472 (161/228) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -12.096 13.696 12.020) 21.872 2.404 ( -5.079 9.472 12.354) 16.375 2.777 ( -14.354 3.262 -9.112) 17.312 3.033 ( -0.498 6.068 -11.595) 13.096 3.914 ( 2.556 7.394 7.485) 10.827 4.147 ( 1.832 5.422 -0.295) 5.730 5.610 ( 2.064 -0.370 3.674) 4.230 5.685 ( 0.835 2.554 0.237) 2.698 5.739 ( 1.770 0.696 -0.692) 2.024 5.904 ( -3.666 1.972 -4.945) 6.463 6.372 ( -3.929 -9.129 4.980) 11.116 6.742 ( 3.055 -5.563 -7.114) 9.534 7.353 ( 5.335 11.570 7.665) 14.869 7.439 ( 1.830 1.815 3.829) 4.616 7.651 ( 6.742 4.344 -2.742) 8.476 7.822 ( -0.265 -7.005 -6.695) 9.693 8.394 ( 9.727 -3.579 6.402) 12.182 8.686 ( 3.097 -13.115 -3.953) 14.044 8.837 ( -7.733 -8.933 5.734) 13.133 9.113 ( -14.170 -4.790 -6.743) 16.407 9.730 ( -2.180 -2.014 23.847) 24.031 10.895 ( 1.334 7.068 -25.374) 26.374 18.746 ( -1.335 1.140 0.085) 1.758 18.750 ( -2.080 0.927 -0.067) 2.279 19.367 ( 0.271 -1.918 3.898) 4.352 19.536 ( 0.792 -3.194 -3.351) 4.696 39.368 ( 0.201 -1.320 1.800) 2.241 39.454 ( 1.133 -2.168 -1.498) 2.868 63.649 ( 5.199 15.519 34.220) 37.933 65.341 ( 12.930 13.579 -38.169) 42.526 ======================= Grid point 473 (162/228) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.000 11.794 15.369) 19.373 2.261 ( -0.000 13.201 16.516) 21.143 2.618 ( -0.000 1.425 -11.844) 11.929 2.982 ( -0.000 5.687 -14.166) 15.265 3.808 ( -0.000 23.094 8.979) 24.778 4.124 ( -0.000 4.357 -2.548) 5.048 5.633 ( -0.000 0.103 3.429) 3.430 5.657 ( -0.000 2.729 2.980) 4.041 5.785 ( -0.000 0.390 -1.463) 1.514 5.845 ( 0.000 -0.329 -5.992) 6.001 6.409 ( 0.000 -9.420 5.156) 10.739 6.808 ( 0.000 -4.365 -8.107) 9.208 7.327 ( -0.000 11.259 8.842) 14.316 7.418 ( -0.000 2.542 9.199) 9.543 7.666 ( -0.000 7.553 -5.951) 9.616 7.898 ( 0.000 -10.741 -6.232) 12.418 8.573 ( 0.000 -5.291 8.051) 9.634 8.812 ( 0.000 -12.444 1.141) 12.496 8.870 ( 0.000 -15.280 -1.290) 15.335 8.961 ( 0.000 -4.166 -8.240) 9.233 9.733 ( 0.000 -2.690 22.952) 23.109 10.845 ( -0.000 7.831 -24.213) 25.448 18.720 ( -0.000 1.171 0.130) 1.179 18.725 ( -0.000 1.305 -0.074) 1.307 19.387 ( 0.000 -2.432 4.404) 5.031 19.573 ( 0.000 -3.786 -3.586) 5.215 39.383 ( 0.000 -1.700 2.131) 2.726 39.485 ( 0.000 -2.156 -1.778) 2.795 63.557 ( -0.000 18.704 34.925) 39.618 65.347 ( -0.000 16.313 -42.524) 45.545 ======================= Grid point 482 (163/228) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 2.303 -0.000 10.418) 10.670 3.133 ( 2.641 -0.000 12.185) 12.468 3.315 ( 3.349 -0.000 -10.983) 11.482 3.623 ( 15.069 -0.000 -7.993) 17.057 4.134 ( -24.087 0.000 5.370) 24.678 4.373 ( -25.962 0.000 -5.227) 26.483 5.446 ( 1.211 -0.000 0.452) 1.293 5.577 ( -3.520 0.000 -5.695) 6.695 5.981 ( 13.635 -0.000 5.500) 14.703 6.082 ( -3.988 0.000 -4.254) 5.831 6.170 ( 1.564 -0.000 3.029) 3.409 6.432 ( -3.950 0.000 3.273) 5.130 7.167 ( 8.809 -0.000 -4.989) 10.124 7.292 ( 3.935 -0.000 -5.583) 6.831 7.366 ( 3.509 -0.000 4.625) 5.805 7.567 ( 2.652 -0.000 -2.781) 3.843 8.048 ( 1.422 -0.000 2.512) 2.887 8.173 ( 1.322 -0.000 -2.920) 3.205 9.114 ( 5.578 -0.000 11.315) 12.615 9.135 ( -5.309 0.000 9.325) 10.730 10.548 ( -19.180 0.000 -1.252) 19.221 10.872 ( 2.867 -0.000 -13.358) 13.662 18.893 ( -2.379 0.000 1.735) 2.944 18.976 ( -4.195 0.000 -1.788) 4.560 19.310 ( 0.386 -0.000 2.012) 2.048 19.402 ( 1.339 -0.000 -1.931) 2.350 39.365 ( -0.719 0.000 0.243) 0.759 39.377 ( -0.171 0.000 -0.280) 0.328 63.331 ( 14.902 -0.000 22.098) 26.653 64.366 ( 28.118 -0.000 -21.637) 35.479 ======================= Grid point 484 (164/228) ======================= q-point: (-0.57 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -2.893 2.675 10.220) 10.954 3.135 ( -3.519 7.047 12.637) 14.891 3.333 ( -1.544 0.526 -8.507) 8.662 3.649 ( -9.764 10.180 0.171) 14.106 3.812 ( -24.689 -5.891 -3.191) 25.582 4.008 ( 2.483 -6.787 -5.390) 9.016 5.500 ( 3.571 0.216 -1.734) 3.976 5.539 ( -0.576 -2.676 -3.085) 4.124 5.991 ( -4.506 2.365 -0.932) 5.174 6.126 ( 0.384 3.930 -6.564) 7.660 6.282 ( 12.118 -1.018 9.728) 15.573 6.340 ( -6.518 -4.185 6.847) 10.338 7.309 ( 5.894 1.343 -1.055) 6.137 7.354 ( 3.800 -0.700 -4.076) 5.617 7.478 ( 10.458 5.985 -1.244) 12.114 7.662 ( 6.517 0.066 -4.282) 7.798 8.085 ( 1.016 -3.534 2.753) 4.594 8.210 ( -0.291 -7.463 -2.082) 7.754 9.021 ( -6.430 0.953 10.882) 12.675 9.217 ( 3.628 -2.007 6.828) 7.988 10.169 ( -20.001 1.213 6.916) 21.198 10.930 ( 3.635 1.056 -20.509) 20.856 18.846 ( -2.481 0.243 1.037) 2.700 18.895 ( -4.194 0.246 -1.081) 4.338 19.318 ( 0.380 -0.318 2.484) 2.533 19.431 ( 1.365 -0.612 -2.297) 2.741 39.353 ( -0.451 0.022 0.537) 0.702 39.378 ( 0.273 -0.323 -0.522) 0.672 63.585 ( 13.260 2.694 27.351) 30.515 64.862 ( 25.837 2.928 -26.618) 37.211 ======================= Grid point 485 (165/228) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -4.306 5.763 10.302) 12.565 2.825 ( -19.655 8.771 8.794) 23.250 3.212 ( -11.798 6.241 -6.796) 14.977 3.254 ( -16.376 3.287 -8.232) 18.621 3.709 ( 2.993 -9.972 10.666) 14.905 4.166 ( 7.140 0.085 -7.140) 10.098 5.537 ( 1.612 -1.266 0.596) 2.134 5.620 ( 5.464 -0.790 -3.467) 6.520 5.882 ( -3.967 4.433 1.728) 6.195 6.057 ( -2.989 4.614 -3.622) 6.584 6.261 ( -6.039 -7.013 5.453) 10.742 6.513 ( 8.813 -3.195 -1.008) 9.428 7.388 ( 4.202 1.345 2.449) 5.046 7.454 ( 6.211 -0.985 1.599) 6.489 7.603 ( 9.394 11.556 -3.087) 15.209 7.779 ( 7.201 3.789 -5.829) 10.010 8.156 ( 2.799 -6.607 3.051) 7.797 8.296 ( 0.030 -14.278 -1.828) 14.395 8.884 ( -7.591 0.064 9.955) 12.519 9.236 ( -5.258 -2.525 -2.592) 6.383 9.835 ( -13.111 0.428 19.907) 23.840 10.981 ( 3.439 3.136 -25.651) 26.070 18.800 ( -2.070 0.521 0.450) 2.182 18.820 ( -3.459 0.439 -0.432) 3.513 19.329 ( 0.313 -0.720 2.949) 3.051 19.462 ( 1.118 -1.309 -2.702) 3.203 39.348 ( -0.153 -0.241 0.942) 0.985 39.393 ( 0.677 -1.068 -0.866) 1.533 63.769 ( 9.974 5.889 31.840) 33.881 65.261 ( 20.264 5.486 -31.316) 37.702 ======================= Grid point 486 (166/228) ======================= q-point: (-0.43 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -15.675 8.709 8.996) 20.062 2.556 ( -1.806 8.905 9.807) 13.369 2.815 ( -16.952 0.957 -5.547) 17.863 3.141 ( -0.912 7.218 -10.034) 12.394 3.862 ( 3.421 -9.072 10.715) 14.450 4.252 ( 3.921 4.370 -4.626) 7.475 5.593 ( 2.937 -1.207 2.830) 4.254 5.725 ( 5.968 1.542 -3.348) 7.014 5.781 ( -2.858 3.945 2.800) 5.619 5.949 ( -4.952 3.706 -2.937) 6.847 6.229 ( -3.992 -8.079 3.583) 9.698 6.655 ( 3.286 -4.568 -8.689) 10.352 7.433 ( 1.930 1.378 5.341) 5.844 7.580 ( 6.900 7.722 4.594) 11.329 7.644 ( 3.620 2.052 -1.438) 4.403 7.843 ( 4.083 7.376 -5.511) 10.072 8.320 ( 9.045 -6.858 2.721) 11.672 8.441 ( 1.825 -16.151 -1.347) 16.309 8.743 ( -8.548 -2.196 7.086) 11.319 9.053 ( -14.134 -2.944 -6.209) 15.716 9.707 ( -2.282 -0.903 25.947) 26.063 10.999 ( 2.062 5.264 -28.253) 28.813 18.763 ( -1.543 0.778 0.067) 1.729 18.764 ( -1.654 0.709 0.022) 1.799 19.342 ( 0.191 -1.158 3.365) 3.564 19.493 ( 0.654 -2.055 -3.057) 3.741 39.351 ( 0.033 -0.693 1.405) 1.567 39.419 ( 0.683 -1.963 -1.282) 2.442 63.852 ( 5.380 9.180 34.925) 36.510 65.510 ( 11.579 7.283 -35.404) 37.954 ======================= Grid point 487 (167/228) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -0.000 9.900 11.122) 14.889 2.468 ( -0.000 11.483 12.999) 17.344 2.633 ( -0.000 0.254 -8.789) 8.793 3.077 ( -0.000 6.286 -11.669) 13.255 3.953 ( 0.000 -4.113 8.811) 9.724 4.236 ( -0.000 8.196 -1.861) 8.405 5.633 ( 0.000 -0.039 3.492) 3.492 5.722 ( -0.000 3.786 1.690) 4.146 5.805 ( -0.000 3.821 0.570) 3.864 5.837 ( 0.000 -0.596 -5.290) 5.323 6.257 ( 0.000 -8.738 3.586) 9.445 6.724 ( 0.000 -5.228 -10.509) 11.738 7.442 ( -0.000 0.932 6.207) 6.277 7.532 ( -0.000 13.602 6.826) 15.219 7.733 ( 0.000 -8.211 -2.768) 8.665 7.806 ( -0.000 9.372 -4.945) 10.597 8.564 ( -0.000 2.845 8.128) 8.612 8.599 ( 0.000 -13.698 0.079) 13.699 8.607 ( 0.000 -16.155 -0.214) 16.156 8.909 ( 0.000 -3.024 -5.905) 6.634 9.702 ( 0.000 -1.343 24.796) 24.832 10.969 ( -0.000 6.800 -28.118) 28.928 18.737 ( -0.000 0.932 0.201) 0.954 18.744 ( -0.000 1.034 -0.090) 1.038 19.355 ( 0.000 -1.576 3.699) 4.021 19.519 ( 0.000 -2.737 -3.290) 4.280 39.360 ( 0.000 -1.111 1.761) 2.082 39.445 ( 0.000 -2.464 -1.585) 2.930 63.814 ( -0.000 12.444 35.931) 38.025 65.554 ( -0.000 9.340 -38.174) 39.300 ======================= Grid point 498 (168/228) ======================= q-point: (-0.57 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( -5.165 0.000 11.493) 12.600 2.909 ( -19.661 0.000 8.964) 21.608 3.241 ( -26.967 0.000 -5.916) 27.608 3.310 ( -2.965 0.000 -12.338) 12.689 3.609 ( 2.716 -0.000 14.249) 14.505 4.163 ( 9.014 -0.000 -9.557) 13.137 5.525 ( 1.457 -0.000 0.371) 1.503 5.613 ( 6.796 -0.000 -3.975) 7.873 5.922 ( -4.061 0.000 1.554) 4.348 6.121 ( -2.568 0.000 -7.138) 7.586 6.177 ( -7.344 0.000 9.746) 12.203 6.486 ( 8.739 -0.000 -0.993) 8.795 7.405 ( 3.915 -0.000 4.358) 5.858 7.434 ( 6.060 -0.000 -0.627) 6.092 7.743 ( 12.926 -0.000 -2.508) 13.167 7.824 ( 10.066 -0.000 -4.259) 10.930 8.077 ( 0.314 -0.000 0.750) 0.814 8.148 ( -2.173 0.000 -1.002) 2.393 8.889 ( -7.933 0.000 9.582) 12.440 9.214 ( -4.872 0.000 -1.758) 5.180 9.839 ( -13.819 0.000 20.209) 24.483 11.008 ( 3.814 -0.000 -26.178) 26.454 18.804 ( -2.049 0.000 0.443) 2.096 18.824 ( -3.450 0.000 -0.414) 3.475 19.323 ( 0.278 -0.000 2.832) 2.845 19.451 ( 1.071 -0.000 -2.604) 2.815 39.347 ( -0.237 0.000 0.815) 0.848 39.384 ( 0.446 -0.000 -0.793) 0.910 63.817 ( 10.102 -0.000 32.019) 33.575 65.306 ( 19.936 -0.000 -30.926) 36.795 ======================= Grid point 500 (169/228) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -14.923 2.791 7.695) 17.020 2.683 ( -3.361 5.589 9.286) 11.347 2.806 ( -17.528 -1.680 -4.307) 18.128 3.256 ( -1.141 5.325 -11.630) 12.842 3.712 ( 3.564 -6.775 15.682) 17.451 4.283 ( 4.060 0.298 -8.746) 9.647 5.578 ( 3.640 -0.485 2.951) 4.711 5.741 ( 6.629 0.482 -4.681) 8.130 5.831 ( -4.722 1.662 4.425) 6.681 6.022 ( -4.183 4.840 -2.471) 6.858 6.112 ( -3.637 -5.988 2.345) 7.388 6.602 ( 3.235 -1.733 -9.873) 10.533 7.457 ( 2.149 1.173 5.724) 6.226 7.561 ( 5.702 -1.618 2.178) 6.315 7.854 ( 5.006 14.431 2.079) 15.415 7.987 ( 8.298 9.116 -3.750) 12.885 8.165 ( 4.373 -12.241 -0.554) 13.011 8.183 ( 2.371 -12.489 -0.286) 12.716 8.738 ( -7.603 0.434 6.714) 10.153 9.016 ( -14.586 -1.328 -5.313) 15.580 9.697 ( -2.656 -0.293 27.497) 27.627 11.060 ( 2.393 1.943 -29.584) 29.745 18.771 ( -1.917 0.269 0.078) 1.938 18.772 ( -1.211 0.269 0.040) 1.242 19.329 ( 0.154 -0.394 3.106) 3.135 19.470 ( 0.594 -0.710 -2.871) 3.016 39.345 ( -0.067 -0.164 1.098) 1.112 39.395 ( 0.395 -0.826 -1.062) 1.402 63.952 ( 5.452 3.010 35.138) 35.685 65.588 ( 10.973 2.311 -34.082) 35.880 ======================= Grid point 501 (170/228) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -0.000 6.215 7.769) 9.949 2.623 ( -0.000 6.855 11.231) 13.157 2.628 ( 0.000 -0.716 -6.077) 6.119 3.192 ( -0.000 7.173 -10.942) 13.084 3.817 ( 0.000 -9.640 13.819) 16.849 4.314 ( -0.000 1.506 -6.842) 7.006 5.632 ( 0.000 -0.064 3.497) 3.498 5.757 ( -0.000 1.188 5.087) 5.224 5.828 ( 0.000 -0.447 -4.762) 4.783 5.910 ( -0.000 7.160 -2.430) 7.561 6.129 ( 0.000 -6.759 1.818) 6.999 6.650 ( 0.000 -3.341 -12.455) 12.895 7.465 ( -0.000 1.731 5.939) 6.187 7.639 ( 0.000 -3.383 0.851) 3.489 7.770 ( -0.000 15.092 4.887) 15.864 7.973 ( -0.000 10.802 -3.757) 11.437 8.330 ( 0.000 -16.566 1.091) 16.602 8.382 ( 0.000 -13.063 -1.156) 13.114 8.624 ( -0.000 3.476 5.707) 6.682 8.856 ( 0.000 -3.150 -3.767) 4.910 9.685 ( 0.000 -0.756 26.748) 26.758 11.059 ( -0.000 3.921 -30.286) 30.539 18.749 ( -0.000 0.515 0.249) 0.572 18.758 ( -0.000 0.569 -0.100) 0.578 19.335 ( 0.000 -0.802 3.291) 3.387 19.484 ( 0.000 -1.436 -3.032) 3.355 39.347 ( 0.000 -0.457 1.332) 1.408 39.410 ( 0.000 -1.676 -1.272) 2.104 63.966 ( -0.000 6.095 36.221) 36.730 65.665 ( -0.000 4.336 -35.751) 36.013 ======================= Grid point 515 (171/228) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.000 0.000 6.314) 6.314 2.619 ( -0.000 0.000 -4.821) 4.821 2.681 ( -0.000 0.000 10.856) 10.856 3.267 ( -0.000 0.000 -12.941) 12.941 3.718 ( -0.000 0.000 17.744) 17.744 4.320 ( -0.000 0.000 -8.889) 8.889 5.631 ( -0.000 0.000 3.491) 3.491 5.767 ( -0.000 0.000 6.975) 6.975 5.824 ( -0.000 0.000 -4.568) 4.568 5.999 ( -0.000 0.000 -8.810) 8.810 6.046 ( 0.000 -0.000 5.713) 5.713 6.622 ( -0.000 0.000 -13.264) 13.264 7.483 ( -0.000 0.000 6.312) 6.312 7.612 ( -0.000 0.000 2.461) 2.461 7.981 ( -0.000 0.000 3.862) 3.862 8.085 ( 0.000 -0.000 0.542) 0.542 8.168 ( -0.000 0.000 -0.799) 0.799 8.190 ( 0.000 -0.000 -2.778) 2.778 8.656 ( -0.000 0.000 4.159) 4.159 8.825 ( -0.000 0.000 -2.933) 2.933 9.679 ( 0.000 -0.000 27.646) 27.646 11.092 ( -0.000 0.000 -30.973) 30.973 18.754 ( -0.000 0.000 0.265) 0.265 18.762 ( -0.000 0.000 -0.103) 0.103 19.328 ( -0.000 0.000 3.158) 3.158 19.472 ( -0.000 0.000 -2.934) 2.934 39.343 ( -0.000 0.000 1.145) 1.145 39.395 ( -0.000 0.000 -1.122) 1.122 64.016 ( -0.000 0.000 36.274) 36.274 65.701 ( -0.000 0.000 -34.995) 34.995 ======================= Grid point 609 (172/228) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 0.000 -24.797) 24.797 1.951 ( 0.000 0.000 24.797) 24.797 2.026 ( 0.000 0.000 -26.134) 26.134 2.026 ( 0.000 0.000 26.134) 26.134 3.161 ( 0.000 0.000 -39.645) 39.645 3.161 ( 0.000 0.000 39.645) 39.645 5.052 ( 0.000 0.000 -6.348) 6.348 5.052 ( 0.000 0.000 6.348) 6.348 5.697 ( 0.000 0.000 -4.776) 4.776 5.697 ( 0.000 0.000 4.776) 4.776 6.819 ( 0.000 0.000 -5.729) 5.729 6.819 ( 0.000 0.000 5.729) 5.729 7.224 ( 0.000 0.000 -10.834) 10.834 7.224 ( 0.000 0.000 10.834) 10.834 7.598 ( 0.000 0.000 -12.796) 12.796 7.598 ( 0.000 0.000 12.796) 12.796 9.365 ( 0.000 0.000 -3.802) 3.802 9.365 ( 0.000 0.000 3.802) 3.802 9.403 ( 0.000 0.000 -9.564) 9.564 9.403 ( 0.000 0.000 9.564) 9.564 10.788 ( 0.000 0.000 -7.633) 7.633 10.788 ( 0.000 0.000 7.633) 7.633 18.664 ( 0.000 0.000 -0.067) 0.067 18.664 ( 0.000 0.000 0.067) 0.067 19.744 ( 0.000 0.000 -1.237) 1.237 19.744 ( 0.000 0.000 1.237) 1.237 39.480 ( 0.000 0.000 -0.717) 0.717 39.480 ( 0.000 0.000 0.717) 0.717 62.745 ( 0.000 0.000 -2.454) 2.454 62.745 ( 0.000 0.000 2.454) 2.454 ======================= Grid point 611 (173/228) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -3.814 -6.022 -2.358) 7.508 1.941 ( -3.814 -6.022 2.358) 7.508 2.087 ( 5.731 -2.330 -6.586) 9.036 2.087 ( 5.731 -2.330 6.586) 9.036 3.336 ( 16.864 -2.397 -33.389) 37.483 3.336 ( 16.864 -2.397 33.389) 37.483 5.105 ( 1.076 -9.621 -5.506) 11.137 5.105 ( 1.076 -9.621 5.506) 11.137 5.704 ( 0.405 -0.090 -3.415) 3.440 5.704 ( 0.405 -0.090 3.415) 3.440 6.776 ( -4.394 0.012 -4.313) 6.157 6.776 ( -4.394 0.012 4.313) 6.157 7.230 ( 0.176 -0.610 -8.959) 8.982 7.230 ( 0.176 -0.610 8.959) 8.982 7.579 ( -2.255 -0.543 -11.425) 11.658 7.579 ( -2.255 -0.543 11.425) 11.658 9.277 ( -4.787 3.908 -7.055) 9.379 9.277 ( -4.787 3.908 7.055) 9.379 9.476 ( 4.731 1.394 -7.454) 8.938 9.476 ( 4.731 1.394 7.454) 8.938 10.736 ( -0.920 7.847 -4.380) 9.034 10.736 ( -0.920 7.847 4.380) 9.034 18.695 ( 3.034 -0.169 -0.875) 3.162 18.695 ( 3.034 -0.169 0.875) 3.162 19.713 ( -2.197 2.137 -1.969) 3.643 19.713 ( -2.197 2.137 1.969) 3.643 39.477 ( -0.410 -0.069 -0.544) 0.685 39.477 ( -0.410 -0.069 0.544) 0.685 62.747 ( -5.916 -14.058 -10.077) 18.280 62.747 ( -5.916 -14.058 10.077) 18.280 ======================= Grid point 613 (174/228) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -4.371 -11.898 -11.202) 16.916 1.932 ( -4.371 -11.898 11.202) 16.916 2.270 ( 10.730 -3.823 -2.287) 11.618 2.270 ( 10.730 -3.823 2.287) 11.618 3.768 ( 25.200 -2.863 -23.235) 34.396 3.768 ( 25.200 -2.863 23.235) 34.396 5.233 ( 1.834 -13.813 -4.094) 14.523 5.233 ( 1.834 -13.813 4.094) 14.523 5.705 ( -0.219 0.283 -1.136) 1.191 5.705 ( -0.219 0.283 1.136) 1.191 6.666 ( -7.704 -0.954 -1.921) 7.997 6.666 ( -7.704 -0.954 1.921) 7.997 7.226 ( -1.038 0.562 -5.743) 5.863 7.226 ( -1.038 0.562 5.743) 5.863 7.534 ( -3.395 -2.563 -9.721) 10.611 7.534 ( -3.395 -2.563 9.721) 10.611 9.118 ( -6.374 9.948 -9.309) 15.041 9.118 ( -6.374 9.948 9.309) 15.041 9.518 ( 0.738 1.814 -8.470) 8.693 9.518 ( 0.738 1.814 8.470) 8.693 10.680 ( 3.706 9.488 -3.983) 10.937 10.680 ( 3.706 9.488 3.983) 10.937 18.767 ( 4.297 0.075 -2.229) 4.841 18.767 ( 4.297 0.075 2.229) 4.841 19.639 ( -3.275 2.951 -2.858) 5.253 19.639 ( -3.275 2.951 2.858) 5.253 39.464 ( -0.799 0.464 -0.266) 0.962 39.464 ( -0.799 0.464 0.266) 0.962 62.757 ( -8.987 -22.015 -15.071) 28.153 62.757 ( -8.987 -22.015 15.071) 28.153 ======================= Grid point 615 (175/228) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -3.206 -15.584 -10.092) 18.841 1.978 ( -3.206 -15.584 10.092) 18.841 2.538 ( 14.344 -3.618 -6.448) 16.138 2.538 ( 14.344 -3.618 6.448) 16.138 4.257 ( 23.744 -1.927 -15.114) 28.212 4.257 ( 23.744 -1.927 15.114) 28.212 5.385 ( 2.377 -12.548 -4.479) 13.534 5.385 ( 2.377 -12.548 4.479) 13.534 5.701 ( 0.682 0.582 -3.455) 3.570 5.701 ( 0.682 0.582 3.455) 3.570 6.506 ( -10.324 -1.359 -1.463) 10.515 6.506 ( -10.324 -1.359 1.463) 10.515 7.179 ( -2.574 1.817 -5.903) 6.691 7.179 ( -2.574 1.817 5.903) 6.691 7.510 ( -2.754 -5.611 -9.438) 11.320 7.510 ( -2.754 -5.611 9.438) 11.320 8.884 ( -7.966 13.068 -11.725) 19.280 8.884 ( -7.966 13.068 11.726) 19.280 9.476 ( -3.202 1.862 -9.914) 10.583 9.476 ( -3.202 1.862 9.914) 10.583 10.722 ( 7.932 8.420 -8.551) 14.385 10.722 ( 7.932 8.420 8.551) 14.385 18.845 ( 4.199 0.390 -3.006) 5.179 18.845 ( 4.199 0.390 3.006) 5.179 19.552 ( -3.351 2.657 -3.131) 5.300 19.552 ( -3.351 2.657 3.131) 5.300 39.441 ( -0.894 1.132 -0.219) 1.459 39.441 ( -0.894 1.132 0.219) 1.459 62.775 ( -9.198 -23.502 -15.860) 29.808 62.775 ( -9.198 -23.502 15.860) 29.808 ======================= Grid point 617 (176/228) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -2.797 -14.519 -10.338) 18.042 2.049 ( -2.797 -14.519 10.338) 18.042 2.840 ( 14.458 -2.798 -8.287) 16.898 2.840 ( 14.458 -2.798 8.287) 16.898 4.647 ( 16.027 -1.434 -7.901) 17.926 4.647 ( 16.027 -1.434 7.901) 17.926 5.500 ( 0.677 -6.511 -4.835) 8.139 5.500 ( 0.677 -6.511 4.835) 8.139 5.750 ( 5.182 -0.476 -5.797) 7.791 5.750 ( 5.182 -0.476 5.797) 7.791 6.319 ( -9.976 -1.046 -5.925) 11.650 6.319 ( -9.976 -1.046 5.925) 11.650 7.121 ( -2.244 0.445 -5.321) 5.792 7.121 ( -2.244 0.445 5.321) 5.792 7.513 ( -2.396 -5.961 -7.054) 9.541 7.513 ( -2.396 -5.961 7.054) 9.541 8.636 ( -7.699 10.156 -12.675) 17.974 8.636 ( -7.699 10.156 12.675) 17.974 9.389 ( -3.963 1.740 -10.523) 11.379 9.389 ( -3.963 1.740 10.523) 11.379 10.803 ( 7.278 8.122 -11.281) 15.690 10.803 ( 7.278 8.122 11.281) 15.690 18.914 ( 3.564 0.495 -3.209) 4.821 18.914 ( 3.564 0.495 3.209) 4.821 19.474 ( -2.906 1.940 -2.971) 4.586 19.474 ( -2.906 1.940 2.971) 4.586 39.415 ( -0.661 1.399 -0.351) 1.586 39.415 ( -0.661 1.399 0.351) 1.586 62.799 ( -7.714 -20.645 -14.734) 26.510 62.799 ( -7.714 -20.645 14.734) 26.510 ======================= Grid point 619 (177/228) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -2.007 -10.757 -10.878) 15.429 2.108 ( -2.007 -10.757 10.878) 15.429 3.090 ( 9.930 -1.094 -7.789) 12.668 3.090 ( 9.930 -1.094 7.789) 12.668 4.885 ( 8.772 -2.042 -4.540) 10.086 4.885 ( 8.772 -2.042 4.540) 10.086 5.513 ( -1.728 -0.346 -2.158) 2.786 5.513 ( -1.728 -0.346 2.158) 2.786 5.850 ( 2.294 -0.135 -6.459) 6.856 5.850 ( 2.294 -0.135 6.459) 6.856 6.214 ( -0.571 -2.231 -9.333) 9.613 6.214 ( -0.571 -2.231 9.333) 9.613 7.090 ( -1.303 -0.633 -3.909) 4.169 7.090 ( -1.303 -0.633 3.909) 4.169 7.513 ( -1.962 -3.990 -4.651) 6.434 7.513 ( -1.962 -3.990 4.651) 6.435 8.443 ( -6.414 4.742 -10.766) 13.399 8.443 ( -6.414 4.742 10.766) 13.399 9.316 ( -2.455 0.834 -9.504) 9.851 9.316 ( -2.455 0.834 9.504) 9.851 10.846 ( 4.188 7.553 -12.892) 15.518 10.846 ( 4.188 7.553 12.892) 15.518 18.969 ( 2.671 0.402 -3.142) 4.143 18.969 ( 2.671 0.402 3.142) 4.143 19.414 ( -2.179 1.194 -2.704) 3.672 19.414 ( -2.179 1.194 2.704) 3.672 39.395 ( -0.324 1.182 -0.436) 1.301 39.395 ( -0.324 1.182 0.436) 1.301 62.824 ( -5.413 -15.115 -13.289) 20.842 62.824 ( -5.413 -15.115 13.289) 20.842 ======================= Grid point 621 (178/228) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.763 -5.840 -10.525) 12.061 2.151 ( -0.763 -5.840 10.525) 12.061 3.219 ( 3.872 0.304 -6.054) 7.193 3.219 ( 3.872 0.304 6.054) 7.193 5.033 ( 5.306 -2.406 -7.472) 9.475 5.033 ( 5.306 -2.406 7.472) 9.475 5.463 ( -2.366 1.964 -0.775) 3.171 5.463 ( -2.366 1.964 0.775) 3.171 5.824 ( -2.866 0.159 -4.968) 5.738 5.824 ( -2.866 0.159 4.968) 5.738 6.308 ( 5.657 -1.951 -7.235) 9.389 6.308 ( 5.657 -1.951 7.235) 9.389 7.076 ( -0.751 -0.300 -2.004) 2.161 7.076 ( -0.751 -0.300 2.004) 2.161 7.510 ( -0.841 -1.885 -2.896) 3.556 7.510 ( -0.841 -1.885 2.896) 3.556 8.317 ( -4.245 1.410 -6.783) 8.125 8.317 ( -4.245 1.410 6.783) 8.125 9.287 ( -0.588 -0.299 -6.346) 6.380 9.287 ( -0.588 -0.299 6.346) 6.380 10.843 ( 1.432 4.954 -13.411) 14.369 10.843 ( 1.432 4.954 13.411) 14.369 19.006 ( 1.481 0.215 -3.008) 3.360 19.006 ( 1.481 0.215 3.008) 3.360 19.375 ( -1.204 0.552 -2.498) 2.827 19.375 ( -1.204 0.552 2.498) 2.827 39.384 ( -0.095 0.654 -0.451) 0.800 39.384 ( -0.095 0.654 0.451) 0.800 62.843 ( -2.766 -7.958 -12.251) 14.868 62.843 ( -2.766 -7.958 12.251) 14.868 ======================= Grid point 623 (179/228) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -0.000 -10.124) 10.124 2.170 ( 0.000 0.000 10.124) 10.124 3.250 ( 0.000 0.000 -4.632) 4.632 3.250 ( 0.000 -0.000 4.632) 4.632 5.101 ( 0.000 0.000 -8.810) 8.810 5.101 ( 0.000 0.000 8.810) 8.810 5.424 ( 0.000 -0.000 -2.286) 2.286 5.424 ( 0.000 -0.000 2.286) 2.286 5.792 ( 0.000 0.000 -3.940) 3.940 5.792 ( 0.000 -0.000 3.940) 3.940 6.378 ( 0.000 -0.000 -6.644) 6.644 6.378 ( 0.000 -0.000 6.644) 6.644 7.069 ( 0.000 -0.000 -0.291) 0.291 7.069 ( 0.000 0.000 0.291) 0.291 7.511 ( 0.000 -0.000 -1.713) 1.713 7.511 ( 0.000 0.000 1.713) 1.713 8.270 ( 0.000 0.000 -4.219) 4.219 8.270 ( 0.000 -0.000 4.219) 4.219 9.286 ( 0.000 -0.000 -2.780) 2.780 9.286 ( 0.000 0.000 2.780) 2.780 10.833 ( 0.000 -0.000 -13.349) 13.349 10.833 ( 0.000 -0.000 13.349) 13.349 19.019 ( 0.000 0.000 -2.942) 2.942 19.019 ( 0.000 -0.000 2.942) 2.942 19.361 ( 0.000 0.000 -2.419) 2.419 19.361 ( 0.000 0.000 2.419) 2.419 39.380 ( 0.000 -0.000 -0.444) 0.444 39.380 ( 0.000 0.000 0.444) 0.444 62.851 ( 0.000 -0.000 -11.883) 11.883 62.851 ( 0.000 0.000 11.883) 11.883 ======================= Grid point 641 (180/228) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -4.612 0.000 -9.609) 10.658 1.828 ( -4.612 0.000 9.609) 10.658 2.239 ( 11.376 -0.000 -1.729) 11.507 2.239 ( 11.376 -0.000 1.729) 11.507 3.745 ( 26.070 -0.000 -24.225) 35.588 3.745 ( 26.070 -0.000 24.225) 35.588 5.106 ( 3.222 -0.000 -6.061) 6.864 5.106 ( 3.222 -0.000 6.061) 6.864 5.707 ( -0.102 0.000 -0.392) 0.405 5.707 ( -0.102 0.000 0.392) 0.405 6.658 ( -7.881 0.000 -1.779) 8.079 6.658 ( -7.881 0.000 1.779) 8.079 7.227 ( -0.708 0.000 -3.460) 3.532 7.227 ( -0.708 0.000 3.460) 3.532 7.517 ( -3.832 0.000 -6.184) 7.275 7.517 ( -3.832 0.000 6.184) 7.275 9.202 ( -5.738 0.000 -9.397) 11.011 9.202 ( -5.738 0.000 9.397) 11.011 9.532 ( 0.345 -0.000 -8.249) 8.256 9.532 ( 0.345 -0.000 8.249) 8.256 10.767 ( 1.812 -0.000 -0.077) 1.813 10.767 ( 1.812 -0.000 0.077) 1.813 18.768 ( 4.477 -0.000 -2.505) 5.130 18.768 ( 4.477 -0.000 2.505) 5.130 19.665 ( -3.722 0.000 -1.755) 4.115 19.665 ( -3.722 0.000 1.755) 4.115 39.468 ( -0.555 0.000 -0.466) 0.725 39.468 ( -0.555 0.000 0.466) 0.725 62.563 ( -7.112 0.000 -6.220) 9.448 62.563 ( -7.112 0.000 6.220) 9.449 ======================= Grid point 643 (181/228) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -1.273 -5.833 -8.842) 10.669 1.796 ( -1.273 -5.833 8.842) 10.669 2.498 ( 15.406 -1.215 -3.691) 15.888 2.498 ( 15.406 -1.215 3.691) 15.888 4.235 ( 24.355 -0.735 -16.412) 29.378 4.235 ( 24.355 -0.735 16.412) 29.378 5.217 ( 5.596 -6.185 -5.680) 10.091 5.217 ( 5.596 -6.185 5.680) 10.091 5.706 ( 0.450 0.118 -2.910) 2.947 5.706 ( 0.450 0.118 2.910) 2.947 6.493 ( -9.761 -0.337 -0.732) 9.794 6.493 ( -9.761 -0.337 0.732) 9.794 7.187 ( -3.951 -0.311 -4.577) 6.055 7.187 ( -3.951 -0.311 4.577) 6.055 7.457 ( -2.608 -1.174 -3.666) 4.650 7.457 ( -2.608 -1.174 3.666) 4.650 9.042 ( -9.173 5.279 -11.078) 15.321 9.042 ( -9.173 5.279 11.078) 15.321 9.493 ( -3.726 0.432 -9.090) 9.833 9.493 ( -3.726 0.432 9.090) 9.833 10.828 ( 6.298 3.684 -5.491) 9.132 10.828 ( 6.298 3.684 5.491) 9.132 18.851 ( 4.360 0.217 -3.581) 5.646 18.851 ( 4.360 0.217 3.581) 5.646 19.585 ( -4.083 1.129 -2.076) 4.718 19.585 ( -4.083 1.129 2.076) 4.718 39.454 ( -0.654 0.468 -0.203) 0.829 39.454 ( -0.654 0.468 0.203) 0.829 62.487 ( -5.477 -9.730 -8.639) 14.118 62.487 ( -5.477 -9.730 8.639) 14.118 ======================= Grid point 645 (182/228) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 1.556 -7.873 -7.311) 10.856 1.861 ( 1.556 -7.873 7.311) 10.856 2.809 ( 16.152 -1.143 -6.133) 17.315 2.809 ( 16.152 -1.143 6.133) 17.315 4.616 ( 14.806 -1.838 -8.906) 17.376 4.616 ( 14.806 -1.838 8.906) 17.376 5.393 ( 6.870 -5.693 -5.449) 10.454 5.393 ( 6.870 -5.693 5.449) 10.454 5.744 ( 4.118 -0.317 -5.509) 6.885 5.744 ( 4.118 -0.317 5.509) 6.885 6.311 ( -9.418 -0.017 -3.581) 10.075 6.311 ( -9.418 -0.017 3.581) 10.075 7.102 ( -5.506 -2.304 -7.545) 9.620 7.102 ( -5.506 -2.304 7.545) 9.620 7.441 ( -0.907 -2.288 -4.733) 5.335 7.441 ( -0.907 -2.288 4.733) 5.335 8.790 ( -11.309 7.478 -11.340) 17.675 8.790 ( -11.309 7.478 11.340) 17.675 9.409 ( -4.438 0.685 -10.209) 11.153 9.409 ( -4.438 0.685 10.209) 11.153 10.919 ( 6.639 5.361 -9.327) 12.641 10.919 ( 6.639 5.361 9.327) 12.641 18.923 ( 3.629 0.467 -3.895) 5.344 18.923 ( 3.629 0.467 3.895) 5.344 19.501 ( -3.673 1.264 -2.240) 4.484 19.501 ( -3.673 1.264 2.240) 4.484 39.436 ( -0.630 1.023 -0.073) 1.204 39.436 ( -0.630 1.023 0.073) 1.204 62.508 ( -2.866 -13.459 -9.683) 16.826 62.508 ( -2.866 -13.459 9.683) 16.826 ======================= Grid point 647 (183/228) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 3.351 -6.197 -7.919) 10.599 1.967 ( 3.351 -6.197 7.919) 10.599 3.085 ( 12.155 0.245 -6.771) 13.916 3.085 ( 12.155 0.245 6.771) 13.916 4.830 ( 6.636 -4.018 -3.783) 8.631 4.830 ( 6.636 -4.018 3.783) 8.631 5.512 ( 2.684 0.067 -4.691) 5.405 5.512 ( 2.684 0.067 4.691) 5.405 5.851 ( 4.849 -0.147 -7.391) 8.841 5.851 ( 4.849 -0.147 7.391) 8.841 6.185 ( -2.392 -0.904 -6.811) 7.275 6.185 ( -2.392 -0.904 6.811) 7.275 7.043 ( -3.773 -4.888 -7.169) 9.462 7.043 ( -3.773 -4.888 7.169) 9.462 7.450 ( -0.415 -2.619 -2.191) 3.440 7.450 ( -0.415 -2.619 2.191) 3.440 8.531 ( -10.189 5.297 -10.079) 15.280 8.531 ( -10.189 5.297 10.079) 15.280 9.327 ( -3.463 0.562 -10.551) 11.118 9.327 ( -3.463 0.562 10.551) 11.118 10.968 ( 3.652 6.641 -11.853) 14.069 10.968 ( 3.652 6.641 11.853) 14.069 18.978 ( 2.697 0.583 -3.785) 4.684 18.978 ( 2.697 0.583 3.785) 4.684 19.431 ( -2.877 0.880 -2.257) 3.761 19.431 ( -2.877 0.880 2.257) 3.761 39.416 ( -0.491 1.237 -0.267) 1.357 39.416 ( -0.491 1.237 0.267) 1.357 62.591 ( 0.106 -12.420 -9.998) 15.945 62.591 ( 0.106 -12.420 9.998) 15.945 ======================= Grid point 649 (184/228) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.194 -2.443 -8.114) 9.939 2.083 ( 5.194 -2.443 8.114) 9.939 3.238 ( 5.162 1.800 -5.901) 8.044 3.238 ( 5.162 1.800 5.901) 8.044 4.967 ( 4.550 -5.018 -6.321) 9.265 4.967 ( 4.550 -5.018 6.321) 9.265 5.500 ( -2.241 2.173 -4.672) 5.619 5.500 ( -2.241 2.173 4.672) 5.619 5.865 ( 0.103 4.330 -6.979) 8.213 5.865 ( 0.103 4.330 6.979) 8.213 6.257 ( 5.162 -3.878 -6.555) 9.201 6.257 ( 5.162 -3.878 6.555) 9.201 7.035 ( -1.718 -4.816 -5.951) 7.846 7.035 ( -1.718 -4.816 5.951) 7.846 7.467 ( 0.099 -2.377 -1.067) 2.607 7.467 ( 0.099 -2.377 1.067) 2.607 8.341 ( -6.924 1.424 -6.979) 9.934 8.341 ( -6.924 1.424 6.979) 9.934 9.279 ( -1.581 -0.533 -9.254) 9.403 9.279 ( -1.581 -0.533 9.254) 9.403 10.945 ( 0.090 6.789 -13.090) 14.746 10.945 ( 0.090 6.789 13.090) 14.746 19.013 ( 1.522 0.584 -3.495) 3.857 19.013 ( 1.522 0.584 3.495) 3.857 19.382 ( -1.821 0.328 -2.251) 2.914 19.382 ( -1.821 0.328 2.251) 2.914 39.398 ( -0.357 1.056 -0.358) 1.171 39.398 ( -0.357 1.056 0.358) 1.171 62.708 ( 3.167 -8.102 -10.511) 13.644 62.708 ( 3.167 -8.102 10.511) 13.644 ======================= Grid point 651 (185/228) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 6.449 2.722 -8.074) 10.686 2.193 ( 6.449 2.722 8.074) 10.686 3.266 ( 0.159 1.854 -4.541) 4.907 3.266 ( 0.158 1.854 4.541) 4.908 5.068 ( 1.218 -3.644 -8.050) 8.920 5.068 ( 1.218 -3.644 8.050) 8.920 5.434 ( -2.041 0.954 -5.439) 5.888 5.434 ( -2.041 0.954 5.439) 5.888 5.841 ( 2.312 5.598 -5.367) 8.092 5.841 ( 2.312 5.598 5.367) 8.092 6.348 ( 0.189 -3.452 -6.100) 7.012 6.348 ( 0.189 -3.452 6.100) 7.012 7.046 ( -0.685 -2.923 -4.189) 5.154 7.046 ( -0.685 -2.923 4.189) 5.154 7.492 ( 0.544 -1.759 -3.557) 4.005 7.492 ( 0.544 -1.759 3.557) 4.005 8.257 ( -2.002 -1.554 -3.732) 4.511 8.257 ( -2.002 -1.554 3.732) 4.511 9.273 ( -0.156 -1.330 -5.717) 5.872 9.273 ( -0.156 -1.330 5.718) 5.872 10.874 ( -2.280 4.537 -12.980) 13.938 10.874 ( -2.280 4.537 12.980) 13.938 19.023 ( 0.052 0.496 -3.141) 3.180 19.023 ( 0.052 0.496 3.141) 3.180 19.359 ( -0.564 -0.218 -2.281) 2.360 19.359 ( -0.564 -0.218 2.281) 2.360 39.386 ( -0.284 0.608 -0.390) 0.776 39.386 ( -0.284 0.608 0.390) 0.776 62.836 ( 6.104 -1.693 -11.636) 13.248 62.836 ( 6.104 -1.693 11.636) 13.248 ======================= Grid point 653 (186/228) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 6.737 8.433 -8.817) 13.937 2.271 ( 6.737 8.433 8.817) 13.937 3.230 ( -2.599 1.525 -5.797) 6.534 3.230 ( -2.599 1.525 5.797) 6.534 5.035 ( -6.868 -2.075 -7.134) 10.118 5.035 ( -6.868 -2.075 7.134) 10.118 5.449 ( 3.818 0.302 -3.353) 5.090 5.449 ( 3.818 0.302 3.353) 5.090 5.859 ( 3.448 4.066 -4.964) 7.285 5.859 ( 3.448 4.066 4.964) 7.285 6.315 ( -5.033 -1.156 -7.289) 8.932 6.315 ( -5.033 -1.156 7.289) 8.932 7.059 ( -0.052 -2.015 -2.478) 3.194 7.059 ( -0.052 -2.015 2.478) 3.194 7.514 ( 0.731 -1.086 -6.211) 6.347 7.514 ( 0.731 -1.086 6.211) 6.347 8.287 ( 2.886 -2.679 -5.618) 6.861 8.287 ( 2.886 -2.679 5.618) 6.861 9.284 ( 0.200 -0.810 -2.909) 3.027 9.284 ( 0.200 -0.810 2.909) 3.027 10.800 ( -3.516 -0.062 -12.603) 13.085 10.800 ( -3.516 -0.062 12.603) 13.085 19.007 ( -1.442 0.320 -2.844) 3.204 19.007 ( -1.442 0.320 2.844) 3.204 19.364 ( 0.633 -0.730 -2.429) 2.614 19.364 ( 0.633 -0.730 2.429) 2.614 39.378 ( -0.180 0.015 -0.427) 0.464 39.378 ( -0.180 0.015 0.427) 0.464 62.958 ( 8.770 5.806 -13.506) 17.118 62.958 ( 8.770 5.806 13.506) 17.118 ======================= Grid point 655 (187/228) ======================= q-point: (-0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 7.007 13.205 -9.657) 17.797 2.309 ( 7.007 13.205 9.657) 17.797 3.126 ( -6.984 3.302 -8.103) 11.196 3.126 ( -6.984 3.302 8.103) 11.196 4.882 ( -11.202 -2.556 -3.755) 12.088 4.882 ( -11.202 -2.556 3.755) 12.088 5.529 ( 4.707 1.527 -2.318) 5.464 5.529 ( 4.707 1.527 2.318) 5.464 5.867 ( -1.466 1.966 -5.437) 5.965 5.867 ( -1.466 1.966 5.437) 5.965 6.246 ( 0.333 1.412 -11.226) 11.320 6.246 ( 0.333 1.412 11.226) 11.320 7.076 ( 0.146 -1.841 -1.786) 2.569 7.076 ( 0.146 -1.841 1.786) 2.569 7.544 ( 1.919 -0.502 -8.031) 8.273 7.544 ( 1.919 -0.502 8.031) 8.273 8.384 ( 4.500 -2.812 -9.870) 11.206 8.384 ( 4.500 -2.812 9.870) 11.206 9.300 ( 1.131 -1.031 -6.949) 7.116 9.300 ( 1.131 -1.031 6.949) 7.116 10.741 ( -5.144 -4.605 -12.992) 14.713 10.741 ( -5.144 -4.605 12.992) 14.713 18.966 ( -2.629 0.097 -2.660) 3.741 18.966 ( -2.629 0.097 2.660) 3.741 19.393 ( 1.525 -1.305 -2.738) 3.395 19.393 ( 1.525 -1.305 2.738) 3.395 39.380 ( 0.107 -0.617 -0.488) 0.794 39.380 ( 0.107 -0.617 0.488) 0.794 63.064 ( 11.065 13.508 -16.131) 23.772 63.064 ( 11.065 13.508 16.131) 23.772 ======================= Grid point 657 (188/228) ======================= q-point: (-0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 6.827 16.935 -8.865) 20.297 2.315 ( 6.827 16.935 8.865) 20.297 2.910 ( -11.786 5.917 -9.208) 16.085 2.910 ( -11.786 5.917 9.208) 16.085 4.647 ( -16.476 -1.829 -5.905) 17.598 4.647 ( -16.476 -1.829 5.905) 17.598 5.584 ( 3.163 3.221 -3.500) 5.712 5.584 ( 3.163 3.221 3.500) 5.712 5.769 ( -5.462 2.244 -4.750) 7.578 5.769 ( -5.462 2.244 4.750) 7.578 6.342 ( 10.084 1.603 -9.437) 13.904 6.342 ( 10.084 1.603 9.437) 13.904 7.095 ( 0.319 -2.112 -2.989) 3.674 7.095 ( 0.319 -2.112 2.989) 3.674 7.590 ( 3.181 1.872 -9.074) 9.797 7.590 ( 3.181 1.872 9.075) 9.797 8.497 ( 4.143 -5.912 -13.376) 15.200 8.497 ( 4.143 -5.912 13.376) 15.200 9.352 ( 2.617 -2.726 -9.663) 10.376 9.352 ( 2.617 -2.726 9.663) 10.376 10.673 ( -7.532 -7.085 -13.289) 16.838 10.673 ( -7.532 -7.085 13.289) 16.838 18.909 ( -3.451 -0.084 -2.510) 4.268 18.909 ( -3.451 -0.084 2.510) 4.268 19.441 ( 2.118 -2.048 -3.195) 4.346 19.441 ( 2.118 -2.048 3.195) 4.346 39.394 ( 0.602 -1.134 -0.571) 1.405 39.394 ( 0.602 -1.134 0.571) 1.405 63.147 ( 12.826 20.652 -19.440) 31.128 63.147 ( 12.826 20.652 19.440) 31.128 ======================= Grid point 659 (189/228) ======================= q-point: (-0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 4.786 19.354 -6.826) 21.073 2.276 ( 4.786 19.354 6.826) 21.073 2.621 ( -12.397 6.868 -6.515) 15.598 2.621 ( -12.397 6.868 6.515) 15.598 4.289 ( -21.704 1.550 -12.373) 25.031 4.289 ( -21.704 1.550 12.373) 25.031 5.577 ( 0.933 9.480 -5.211) 10.858 5.577 ( 0.933 9.480 5.211) 10.858 5.688 ( -1.435 -0.584 -4.797) 5.041 5.688 ( -1.435 -0.584 4.797) 5.041 6.536 ( 10.885 1.912 -3.812) 11.690 6.536 ( 10.885 1.912 3.812) 11.690 7.132 ( 1.499 -3.196 -5.528) 6.558 7.132 ( 1.499 -3.196 5.528) 6.558 7.617 ( 2.920 5.744 -11.142) 12.871 7.617 ( 2.920 5.744 11.142) 12.871 8.657 ( 5.214 -12.738 -13.375) 19.192 8.657 ( 5.214 -12.738 13.375) 19.192 9.427 ( 1.857 -4.088 -10.000) 10.962 9.427 ( 1.857 -4.088 10.000) 10.962 10.580 ( -8.753 -8.143 -12.976) 17.644 10.580 ( -8.753 -8.143 12.976) 17.644 18.841 ( -3.921 -0.097 -2.235) 4.514 18.841 ( -3.921 -0.097 2.235) 4.514 19.504 ( 2.444 -2.980 -3.707) 5.347 19.504 ( 2.444 -2.980 3.707) 5.347 39.420 ( 1.095 -1.305 -0.704) 1.843 39.420 ( 1.095 -1.305 0.704) 1.843 63.200 ( 13.602 26.586 -23.156) 37.789 63.200 ( 13.602 26.586 23.156) 37.789 ======================= Grid point 661 (190/228) ======================= q-point: (-0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.778 15.999 -16.974) 23.339 2.177 ( 0.778 15.999 16.974) 23.339 2.371 ( -7.151 8.921 -6.085) 12.952 2.371 ( -7.151 8.921 6.085) 12.952 3.841 ( -21.998 5.946 -20.021) 30.333 3.841 ( -21.998 5.946 20.021) 30.333 5.483 ( 0.152 14.340 -2.359) 14.533 5.483 ( 0.152 14.340 2.359) 14.533 5.696 ( 0.622 -0.804 -2.098) 2.332 5.696 ( 0.622 -0.804 2.098) 2.332 6.688 ( 6.773 1.457 -2.298) 7.300 6.688 ( 6.773 1.457 2.298) 7.300 7.200 ( 2.810 -2.272 -8.264) 9.019 7.200 ( 2.810 -2.272 8.264) 9.019 7.611 ( 2.144 6.278 -13.779) 15.292 7.611 ( 2.144 6.278 13.779) 15.292 8.894 ( 6.812 -16.095 -10.202) 20.237 8.894 ( 6.812 -16.095 10.202) 20.237 9.465 ( -2.225 -4.889 -8.563) 10.108 9.465 ( -2.225 -4.889 8.563) 10.108 10.506 ( -6.261 -10.088 -11.507) 16.534 10.506 ( -6.261 -10.088 11.507) 16.534 18.767 ( -3.855 0.160 -1.630) 4.188 18.767 ( -3.855 0.160 1.630) 4.188 19.579 ( 2.392 -3.976 -4.029) 6.145 19.579 ( 2.392 -3.976 4.029) 6.145 39.452 ( 1.214 -0.956 -0.842) 1.760 39.452 ( 1.214 -0.956 0.842) 1.760 63.210 ( 12.351 30.552 -26.332) 42.183 63.210 ( 12.351 30.552 26.332) 42.183 ======================= Grid point 663 (191/228) ======================= q-point: (-0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.356 8.132 -24.240) 25.570 2.082 ( 0.356 8.132 24.240) 25.570 2.193 ( -3.217 11.822 -16.482) 20.537 2.193 ( -3.217 11.822 16.482) 20.537 3.423 ( -14.816 8.538 -29.664) 34.240 3.423 ( -14.816 8.538 29.664) 34.240 5.354 ( 0.189 17.513 -1.654) 17.592 5.354 ( 0.189 17.513 1.654) 17.592 5.706 ( 0.016 0.146 -3.575) 3.578 5.706 ( 0.016 0.146 3.575) 3.578 6.774 ( 3.175 -0.434 -3.902) 5.049 6.774 ( 3.175 -0.434 3.902) 5.049 7.247 ( 1.443 1.328 -9.639) 9.837 7.247 ( 1.443 1.328 9.639) 9.837 7.606 ( 1.612 3.209 -14.115) 14.564 7.606 ( 1.612 3.209 14.115) 14.564 9.146 ( 7.012 -12.058 -7.104) 15.654 9.146 ( 7.012 -12.058 7.104) 15.654 9.423 ( -6.379 -5.374 -6.838) 10.786 9.423 ( -6.379 -5.374 6.838) 10.786 10.534 ( -1.485 -14.008 -7.691) 16.049 10.534 ( -1.485 -14.008 7.691) 16.049 18.701 ( -2.693 0.547 -0.661) 2.826 18.701 ( -2.693 0.547 0.661) 2.826 19.654 ( 1.672 -4.603 -3.814) 6.208 19.654 ( 1.672 -4.603 3.814) 6.208 39.476 ( 0.738 -0.243 -0.800) 1.115 39.476 ( 0.738 -0.243 0.800) 1.115 63.145 ( 7.644 31.172 -26.540) 41.647 63.145 ( 7.644 31.172 26.540) 41.647 ======================= Grid point 665 (192/228) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.000 2.998 -25.246) 25.423 2.052 ( -0.000 2.998 25.246) 25.423 2.056 ( -0.000 11.747 -22.792) 25.642 2.056 ( -0.000 11.747 22.792) 25.642 3.211 ( -0.000 6.468 -37.159) 37.718 3.211 ( -0.000 6.468 37.159) 37.718 5.210 ( -0.000 16.760 -3.825) 17.191 5.210 ( -0.000 16.760 3.825) 17.191 5.701 ( -0.000 0.432 -4.842) 4.861 5.701 ( -0.000 0.432 4.842) 4.861 6.812 ( 0.000 -0.955 -4.866) 4.958 6.812 ( 0.000 -0.955 4.866) 4.958 7.241 ( -0.000 2.084 -10.692) 10.894 7.241 ( -0.000 2.084 10.692) 10.894 7.607 ( -0.000 1.249 -13.559) 13.616 7.607 ( -0.000 1.249 13.559) 13.616 9.328 ( 0.000 -4.478 -3.645) 5.774 9.328 ( 0.000 -4.478 3.645) 5.774 9.356 ( 0.000 -6.185 -9.150) 11.045 9.356 ( 0.000 -6.185 9.150) 11.045 10.650 ( 0.000 -14.606 -5.030) 15.447 10.650 ( 0.000 -14.606 5.030) 15.447 18.669 ( -0.000 0.577 -0.056) 0.580 18.669 ( -0.000 0.577 0.056) 0.580 19.708 ( 0.000 -4.079 -2.949) 5.033 19.708 ( 0.000 -4.079 2.949) 5.033 39.483 ( -0.000 0.219 -0.556) 0.598 39.483 ( -0.000 0.219 0.556) 0.598 62.978 ( -0.000 26.038 -20.516) 33.150 62.978 ( -0.000 26.038 20.516) 33.150 ======================= Grid point 671 (193/228) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 3.436 -0.000 -3.488) 4.896 1.796 ( 3.436 -0.000 3.488) 4.896 2.800 ( 16.796 -0.000 -3.682) 17.195 2.800 ( 16.796 -0.000 3.682) 17.195 4.599 ( 14.067 -0.000 -9.146) 16.779 4.599 ( 14.067 -0.000 9.146) 16.779 5.341 ( 9.833 -0.000 -5.710) 11.371 5.341 ( 9.833 -0.000 5.710) 11.371 5.741 ( 3.665 -0.000 -5.365) 6.497 5.741 ( 3.665 -0.000 5.365) 6.497 6.312 ( -9.064 0.000 -2.936) 9.527 6.312 ( -9.064 0.000 2.936) 9.527 7.077 ( -6.883 0.000 -7.908) 10.484 7.077 ( -6.883 0.000 7.908) 10.484 7.426 ( -0.433 0.000 -3.499) 3.526 7.426 ( -0.433 0.000 3.499) 3.526 8.855 ( -12.782 0.000 -10.819) 16.746 8.855 ( -12.782 0.000 10.819) 16.746 9.414 ( -4.489 0.000 -9.760) 10.743 9.414 ( -4.489 0.000 9.760) 10.743 10.965 ( 6.270 -0.000 -8.478) 10.545 10.965 ( 6.270 -0.000 8.478) 10.545 18.927 ( 3.646 -0.000 -4.183) 5.549 18.927 ( 3.646 -0.000 4.183) 5.549 19.512 ( -4.010 0.000 -1.654) 4.337 19.512 ( -4.010 0.000 1.654) 4.337 39.445 ( -0.609 0.000 -0.065) 0.612 39.445 ( -0.609 0.000 0.065) 0.612 62.392 ( -0.778 0.000 -7.239) 7.281 62.392 ( -0.778 0.000 7.239) 7.281 ======================= Grid point 673 (194/228) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 6.769 -1.755 -2.761) 7.518 1.903 ( 6.769 -1.755 2.761) 7.518 3.091 ( 13.534 0.274 -4.558) 14.284 3.091 ( 13.534 0.274 4.558) 14.284 4.775 ( 5.508 -1.993 -2.115) 6.228 4.775 ( 5.508 -1.993 2.115) 6.228 5.514 ( 6.200 0.072 -5.949) 8.593 5.514 ( 6.200 0.072 5.949) 8.593 5.842 ( 6.353 -0.561 -7.250) 9.656 5.842 ( 6.353 -0.561 7.250) 9.656 6.183 ( -3.562 0.251 -4.944) 6.099 6.183 ( -3.562 0.251 4.944) 6.099 6.966 ( -5.492 -3.067 -7.708) 9.949 6.966 ( -5.492 -3.067 7.708) 9.949 7.429 ( 0.457 -0.354 -1.788) 1.879 7.429 ( 0.457 -0.354 1.788) 1.879 8.596 ( -13.122 2.200 -9.269) 16.215 8.596 ( -13.122 2.200 9.269) 16.215 9.334 ( -3.904 0.195 -10.721) 11.411 9.334 ( -3.904 0.195 10.721) 11.411 11.047 ( 3.399 2.606 -10.945) 11.754 11.047 ( 3.399 2.606 10.945) 11.754 18.985 ( 2.703 0.274 -4.249) 5.043 18.985 ( 2.703 0.274 4.249) 5.043 19.441 ( -3.357 0.333 -1.578) 3.724 19.441 ( -3.357 0.333 1.578) 3.724 39.431 ( -0.597 0.538 -0.100) 0.809 39.431 ( -0.597 0.538 0.100) 0.809 62.443 ( 3.681 -4.877 -7.617) 9.765 62.443 ( 3.681 -4.877 7.617) 9.765 ======================= Grid point 675 (195/228) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 9.513 -0.128 -4.215) 10.406 2.065 ( 9.513 -0.128 4.215) 10.406 3.270 ( 6.217 1.746 -4.540) 7.893 3.270 ( 6.217 1.746 4.540) 7.893 4.888 ( 4.640 -3.966 -4.494) 7.580 4.888 ( 4.640 -3.966 4.494) 7.580 5.530 ( -2.826 1.437 -6.586) 7.310 5.530 ( -2.826 1.437 6.586) 7.310 5.940 ( 4.605 3.982 -9.033) 10.893 5.940 ( 4.605 3.982 9.033) 10.893 6.195 ( 2.723 -3.160 -5.886) 7.214 6.195 ( 2.723 -3.160 5.886) 7.214 6.938 ( -1.506 -5.681 -6.851) 9.027 6.938 ( -1.506 -5.681 6.851) 9.027 7.446 ( 1.013 -0.387 -1.561) 1.901 7.446 ( 1.013 -0.387 1.561) 1.901 8.360 ( -10.241 0.794 -6.801) 12.320 8.360 ( -10.241 0.794 6.801) 12.320 9.272 ( -2.549 -0.308 -10.725) 11.028 9.272 ( -2.549 -0.308 10.725) 11.028 11.044 ( -0.482 4.622 -12.329) 13.176 11.044 ( -0.482 4.622 12.329) 13.176 19.022 ( 1.551 0.496 -4.030) 4.347 19.022 ( 1.551 0.496 4.030) 4.347 19.386 ( -2.329 0.138 -1.719) 2.898 19.386 ( -2.329 0.138 1.719) 2.898 39.415 ( -0.573 0.810 -0.210) 1.015 39.415 ( -0.573 0.810 0.210) 1.015 62.594 ( 7.677 -5.220 -8.894) 12.856 62.594 ( 7.677 -5.220 8.894) 12.857 ======================= Grid point 677 (196/228) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 11.556 3.743 -4.506) 12.956 2.250 ( 11.556 3.743 4.506) 12.956 3.304 ( 0.157 2.533 -3.742) 4.521 3.304 ( 0.157 2.533 3.742) 4.521 5.000 ( 2.331 -4.085 -6.779) 8.251 5.000 ( 2.331 -4.085 6.779) 8.251 5.450 ( -2.845 0.932 -7.080) 7.687 5.450 ( -2.845 0.932 7.080) 7.687 5.954 ( 2.671 7.409 -5.542) 9.630 5.954 ( 2.671 7.409 5.542) 9.630 6.272 ( 0.221 -5.535 -4.366) 7.053 6.272 ( 0.221 -5.535 4.366) 7.053 6.980 ( 0.731 -4.438 -6.022) 7.516 6.980 ( 0.731 -4.438 6.022) 7.516 7.472 ( 1.214 -0.477 -4.421) 4.610 7.472 ( 1.214 -0.477 4.421) 4.610 8.221 ( -5.037 -2.581 -3.278) 6.540 8.221 ( -5.037 -2.581 3.278) 6.540 9.249 ( -0.731 -1.445 -8.928) 9.074 9.249 ( -0.731 -1.445 8.928) 9.074 10.961 ( -3.680 5.308 -12.109) 13.724 10.961 ( -3.680 5.308 12.109) 13.724 19.033 ( 0.086 0.639 -3.601) 3.659 19.033 ( 0.086 0.639 3.601) 3.659 19.354 ( -1.035 -0.290 -1.912) 2.194 19.354 ( -1.035 -0.290 1.912) 2.194 39.398 ( -0.546 0.764 -0.261) 0.975 39.398 ( -0.546 0.764 0.261) 0.975 62.802 ( 11.107 -2.123 -11.072) 15.826 62.802 ( 11.107 -2.123 11.072) 15.826 ======================= Grid point 679 (197/228) ======================= q-point: (-0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 11.711 9.024 -4.527) 15.462 2.418 ( 11.711 9.024 4.527) 15.462 3.264 ( -1.787 2.423 -5.352) 6.141 3.264 ( -1.787 2.423 5.352) 6.141 4.983 ( -7.750 -3.643 -6.401) 10.692 4.983 ( -7.750 -3.643 6.402) 10.692 5.461 ( 4.584 0.804 -4.836) 6.712 5.461 ( 4.584 0.804 4.836) 6.712 5.939 ( 1.312 4.935 -1.505) 5.323 5.939 ( 1.312 4.935 1.505) 5.323 6.277 ( -2.909 -2.958 -6.453) 7.671 6.277 ( -2.909 -2.958 6.453) 7.671 7.021 ( 0.705 -2.132 -4.904) 5.393 7.021 ( 0.705 -2.132 4.904) 5.393 7.494 ( 0.516 -0.943 -6.846) 6.930 7.494 ( 0.516 -0.943 6.846) 6.930 8.220 ( 1.088 -5.410 -3.454) 6.510 8.220 ( 1.088 -5.410 3.454) 6.510 9.261 ( 0.282 -1.808 -4.868) 5.200 9.261 ( 0.282 -1.808 4.868) 5.200 10.835 ( -5.499 3.728 -10.747) 12.635 10.835 ( -5.499 3.728 10.747) 12.635 19.015 ( -1.431 0.645 -3.039) 3.420 19.015 ( -1.431 0.645 3.039) 3.420 19.351 ( 0.198 -0.746 -2.139) 2.274 19.351 ( 0.198 -0.746 2.139) 2.274 39.383 ( -0.456 0.462 -0.309) 0.719 39.383 ( -0.456 0.462 0.309) 0.719 63.032 ( 13.840 3.230 -14.131) 20.042 63.032 ( 13.840 3.230 14.131) 20.042 ======================= Grid point 681 (198/228) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 10.232 13.401 -4.902) 17.558 2.530 ( 10.232 13.401 4.902) 17.558 3.194 ( -3.326 4.577 -8.488) 10.201 3.194 ( -3.326 4.577 8.488) 10.201 4.812 ( -13.559 -5.336 -3.159) 14.910 4.812 ( -13.559 -5.336 3.159) 14.910 5.553 ( 4.732 0.881 -2.961) 5.651 5.553 ( 4.732 0.881 2.961) 5.651 5.908 ( -1.824 2.775 -4.002) 5.201 5.908 ( -1.824 2.775 4.002) 5.201 6.260 ( 1.726 0.519 -12.359) 12.490 6.260 ( 1.726 0.519 12.359) 12.490 7.046 ( 0.585 -1.332 -3.730) 4.004 7.046 ( 0.585 -1.332 3.730) 4.004 7.515 ( 0.700 -2.226 -9.064) 9.360 7.515 ( 0.700 -2.226 9.064) 9.360 8.322 ( 4.027 -5.452 -7.391) 10.029 8.322 ( 4.027 -5.452 7.391) 10.029 9.281 ( 0.440 -1.369 -3.435) 3.724 9.281 ( 0.440 -1.369 3.435) 3.724 10.705 ( -6.503 0.241 -11.067) 12.838 10.705 ( -6.503 0.241 11.067) 12.838 18.972 ( -2.605 0.532 -2.514) 3.659 18.972 ( -2.605 0.532 2.514) 3.659 19.372 ( 1.041 -1.226 -2.495) 2.968 19.372 ( 1.041 -1.226 2.495) 2.968 39.375 ( -0.171 -0.032 -0.422) 0.457 39.375 ( -0.171 -0.032 0.422) 0.457 63.257 ( 15.786 9.719 -17.989) 25.832 63.257 ( 15.786 9.719 17.989) 25.832 ======================= Grid point 683 (199/228) ======================= q-point: (-0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 7.703 14.938 -2.994) 17.072 2.581 ( 7.703 14.938 2.994) 17.072 3.041 ( -6.876 9.985 -10.724) 16.186 3.041 ( -6.876 9.985 10.724) 16.186 4.578 ( -16.760 -6.498 -3.361) 18.288 4.578 ( -16.760 -6.498 3.361) 18.288 5.606 ( 1.411 -0.376 -3.126) 3.450 5.606 ( 1.411 -0.376 3.126) 3.450 5.827 ( -2.940 4.617 -3.030) 6.256 5.827 ( -2.940 4.617 3.030) 6.256 6.363 ( 9.259 0.686 -11.807) 15.020 6.363 ( 9.259 0.686 11.807) 15.020 7.069 ( 0.984 -0.741 -3.139) 3.372 7.069 ( 0.984 -0.741 3.139) 3.372 7.566 ( 2.241 -3.700 -10.305) 11.176 7.566 ( 2.241 -3.700 10.305) 11.176 8.429 ( 3.041 -3.751 -11.345) 12.330 8.429 ( 3.041 -3.751 11.345) 12.330 9.306 ( 0.706 -2.558 -7.688) 8.133 9.306 ( 0.706 -2.558 7.688) 8.133 10.587 ( -7.505 -2.999 -14.033) 16.194 10.587 ( -7.505 -2.999 14.033) 16.194 18.912 ( -3.341 0.403 -2.073) 3.953 18.912 ( -3.341 0.403 2.073) 3.953 19.409 ( 1.522 -1.839 -3.015) 3.845 19.409 ( 1.522 -1.839 3.015) 3.845 39.379 ( 0.374 -0.630 -0.647) 0.977 39.379 ( 0.374 -0.630 0.647) 0.977 63.455 ( 16.841 16.370 -22.577) 32.578 63.455 ( 16.841 16.370 22.577) 32.578 ======================= Grid point 685 (200/228) ======================= q-point: (-0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 2.162 13.843 -5.470) 15.040 2.561 ( 2.162 13.843 5.470) 15.040 2.790 ( -7.991 14.452 -12.494) 20.708 2.790 ( -7.991 14.452 12.494) 20.708 4.290 ( -17.887 -2.039 -8.522) 19.918 4.290 ( -17.887 -2.039 8.522) 19.918 5.632 ( 0.970 -1.560 -1.964) 2.689 5.632 ( 0.970 -1.560 1.964) 2.689 5.741 ( -1.263 6.301 -4.140) 7.644 5.741 ( -1.263 6.301 4.140) 7.644 6.552 ( 9.739 -0.515 -5.690) 11.291 6.552 ( 9.739 -0.515 5.690) 11.291 7.102 ( 2.751 0.212 -4.574) 5.342 7.102 ( 2.751 0.212 4.574) 5.342 7.648 ( 3.101 -2.487 -10.727) 11.440 7.648 ( 3.101 -2.487 10.727) 11.440 8.508 ( 2.421 -5.310 -13.842) 15.022 8.508 ( 2.421 -5.310 13.842) 15.022 9.345 ( -0.494 -5.483 -9.412) 10.904 9.345 ( -0.494 -5.483 9.412) 10.904 10.474 ( -7.824 -4.425 -17.067) 19.290 10.474 ( -7.824 -4.425 17.067) 19.290 18.843 ( -3.635 0.379 -1.632) 4.002 18.843 ( -3.635 0.379 1.632) 4.002 19.458 ( 1.733 -2.645 -3.658) 4.835 19.458 ( 1.733 -2.645 3.658) 4.835 39.400 ( 1.015 -1.149 -1.028) 1.846 39.400 ( 1.015 -1.149 1.028) 1.846 63.610 ( 16.685 22.449 -27.794) 39.432 63.610 ( 16.685 22.449 27.794) 39.432 ======================= Grid point 687 (201/228) ======================= q-point: (-0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -7.208 11.154 -20.233) 24.202 2.401 ( -7.208 11.154 20.233) 24.202 2.575 ( -1.974 14.979 -13.652) 20.363 2.575 ( -1.974 14.979 13.652) 20.363 3.955 ( -15.366 7.236 -14.508) 22.337 3.955 ( -15.366 7.236 14.508) 22.337 5.657 ( 0.673 3.875 -2.099) 4.458 5.657 ( 0.673 3.875 2.099) 4.458 5.686 ( 0.849 2.493 -6.552) 7.062 5.686 ( 0.849 2.493 6.552) 7.062 6.693 ( 4.168 -1.579 -3.343) 5.572 6.693 ( 4.168 -1.579 3.343) 5.572 7.182 ( 6.239 1.104 -8.083) 10.270 7.182 ( 6.239 1.104 8.083) 10.270 7.696 ( 1.592 2.307 -13.178) 13.473 7.696 ( 1.592 2.307 13.178) 13.473 8.646 ( 5.342 -12.124 -12.017) 17.886 8.646 ( 5.342 -12.124 12.017) 17.886 9.356 ( -4.808 -8.083 -8.228) 12.496 9.356 ( -4.808 -8.083 8.228) 12.496 10.380 ( -5.881 -4.963 -18.623) 20.150 10.380 ( -5.881 -4.963 18.623) 20.150 18.773 ( -3.370 0.569 -1.076) 3.583 18.773 ( -3.370 0.569 1.076) 3.583 19.515 ( 1.646 -3.622 -4.290) 5.850 19.515 ( 1.646 -3.622 4.290) 5.850 39.433 ( 1.345 -1.336 -1.507) 2.422 39.433 ( 1.345 -1.336 1.507) 2.422 63.698 ( 14.468 27.541 -33.184) 45.486 63.698 ( 14.468 27.541 33.184) 45.486 ======================= Grid point 689 (202/228) ======================= q-point: (-0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -4.143 7.715 -22.660) 24.293 2.205 ( -4.143 7.715 22.660) 24.293 2.420 ( -2.390 13.466 -16.307) 21.283 2.420 ( -2.390 13.466 16.307) 21.283 3.622 ( -9.488 15.318 -21.960) 28.406 3.622 ( -9.488 15.318 21.960) 28.406 5.598 ( 0.505 10.742 -1.335) 10.837 5.598 ( 0.505 10.742 1.335) 10.837 5.707 ( 0.817 -0.033 -4.061) 4.142 5.707 ( 0.817 -0.033 4.061) 4.142 6.751 ( 0.821 -2.794 -4.988) 5.776 6.751 ( 0.821 -2.794 4.988) 5.776 7.280 ( 5.015 3.193 -9.742) 11.413 7.280 ( 5.015 3.193 9.742) 11.413 7.678 ( 0.203 4.485 -16.651) 17.245 7.678 ( 0.203 4.485 16.651) 17.245 8.901 ( 8.637 -16.130 -8.011) 19.974 8.901 ( 8.637 -16.130 8.011) 19.974 9.296 ( -9.044 -9.702 -5.757) 14.459 9.296 ( -9.044 -9.702 5.757) 14.459 10.351 ( -2.445 -7.256 -17.443) 19.050 10.351 ( -2.445 -7.256 17.443) 19.050 18.713 ( -2.243 0.919 -0.402) 2.457 18.713 ( -2.243 0.919 0.402) 2.457 19.576 ( 1.125 -4.600 -4.670) 6.651 19.576 ( 1.125 -4.600 4.670) 6.651 39.466 ( 0.966 -1.041 -1.808) 2.299 39.466 ( 0.966 -1.041 1.808) 2.299 63.678 ( 8.877 31.477 -37.028) 49.404 63.678 ( 8.877 31.477 37.028) 49.404 ======================= Grid point 691 (203/228) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 5.248 -22.802) 23.398 2.121 ( -0.000 5.248 22.802) 23.398 2.281 ( -0.000 13.827 -20.512) 24.737 2.281 ( -0.000 13.827 20.512) 24.737 3.392 ( -0.000 15.742 -29.246) 33.213 3.392 ( -0.000 15.742 29.246) 33.213 5.497 ( -0.000 15.269 -1.195) 15.316 5.497 ( -0.000 15.269 1.195) 15.316 5.710 ( -0.000 0.610 -4.986) 5.023 5.710 ( -0.000 0.610 4.986) 5.023 6.783 ( 0.000 -2.812 -4.364) 5.191 6.783 ( 0.000 -2.812 4.364) 5.191 7.293 ( -0.000 4.313 -10.233) 11.105 7.293 ( -0.000 4.313 10.233) 11.105 7.647 ( -0.000 3.610 -16.536) 16.926 7.647 ( -0.000 3.610 16.536) 16.926 9.180 ( 0.000 -15.109 -8.287) 17.232 9.180 ( 0.000 -15.109 8.287) 17.232 9.220 ( 0.000 -8.504 -3.181) 9.080 9.220 ( 0.000 -8.504 3.181) 9.080 10.409 ( 0.000 -11.971 -13.333) 17.918 10.409 ( 0.000 -11.971 13.333) 17.918 18.682 ( -0.000 1.033 -0.042) 1.033 18.682 ( -0.000 1.033 0.042) 1.033 19.628 ( 0.000 -5.137 -4.528) 6.848 19.628 ( 0.000 -5.137 4.528) 6.848 39.481 ( 0.000 -0.480 -1.561) 1.634 39.481 ( 0.000 -0.480 1.561) 1.634 63.494 ( -0.000 33.578 -35.608) 48.943 63.494 ( -0.000 33.578 35.608) 48.943 ======================= Grid point 701 (204/228) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 11.042 -0.000 -2.569) 11.337 2.066 ( 11.042 -0.000 2.569) 11.337 3.286 ( 6.663 -0.000 -3.025) 7.318 3.286 ( 6.663 -0.000 3.025) 7.318 4.853 ( 4.764 -0.000 -3.442) 5.878 4.853 ( 4.764 -0.000 3.442) 5.878 5.543 ( -3.128 0.000 -6.765) 7.453 5.543 ( -3.128 0.000 6.765) 7.453 5.975 ( 8.028 -0.000 -9.825) 12.687 5.975 ( 8.028 -0.000 9.825) 12.687 6.168 ( 0.016 -0.000 -5.876) 5.876 6.168 ( 0.016 -0.000 5.876) 5.876 6.886 ( -1.033 0.000 -6.446) 6.529 6.886 ( -1.033 0.000 6.446) 6.529 7.445 ( 1.250 -0.000 -1.150) 1.698 7.445 ( 1.250 -0.000 1.150) 1.698 8.366 ( -11.737 0.000 -6.711) 13.520 8.366 ( -11.737 0.000 6.711) 13.520 9.269 ( -2.930 0.000 -11.153) 11.532 9.269 ( -2.930 0.000 11.153) 11.532 11.084 ( -0.624 0.000 -11.949) 11.965 11.084 ( -0.624 0.000 11.949) 11.965 19.027 ( 1.561 -0.000 -4.264) 4.540 19.027 ( 1.561 -0.000 4.264) 4.540 19.387 ( -2.531 0.000 -1.353) 2.870 19.387 ( -2.531 0.000 1.353) 2.870 39.422 ( -0.662 0.000 -0.135) 0.675 39.422 ( -0.662 0.000 0.135) 0.675 62.549 ( 9.385 -0.000 -8.221) 12.476 62.549 ( 9.385 -0.000 8.221) 12.476 ======================= Grid point 703 (205/228) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 14.309 1.787 -4.510) 15.109 2.299 ( 14.309 1.787 4.510) 15.109 3.338 ( 0.088 1.241 -1.530) 1.972 3.338 ( 0.088 1.241 1.530) 1.973 4.948 ( 3.173 -1.820 -5.881) 6.926 4.948 ( 3.173 -1.820 5.881) 6.926 5.462 ( -3.322 0.422 -7.007) 7.766 5.462 ( -3.322 0.422 7.007) 7.766 6.068 ( 1.637 6.064 -5.831) 8.571 6.068 ( 1.637 6.064 5.831) 8.571 6.177 ( 0.730 -5.543 -0.768) 5.643 6.177 ( 0.730 -5.543 0.769) 5.644 6.923 ( 3.191 -1.965 -5.482) 6.640 6.923 ( 3.191 -1.965 5.482) 6.640 7.471 ( 1.439 0.143 -3.961) 4.217 7.471 ( 1.439 0.143 3.961) 4.217 8.185 ( -7.626 -1.360 -3.596) 8.540 8.185 ( -7.626 -1.360 3.596) 8.540 9.231 ( -1.264 -0.582 -10.520) 10.611 9.231 ( -1.264 -0.582 10.520) 10.611 11.027 ( -4.247 2.256 -11.375) 12.350 11.027 ( -4.247 2.256 11.375) 12.350 19.041 ( 0.102 0.293 -3.988) 4.000 19.041 ( 0.102 0.293 3.988) 4.000 19.351 ( -1.311 -0.136 -1.521) 2.012 19.351 ( -1.311 -0.136 1.521) 2.012 39.407 ( -0.715 0.342 -0.145) 0.806 39.407 ( -0.715 0.342 0.145) 0.806 62.775 ( 13.958 -0.949 -10.614) 17.561 62.775 ( 13.958 -0.949 10.614) 17.561 ======================= Grid point 705 (206/228) ======================= q-point: (-0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 15.240 6.190 -5.470) 17.335 2.549 ( 15.240 6.190 5.471) 17.335 3.302 ( -1.776 1.851 -4.390) 5.084 3.302 ( -1.776 1.851 4.390) 5.084 4.929 ( -7.872 -2.527 -6.231) 10.353 4.929 ( -7.872 -2.527 6.231) 10.353 5.468 ( 3.981 0.040 -5.492) 6.783 5.468 ( 3.981 0.040 5.492) 6.783 5.999 ( -3.233 1.957 -6.677) 7.672 5.999 ( -3.233 1.957 6.677) 7.673 6.238 ( 1.494 -1.386 -7.405) 7.681 6.238 ( 1.494 -1.386 7.405) 7.681 7.000 ( 3.308 -0.413 -5.528) 6.455 7.000 ( 3.308 -0.413 5.528) 6.455 7.487 ( 0.175 -0.042 -5.827) 5.830 7.487 ( 0.175 -0.042 5.827) 5.830 8.126 ( -1.366 -5.177 -1.234) 5.495 8.126 ( -1.366 -5.177 1.234) 5.495 9.232 ( 0.348 -1.414 -7.907) 8.040 9.232 ( 0.348 -1.414 7.907) 8.040 10.899 ( -6.691 3.382 -8.805) 11.565 10.899 ( -6.691 3.382 8.805) 11.565 19.025 ( -1.450 0.517 -3.383) 3.717 19.025 ( -1.450 0.517 3.383) 3.717 19.341 ( -0.065 -0.494 -1.791) 1.859 19.341 ( -0.065 -0.494 1.791) 1.859 39.391 ( -0.681 0.422 -0.160) 0.817 39.391 ( -0.681 0.422 0.160) 0.817 63.068 ( 17.239 1.276 -14.318) 22.446 63.068 ( 17.238 1.276 14.318) 22.446 ======================= Grid point 707 (207/228) ======================= q-point: (-0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 12.075 11.282 -5.335) 17.365 2.737 ( 12.075 11.282 5.335) 17.365 3.262 ( -0.084 3.351 -8.338) 8.986 3.262 ( -0.084 3.351 8.338) 8.986 4.725 ( -16.081 -4.700 -4.148) 17.260 4.725 ( -16.081 -4.700 4.148) 17.260 5.546 ( 2.317 -1.604 -3.599) 4.571 5.546 ( 2.317 -1.604 3.599) 4.571 5.947 ( -0.787 1.769 -5.763) 6.079 5.947 ( -0.787 1.769 5.763) 6.079 6.271 ( 2.961 0.880 -11.787) 12.185 6.271 ( 2.961 0.880 11.787) 12.185 7.046 ( 2.340 1.479 -5.149) 5.846 7.046 ( 2.340 1.479 5.149) 5.846 7.486 ( -0.317 -1.169 -7.527) 7.624 7.486 ( -0.317 -1.169 7.527) 7.624 8.204 ( 2.985 -8.136 -4.401) 9.719 8.204 ( 2.985 -8.136 4.401) 9.719 9.257 ( 0.709 -1.416 -3.326) 3.684 9.257 ( 0.709 -1.416 3.326) 3.684 10.735 ( -7.796 2.761 -7.223) 10.980 10.735 ( -7.796 2.761 7.223) 10.980 18.982 ( -2.623 0.606 -2.635) 3.767 18.982 ( -2.623 0.606 2.635) 3.767 19.354 ( 0.753 -0.910 -2.155) 2.458 19.354 ( 0.753 -0.910 2.155) 2.458 39.377 ( -0.460 0.232 -0.285) 0.589 39.377 ( -0.460 0.232 0.285) 0.589 63.382 ( 19.122 5.555 -18.963) 27.498 63.382 ( 19.122 5.555 18.963) 27.498 ======================= Grid point 709 (208/228) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 5.447 12.175 -4.953) 14.228 2.803 ( 5.447 12.175 4.953) 14.228 3.219 ( 0.341 10.628 -11.020) 15.314 3.219 ( 0.341 10.628 11.021) 15.314 4.446 ( -18.794 -8.950 -1.453) 20.867 4.446 ( -18.794 -8.950 1.453) 20.867 5.575 ( -0.742 -3.188 -3.156) 4.547 5.575 ( -0.742 -3.188 3.156) 4.547 5.911 ( -0.547 5.262 -1.875) 5.613 5.911 ( -0.547 5.262 1.875) 5.613 6.365 ( 7.313 -0.268 -11.895) 13.966 6.365 ( 7.313 -0.268 11.895) 13.966 7.079 ( 3.306 2.160 -3.542) 5.305 7.079 ( 3.306 2.160 3.542) 5.305 7.507 ( 0.940 -2.799 -9.174) 9.638 7.507 ( 0.940 -2.799 9.174) 9.638 8.335 ( 3.042 -8.012 -7.482) 11.376 8.335 ( 3.042 -8.012 7.482) 11.376 9.273 ( -0.333 -1.418 -5.047) 5.253 9.273 ( -0.333 -1.418 5.047) 5.253 10.573 ( -7.759 0.959 -12.493) 14.737 10.573 ( -7.759 0.959 12.493) 14.737 18.921 ( -3.286 0.622 -1.936) 3.864 18.921 ( -3.286 0.622 1.936) 3.864 19.381 ( 1.149 -1.415 -2.673) 3.235 19.381 ( 1.149 -1.415 2.673) 3.235 39.372 ( 0.021 -0.222 -0.574) 0.616 39.372 ( 0.021 -0.222 0.574) 0.616 63.678 ( 19.556 10.720 -24.261) 32.953 63.678 ( 19.556 10.720 24.261) 32.953 ======================= Grid point 711 (209/228) ======================= q-point: (-0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -1.644 10.065 -8.708) 13.411 2.747 ( -1.644 10.065 8.708) 13.411 3.064 ( -4.667 17.096 -13.185) 22.088 3.064 ( -4.667 17.096 13.185) 22.088 4.209 ( -13.639 -7.879 -5.531) 16.695 4.209 ( -13.639 -7.879 5.531) 16.695 5.593 ( 0.280 -2.945 -2.403) 3.812 5.593 ( 0.280 -2.945 2.403) 3.812 5.844 ( -1.289 6.154 -3.758) 7.325 5.844 ( -1.289 6.154 3.758) 7.325 6.517 ( 6.339 -3.312 -4.890) 8.664 6.517 ( 6.339 -3.312 4.890) 8.664 7.143 ( 6.476 4.376 -2.394) 8.174 7.143 ( 6.476 4.376 2.394) 8.174 7.571 ( 2.419 -5.066 -9.877) 11.361 7.571 ( 2.419 -5.066 9.877) 11.361 8.434 ( 1.704 -5.590 -10.526) 12.039 8.434 ( 1.704 -5.590 10.526) 12.039 9.265 ( -2.874 -3.707 -8.982) 10.133 9.265 ( -2.874 -3.707 8.982) 10.133 10.436 ( -6.549 -0.327 -19.457) 20.533 10.436 ( -6.549 -0.327 19.457) 20.533 18.852 ( -3.437 0.669 -1.310) 3.739 18.852 ( -3.437 0.669 1.310) 3.739 19.419 ( 1.272 -2.065 -3.312) 4.105 19.419 ( 1.272 -2.065 3.312) 4.105 39.383 ( 0.659 -0.856 -1.064) 1.516 39.383 ( 0.659 -0.856 1.064) 1.516 63.925 ( 18.396 15.801 -29.998) 38.574 63.925 ( 18.396 15.801 29.998) 38.574 ======================= Grid point 713 (210/228) ======================= q-point: (-0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -7.898 10.223 -12.660) 18.088 2.572 ( -7.898 10.223 12.660) 18.088 2.814 ( -7.013 13.198 -9.849) 17.899 2.814 ( -7.013 13.198 9.849) 17.899 4.050 ( -6.408 3.342 -8.176) 10.912 4.050 ( -6.408 3.342 8.176) 10.912 5.636 ( 1.859 -2.353 -1.386) 3.304 5.636 ( 1.859 -2.353 1.386) 3.304 5.774 ( -0.984 5.119 -5.793) 7.793 5.774 ( -0.984 5.119 5.793) 7.793 6.628 ( 1.288 -5.907 -4.261) 7.396 6.628 ( 1.288 -5.907 4.261) 7.396 7.248 ( 9.375 6.513 -5.036) 12.477 7.248 ( 9.375 6.513 5.036) 12.477 7.663 ( 2.077 -5.210 -9.730) 11.231 7.663 ( 2.077 -5.210 9.730) 11.231 8.515 ( 3.337 -5.228 -11.851) 13.375 8.515 ( 3.337 -5.228 11.851) 13.375 9.219 ( -7.291 -7.683 -8.564) 13.621 9.219 ( -7.291 -7.683 8.564) 13.621 10.339 ( -4.115 -0.422 -23.603) 23.963 10.339 ( -4.115 -0.422 23.603) 23.963 18.785 ( -3.011 0.840 -0.725) 3.209 18.785 ( -3.011 0.840 0.725) 3.209 19.462 ( 1.160 -2.854 -3.988) 5.039 19.462 ( 1.160 -2.854 3.988) 5.039 39.410 ( 1.099 -1.445 -1.726) 2.506 39.410 ( 1.099 -1.445 1.726) 2.506 64.093 ( 15.162 20.271 -35.844) 43.882 64.093 ( 15.162 20.271 35.844) 43.882 ======================= Grid point 715 (211/228) ======================= q-point: (-0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -6.786 8.493 -16.494) 19.755 2.340 ( -6.786 8.493 16.494) 19.755 2.610 ( -4.824 9.777 -14.160) 17.871 2.610 ( -4.824 9.777 14.160) 17.871 3.889 ( -2.819 15.374 -12.357) 19.925 3.889 ( -2.819 15.374 12.357) 19.925 5.685 ( 1.600 -0.082 -0.742) 1.766 5.685 ( 1.600 -0.082 0.742) 1.766 5.727 ( -0.214 3.365 -5.996) 6.879 5.727 ( -0.214 3.365 5.996) 6.879 6.675 ( -1.011 -6.342 -7.784) 10.092 6.675 ( -1.011 -6.342 7.784) 10.092 7.362 ( 7.672 6.697 -7.985) 12.941 7.362 ( 7.672 6.697 7.985) 12.941 7.707 ( -0.480 -1.789 -13.436) 13.563 7.707 ( -0.480 -1.789 13.436) 13.563 8.680 ( 8.162 -9.471 -9.235) 15.544 8.680 ( 8.162 -9.471 9.235) 15.544 9.122 ( -10.941 -10.819 -5.233) 16.253 9.122 ( -10.941 -10.819 5.233) 16.253 10.290 ( -1.651 -0.778 -23.990) 24.059 10.290 ( -1.651 -0.778 23.990) 24.059 18.730 ( -1.884 1.125 -0.209) 2.204 18.730 ( -1.884 1.125 0.209) 2.204 19.507 ( 0.761 -3.698 -4.562) 5.922 19.507 ( 0.761 -3.698 4.562) 5.922 39.443 ( 0.905 -1.693 -2.327) 3.017 39.443 ( 0.905 -1.693 2.327) 3.017 64.140 ( 9.039 24.251 -40.745) 48.270 64.140 ( 9.039 24.251 40.745) 48.270 ======================= Grid point 717 (212/228) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -0.000 6.308 -19.322) 20.326 2.218 ( -0.000 6.308 19.322) 20.326 2.480 ( -0.000 10.300 -19.592) 22.134 2.480 ( -0.000 10.300 19.592) 22.134 3.705 ( -0.000 20.636 -17.971) 27.364 3.705 ( -0.000 20.636 17.971) 27.364 5.669 ( -0.000 5.859 -2.700) 6.452 5.669 ( -0.000 5.859 2.700) 6.452 5.719 ( -0.000 0.466 -5.087) 5.109 5.719 ( -0.000 0.466 5.087) 5.109 6.714 ( 0.000 -5.683 -7.596) 9.487 6.714 ( 0.000 -5.683 7.596) 9.487 7.383 ( -0.000 6.689 -9.390) 11.529 7.383 ( -0.000 6.689 9.390) 11.529 7.699 ( -0.000 1.317 -17.615) 17.665 7.699 ( -0.000 1.317 17.615) 17.665 8.917 ( 0.000 -14.117 -8.167) 16.309 8.917 ( 0.000 -14.117 8.167) 16.309 9.052 ( 0.000 -11.710 -2.429) 11.959 9.052 ( 0.000 -11.710 2.429) 11.959 10.290 ( 0.000 -3.004 -21.782) 21.988 10.290 ( 0.000 -3.004 21.782) 21.988 18.701 ( -0.000 1.274 -0.073) 1.276 18.701 ( -0.000 1.274 0.073) 1.276 19.548 ( 0.000 -4.398 -4.846) 6.544 19.548 ( 0.000 -4.398 4.846) 6.544 39.465 ( 0.000 -1.461 -2.439) 2.843 39.465 ( 0.000 -1.461 2.439) 2.843 64.012 ( -0.000 28.247 -42.149) 50.738 64.012 ( -0.000 28.247 42.149) 50.738 ======================= Grid point 731 (213/228) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 16.613 -0.000 -7.463) 18.212 2.603 ( 16.613 -0.000 7.463) 18.212 3.318 ( -1.994 0.000 -3.655) 4.164 3.318 ( -1.993 0.000 3.655) 4.164 4.907 ( -7.787 0.000 -6.315) 10.026 4.907 ( -7.786 0.000 6.315) 10.025 5.467 ( 3.353 -0.000 -5.517) 6.456 5.467 ( 3.353 -0.000 5.517) 6.456 6.011 ( -5.605 0.000 -11.340) 12.650 6.011 ( -5.605 0.000 11.341) 12.650 6.229 ( 3.933 -0.000 -9.652) 10.422 6.229 ( 3.933 -0.000 9.652) 10.422 6.999 ( 4.963 -0.000 -4.859) 6.946 6.999 ( 4.963 -0.000 4.859) 6.946 7.487 ( -0.099 0.000 -5.230) 5.231 7.487 ( -0.099 0.000 5.230) 5.231 8.078 ( -2.642 0.000 -0.290) 2.658 8.078 ( -2.642 0.000 0.291) 2.658 9.220 ( 0.348 -0.000 -8.992) 8.998 9.220 ( 0.348 -0.000 8.992) 8.998 10.929 ( -7.064 0.000 -7.955) 10.639 10.929 ( -7.064 0.000 7.955) 10.639 19.030 ( -1.464 0.000 -3.554) 3.844 19.030 ( -1.464 0.000 3.554) 3.844 19.337 ( -0.150 0.000 -1.626) 1.632 19.337 ( -0.150 0.000 1.626) 1.632 39.395 ( -0.771 0.000 -0.055) 0.773 39.395 ( -0.771 0.000 0.055) 0.773 63.078 ( 18.439 -0.000 -14.341) 23.359 63.078 ( 18.439 -0.000 14.341) 23.359 ======================= Grid point 733 (214/228) ======================= q-point: (-0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 13.567 4.909 -9.878) 17.486 2.878 ( 13.567 4.909 9.878) 17.486 3.297 ( 1.087 0.865 -7.543) 7.670 3.297 ( 1.087 0.865 7.543) 7.670 4.670 ( -17.790 -1.827 -5.831) 18.810 4.670 ( -17.790 -1.827 5.831) 18.810 5.517 ( 0.115 -1.351 -4.040) 4.261 5.517 ( 0.115 -1.351 4.040) 4.261 5.965 ( 1.203 0.481 -8.670) 8.766 5.965 ( 1.203 0.481 8.670) 8.766 6.285 ( 2.910 0.569 -10.196) 10.618 6.285 ( 2.910 0.569 10.196) 10.618 7.081 ( 4.252 1.888 -5.439) 7.157 7.081 ( 4.252 1.888 5.439) 7.157 7.473 ( -0.938 -0.472 -5.699) 5.795 7.473 ( -0.938 -0.472 5.699) 5.795 8.091 ( 1.701 -4.300 -2.479) 5.247 8.091 ( 1.701 -4.300 2.479) 5.247 9.239 ( 1.127 -0.613 -5.206) 5.361 9.239 ( 1.127 -0.613 5.206) 5.361 10.774 ( -8.532 1.460 -2.782) 9.092 10.774 ( -8.532 1.460 2.782) 9.092 18.989 ( -2.657 0.264 -2.798) 3.867 18.989 ( -2.657 0.264 2.798) 3.867 19.343 ( 0.631 -0.342 -1.910) 2.040 19.343 ( 0.631 -0.342 1.910) 2.040 39.380 ( -0.650 0.130 -0.123) 0.674 39.380 ( -0.650 0.130 0.123) 0.674 63.442 ( 20.852 1.772 -19.348) 28.501 63.442 ( 20.852 1.772 19.348) 28.501 ======================= Grid point 735 (215/228) ======================= q-point: (-0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 3.509 8.655 -9.999) 13.682 2.979 ( 3.509 8.655 9.999) 13.682 3.359 ( 6.758 5.741 -9.959) 13.335 3.359 ( 6.758 5.741 9.959) 13.335 4.311 ( -22.643 -6.544 -3.064) 23.768 4.311 ( -22.643 -6.544 3.064) 23.768 5.515 ( -1.309 -3.401 -3.232) 4.871 5.515 ( -1.309 -3.401 3.232) 4.871 5.986 ( 1.100 3.432 -1.416) 3.872 5.986 ( 1.100 3.432 1.416) 3.872 6.359 ( 5.272 -0.367 -10.303) 11.579 6.359 ( 5.272 -0.367 10.303) 11.579 7.133 ( 4.638 3.745 -4.282) 7.339 7.133 ( 4.638 3.745 4.282) 7.339 7.480 ( 1.252 -0.597 -6.585) 6.730 7.480 ( 1.252 -0.597 6.585) 6.730 8.188 ( 2.365 -8.472 -4.183) 9.740 8.188 ( 2.365 -8.472 4.183) 9.740 9.257 ( -0.221 -0.635 -2.303) 2.399 9.257 ( -0.221 -0.635 2.303) 2.399 10.601 ( -8.255 1.809 -9.800) 12.941 10.601 ( -8.255 1.809 9.800) 12.941 18.930 ( -3.286 0.449 -1.969) 3.857 18.930 ( -3.286 0.449 1.969) 3.857 19.363 ( 0.961 -0.783 -2.371) 2.675 19.363 ( 0.961 -0.783 2.371) 2.675 39.370 ( -0.302 -0.031 -0.402) 0.504 39.370 ( -0.302 -0.031 0.402) 0.504 63.809 ( 21.121 5.180 -25.011) 33.143 63.809 ( 21.121 5.180 25.011) 33.143 ======================= Grid point 737 (216/228) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -2.150 9.549 -9.841) 13.879 2.910 ( -2.150 9.549 9.841) 13.879 3.317 ( -5.990 13.040 -10.147) 17.575 3.317 ( -5.990 13.040 10.147) 17.575 4.045 ( -10.856 -11.272 -5.826) 16.699 4.045 ( -10.856 -11.272 5.826) 16.699 5.539 ( 0.857 -3.350 -2.122) 4.058 5.539 ( 0.857 -3.350 2.122) 4.058 5.942 ( -1.463 5.423 -3.110) 6.421 5.942 ( -1.463 5.423 3.110) 6.421 6.459 ( 3.147 -3.213 -2.954) 5.380 6.459 ( 3.147 -3.213 2.954) 5.380 7.224 ( 9.025 4.689 -1.891) 10.345 7.224 ( 9.025 4.689 1.891) 10.345 7.522 ( 2.758 -0.271 -8.003) 8.470 7.522 ( 2.758 -0.271 8.003) 8.470 8.302 ( 1.474 -9.951 -5.984) 11.705 8.302 ( 1.474 -9.951 5.984) 11.705 9.227 ( -3.979 -1.162 -7.860) 8.886 9.227 ( -3.979 -1.162 7.860) 8.886 10.451 ( -6.059 1.622 -20.074) 21.031 10.451 ( -6.059 1.622 20.074) 21.031 18.863 ( -3.348 0.608 -1.203) 3.609 18.863 ( -3.348 0.608 1.203) 3.609 19.390 ( 1.011 -1.332 -2.948) 3.390 19.390 ( 1.011 -1.332 2.948) 3.390 39.372 ( 0.216 -0.519 -0.862) 1.029 39.372 ( 0.216 -0.519 0.862) 1.029 64.130 ( 19.264 9.101 -30.840) 37.484 64.130 ( 19.264 9.101 30.840) 37.484 ======================= Grid point 739 (217/228) ======================= q-point: (-0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -7.462 10.529 -7.743) 15.050 2.743 ( -7.462 10.529 7.743) 15.050 2.996 ( -13.905 8.715 -6.528) 17.661 2.996 ( -13.905 8.715 6.528) 17.661 4.047 ( 1.334 -3.456 -7.279) 8.167 4.047 ( 1.334 -3.456 7.279) 8.167 5.597 ( 2.723 -2.277 -1.677) 3.926 5.597 ( 2.723 -2.277 1.677) 3.926 5.860 ( -2.125 5.428 -5.087) 7.737 5.860 ( -2.125 5.428 5.087) 7.737 6.520 ( -0.739 -6.570 -5.457) 8.573 6.520 ( -0.739 -6.570 5.457) 8.573 7.370 ( 10.905 7.164 -2.662) 13.317 7.370 ( 10.905 7.164 2.662) 13.317 7.587 ( 3.087 -2.035 -8.247) 9.038 7.587 ( 3.087 -2.035 8.247) 9.038 8.410 ( 2.352 -8.711 -7.714) 11.871 8.410 ( 2.352 -8.711 7.714) 11.871 9.126 ( -8.783 -3.484 -9.492) 13.393 9.126 ( -8.783 -3.484 9.492) 13.393 10.353 ( -2.992 1.730 -26.757) 26.979 10.353 ( -2.992 1.730 26.757) 26.979 18.799 ( -2.815 0.809 -0.553) 2.981 18.799 ( -2.815 0.809 0.553) 2.981 19.422 ( 0.874 -1.986 -3.555) 4.165 19.422 ( 0.874 -1.986 3.555) 4.165 39.387 ( 0.656 -1.218 -1.512) 2.049 39.387 ( 0.656 -1.218 1.512) 2.049 64.364 ( 15.209 12.782 -36.401) 41.470 64.364 ( 15.209 12.782 36.401) 41.470 ======================= Grid point 741 (218/228) ======================= q-point: (-0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -10.036 7.929 -10.999) 16.869 2.477 ( -10.036 7.929 10.999) 16.869 2.754 ( -5.432 8.036 -12.370) 15.719 2.754 ( -5.432 8.036 12.370) 15.719 4.075 ( 1.963 6.269 -6.140) 8.992 4.075 ( 1.963 6.269 6.140) 8.992 5.670 ( 3.314 -1.043 -1.691) 3.864 5.670 ( 3.314 -1.043 1.691) 3.864 5.782 ( -2.148 3.630 -5.135) 6.645 5.782 ( -2.148 3.630 5.135) 6.645 6.552 ( -1.846 -8.070 -9.866) 12.879 6.552 ( -1.846 -8.070 9.866) 12.879 7.490 ( 8.415 8.047 -2.882) 11.995 7.490 ( 8.415 8.047 2.882) 11.995 7.647 ( 0.278 -3.172 -6.326) 7.082 7.647 ( 0.278 -3.172 6.326) 7.082 8.559 ( 7.191 -7.505 -7.509) 12.823 8.559 ( 7.191 -7.505 7.509) 12.823 8.970 ( -12.060 -6.757 -6.486) 15.270 8.970 ( -12.060 -6.757 6.486) 15.270 10.304 ( -0.907 1.902 -28.411) 28.489 10.304 ( -0.907 1.902 28.411) 28.489 18.748 ( -1.671 1.069 -0.095) 1.986 18.748 ( -1.671 1.069 0.095) 1.986 19.455 ( 0.546 -2.686 -4.101) 4.933 19.455 ( 0.546 -2.686 4.101) 4.933 39.413 ( 0.645 -1.821 -2.204) 2.931 39.413 ( 0.645 -1.821 2.204) 2.931 64.472 ( 8.727 16.166 -40.987) 44.916 64.472 ( 8.727 16.166 40.987) 44.916 ======================= Grid point 743 (219/228) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -0.000 6.096 -15.353) 16.519 2.321 ( -0.000 6.096 15.353) 16.519 2.633 ( -0.000 8.851 -17.456) 19.572 2.633 ( -0.000 8.851 17.456) 19.572 4.006 ( -0.000 14.210 -8.166) 16.389 4.006 ( -0.000 14.210 8.166) 16.389 5.722 ( -0.000 1.916 -3.243) 3.767 5.722 ( -0.000 1.916 3.243) 3.767 5.724 ( -0.000 0.154 -5.063) 5.065 5.724 ( -0.000 0.154 5.063) 5.065 6.599 ( 0.000 -7.967 -10.556) 13.225 6.599 ( 0.000 -7.967 10.556) 13.225 7.513 ( -0.000 9.050 -8.154) 12.182 7.513 ( -0.000 9.050 8.154) 12.182 7.667 ( 0.000 -4.455 -12.890) 13.638 7.667 ( 0.000 -4.455 12.890) 13.638 8.773 ( 0.000 -3.565 -9.275) 9.937 8.773 ( 0.000 -3.565 9.275) 9.937 8.840 ( 0.000 -13.868 -1.414) 13.940 8.840 ( 0.000 -13.868 1.414) 13.940 10.282 ( -0.000 1.343 -27.051) 27.084 10.282 ( -0.000 1.343 27.051) 27.084 18.723 ( -0.000 1.260 -0.126) 1.266 18.723 ( -0.000 1.260 0.126) 1.266 19.485 ( 0.000 -3.316 -4.476) 5.570 19.485 ( 0.000 -3.316 4.476) 5.570 39.436 ( 0.000 -1.992 -2.590) 3.268 39.436 ( 0.000 -1.992 2.590) 3.268 64.408 ( -0.000 19.881 -43.125) 47.487 64.408 ( -0.000 19.881 43.125) 47.487 ======================= Grid point 761 (220/228) ======================= q-point: (-0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 2.870 -0.000 -12.342) 12.671 3.058 ( 2.870 -0.000 12.342) 12.671 3.404 ( 9.546 -0.000 -12.058) 15.379 3.404 ( 9.546 -0.000 12.058) 15.379 4.254 ( -24.848 0.000 -5.685) 25.491 4.254 ( -24.848 0.000 5.685) 25.491 5.484 ( -1.306 0.000 -3.021) 3.291 5.484 ( -1.306 0.000 3.021) 3.291 6.015 ( 1.820 -0.000 -1.467) 2.338 6.015 ( 1.820 -0.000 1.467) 2.338 6.355 ( 4.403 -0.000 -9.213) 10.211 6.355 ( 4.403 -0.000 9.213) 10.211 7.171 ( 4.502 -0.000 -4.629) 6.458 7.171 ( 4.502 -0.000 4.629) 6.458 7.477 ( 2.339 -0.000 -5.102) 5.613 7.477 ( 2.339 -0.000 5.102) 5.613 8.108 ( 1.690 -0.000 -3.022) 3.462 8.108 ( 1.690 -0.000 3.022) 3.462 9.252 ( -0.031 0.000 -0.066) 0.073 9.252 ( -0.031 0.000 0.066) 0.073 10.618 ( -8.496 0.000 -8.439) 11.975 10.618 ( -8.496 0.000 8.439) 11.975 18.934 ( -3.295 0.000 -2.005) 3.857 18.934 ( -3.295 0.000 2.005) 3.857 19.357 ( 0.906 -0.000 -2.251) 2.426 19.357 ( 0.906 -0.000 2.251) 2.426 39.370 ( -0.433 0.000 -0.283) 0.517 39.370 ( -0.433 0.000 0.283) 0.517 63.851 ( 21.636 -0.000 -25.217) 33.226 63.851 ( 21.636 -0.000 25.217) 33.226 ======================= Grid point 765 (221/228) ======================= q-point: (-0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -1.756 4.862 -12.565) 13.587 3.038 ( -1.756 4.862 12.565) 13.587 3.477 ( -8.179 5.776 -12.658) 16.139 3.477 ( -8.179 5.776 12.658) 16.139 3.880 ( -9.555 -6.858 -6.109) 13.253 3.880 ( -9.555 -6.858 6.109) 13.253 5.495 ( 1.759 -1.602 -1.049) 2.600 5.495 ( 1.759 -1.602 1.049) 2.600 6.008 ( -1.292 2.259 -3.220) 4.140 6.008 ( -1.292 2.259 3.220) 4.140 6.421 ( 1.264 -1.291 -1.451) 2.317 6.421 ( 1.264 -1.291 1.451) 2.317 7.277 ( 8.263 1.560 -1.007) 8.469 7.277 ( 8.263 1.560 1.007) 8.469 7.553 ( 6.048 2.521 -5.373) 8.474 7.553 ( 6.048 2.521 5.373) 8.474 8.152 ( 0.414 -6.249 -3.134) 7.003 8.152 ( 0.414 -6.249 3.134) 7.003 9.218 ( -4.168 -0.220 -6.113) 7.402 9.218 ( -4.168 -0.220 6.113) 7.402 10.474 ( -6.079 0.917 -20.004) 20.928 10.474 ( -6.079 0.917 20.004) 20.928 18.870 ( -3.326 0.242 -1.191) 3.541 18.870 ( -3.326 0.242 1.191) 3.541 19.376 ( 0.898 -0.464 -2.728) 2.909 19.376 ( 0.898 -0.464 2.728) 2.909 39.366 ( -0.080 -0.173 -0.610) 0.639 39.366 ( -0.080 -0.173 0.610) 0.639 64.228 ( 19.638 2.947 -31.094) 36.894 64.228 ( 19.638 2.947 31.094) 36.894 ======================= Grid point 767 (222/228) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -7.495 9.428 -7.732) 14.313 2.911 ( -7.495 9.428 7.732) 14.313 3.091 ( -19.058 2.498 -3.960) 19.625 3.091 ( -19.058 2.498 3.960) 19.625 3.964 ( 5.897 -5.314 -11.406) 13.896 3.964 ( 5.897 -5.314 11.406) 13.896 5.565 ( 3.996 -1.521 -1.859) 4.662 5.565 ( 3.996 -1.521 1.859) 4.662 5.943 ( -2.583 4.155 -4.665) 6.760 5.943 ( -2.583 4.155 4.665) 6.760 6.427 ( -2.421 -4.363 -7.185) 8.748 6.427 ( -2.421 -4.363 7.185) 8.748 7.438 ( 8.903 1.201 -3.234) 9.548 7.438 ( 8.903 1.201 3.234) 9.548 7.643 ( 8.010 7.778 -6.077) 12.712 7.643 ( 8.010 7.778 6.077) 12.712 8.235 ( 1.097 -11.320 -3.647) 11.943 8.235 ( 1.097 -11.320 3.647) 11.943 9.094 ( -9.356 -0.879 -9.048) 13.045 9.094 ( -9.356 -0.879 9.048) 13.045 10.383 ( -2.656 1.607 -28.535) 28.703 10.383 ( -2.656 1.607 28.535) 28.703 18.810 ( -2.738 0.489 -0.489) 2.824 18.810 ( -2.738 0.489 0.489) 2.824 19.397 ( 0.725 -1.030 -3.229) 3.466 19.397 ( 0.725 -1.030 3.229) 3.466 39.371 ( 0.262 -0.694 -1.105) 1.331 39.371 ( 0.262 -0.694 1.105) 1.331 64.518 ( 15.123 6.100 -36.328) 39.820 64.518 ( 15.123 6.100 36.328) 39.820 ======================= Grid point 769 (223/228) ======================= q-point: (-0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -13.956 5.632 -7.941) 17.016 2.591 ( -13.956 5.632 7.941) 17.016 2.878 ( -3.805 6.926 -12.423) 14.724 2.878 ( -3.805 6.926 12.423) 14.724 4.097 ( 4.004 -2.637 -9.734) 10.851 4.097 ( 4.004 -2.637 9.734) 10.851 5.657 ( 4.692 -0.543 -2.987) 5.588 5.657 ( 4.692 -0.543 2.987) 5.588 5.851 ( -3.343 4.444 -4.470) 7.135 5.851 ( -3.343 4.444 4.470) 7.135 6.424 ( -2.451 -6.998 -11.738) 13.884 6.424 ( -2.451 -6.998 11.738) 13.884 7.552 ( 3.965 0.104 -5.533) 6.808 7.552 ( 3.965 0.104 5.533) 6.808 7.710 ( 6.380 10.411 -6.407) 13.789 7.710 ( 6.380 10.411 6.407) 13.789 8.392 ( 5.313 -12.598 -3.157) 14.032 8.392 ( 5.313 -12.598 3.157) 14.032 8.904 ( -11.536 -1.970 -7.486) 13.893 8.904 ( -11.536 -1.970 7.486) 13.893 10.340 ( -0.595 2.193 -31.602) 31.684 10.340 ( -0.595 2.193 31.602) 31.684 18.764 ( -1.574 0.760 -0.043) 1.748 18.764 ( -1.574 0.760 0.043) 1.748 19.419 ( 0.426 -1.654 -3.670) 4.047 19.419 ( 0.426 -1.654 3.670) 4.047 39.386 ( 0.350 -1.376 -1.698) 2.214 39.386 ( 0.350 -1.376 1.698) 2.214 64.678 ( 8.405 9.090 -40.321) 42.179 64.678 ( 8.405 9.090 40.321) 42.179 ======================= Grid point 771 (224/228) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -0.000 4.766 -11.376) 12.334 2.412 ( -0.000 4.766 11.376) 12.334 2.778 ( -0.000 8.629 -15.077) 17.372 2.778 ( -0.000 8.629 15.077) 17.372 4.139 ( -0.000 1.999 -7.172) 7.445 4.139 ( -0.000 1.999 7.172) 7.445 5.725 ( 0.000 -0.090 -4.930) 4.931 5.725 ( 0.000 -0.090 4.930) 4.931 5.766 ( -0.000 3.686 -2.579) 4.499 5.766 ( -0.000 3.686 2.579) 4.499 6.463 ( 0.000 -8.211 -12.699) 15.123 6.463 ( 0.000 -8.211 12.699) 15.123 7.600 ( 0.000 -2.637 -7.920) 8.347 7.600 ( 0.000 -2.637 7.920) 8.347 7.680 ( -0.000 11.173 -6.613) 12.983 7.680 ( -0.000 11.173 6.613) 12.983 8.602 ( 0.000 -14.909 -0.224) 14.911 8.602 ( 0.000 -14.909 0.224) 14.911 8.755 ( -0.000 0.083 -8.400) 8.401 8.755 ( -0.000 0.083 8.400) 8.401 10.316 ( -0.000 2.447 -31.030) 31.126 10.316 ( -0.000 2.447 31.030) 31.126 18.741 ( -0.000 1.000 -0.172) 1.015 18.741 ( -0.000 1.000 0.172) 1.015 19.439 ( 0.000 -2.244 -3.981) 4.570 19.439 ( 0.000 -2.244 3.981) 4.570 39.403 ( 0.000 -1.843 -2.163) 2.842 39.403 ( 0.000 -1.843 2.163) 2.842 64.671 ( -0.000 12.268 -42.249) 43.994 64.671 ( -0.000 12.268 42.249) 43.994 ======================= Grid point 793 (225/228) ======================= q-point: (-0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -4.259 0.000 -14.504) 15.116 3.013 ( -4.259 0.000 14.504) 15.116 3.092 ( -24.326 0.000 -7.875) 25.568 3.092 ( -24.326 0.000 7.875) 25.568 3.914 ( 7.347 -0.000 -13.381) 15.265 3.914 ( 7.347 -0.000 13.381) 15.265 5.552 ( 4.651 -0.000 -1.941) 5.040 5.552 ( 4.651 -0.000 1.941) 5.040 5.980 ( -2.633 0.000 -4.820) 5.492 5.980 ( -2.633 0.000 4.820) 5.492 6.389 ( -3.180 0.000 -8.217) 8.810 6.389 ( -3.180 0.000 8.217) 8.810 7.444 ( 8.112 -0.000 -0.659) 8.138 7.444 ( 8.112 -0.000 0.659) 8.138 7.738 ( 11.860 -0.000 -2.721) 12.168 7.738 ( 11.860 -0.000 2.721) 12.168 8.113 ( -1.142 0.000 -2.049) 2.345 8.113 ( -1.142 0.000 2.049) 2.345 9.088 ( -9.537 0.000 -8.404) 12.712 9.088 ( -9.537 0.000 8.404) 12.712 10.398 ( -2.623 0.000 -29.114) 29.232 10.398 ( -2.623 0.000 29.114) 29.232 18.814 ( -2.720 0.000 -0.475) 2.761 18.814 ( -2.720 0.000 0.475) 2.761 19.388 ( 0.680 -0.000 -3.111) 3.184 19.388 ( 0.680 -0.000 3.111) 3.184 39.365 ( 0.108 -0.000 -0.877) 0.883 39.365 ( 0.108 -0.000 0.877) 0.883 64.568 ( 15.083 -0.000 -36.254) 39.266 64.568 ( 15.083 -0.000 36.254) 39.266 ======================= Grid point 797 (226/228) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -16.753 2.011 -7.142) 18.323 2.655 ( -16.753 2.011 7.142) 18.323 2.967 ( -2.040 3.179 -13.920) 14.424 2.967 ( -2.040 3.179 13.920) 14.424 4.040 ( 4.394 -2.694 -13.758) 14.692 4.040 ( 4.394 -2.694 13.758) 14.692 5.651 ( 5.450 -0.187 -3.720) 6.601 5.651 ( 5.450 -0.187 3.720) 6.601 5.910 ( -3.819 2.170 -4.523) 6.305 5.910 ( -3.819 2.170 4.523) 6.305 6.339 ( -2.799 -2.927 -13.406) 14.005 6.339 ( -2.799 -2.927 13.406) 14.005 7.557 ( 3.941 0.396 -2.864) 4.888 7.557 ( 3.941 0.396 2.864) 4.888 7.908 ( 8.843 12.393 -3.230) 15.563 7.908 ( 8.843 12.393 3.230) 15.563 8.170 ( 3.236 -13.199 -0.768) 13.612 8.170 ( 3.236 -13.199 0.768) 13.612 8.885 ( -11.325 -0.532 -6.688) 13.163 8.885 ( -11.325 -0.532 6.688) 13.163 10.367 ( -0.531 0.931 -33.334) 33.351 10.367 ( -0.531 0.931 33.334) 33.351 18.772 ( -1.541 0.274 -0.031) 1.565 18.772 ( -1.541 0.274 0.031) 1.565 19.401 ( 0.373 -0.562 -3.428) 3.494 19.401 ( 0.373 -0.562 3.428) 3.494 39.370 ( 0.163 -0.510 -1.216) 1.328 39.370 ( 0.163 -0.510 1.216) 1.328 64.776 ( 8.231 2.922 -39.837) 40.783 64.776 ( 8.231 2.922 39.837) 40.783 ======================= Grid point 799 (227/228) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -0.000 2.606 -7.989) 8.403 2.474 ( -0.000 2.606 7.989) 8.403 2.906 ( -0.000 6.351 -14.281) 15.629 2.906 ( -0.000 6.351 14.281) 15.629 4.110 ( 0.000 -3.746 -12.102) 12.669 4.110 ( 0.000 -3.746 12.102) 12.669 5.723 ( 0.000 -0.127 -4.782) 4.784 5.723 ( 0.000 -0.127 4.782) 4.784 5.831 ( -0.000 3.619 -3.357) 4.936 5.831 ( -0.000 3.619 3.357) 4.936 6.346 ( 0.000 -5.448 -14.462) 15.454 6.346 ( 0.000 -5.448 14.462) 15.454 7.587 ( -0.000 0.600 -4.851) 4.888 7.587 ( -0.000 0.600 4.851) 4.888 7.878 ( -0.000 12.769 -4.928) 13.687 7.878 ( -0.000 12.769 4.928) 13.687 8.356 ( 0.000 -14.800 -1.257) 14.853 8.356 ( 0.000 -14.800 1.257) 14.853 8.753 ( 0.000 -0.437 -5.672) 5.689 8.753 ( 0.000 -0.437 5.672) 5.689 10.353 ( -0.000 1.735 -33.745) 33.789 10.353 ( -0.000 1.735 33.745) 33.789 18.754 ( -0.000 0.551 -0.203) 0.587 18.754 ( -0.000 0.551 0.203) 0.587 19.411 ( 0.000 -1.146 -3.625) 3.801 19.411 ( 0.000 -1.146 3.625) 3.801 39.379 ( 0.000 -1.094 -1.551) 1.897 39.379 ( 0.000 -1.094 1.551) 1.897 64.818 ( -0.000 5.811 -41.357) 41.763 64.818 ( -0.000 5.811 41.357) 41.763 ======================= Grid point 827 (228/228) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -0.000 0.000 -6.465) 6.465 2.495 ( -0.000 0.000 6.465) 6.465 2.963 ( -0.000 0.000 -14.540) 14.540 2.963 ( -0.000 0.000 14.540) 14.540 4.070 ( -0.000 0.000 -14.331) 14.331 4.070 ( -0.000 0.000 14.331) 14.331 5.721 ( -0.000 0.000 -4.719) 4.719 5.721 ( -0.000 0.000 4.719) 4.719 5.864 ( -0.000 0.000 -4.124) 4.124 5.864 ( -0.000 0.000 4.124) 4.124 6.299 ( -0.000 0.000 -15.386) 15.386 6.299 ( -0.000 0.000 15.386) 15.386 7.596 ( -0.000 0.000 -3.603) 3.603 7.596 ( -0.000 0.000 3.603) 3.603 8.062 ( -0.000 0.000 -3.062) 3.062 8.062 ( -0.000 0.000 3.062) 3.062 8.155 ( 0.000 -0.000 -0.011) 0.011 8.155 ( 0.000 -0.000 0.011) 0.011 8.747 ( -0.000 0.000 -4.110) 4.110 8.747 ( -0.000 0.000 4.110) 4.110 10.368 ( -0.000 0.000 -34.715) 34.715 10.368 ( -0.000 0.000 34.715) 34.715 18.759 ( -0.000 0.000 -0.213) 0.213 18.759 ( -0.000 0.000 0.213) 0.213 19.402 ( -0.000 0.000 -3.498) 3.498 19.402 ( -0.000 0.000 3.498) 3.498 39.369 ( -0.000 0.000 -1.236) 1.236 39.369 ( -0.000 0.000 1.236) 1.236 64.866 ( -0.000 0.000 -41.025) 41.025 64.866 ( -0.000 0.000 41.025) 41.025 =================== 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 3/35280 10.0 2921.150 4651.031 3207.503 0.000 0.000 -0.000 3/35280 20.0 475.157 524.938 513.899 0.000 0.000 -0.000 3/35280 30.0 155.054 162.241 168.225 0.000 0.000 -0.000 3/35280 40.0 69.752 72.056 76.400 0.000 0.000 -0.000 3/35280 50.0 38.529 39.668 42.572 0.000 0.000 -0.000 3/35280 60.0 24.764 25.346 27.382 0.000 0.000 -0.000 3/35280 70.0 17.727 18.001 19.509 0.000 0.000 -0.000 3/35280 80.0 13.677 13.784 14.954 0.000 0.000 -0.000 3/35280 90.0 11.120 11.139 12.080 0.000 0.000 -0.000 3/35280 100.0 9.386 9.359 10.139 0.000 0.000 -0.000 3/35280 110.0 8.141 8.093 8.754 0.000 0.000 -0.000 3/35280 120.0 7.205 7.149 7.722 0.000 0.000 -0.000 3/35280 130.0 6.478 6.419 6.923 0.000 0.000 -0.000 3/35280 140.0 5.894 5.837 6.287 0.000 0.000 -0.000 3/35280 150.0 5.415 5.361 5.768 0.000 0.000 -0.000 3/35280 160.0 5.014 4.964 5.335 0.000 0.000 -0.000 3/35280 170.0 4.673 4.627 4.968 0.000 0.000 -0.000 3/35280 180.0 4.379 4.336 4.653 0.000 0.000 -0.000 3/35280 190.0 4.122 4.083 4.378 0.000 0.000 -0.000 3/35280 200.0 3.896 3.860 4.137 0.000 0.000 -0.000 3/35280 210.0 3.695 3.661 3.923 0.000 0.000 -0.000 3/35280 220.0 3.515 3.484 3.731 0.000 0.000 -0.000 3/35280 230.0 3.353 3.323 3.559 0.000 0.000 -0.000 3/35280 240.0 3.205 3.178 3.402 0.000 0.000 -0.000 3/35280 250.0 3.071 3.046 3.260 0.000 0.000 -0.000 3/35280 260.0 2.949 2.925 3.130 0.000 0.000 -0.000 3/35280 270.0 2.836 2.814 3.011 0.000 0.000 -0.000 3/35280 280.0 2.732 2.712 2.902 0.000 0.000 -0.000 3/35280 290.0 2.637 2.617 2.800 0.000 0.000 -0.000 3/35280 300.0 2.548 2.530 2.707 0.000 0.000 -0.000 3/35280 310.0 2.466 2.449 2.620 0.000 0.000 -0.000 3/35280 320.0 2.389 2.374 2.539 0.000 0.000 -0.000 3/35280 330.0 2.318 2.304 2.464 0.000 0.000 -0.000 3/35280 340.0 2.251 2.239 2.395 0.000 0.000 -0.000 3/35280 350.0 2.189 2.179 2.329 0.000 0.000 -0.000 3/35280 360.0 2.131 2.122 2.269 0.000 0.000 -0.000 3/35280 370.0 2.076 2.070 2.212 0.000 0.000 -0.000 3/35280 380.0 2.025 2.020 2.159 0.000 0.000 -0.000 3/35280 390.0 1.977 1.975 2.110 0.000 0.000 -0.000 3/35280 400.0 1.932 1.932 2.064 0.000 0.000 -0.000 3/35280 410.0 1.890 1.892 2.020 0.000 0.000 -0.000 3/35280 420.0 1.851 1.855 1.980 0.000 0.000 -0.000 3/35280 430.0 1.814 1.821 1.942 0.000 0.000 -0.000 3/35280 440.0 1.779 1.788 1.907 0.000 0.000 -0.000 3/35280 450.0 1.746 1.758 1.874 0.000 0.000 -0.000 3/35280 460.0 1.715 1.730 1.843 0.000 0.000 -0.000 3/35280 470.0 1.686 1.704 1.814 0.000 0.000 -0.000 3/35280 480.0 1.659 1.680 1.787 0.000 0.000 -0.000 3/35280 490.0 1.633 1.657 1.762 0.000 0.000 -0.000 3/35280 500.0 1.609 1.636 1.738 0.000 0.000 -0.000 3/35280 510.0 1.586 1.617 1.716 0.000 0.000 -0.000 3/35280 520.0 1.564 1.599 1.695 0.000 0.000 -0.000 3/35280 530.0 1.544 1.582 1.676 0.000 0.000 -0.000 3/35280 540.0 1.525 1.566 1.657 0.000 0.000 -0.000 3/35280 550.0 1.506 1.551 1.640 0.000 0.000 -0.000 3/35280 560.0 1.489 1.538 1.624 0.000 0.000 -0.000 3/35280 570.0 1.473 1.525 1.609 0.000 0.000 -0.000 3/35280 580.0 1.458 1.514 1.595 0.000 0.000 -0.000 3/35280 590.0 1.443 1.503 1.582 0.000 0.000 -0.000 3/35280 600.0 1.429 1.493 1.570 0.000 0.000 -0.000 3/35280 610.0 1.416 1.483 1.558 0.000 0.000 -0.000 3/35280 620.0 1.404 1.475 1.548 0.000 0.000 -0.000 3/35280 630.0 1.392 1.467 1.537 0.000 0.000 -0.000 3/35280 640.0 1.381 1.459 1.528 0.000 0.000 -0.000 3/35280 650.0 1.370 1.452 1.519 0.000 0.000 -0.000 3/35280 660.0 1.360 1.446 1.510 0.000 0.000 -0.000 3/35280 670.0 1.350 1.440 1.502 0.000 0.000 -0.000 3/35280 680.0 1.341 1.434 1.494 0.000 0.000 -0.000 3/35280 690.0 1.332 1.429 1.487 0.000 0.000 -0.000 3/35280 700.0 1.323 1.424 1.480 0.000 0.000 -0.000 3/35280 710.0 1.315 1.420 1.474 0.000 0.000 -0.000 3/35280 720.0 1.307 1.415 1.468 0.000 0.000 -0.000 3/35280 730.0 1.299 1.411 1.462 0.000 0.000 -0.000 3/35280 740.0 1.292 1.408 1.456 0.000 0.000 -0.000 3/35280 750.0 1.285 1.404 1.451 0.000 0.000 -0.000 3/35280 760.0 1.278 1.401 1.446 0.000 0.000 -0.000 3/35280 770.0 1.272 1.398 1.441 0.000 0.000 -0.000 3/35280 780.0 1.266 1.395 1.436 0.000 0.000 -0.000 3/35280 790.0 1.260 1.392 1.431 0.000 0.000 -0.000 3/35280 800.0 1.254 1.389 1.427 0.000 0.000 -0.000 3/35280 810.0 1.248 1.387 1.423 0.000 0.000 -0.000 3/35280 820.0 1.242 1.384 1.419 0.000 0.000 -0.000 3/35280 830.0 1.237 1.382 1.415 0.000 0.000 -0.000 3/35280 840.0 1.232 1.380 1.411 0.000 0.000 -0.000 3/35280 850.0 1.226 1.378 1.407 0.000 0.000 -0.000 3/35280 860.0 1.221 1.376 1.404 0.000 0.000 -0.000 3/35280 870.0 1.216 1.374 1.400 0.000 0.000 -0.000 3/35280 880.0 1.212 1.372 1.397 0.000 0.000 -0.000 3/35280 890.0 1.207 1.370 1.393 0.000 0.000 -0.000 3/35280 900.0 1.202 1.368 1.390 0.000 0.000 -0.000 3/35280 910.0 1.198 1.366 1.386 0.000 0.000 -0.000 3/35280 920.0 1.193 1.364 1.383 0.000 0.000 -0.000 3/35280 930.0 1.189 1.362 1.380 0.000 0.000 -0.000 3/35280 940.0 1.185 1.361 1.377 0.000 0.000 -0.000 3/35280 950.0 1.180 1.359 1.374 0.000 0.000 -0.000 3/35280 960.0 1.176 1.357 1.371 0.000 0.000 -0.000 3/35280 970.0 1.172 1.355 1.368 0.000 0.000 -0.000 3/35280 980.0 1.168 1.354 1.365 0.000 0.000 -0.000 3/35280 990.0 1.164 1.352 1.362 0.000 0.000 -0.000 3/35280 1000.0 1.160 1.350 1.359 0.000 0.000 -0.000 3/35280 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:37:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|