----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:42:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125808360719957 1.227336029307221 3.894077943333329 b -2.125808360719952 1.227336029307221 3.894077943333329 c 0.000000000000002 -2.454672058614446 3.894077943333329 Atomic positions (fractional): *1 H 0.75000000000000 0.08385361574722 0.41614638425278 1.008 2 H 0.08385361574722 0.41614638425278 0.75000000000000 1.008 3 H 0.58385361574722 0.25000000000000 0.91614638425278 1.008 4 H 0.91614638425278 0.58385361574722 0.25000000000000 1.008 5 H 0.25000000000000 0.91614638425278 0.58385361574722 1.008 6 H 0.41614638425278 0.75000000000000 0.08385361574722 1.008 *7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.251616721439909 0.000000000000000 0.000000000000000 b -2.125808360719954 3.682008087921668 0.000000000000000 c 0.000000000000000 0.000000000000000 11.682233829999999 Atomic positions (fractional): *1 H 0.66666666666667 0.66718694908056 0.08333333333333 1.008 > 1 2 H 0.00052028241389 0.33333333333333 0.08333333333333 1.008 > 2 3 H 0.33385361574722 0.33385361574722 0.25000000000000 1.008 > 3 4 H 0.66614638425278 0.00000000000000 0.25000000000000 1.008 > 4 5 H 0.00000000000000 0.66614638425278 0.25000000000000 1.008 > 5 6 H 0.33281305091945 0.99947971758611 0.08333333333333 1.008 > 6 7 H 0.33333333333333 0.00052028241389 0.41666666666667 1.008 > 1 8 H 0.66718694908056 0.66666666666667 0.41666666666667 1.008 > 2 9 H 0.00052028241389 0.66718694908056 0.58333333333333 1.008 > 3 10 H 0.33281305091945 0.33333333333333 0.58333333333333 1.008 > 4 11 H 0.66666666666667 0.99947971758611 0.58333333333333 1.008 > 5 12 H 0.99947971758611 0.33281305091945 0.41666666666667 1.008 > 6 13 H 0.00000000000000 0.33385361574722 0.75000000000000 1.008 > 1 14 H 0.33385361574722 0.00000000000000 0.75000000000000 1.008 > 2 15 H 0.66718694908055 0.00052028241389 0.91666666666667 1.008 > 3 16 H 0.99947971758611 0.66666666666667 0.91666666666667 1.008 > 4 17 H 0.33333333333333 0.33281305091945 0.91666666666667 1.008 > 5 18 H 0.66614638425278 0.66614638425278 0.75000000000000 1.008 > 6 *19 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 7 20 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 8 21 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 22 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 8 23 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 7 24 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.503233442879818 0.000000000000000 0.000000000000000 b -4.251616721439908 7.364016175843336 0.000000000000000 c 0.000000000000000 0.000000000000000 11.682233829999999 Atomic positions (fractional): *1 H 0.33333333333333 0.33359347454028 0.08333333333333 1.008 > 1 2 H 0.83333333333333 0.33359347454028 0.08333333333333 1.008 > 1 3 H 0.33333333333333 0.83359347454028 0.08333333333333 1.008 > 1 4 H 0.83333333333333 0.83359347454028 0.08333333333333 1.008 > 1 5 H 0.00026014120694 0.16666666666667 0.08333333333333 1.008 > 2 6 H 0.50026014120694 0.16666666666667 0.08333333333333 1.008 > 2 7 H 0.00026014120694 0.66666666666667 0.08333333333333 1.008 > 2 8 H 0.50026014120694 0.66666666666667 0.08333333333333 1.008 > 2 9 H 0.16692680787361 0.16692680787361 0.25000000000000 1.008 > 3 10 H 0.66692680787361 0.16692680787361 0.25000000000000 1.008 > 3 11 H 0.16692680787361 0.66692680787361 0.25000000000000 1.008 > 3 12 H 0.66692680787361 0.66692680787361 0.25000000000000 1.008 > 3 13 H 0.33307319212639 0.00000000000000 0.25000000000000 1.008 > 4 14 H 0.83307319212639 0.00000000000000 0.25000000000000 1.008 > 4 15 H 0.33307319212639 0.50000000000000 0.25000000000000 1.008 > 4 16 H 0.83307319212639 0.50000000000000 0.25000000000000 1.008 > 4 17 H 0.00000000000000 0.33307319212639 0.25000000000000 1.008 > 5 18 H 0.50000000000000 0.33307319212639 0.25000000000000 1.008 > 5 19 H 0.00000000000000 0.83307319212639 0.25000000000000 1.008 > 5 20 H 0.50000000000000 0.83307319212639 0.25000000000000 1.008 > 5 21 H 0.16640652545972 0.49973985879306 0.08333333333333 1.008 > 6 22 H 0.66640652545972 0.49973985879306 0.08333333333333 1.008 > 6 23 H 0.16640652545972 0.99973985879306 0.08333333333333 1.008 > 6 24 H 0.66640652545972 0.99973985879306 0.08333333333333 1.008 > 6 25 H 0.16666666666667 0.00026014120694 0.41666666666667 1.008 > 1 26 H 0.66666666666667 0.00026014120694 0.41666666666667 1.008 > 1 27 H 0.16666666666667 0.50026014120694 0.41666666666667 1.008 > 1 28 H 0.66666666666667 0.50026014120694 0.41666666666667 1.008 > 1 29 H 0.33359347454028 0.33333333333333 0.41666666666667 1.008 > 2 30 H 0.83359347454028 0.33333333333333 0.41666666666667 1.008 > 2 31 H 0.33359347454028 0.83333333333333 0.41666666666667 1.008 > 2 32 H 0.83359347454028 0.83333333333333 0.41666666666667 1.008 > 2 33 H 0.00026014120694 0.33359347454028 0.58333333333333 1.008 > 3 34 H 0.50026014120694 0.33359347454028 0.58333333333333 1.008 > 3 35 H 0.00026014120694 0.83359347454028 0.58333333333333 1.008 > 3 36 H 0.50026014120694 0.83359347454028 0.58333333333333 1.008 > 3 37 H 0.16640652545972 0.16666666666667 0.58333333333333 1.008 > 4 38 H 0.66640652545972 0.16666666666667 0.58333333333333 1.008 > 4 39 H 0.16640652545972 0.66666666666667 0.58333333333333 1.008 > 4 40 H 0.66640652545972 0.66666666666667 0.58333333333333 1.008 > 4 41 H 0.33333333333333 0.49973985879306 0.58333333333333 1.008 > 5 42 H 0.83333333333333 0.49973985879306 0.58333333333333 1.008 > 5 43 H 0.33333333333333 0.99973985879306 0.58333333333333 1.008 > 5 44 H 0.83333333333333 0.99973985879306 0.58333333333333 1.008 > 5 45 H 0.49973985879306 0.16640652545972 0.41666666666667 1.008 > 6 46 H 0.99973985879306 0.16640652545972 0.41666666666667 1.008 > 6 47 H 0.49973985879306 0.66640652545972 0.41666666666667 1.008 > 6 48 H 0.99973985879306 0.66640652545972 0.41666666666667 1.008 > 6 49 H 0.00000000000000 0.16692680787361 0.75000000000000 1.008 > 1 50 H 0.50000000000000 0.16692680787361 0.75000000000000 1.008 > 1 51 H 0.00000000000000 0.66692680787361 0.75000000000000 1.008 > 1 52 H 0.50000000000000 0.66692680787361 0.75000000000000 1.008 > 1 53 H 0.16692680787361 0.00000000000000 0.75000000000000 1.008 > 2 54 H 0.66692680787361 0.00000000000000 0.75000000000000 1.008 > 2 55 H 0.16692680787361 0.50000000000000 0.75000000000000 1.008 > 2 56 H 0.66692680787361 0.50000000000000 0.75000000000000 1.008 > 2 57 H 0.33359347454028 0.00026014120694 0.91666666666667 1.008 > 3 58 H 0.83359347454028 0.00026014120694 0.91666666666667 1.008 > 3 59 H 0.33359347454028 0.50026014120694 0.91666666666667 1.008 > 3 60 H 0.83359347454028 0.50026014120694 0.91666666666667 1.008 > 3 61 H 0.49973985879306 0.33333333333333 0.91666666666667 1.008 > 4 62 H 0.99973985879306 0.33333333333333 0.91666666666667 1.008 > 4 63 H 0.49973985879306 0.83333333333333 0.91666666666667 1.008 > 4 64 H 0.99973985879306 0.83333333333333 0.91666666666667 1.008 > 4 65 H 0.16666666666667 0.16640652545972 0.91666666666667 1.008 > 5 66 H 0.66666666666667 0.16640652545972 0.91666666666667 1.008 > 5 67 H 0.16666666666667 0.66640652545972 0.91666666666667 1.008 > 5 68 H 0.66666666666667 0.66640652545972 0.91666666666667 1.008 > 5 69 H 0.33307319212639 0.33307319212639 0.75000000000000 1.008 > 6 70 H 0.83307319212639 0.33307319212639 0.75000000000000 1.008 > 6 71 H 0.33307319212639 0.83307319212639 0.75000000000000 1.008 > 6 72 H 0.83307319212639 0.83307319212639 0.75000000000000 1.008 > 6 *73 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 7 74 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 7 75 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 7 76 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 7 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 8 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 8 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 8 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 8 81 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 7 82 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 7 83 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 7 84 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 7 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 8 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 8 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 8 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 8 89 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 7 90 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 7 91 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 7 92 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 7 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 8 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 8 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 8 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2231399 0.0000000 0.0000000 0.0000000 5.2231399 0.0000000 0.0000000 0.0000000 5.3713339 -------------------------- Born effective charges -------------------------- 1 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 2 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 3 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 4 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 5 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 6 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 7 Al 2.5833112 -0.4769598 0.0000000 0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 8 Al 2.5833112 0.4769598 0.0000000 -0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 80 / 80 - Time: 0.219 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.228 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:42:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125808360719957 1.227336029307221 3.894077943333329 b -2.125808360719952 1.227336029307221 3.894077943333329 c 0.000000000000002 -2.454672058614446 3.894077943333329 Atomic positions (fractional): 1 H 0.75000000000000 0.08385361574722 0.41614638425278 1.008 2 H 0.08385361574722 0.41614638425278 0.75000000000000 1.008 3 H 0.58385361574722 0.25000000000000 0.91614638425278 1.008 4 H 0.91614638425278 0.58385361574722 0.25000000000000 1.008 5 H 0.25000000000000 0.91614638425278 0.58385361574722 1.008 6 H 0.41614638425278 0.75000000000000 0.08385361574722 1.008 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.503233442879818 0.000000000000000 0.000000000000000 b -4.251616721439908 7.364016175843336 0.000000000000000 c 0.000000000000000 0.000000000000000 11.682233829999999 Atomic positions (fractional): 1 H 0.33333333333333 0.33359347454028 0.08333333333333 1.008 > 1 2 H 0.83333333333333 0.33359347454028 0.08333333333333 1.008 > 1 3 H 0.33333333333333 0.83359347454028 0.08333333333333 1.008 > 1 4 H 0.83333333333333 0.83359347454028 0.08333333333333 1.008 > 1 5 H 0.00026014120694 0.16666666666667 0.08333333333333 1.008 > 5 6 H 0.50026014120694 0.16666666666667 0.08333333333333 1.008 > 5 7 H 0.00026014120694 0.66666666666667 0.08333333333333 1.008 > 5 8 H 0.50026014120694 0.66666666666667 0.08333333333333 1.008 > 5 9 H 0.16692680787361 0.16692680787361 0.25000000000000 1.008 > 9 10 H 0.66692680787361 0.16692680787361 0.25000000000000 1.008 > 9 11 H 0.16692680787361 0.66692680787361 0.25000000000000 1.008 > 9 12 H 0.66692680787361 0.66692680787361 0.25000000000000 1.008 > 9 13 H 0.33307319212639 0.00000000000000 0.25000000000000 1.008 > 13 14 H 0.83307319212639 0.00000000000000 0.25000000000000 1.008 > 13 15 H 0.33307319212639 0.50000000000000 0.25000000000000 1.008 > 13 16 H 0.83307319212639 0.50000000000000 0.25000000000000 1.008 > 13 17 H 0.00000000000000 0.33307319212639 0.25000000000000 1.008 > 17 18 H 0.50000000000000 0.33307319212639 0.25000000000000 1.008 > 17 19 H 0.00000000000000 0.83307319212639 0.25000000000000 1.008 > 17 20 H 0.50000000000000 0.83307319212639 0.25000000000000 1.008 > 17 21 H 0.16640652545972 0.49973985879306 0.08333333333333 1.008 > 21 22 H 0.66640652545972 0.49973985879306 0.08333333333333 1.008 > 21 23 H 0.16640652545972 0.99973985879306 0.08333333333333 1.008 > 21 24 H 0.66640652545972 0.99973985879306 0.08333333333333 1.008 > 21 25 H 0.16666666666667 0.00026014120694 0.41666666666667 1.008 > 1 26 H 0.66666666666667 0.00026014120694 0.41666666666667 1.008 > 1 27 H 0.16666666666667 0.50026014120694 0.41666666666667 1.008 > 1 28 H 0.66666666666667 0.50026014120694 0.41666666666667 1.008 > 1 29 H 0.33359347454028 0.33333333333333 0.41666666666667 1.008 > 5 30 H 0.83359347454028 0.33333333333333 0.41666666666667 1.008 > 5 31 H 0.33359347454028 0.83333333333333 0.41666666666667 1.008 > 5 32 H 0.83359347454028 0.83333333333333 0.41666666666667 1.008 > 5 33 H 0.00026014120694 0.33359347454028 0.58333333333333 1.008 > 9 34 H 0.50026014120694 0.33359347454028 0.58333333333333 1.008 > 9 35 H 0.00026014120694 0.83359347454028 0.58333333333333 1.008 > 9 36 H 0.50026014120694 0.83359347454028 0.58333333333333 1.008 > 9 37 H 0.16640652545972 0.16666666666667 0.58333333333333 1.008 > 13 38 H 0.66640652545972 0.16666666666667 0.58333333333333 1.008 > 13 39 H 0.16640652545972 0.66666666666667 0.58333333333333 1.008 > 13 40 H 0.66640652545972 0.66666666666667 0.58333333333333 1.008 > 13 41 H 0.33333333333333 0.49973985879306 0.58333333333333 1.008 > 17 42 H 0.83333333333333 0.49973985879306 0.58333333333333 1.008 > 17 43 H 0.33333333333333 0.99973985879306 0.58333333333333 1.008 > 17 44 H 0.83333333333333 0.99973985879306 0.58333333333333 1.008 > 17 45 H 0.49973985879306 0.16640652545972 0.41666666666667 1.008 > 21 46 H 0.99973985879306 0.16640652545972 0.41666666666667 1.008 > 21 47 H 0.49973985879306 0.66640652545972 0.41666666666667 1.008 > 21 48 H 0.99973985879306 0.66640652545972 0.41666666666667 1.008 > 21 49 H 0.00000000000000 0.16692680787361 0.75000000000000 1.008 > 1 50 H 0.50000000000000 0.16692680787361 0.75000000000000 1.008 > 1 51 H 0.00000000000000 0.66692680787361 0.75000000000000 1.008 > 1 52 H 0.50000000000000 0.66692680787361 0.75000000000000 1.008 > 1 53 H 0.16692680787361 0.00000000000000 0.75000000000000 1.008 > 5 54 H 0.66692680787361 0.00000000000000 0.75000000000000 1.008 > 5 55 H 0.16692680787361 0.50000000000000 0.75000000000000 1.008 > 5 56 H 0.66692680787361 0.50000000000000 0.75000000000000 1.008 > 5 57 H 0.33359347454028 0.00026014120694 0.91666666666667 1.008 > 9 58 H 0.83359347454028 0.00026014120694 0.91666666666667 1.008 > 9 59 H 0.33359347454028 0.50026014120694 0.91666666666667 1.008 > 9 60 H 0.83359347454028 0.50026014120694 0.91666666666667 1.008 > 9 61 H 0.49973985879306 0.33333333333333 0.91666666666667 1.008 > 13 62 H 0.99973985879306 0.33333333333333 0.91666666666667 1.008 > 13 63 H 0.49973985879306 0.83333333333333 0.91666666666667 1.008 > 13 64 H 0.99973985879306 0.83333333333333 0.91666666666667 1.008 > 13 65 H 0.16666666666667 0.16640652545972 0.91666666666667 1.008 > 17 66 H 0.66666666666667 0.16640652545972 0.91666666666667 1.008 > 17 67 H 0.16666666666667 0.66640652545972 0.91666666666667 1.008 > 17 68 H 0.66666666666667 0.66640652545972 0.91666666666667 1.008 > 17 69 H 0.33307319212639 0.33307319212639 0.75000000000000 1.008 > 21 70 H 0.83307319212639 0.33307319212639 0.75000000000000 1.008 > 21 71 H 0.33307319212639 0.83307319212639 0.75000000000000 1.008 > 21 72 H 0.83307319212639 0.83307319212639 0.75000000000000 1.008 > 21 73 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 73 74 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 73 75 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 73 76 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 77 81 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 73 82 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 73 83 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 73 84 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 73 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 77 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 77 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 77 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 77 89 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 73 90 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 73 91 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 73 92 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 73 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 77 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 77 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 77 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2231399 0.0000000 0.0000000 0.0000000 5.2231399 0.0000000 0.0000000 0.0000000 5.3713339 -------------------------- Born effective charges -------------------------- 1 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 2 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 3 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 4 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 5 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 6 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 7 Al 2.5833112 -0.4769598 0.0000000 0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 8 Al 2.5833112 0.4769598 0.0000000 -0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yxz) -0.00000002 (yxz) -0.00000002 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xy) 0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:42:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.125808360719957 1.227336029307221 3.894077943333329 b -2.125808360719952 1.227336029307221 3.894077943333329 c 0.000000000000002 -2.454672058614446 3.894077943333329 Atomic positions (fractional): 1 H 0.75000000000000 0.08385361574722 0.41614638425278 1.008 2 H 0.08385361574722 0.41614638425278 0.75000000000000 1.008 3 H 0.58385361574722 0.25000000000000 0.91614638425278 1.008 4 H 0.91614638425278 0.58385361574722 0.25000000000000 1.008 5 H 0.25000000000000 0.91614638425278 0.58385361574722 1.008 6 H 0.41614638425278 0.75000000000000 0.08385361574722 1.008 7 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 8 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.503233442879818 0.000000000000000 0.000000000000000 b -4.251616721439908 7.364016175843336 0.000000000000000 c 0.000000000000000 0.000000000000000 11.682233829999999 Atomic positions (fractional): 1 H 0.33333333333333 0.33359347454028 0.08333333333333 1.008 > 1 2 H 0.83333333333333 0.33359347454028 0.08333333333333 1.008 > 1 3 H 0.33333333333333 0.83359347454028 0.08333333333333 1.008 > 1 4 H 0.83333333333333 0.83359347454028 0.08333333333333 1.008 > 1 5 H 0.00026014120694 0.16666666666667 0.08333333333333 1.008 > 5 6 H 0.50026014120694 0.16666666666667 0.08333333333333 1.008 > 5 7 H 0.00026014120694 0.66666666666667 0.08333333333333 1.008 > 5 8 H 0.50026014120694 0.66666666666667 0.08333333333333 1.008 > 5 9 H 0.16692680787361 0.16692680787361 0.25000000000000 1.008 > 9 10 H 0.66692680787361 0.16692680787361 0.25000000000000 1.008 > 9 11 H 0.16692680787361 0.66692680787361 0.25000000000000 1.008 > 9 12 H 0.66692680787361 0.66692680787361 0.25000000000000 1.008 > 9 13 H 0.33307319212639 0.00000000000000 0.25000000000000 1.008 > 13 14 H 0.83307319212639 0.00000000000000 0.25000000000000 1.008 > 13 15 H 0.33307319212639 0.50000000000000 0.25000000000000 1.008 > 13 16 H 0.83307319212639 0.50000000000000 0.25000000000000 1.008 > 13 17 H 0.00000000000000 0.33307319212639 0.25000000000000 1.008 > 17 18 H 0.50000000000000 0.33307319212639 0.25000000000000 1.008 > 17 19 H 0.00000000000000 0.83307319212639 0.25000000000000 1.008 > 17 20 H 0.50000000000000 0.83307319212639 0.25000000000000 1.008 > 17 21 H 0.16640652545972 0.49973985879306 0.08333333333333 1.008 > 21 22 H 0.66640652545972 0.49973985879306 0.08333333333333 1.008 > 21 23 H 0.16640652545972 0.99973985879306 0.08333333333333 1.008 > 21 24 H 0.66640652545972 0.99973985879306 0.08333333333333 1.008 > 21 25 H 0.16666666666667 0.00026014120694 0.41666666666667 1.008 > 1 26 H 0.66666666666667 0.00026014120694 0.41666666666667 1.008 > 1 27 H 0.16666666666667 0.50026014120694 0.41666666666667 1.008 > 1 28 H 0.66666666666667 0.50026014120694 0.41666666666667 1.008 > 1 29 H 0.33359347454028 0.33333333333333 0.41666666666667 1.008 > 5 30 H 0.83359347454028 0.33333333333333 0.41666666666667 1.008 > 5 31 H 0.33359347454028 0.83333333333333 0.41666666666667 1.008 > 5 32 H 0.83359347454028 0.83333333333333 0.41666666666667 1.008 > 5 33 H 0.00026014120694 0.33359347454028 0.58333333333333 1.008 > 9 34 H 0.50026014120694 0.33359347454028 0.58333333333333 1.008 > 9 35 H 0.00026014120694 0.83359347454028 0.58333333333333 1.008 > 9 36 H 0.50026014120694 0.83359347454028 0.58333333333333 1.008 > 9 37 H 0.16640652545972 0.16666666666667 0.58333333333333 1.008 > 13 38 H 0.66640652545972 0.16666666666667 0.58333333333333 1.008 > 13 39 H 0.16640652545972 0.66666666666667 0.58333333333333 1.008 > 13 40 H 0.66640652545972 0.66666666666667 0.58333333333333 1.008 > 13 41 H 0.33333333333333 0.49973985879306 0.58333333333333 1.008 > 17 42 H 0.83333333333333 0.49973985879306 0.58333333333333 1.008 > 17 43 H 0.33333333333333 0.99973985879306 0.58333333333333 1.008 > 17 44 H 0.83333333333333 0.99973985879306 0.58333333333333 1.008 > 17 45 H 0.49973985879306 0.16640652545972 0.41666666666667 1.008 > 21 46 H 0.99973985879306 0.16640652545972 0.41666666666667 1.008 > 21 47 H 0.49973985879306 0.66640652545972 0.41666666666667 1.008 > 21 48 H 0.99973985879306 0.66640652545972 0.41666666666667 1.008 > 21 49 H 0.00000000000000 0.16692680787361 0.75000000000000 1.008 > 1 50 H 0.50000000000000 0.16692680787361 0.75000000000000 1.008 > 1 51 H 0.00000000000000 0.66692680787361 0.75000000000000 1.008 > 1 52 H 0.50000000000000 0.66692680787361 0.75000000000000 1.008 > 1 53 H 0.16692680787361 0.00000000000000 0.75000000000000 1.008 > 5 54 H 0.66692680787361 0.00000000000000 0.75000000000000 1.008 > 5 55 H 0.16692680787361 0.50000000000000 0.75000000000000 1.008 > 5 56 H 0.66692680787361 0.50000000000000 0.75000000000000 1.008 > 5 57 H 0.33359347454028 0.00026014120694 0.91666666666667 1.008 > 9 58 H 0.83359347454028 0.00026014120694 0.91666666666667 1.008 > 9 59 H 0.33359347454028 0.50026014120694 0.91666666666667 1.008 > 9 60 H 0.83359347454028 0.50026014120694 0.91666666666667 1.008 > 9 61 H 0.49973985879306 0.33333333333333 0.91666666666667 1.008 > 13 62 H 0.99973985879306 0.33333333333333 0.91666666666667 1.008 > 13 63 H 0.49973985879306 0.83333333333333 0.91666666666667 1.008 > 13 64 H 0.99973985879306 0.83333333333333 0.91666666666667 1.008 > 13 65 H 0.16666666666667 0.16640652545972 0.91666666666667 1.008 > 17 66 H 0.66666666666667 0.16640652545972 0.91666666666667 1.008 > 17 67 H 0.16666666666667 0.66640652545972 0.91666666666667 1.008 > 17 68 H 0.66666666666667 0.66640652545972 0.91666666666667 1.008 > 17 69 H 0.33307319212639 0.33307319212639 0.75000000000000 1.008 > 21 70 H 0.83307319212639 0.33307319212639 0.75000000000000 1.008 > 21 71 H 0.33307319212639 0.83307319212639 0.75000000000000 1.008 > 21 72 H 0.83307319212639 0.83307319212639 0.75000000000000 1.008 > 21 73 Al 0.16666666666667 0.33333333333333 0.16666666666667 26.982 > 73 74 Al 0.66666666666667 0.33333333333333 0.16666666666667 26.982 > 73 75 Al 0.16666666666667 0.83333333333333 0.16666666666667 26.982 > 73 76 Al 0.66666666666667 0.83333333333333 0.16666666666667 26.982 > 73 77 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 77 78 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 77 79 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 77 80 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 77 81 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 73 82 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 73 83 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 73 84 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 73 85 Al 0.33333333333333 0.16666666666667 0.33333333333333 26.982 > 77 86 Al 0.83333333333333 0.16666666666667 0.33333333333333 26.982 > 77 87 Al 0.33333333333333 0.66666666666667 0.33333333333333 26.982 > 77 88 Al 0.83333333333333 0.66666666666667 0.33333333333333 26.982 > 77 89 Al 0.33333333333333 0.16666666666667 0.83333333333333 26.982 > 73 90 Al 0.83333333333333 0.16666666666667 0.83333333333333 26.982 > 73 91 Al 0.33333333333333 0.66666666666667 0.83333333333333 26.982 > 73 92 Al 0.83333333333333 0.66666666666667 0.83333333333333 26.982 > 73 93 Al 0.16666666666667 0.33333333333333 0.66666666666667 26.982 > 77 94 Al 0.66666666666667 0.33333333333333 0.66666666666667 26.982 > 77 95 Al 0.16666666666667 0.83333333333333 0.66666666666667 26.982 > 77 96 Al 0.66666666666667 0.83333333333333 0.66666666666667 26.982 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2231399 0.0000000 0.0000000 0.0000000 5.2231399 0.0000000 0.0000000 0.0000000 5.3713339 -------------------------- Born effective charges -------------------------- 1 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 2 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 3 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 4 H -0.6468965 0.0000000 0.0000000 0.0000000 -1.0753110 -0.3587727 -0.0000000 -0.3509414 -0.9255339 5 H -0.9682073 -0.1855089 0.3107063 -0.1855089 -0.7540001 0.1793864 0.3039242 0.1754707 -0.9255339 6 H -0.9682073 0.1855089 -0.3107063 0.1855089 -0.7540001 0.1793864 -0.3039242 0.1754707 -0.9255339 7 Al 2.5833112 -0.4769598 0.0000000 0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 8 Al 2.5833112 0.4769598 0.0000000 -0.4769598 2.5833112 0.0000000 0.0000000 0.0000000 2.7766017 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxz) -0.00000002 (yxz) -0.00000002 (yzx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 1.06, Number of G-points: 297, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 288 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 8.457 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 15.440 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 27.080 ( 0.000 0.000 0.000) 0.000 27.801 ( 0.000 0.000 0.000) 0.000 27.801 ( 0.000 0.000 0.000) 0.000 31.150 ( 0.000 0.000 0.000) 0.000 31.858 ( 0.000 0.000 0.000) 0.000 31.858 ( 0.000 0.000 0.000) 0.000 46.353 ( 0.000 0.000 0.000) 0.000 46.353 ( 0.000 0.000 0.000) 0.000 50.367 ( 0.000 0.000 0.000) 0.000 51.661 ( 0.000 0.000 0.000) 0.000 51.661 ( 0.000 0.000 0.000) 0.000 57.862 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 40.763 23.535 43.565) 64.136 1.193 ( 47.972 27.697 18.167) 58.297 1.495 ( 62.441 36.050 12.075) 73.104 8.444 ( -1.674 -0.966 1.651) 2.542 9.086 ( 6.220 3.591 -35.105) 35.833 10.684 ( -7.688 -4.439 -1.526) 9.008 15.871 ( -15.949 -9.208 93.749) 95.540 17.182 ( -5.550 -3.204 -3.774) 7.437 17.493 ( 0.868 0.501 8.839) 8.895 17.729 ( 16.606 9.587 -2.144) 19.294 19.543 ( -10.647 -6.147 50.340) 51.819 25.422 ( -5.304 -3.062 -1.133) 6.228 27.096 ( 1.320 0.762 0.456) 1.591 27.823 ( 1.232 0.711 2.453) 2.836 31.114 ( -2.776 -1.603 -1.393) 3.495 31.769 ( 8.621 4.978 -41.000) 42.191 31.856 ( -0.024 -0.014 -0.351) 0.352 31.880 ( 12.966 7.486 -40.237) 42.932 46.446 ( 9.724 5.614 -5.617) 12.555 46.451 ( 6.174 3.565 9.249) 11.678 50.455 ( -13.296 -7.676 37.012) 40.069 51.625 ( -1.951 -1.126 -4.527) 5.057 55.709 ( 3.047 1.759 -2.175) 4.136 57.834 ( -2.222 -1.283 -1.179) 2.824 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 39.173 22.616 42.344) 61.960 2.364 ( 46.932 27.096 16.762) 56.725 2.923 ( 58.011 33.493 11.881) 68.031 8.403 ( -3.370 -1.946 3.407) 5.172 8.971 ( -0.625 -0.361 -23.208) 23.219 10.419 ( -14.498 -8.370 -3.193) 17.043 16.169 ( 2.148 1.240 51.362) 51.422 17.093 ( 0.225 0.130 -6.086) 6.092 17.612 ( 2.546 1.470 18.516) 18.748 18.115 ( 19.477 11.245 -5.615) 23.180 19.657 ( 2.115 1.221 19.180) 19.335 25.234 ( -10.542 -6.087 -2.517) 12.431 27.144 ( 2.617 1.511 0.798) 3.125 27.881 ( 1.806 1.043 4.595) 5.046 31.013 ( -4.926 -2.844 -2.744) 6.315 31.682 ( -2.902 -1.676 -8.253) 8.907 31.855 ( 0.161 0.093 -0.288) 0.343 31.941 ( 11.514 6.647 -30.100) 32.905 46.710 ( 18.074 10.435 -10.979) 23.582 46.738 ( 11.910 6.876 17.859) 22.541 50.350 ( -11.505 -6.643 19.721) 23.778 51.518 ( -3.866 -2.232 -9.074) 10.112 55.787 ( 4.480 2.587 0.057) 5.173 57.748 ( -4.516 -2.607 -2.459) 5.765 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 36.648 21.159 40.371) 58.485 3.493 ( 45.240 26.119 14.288) 54.157 4.220 ( 51.036 29.465 11.481) 60.039 8.333 ( -5.299 -3.059 5.362) 8.135 8.772 ( -4.821 -2.783 -21.852) 22.550 10.005 ( -19.908 -11.494 -5.141) 23.555 16.554 ( 7.399 4.272 36.168) 37.163 17.109 ( 4.874 2.814 -8.034) 9.809 17.840 ( 4.929 2.846 28.714) 29.273 18.510 ( 19.345 11.169 -9.421) 24.243 19.890 ( 11.597 6.696 8.388) 15.801 24.919 ( -15.720 -9.076 -4.295) 18.654 27.223 ( 3.960 2.286 0.988) 4.678 27.951 ( 1.311 0.757 6.071) 6.256 30.870 ( -5.715 -3.300 -3.743) 7.587 31.541 ( -6.153 -3.552 -4.345) 8.328 31.863 ( 0.568 0.328 0.355) 0.746 32.017 ( 8.672 5.007 -19.924) 22.299 47.105 ( 24.039 13.879 -15.731) 31.905 47.193 ( 16.671 9.625 25.181) 31.696 50.183 ( -12.856 -7.422 15.410) 21.397 51.340 ( -5.825 -3.363 -13.666) 15.232 55.906 ( 5.616 3.243 1.275) 6.609 57.602 ( -6.791 -3.921 -3.816) 8.721 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 33.321 19.238 37.695) 53.864 4.560 ( 43.033 24.845 10.769) 50.844 5.335 ( 42.177 24.351 10.866) 49.899 8.227 ( -7.935 -4.581 7.773) 12.015 8.487 ( -8.376 -4.836 -22.948) 24.903 9.475 ( -23.714 -13.692 -7.735) 28.455 16.910 ( 6.694 3.865 26.985) 28.070 17.198 ( 7.534 4.350 -9.809) 13.111 18.168 ( 6.120 3.533 35.745) 36.436 18.845 ( 16.404 9.471 -13.669) 23.358 20.297 ( 21.246 12.266 5.480) 25.137 24.477 ( -20.817 -12.019 -6.416) 24.879 27.334 ( 5.389 3.111 1.011) 6.304 28.002 ( -0.371 -0.214 6.476) 6.490 30.728 ( -4.517 -2.608 -3.848) 6.481 31.357 ( -7.856 -4.536 -4.019) 9.922 31.886 ( 1.045 0.603 1.513) 1.935 32.077 ( 5.771 3.332 -13.924) 15.436 47.576 ( 27.185 15.696 -19.439) 36.923 47.777 ( 19.804 11.434 30.593) 38.195 49.965 ( -14.885 -8.594 15.000) 22.813 51.088 ( -8.058 -4.652 -18.327) 20.554 56.052 ( 6.412 3.702 2.285) 7.748 57.399 ( -8.729 -5.040 -5.052) 11.275 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.401 ( 29.316 16.925 34.278) 48.176 5.549 ( 40.509 23.388 6.418) 47.214 6.233 ( 32.104 18.535 9.896) 38.368 8.063 ( -12.270 -7.084 11.764) 18.415 8.120 ( -11.295 -6.521 -24.489) 27.745 8.859 ( -25.518 -14.733 -12.208) 31.895 17.177 ( 3.869 2.234 21.558) 22.016 17.310 ( 7.930 4.579 -11.582) 14.765 18.520 ( 5.032 2.905 36.476) 36.936 19.061 ( 11.436 6.602 -18.426) 22.669 20.905 ( 29.084 16.792 7.274) 34.362 23.909 ( -25.648 -14.808 -8.599) 30.839 27.476 ( 6.724 3.882 0.758) 7.801 28.003 ( -2.965 -1.712 5.540) 6.512 30.639 ( -1.336 -0.772 -2.643) 3.060 31.147 ( -8.595 -4.962 -4.005) 10.702 31.927 ( 1.374 0.793 3.026) 3.417 32.101 ( 3.017 1.742 -10.494) 11.058 48.068 ( 27.679 15.980 -21.718) 38.641 48.432 ( 20.470 11.819 33.599) 41.080 49.703 ( -16.906 -9.760 16.406) 25.500 50.751 ( -10.814 -6.244 -22.987) 26.160 56.221 ( 7.179 4.145 3.310) 8.926 57.155 ( -9.899 -5.715 -5.847) 12.839 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.202 ( 24.545 14.171 29.481) 40.895 6.448 ( 37.100 21.420 2.262) 42.899 6.866 ( 18.726 10.811 3.539) 21.910 7.716 ( -9.741 -5.624 -21.332) 24.116 7.795 ( -21.914 -12.652 21.178) 32.998 8.206 ( -22.185 -12.808 -21.888) 33.695 17.346 ( 0.371 0.214 18.175) 18.180 17.396 ( 6.297 3.636 -13.481) 15.316 18.823 ( 2.722 1.571 33.246) 33.395 19.126 ( 5.766 3.329 -23.543) 24.466 21.659 ( 32.753 18.910 9.901) 39.094 23.228 ( -29.793 -17.201 -10.343) 35.923 27.640 ( 7.524 4.344 -0.003) 8.688 27.935 ( -5.605 -3.236 3.572) 7.393 30.645 ( 2.759 1.593 -0.402) 3.211 30.933 ( -8.161 -4.712 -3.413) 10.023 31.982 ( 1.324 0.765 4.720) 4.962 32.085 ( 0.786 0.454 -8.279) 8.328 48.538 ( 26.066 15.049 -22.457) 37.553 49.041 ( 10.754 6.209 32.403) 34.701 49.449 ( -11.034 -6.370 20.110) 23.806 50.319 ( -14.030 -8.100 -27.295) 31.741 56.416 ( 8.171 4.717 4.391) 10.407 56.894 ( -10.032 -5.792 -5.951) 13.023 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.820 ( -15.392 -8.887 -15.003) 23.259 6.820 ( 15.392 8.887 15.003) 23.259 7.263 ( -36.446 -21.042 22.240) 47.599 7.263 ( 36.446 21.042 -22.240) 47.599 7.703 ( -10.988 -6.344 -14.666) 19.392 7.703 ( 10.988 6.344 14.666) 19.392 17.416 ( 3.262 1.883 -15.621) 16.069 17.416 ( -3.262 -1.883 15.621) 16.069 19.037 ( 0.798 0.461 -28.639) 28.654 19.037 ( -0.798 -0.461 28.639) 28.654 22.461 ( -32.533 -18.783 -10.983) 39.138 22.461 ( 32.533 18.783 10.983) 39.138 27.803 ( -7.252 -4.187 1.486) 8.505 27.803 ( 7.252 4.187 -1.486) 8.505 30.753 ( -6.215 -3.588 -1.892) 7.422 30.753 ( 6.215 3.588 1.892) 7.422 32.040 ( -0.663 -0.383 -6.465) 6.510 32.040 ( 0.663 0.383 6.465) 6.510 48.949 ( 22.259 12.851 -22.389) 34.087 48.949 ( -22.259 -12.851 22.389) 34.087 49.797 ( -16.310 -9.416 -30.068) 35.479 49.797 ( 16.310 9.416 30.068) 35.479 56.641 ( -9.283 -5.359 -5.375) 11.991 56.641 ( 9.283 5.359 5.375) 11.991 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 32.734 19.461) 38.082 1.090 ( 0.000 31.839 36.208) 48.216 2.180 ( 0.000 74.673 56.614) 93.708 8.385 ( -0.000 -4.709 -4.714) 6.663 8.940 ( -0.000 19.994 -29.163) 35.359 10.673 ( 0.000 -8.492 -2.728) 8.920 16.428 ( 0.000 -42.544 83.300) 93.535 17.249 ( 0.000 -3.930 3.526) 5.280 17.387 ( 0.000 -5.995 -1.066) 6.089 17.749 ( -0.000 21.575 0.001) 21.575 20.034 ( 0.000 -53.547 93.408) 107.667 25.413 ( 0.000 -6.005 -2.128) 6.371 27.102 ( 0.000 1.606 1.231) 2.024 27.849 ( 0.000 1.515 5.249) 5.463 31.101 ( -0.000 -3.213 -2.795) 4.259 31.222 ( -0.000 70.458 -104.053) 125.664 31.834 ( -0.000 -0.760 -2.383) 2.501 31.843 ( -0.000 -0.302 -1.780) 1.806 46.326 ( -0.000 -0.246 -3.921) 3.929 46.595 ( 0.000 17.837 10.482) 20.689 50.759 ( 0.000 -27.418 44.918) 52.625 51.657 ( -0.000 0.326 -1.009) 1.061 55.597 ( -0.000 -0.570 -8.924) 8.942 57.823 ( -0.000 -2.581 -2.343) 3.486 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 48.059 11.842 32.626) 59.282 1.935 ( 36.970 34.284 12.017) 51.832 3.313 ( 9.645 69.914 52.531) 87.980 8.327 ( 3.597 -9.122 -5.565) 11.275 8.925 ( -3.586 11.168 -18.869) 22.218 10.490 ( -7.639 -11.392 -3.833) 14.241 16.510 ( -3.140 -12.007 54.936) 56.321 17.025 ( -7.009 -4.871 -2.039) 8.775 17.679 ( 20.289 -0.503 4.044) 20.694 17.969 ( 1.365 22.734 2.158) 22.877 19.937 ( -13.536 -14.666 46.838) 50.913 25.279 ( -5.498 -8.833 -3.281) 10.909 27.142 ( 1.097 2.565 1.932) 3.394 27.911 ( 0.648 1.898 7.398) 7.665 31.009 ( -2.711 -4.740 -5.108) 7.477 31.472 ( 17.195 29.446 -50.549) 60.975 31.758 ( -3.295 -3.437 -2.227) 5.256 31.861 ( 1.838 2.627 -4.538) 5.556 46.391 ( 11.542 -0.592 -5.447) 12.776 46.924 ( 4.437 25.567 14.857) 29.901 50.644 ( -13.110 -13.284 29.828) 35.185 51.567 ( -7.793 1.889 -6.073) 10.059 55.632 ( 10.148 -2.984 -7.494) 12.963 57.755 ( -2.284 -3.937 -3.599) 5.803 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 46.063 0.643 45.710) 64.897 3.034 ( 51.326 33.515 -9.926) 62.098 4.459 ( 13.110 62.566 46.866) 79.264 8.240 ( 3.732 -14.108 -7.538) 16.425 8.809 ( -8.867 7.614 -13.340) 17.736 10.157 ( -14.810 -12.515 -4.925) 20.006 16.763 ( 2.808 1.271 40.930) 41.045 16.928 ( 3.363 -5.703 -4.416) 7.959 18.031 ( 11.901 7.466 11.945) 18.440 18.285 ( 10.005 20.147 0.736) 22.506 19.942 ( -2.734 0.682 22.431) 22.607 25.016 ( -11.069 -11.617 -4.824) 16.755 27.212 ( 2.092 3.514 2.522) 4.805 27.991 ( 0.647 1.564 8.939) 9.097 30.867 ( -3.509 -6.349 -5.705) 9.229 31.590 ( -5.134 2.725 -8.875) 10.609 31.724 ( 10.779 4.141 -16.559) 20.188 31.903 ( 2.494 6.703 -8.152) 10.845 46.628 ( 21.797 -0.923 -7.185) 22.969 47.407 ( 7.448 31.353 18.921) 37.370 50.459 ( -15.229 -9.637 23.941) 29.966 51.382 ( -9.610 2.079 -12.499) 15.903 55.756 ( 11.886 -2.397 -5.099) 13.154 57.626 ( -4.599 -5.310 -4.965) 8.602 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 45.442 0.869 37.105) 58.673 4.127 ( 50.198 26.226 -8.499) 57.271 5.515 ( 12.683 53.821 41.267) 68.996 8.073 ( 3.157 -19.947 -12.911) 23.970 8.628 ( -13.016 6.533 -7.109) 16.206 9.700 ( -21.194 -11.822 -6.067) 25.015 16.956 ( 9.766 -5.531 -6.124) 12.785 17.076 ( 2.816 5.380 32.112) 32.681 18.378 ( 9.033 9.158 17.325) 21.578 18.666 ( 9.598 20.834 0.952) 22.958 20.149 ( 11.543 7.107 10.395) 17.082 24.622 ( -16.560 -14.419 -6.792) 22.984 27.311 ( 3.155 4.401 2.898) 6.142 28.061 ( -0.615 0.546 9.503) 9.538 30.713 ( -2.776 -6.216 -5.920) 9.022 31.420 ( -7.899 -4.114 -4.281) 9.882 31.836 ( 6.180 2.497 -6.037) 8.992 31.974 ( 3.509 9.093 -11.462) 15.045 47.003 ( 29.327 -0.820 -9.375) 30.800 47.998 ( 9.350 34.265 22.718) 42.162 50.236 ( -16.279 -10.864 22.068) 29.496 51.134 ( -11.470 2.395 -17.927) 21.417 55.915 ( 11.864 -0.971 -2.887) 12.249 57.438 ( -6.689 -6.529 -6.290) 11.267 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.894 ( 43.918 -0.995 31.568) 54.096 5.113 ( 45.680 22.712 -10.478) 52.079 6.411 ( 9.153 43.367 35.420) 56.737 7.796 ( 1.521 -23.969 -19.385) 30.864 8.420 ( -15.901 4.785 0.544) 16.614 9.150 ( -26.729 -9.410 -7.747) 29.377 17.055 ( 12.302 -4.605 -7.439) 15.096 17.330 ( 0.400 4.312 25.753) 26.114 18.705 ( 8.533 8.142 12.088) 16.889 18.980 ( 0.792 20.527 5.524) 21.272 20.612 ( 26.322 11.606 7.004) 29.608 24.098 ( -21.737 -17.189 -8.953) 29.122 27.438 ( 4.298 5.104 2.921) 7.284 28.085 ( -3.130 -0.971 8.674) 9.273 30.599 ( -0.051 -4.603 -4.990) 6.789 31.207 ( -8.307 -5.910 -4.058) 10.973 31.918 ( 3.451 2.531 -0.603) 4.322 32.038 ( 1.989 7.541 -10.034) 12.709 47.465 ( 33.347 -0.109 -11.691) 35.337 48.644 ( 9.951 33.881 25.874) 43.776 49.969 ( -16.741 -14.489 21.389) 30.784 50.823 ( -14.547 3.596 -21.954) 26.581 56.098 ( 11.541 0.458 -0.868) 11.582 57.203 ( -8.127 -7.351 -7.288) 13.161 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.767 ( 40.609 -4.526 29.665) 50.494 5.971 ( 40.971 21.551 -17.025) 49.324 6.975 ( 0.244 7.251 9.656) 12.078 7.544 ( 3.081 -0.290 -3.319) 4.538 8.182 ( -19.123 -0.605 9.226) 21.241 8.533 ( -31.048 -4.327 -12.409) 33.715 17.169 ( 11.432 -3.458 -9.130) 15.033 17.483 ( -1.920 0.216 21.484) 21.570 18.938 ( 5.883 9.920 -8.552) 14.358 19.167 ( -6.712 15.190 19.231) 25.409 21.310 ( 34.583 14.597 8.413) 38.469 23.454 ( -26.205 -19.723 -10.824) 34.538 27.586 ( 5.227 5.395 2.397) 7.885 28.037 ( -6.143 -2.504 6.541) 9.316 30.574 ( 4.050 -2.219 -2.774) 5.388 30.986 ( -7.735 -6.534 -3.621) 10.753 31.998 ( 2.292 3.412 0.976) 4.225 32.062 ( -0.376 5.429 -6.681) 8.617 47.961 ( 33.809 1.141 -13.494) 36.420 49.267 ( 6.062 26.256 27.617) 38.586 49.669 ( -13.419 -15.402 19.763) 28.423 50.445 ( -19.186 5.703 -23.551) 30.908 56.302 ( 11.469 1.786 1.006) 11.651 56.942 ( -8.546 -7.605 -7.694) 13.787 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.495 ( 28.629 -10.240 17.268) 34.966 6.630 ( 4.198 -21.529 -19.477) 29.333 6.724 ( 30.255 13.023 -20.373) 38.730 7.793 ( -32.739 -18.378 22.145) 43.589 7.898 ( -3.273 24.126 8.175) 25.683 7.969 ( -17.127 16.160 -5.634) 24.212 17.243 ( 7.655 -2.382 -11.193) 13.767 17.534 ( -3.449 -5.225 18.100) 19.153 18.958 ( -3.399 12.221 -25.050) 28.079 19.318 ( -6.805 8.970 27.179) 29.419 22.113 ( 36.100 15.223 9.587) 40.334 22.714 ( -29.354 -21.641 -11.728) 38.308 27.740 ( 5.437 5.033 1.161) 7.500 27.916 ( -8.396 -3.423 4.019) 9.918 30.657 ( 7.894 -0.029 -0.239) 7.898 30.789 ( -5.839 -6.028 -2.433) 8.738 32.034 ( -1.215 3.931 -6.657) 7.826 32.091 ( 0.278 3.717 4.876) 6.137 48.443 ( 31.097 2.675 -14.504) 34.417 49.194 ( -17.085 -24.130 17.334) 34.273 49.937 ( 6.091 23.260 20.463) 31.573 50.008 ( -22.242 8.883 -16.137) 28.879 56.532 ( 11.764 2.954 2.624) 12.410 56.683 ( -7.931 -7.349 -7.453) 13.132 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.945 ( -10.555 -38.451 -32.523) 51.455 6.850 ( -14.206 0.761 -9.273) 16.982 7.209 ( -20.492 -18.416 30.164) 40.853 7.351 ( 30.631 18.545 -24.467) 43.368 7.636 ( -4.893 -0.783 1.429) 5.158 8.403 ( 3.427 27.193 24.319) 36.642 17.231 ( 2.070 -1.885 -13.250) 13.542 17.493 ( -4.118 -10.328 14.420) 18.209 18.791 ( -10.005 11.768 -28.258) 32.204 19.410 ( -9.500 5.560 22.620) 25.156 21.923 ( -30.296 -22.345 -11.001) 39.219 22.907 ( 33.900 14.120 9.245) 37.869 27.750 ( -9.185 -3.498 2.020) 10.034 27.871 ( 4.494 3.938 -0.649) 6.010 30.653 ( -2.459 -4.594 -0.900) 5.288 30.827 ( 10.211 1.580 1.957) 10.516 31.995 ( -2.643 2.736 -4.917) 6.217 32.161 ( -0.598 3.506 6.442) 7.359 48.680 ( -11.415 -24.418 -0.031) 26.955 48.909 ( 18.633 -0.735 -4.131) 19.099 49.514 ( -27.871 8.584 -16.065) 33.295 50.451 ( 7.054 20.158 24.392) 32.420 56.447 ( -6.705 -6.883 -6.810) 11.778 56.785 ( 12.087 3.777 3.757) 13.209 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.134 ( -14.911 -41.654 -34.818) 56.300 6.148 ( -44.546 -3.262 -13.104) 46.548 6.767 ( -36.871 -5.722 7.279) 38.015 7.709 ( 19.736 0.472 -7.049) 20.962 8.002 ( 25.567 3.621 7.954) 27.019 8.871 ( 7.932 22.914 19.034) 30.826 17.111 ( -3.685 -2.123 -15.426) 16.001 17.378 ( -4.177 -14.118 10.081) 17.843 18.528 ( -13.867 12.098 -28.536) 33.955 19.367 ( -14.615 1.489 17.206) 22.625 21.157 ( -28.074 -20.726 -8.222) 35.851 23.624 ( 29.920 11.974 7.697) 33.134 27.574 ( -8.735 -2.943 0.874) 9.259 27.952 ( 2.551 2.345 -2.530) 4.290 30.611 ( 1.665 -2.598 1.032) 3.253 31.043 ( 10.962 2.542 2.815) 11.600 31.945 ( -2.793 1.664 -3.132) 4.514 32.211 ( -2.323 2.805 7.538) 8.371 48.145 ( -16.147 -29.513 -1.740) 33.686 48.886 ( -32.061 9.223 -6.435) 33.976 49.365 ( 19.156 3.236 -11.077) 22.364 50.863 ( 5.109 15.237 20.899) 26.364 56.241 ( -5.428 -6.471 -5.994) 10.357 57.050 ( 11.887 3.993 4.095) 13.191 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( -19.569 -42.764 -35.651) 59.015 5.232 ( -50.262 -4.003 -13.016) 52.074 6.012 ( -48.901 -6.516 2.671) 49.406 7.968 ( 15.743 -1.582 -4.924) 16.571 8.467 ( 17.793 4.219 11.139) 21.412 9.349 ( 14.363 17.143 11.826) 25.299 16.875 ( -9.171 -2.900 -19.064) 21.353 17.216 ( -3.002 -15.990 6.391) 17.479 18.232 ( -15.965 13.902 -25.714) 33.307 19.154 ( -19.539 -4.420 12.294) 23.504 20.509 ( -22.806 -15.530 -4.434) 27.946 24.231 ( 25.171 9.254 5.580) 27.393 27.416 ( -7.504 -2.126 0.296) 7.805 27.971 ( 0.302 0.832 -3.577) 3.685 30.666 ( 5.417 -0.892 2.195) 5.912 31.269 ( 10.304 3.142 2.828) 11.137 31.898 ( -2.264 0.566 -1.636) 2.850 32.228 ( -4.208 1.810 8.718) 9.848 47.581 ( -15.308 -25.946 -6.141) 30.745 48.330 ( -37.758 6.556 -1.892) 38.370 49.677 ( 18.791 4.068 -8.830) 21.157 51.177 ( 3.634 10.896 16.513) 20.115 56.064 ( -4.399 -6.127 -5.125) 9.119 57.303 ( 10.829 3.528 3.617) 11.950 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -24.815 -40.927 -34.108) 58.772 4.232 ( -54.781 -4.003 -12.303) 56.288 5.043 ( -59.412 -7.399 1.198) 59.883 8.151 ( 11.378 -1.440 -4.041) 12.159 8.816 ( 10.543 3.964 12.671) 16.954 9.817 ( 18.090 10.970 6.025) 21.998 16.513 ( -13.968 -4.467 -22.924) 27.214 17.070 ( -0.186 -13.847 3.904) 14.388 17.967 ( -15.806 15.799 -19.399) 29.593 18.791 ( -21.705 -10.647 8.399) 25.593 20.041 ( -17.164 -8.089 -2.364) 19.121 24.715 ( 20.217 6.247 3.397) 21.431 27.287 ( -5.961 -1.332 0.008) 6.108 27.942 ( -1.440 -0.104 -3.361) 3.658 30.788 ( 7.543 0.020 2.230) 7.866 31.478 ( 8.752 3.486 2.287) 9.694 31.861 ( -1.349 -0.656 -0.442) 1.564 32.215 ( -5.584 0.870 10.094) 11.568 47.076 ( -13.441 -19.146 -6.865) 24.380 47.749 ( -36.393 3.766 0.527) 36.591 49.949 ( 14.601 3.978 -7.284) 16.795 51.403 ( 2.741 7.198 11.552) 13.884 55.912 ( -3.580 -5.475 -4.049) 7.693 57.520 ( 9.008 2.543 2.560) 9.704 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -31.321 -32.179 -26.768) 52.278 3.175 ( -58.754 -3.090 -9.010) 59.522 3.902 ( -68.694 -6.049 0.466) 68.961 8.280 ( 7.891 -0.917 -2.375) 8.291 9.057 ( 5.855 2.779 10.391) 12.247 10.226 ( 17.683 5.218 2.349) 18.586 16.071 ( -15.967 -4.064 -21.720) 27.262 17.005 ( 3.265 -8.190 2.186) 9.083 17.776 ( -13.408 14.253 -11.117) 22.506 18.353 ( -21.130 -12.276 5.011) 24.946 19.726 ( -13.033 -2.468 -2.926) 13.583 25.074 ( 15.289 3.127 1.491) 15.676 27.190 ( -4.373 -0.652 -0.110) 4.423 27.890 ( -2.287 -0.332 -2.037) 3.081 30.931 ( 7.592 0.284 1.370) 7.720 31.654 ( 6.819 3.273 1.357) 7.684 31.835 ( -0.303 -1.730 0.392) 1.799 32.188 ( -5.590 0.273 10.447) 11.852 46.692 ( -10.664 -10.251 -4.427) 15.441 47.205 ( -31.347 1.583 0.846) 31.399 50.151 ( 10.189 2.761 -5.858) 12.073 51.552 ( 2.257 3.729 6.046) 7.453 55.792 ( -2.801 -3.758 -2.400) 5.265 57.683 ( 6.779 1.299 1.270) 7.018 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -38.054 0.000 0.000) 38.054 2.110 ( -61.719 0.000 0.000) 61.719 2.652 ( -75.587 0.000 0.000) 75.587 8.376 ( 4.985 -0.000 -0.000) 4.985 9.187 ( 3.347 -0.000 -0.000) 3.347 10.526 ( 13.914 -0.000 -0.000) 13.914 15.700 ( -14.491 0.000 0.000) 14.491 17.056 ( 6.822 -0.000 -0.000) 6.822 17.630 ( -9.698 0.000 0.000) 9.698 17.952 ( -19.155 0.000 0.000) 19.155 19.509 ( -9.762 0.000 0.000) 9.762 25.309 ( 10.368 -0.000 -0.000) 10.368 27.126 ( -2.815 0.000 0.000) 2.815 27.842 ( -2.174 0.000 0.000) 2.174 31.052 ( 5.751 -0.000 -0.000) 5.751 31.778 ( 4.821 -0.000 -0.000) 4.821 31.827 ( 0.682 -0.000 -0.000) 0.682 32.153 ( -3.894 0.000 0.000) 3.894 46.476 ( -7.284 0.000 0.000) 7.284 46.754 ( -23.004 0.000 0.000) 23.004 50.275 ( 5.775 -0.000 -0.000) 5.775 51.624 ( 1.912 -0.000 -0.000) 1.912 55.724 ( -1.963 0.000 0.000) 1.963 57.788 ( 4.469 -0.000 -0.000) 4.469 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 31.111 19.074) 36.492 2.093 ( 0.000 27.718 32.414) 42.649 4.245 ( 0.000 68.544 52.615) 86.410 8.141 ( -0.000 -11.370 -10.715) 15.623 8.981 ( -0.000 10.885 -13.303) 17.189 10.408 ( 0.000 -13.639 -3.828) 14.166 16.650 ( 0.000 -8.541 27.738) 29.023 17.263 ( 0.000 -9.416 11.443) 14.819 17.323 ( 0.000 5.424 6.329) 8.335 18.234 ( -0.000 27.252 0.861) 27.265 20.177 ( 0.000 -19.510 45.358) 49.376 25.205 ( 0.000 -11.419 -4.122) 12.140 27.179 ( 0.000 3.765 3.095) 4.874 27.980 ( 0.000 2.280 9.780) 10.043 30.960 ( -0.000 -5.797 -5.678) 8.114 31.343 ( -0.000 32.491 -40.620) 52.016 31.783 ( -0.000 1.114 -5.584) 5.694 31.808 ( -0.000 -0.158 -2.974) 2.978 46.252 ( -0.000 -0.392 -7.026) 7.037 47.268 ( 0.000 31.992 18.784) 37.099 50.790 ( 0.000 -12.789 24.312) 27.470 51.653 ( -0.000 1.036 -1.626) 1.928 55.427 ( -0.000 -4.091 -11.047) 11.780 57.703 ( -0.000 -5.326 -4.794) 7.166 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 34.986 21.242 21.714) 46.332 2.747 ( 23.882 25.995 21.900) 41.542 5.237 ( 4.135 63.155 48.835) 79.941 7.957 ( 2.635 -16.712 -14.362) 22.192 8.956 ( -5.747 8.592 -9.365) 13.948 10.188 ( -7.316 -13.707 -3.911) 16.021 16.713 ( 3.650 -6.068 0.063) 7.081 17.142 ( -8.350 2.877 31.069) 32.300 17.729 ( 22.734 3.060 4.975) 23.472 18.527 ( 1.562 28.647 4.159) 28.990 20.193 ( -7.827 -7.420 31.522) 33.316 25.004 ( -5.877 -13.964 -5.344) 16.065 27.250 ( 0.730 4.922 4.109) 6.453 28.068 ( -0.075 2.167 11.464) 11.667 30.823 ( -3.536 -6.338 -7.380) 10.350 31.505 ( 10.095 16.039 -21.816) 28.898 31.673 ( -6.665 1.392 -6.234) 9.232 31.860 ( 4.158 4.088 -5.915) 8.306 46.296 ( 11.199 -0.580 -7.953) 13.748 47.763 ( 4.061 36.632 21.519) 42.679 50.737 ( -9.733 -9.663 23.118) 26.881 51.541 ( -11.640 3.173 -6.350) 13.633 55.437 ( 13.219 -5.202 -10.594) 17.721 57.592 ( -2.346 -6.735 -6.085) 9.375 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( 42.933 5.484 33.117) 54.498 3.598 ( 36.511 28.900 0.244) 46.565 6.177 ( 4.855 55.407 43.501) 70.611 7.713 ( 2.752 -22.504 -18.603) 29.327 8.854 ( -9.692 6.736 -4.945) 12.797 9.855 ( -14.405 -11.674 -4.441) 19.065 16.696 ( 7.173 -7.004 -8.096) 12.886 17.346 ( -1.698 7.144 35.162) 35.920 18.173 ( 21.653 7.946 -0.002) 23.065 18.907 ( 4.735 28.706 11.228) 31.185 20.214 ( -3.206 1.062 19.113) 19.409 24.669 ( -11.881 -16.569 -7.063) 21.578 27.347 ( 1.336 5.852 4.840) 7.710 28.151 ( -1.046 1.350 12.243) 12.361 30.653 ( -3.107 -6.728 -7.933) 10.856 31.480 ( -6.851 -5.954 -3.201) 9.624 31.714 ( 7.557 11.868 -12.762) 18.995 31.944 ( 3.870 7.361 -7.423) 11.147 46.513 ( 21.100 -0.828 -8.611) 22.805 48.361 ( 6.614 38.873 23.386) 45.844 50.570 ( -16.624 -10.044 25.687) 32.203 51.290 ( -14.505 5.750 -15.048) 21.677 55.599 ( 17.676 -4.665 -8.143) 20.013 57.421 ( -4.573 -7.998 -7.366) 11.796 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.377 ( 41.036 -4.372 40.221) 57.627 4.506 ( 42.946 29.009 -16.355) 54.345 6.942 ( 1.188 33.408 27.941) 43.569 7.428 ( 3.644 -14.458 -13.274) 19.962 8.708 ( -12.411 4.846 -0.213) 13.326 9.428 ( -21.017 -8.427 -5.593) 23.324 16.743 ( 11.928 -6.577 -8.103) 15.849 17.569 ( -3.070 4.634 29.315) 29.837 18.593 ( 15.895 14.541 -3.334) 21.800 19.335 ( 1.122 26.101 19.059) 32.338 20.394 ( 12.765 5.340 9.489) 16.778 24.197 ( -17.641 -19.222 -9.101) 27.632 27.466 ( 2.016 6.431 5.108) 8.457 28.196 ( -3.303 -0.061 11.614) 12.074 30.510 ( -0.490 -5.863 -7.434) 9.480 31.266 ( -8.555 -6.527 -3.477) 11.308 31.863 ( 5.852 7.171 -5.485) 10.759 32.031 ( 2.582 8.001 -7.181) 11.056 46.871 ( 28.537 -0.850 -9.166) 29.985 49.006 ( 7.573 38.432 24.517) 46.211 50.294 ( -21.351 -13.630 25.747) 36.118 51.003 ( -14.701 8.341 -20.142) 26.295 55.821 ( 17.713 -2.966 -5.256) 18.713 57.198 ( -6.314 -8.856 -8.383) 13.732 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.232 ( 39.674 -6.125 34.260) 52.775 5.370 ( 41.841 23.418 -19.090) 51.609 6.801 ( -3.421 -29.535 -22.384) 37.217 7.794 ( 3.643 35.784 27.585) 45.329 8.524 ( -15.412 1.797 5.347) 16.412 8.921 ( -26.864 -4.285 -8.291) 28.439 16.856 ( 13.834 -5.692 -7.909) 16.921 17.679 ( -5.149 -0.467 22.739) 23.320 18.921 ( 6.512 20.070 -8.391) 22.707 19.617 ( -8.880 19.267 22.876) 31.199 20.903 ( 32.140 9.537 6.574) 34.164 23.597 ( -22.699 -21.752 -10.998) 33.307 27.599 ( 2.713 6.486 4.720) 8.468 28.171 ( -6.439 -1.613 9.363) 11.477 30.448 ( 3.822 -3.991 -5.508) 7.802 31.034 ( -8.485 -7.029 -3.208) 11.476 31.987 ( 3.889 6.638 -2.856) 8.206 32.091 ( 0.620 6.430 -4.495) 7.870 47.327 ( 32.813 -0.509 -9.496) 34.163 49.631 ( 4.649 32.866 24.702) 41.376 49.914 ( -20.840 -15.530 19.729) 32.630 50.712 ( -16.998 10.160 -18.045) 26.792 56.066 ( 16.628 -1.065 -2.539) 16.854 56.942 ( -7.183 -9.103 -8.852) 14.588 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.986 ( 32.781 -10.256 21.343) 40.438 6.110 ( 33.645 12.728 -20.859) 41.582 6.282 ( 2.759 -26.073 -20.263) 33.136 8.246 ( -17.433 -1.054 16.232) 23.844 8.292 ( -17.888 10.287 6.452) 21.620 8.409 ( -14.925 19.546 0.850) 24.607 16.980 ( 12.201 -4.572 -8.176) 15.382 17.670 ( -6.567 -5.901 16.959) 19.120 19.072 ( -4.703 22.110 -15.513) 27.415 19.742 ( -10.958 13.806 23.865) 29.668 21.661 ( 38.927 11.223 7.359) 41.175 22.889 ( -26.458 -23.798 -12.089) 37.584 27.735 ( 3.106 5.852 3.558) 7.519 28.066 ( -9.139 -2.625 6.282) 11.397 30.497 ( 8.335 -2.006 -2.786) 9.014 30.817 ( -6.961 -6.727 -2.359) 9.963 32.065 ( -0.299 6.789 -5.647) 8.835 32.145 ( 1.180 4.653 2.364) 5.351 47.831 ( 33.800 0.192 -9.451) 35.097 49.391 ( -23.866 -20.758 11.617) 33.696 50.237 ( 5.669 29.814 22.569) 37.821 50.398 ( -21.302 10.248 -11.798) 26.420 56.327 ( 15.675 0.609 -0.236) 15.689 56.680 ( -7.054 -8.726 -8.636) 14.160 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.550 ( -9.773 -36.499 -30.779) 48.734 6.647 ( 27.522 -7.917 18.635) 34.167 6.826 ( 36.098 16.774 -17.522) 43.491 7.666 ( -35.087 -11.169 7.313) 37.542 7.959 ( -23.548 5.898 -6.427) 25.112 8.775 ( 0.303 25.344 21.341) 33.133 17.058 ( 7.455 -3.453 -8.954) 12.152 17.560 ( -7.260 -10.370 11.687) 17.229 19.011 ( -13.650 20.061 -18.341) 30.417 19.814 ( -12.176 11.616 21.020) 26.927 22.111 ( -27.447 -24.787 -12.029) 38.890 22.473 ( 37.727 10.503 7.481) 39.870 27.852 ( 2.427 4.311 1.668) 5.221 27.903 ( -10.020 -2.549 3.711) 10.985 30.627 ( 4.303 -2.640 -1.854) 5.378 30.671 ( 3.310 -3.386 0.359) 4.748 32.055 ( -3.126 4.914 -4.522) 7.373 32.235 ( 0.933 4.738 4.357) 6.504 48.329 ( 30.194 0.871 -9.522) 31.672 48.836 ( -21.438 -22.295 4.676) 31.281 50.022 ( -27.196 9.035 -6.871) 29.470 50.721 ( 3.952 24.021 20.866) 32.062 56.436 ( -6.168 -7.920 -7.892) 12.769 56.602 ( 14.974 1.793 1.469) 15.152 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.802 ( -14.911 -35.946 -29.957) 49.110 6.736 ( -30.068 -0.048 -8.911) 31.360 7.243 ( -7.311 -13.929 26.141) 30.509 7.387 ( 15.430 15.006 -23.256) 31.687 7.652 ( 5.110 -1.564 4.468) 6.966 9.124 ( 1.731 19.757 16.322) 25.685 17.041 ( 0.642 -2.632 -9.969) 10.331 17.380 ( -7.166 -12.711 6.770) 16.086 18.811 ( -17.868 16.987 -16.995) 29.944 19.787 ( -17.173 9.123 15.725) 25.009 21.345 ( -26.404 -23.625 -9.603) 36.709 23.224 ( 34.753 8.752 6.100) 36.354 27.718 ( -10.218 -2.213 1.793) 10.607 27.933 ( 1.653 2.770 -0.035) 3.226 30.565 ( 0.078 -3.605 0.010) 3.606 30.864 ( 13.104 0.350 1.193) 13.163 32.011 ( -4.015 3.321 -2.738) 5.886 32.310 ( -0.620 4.071 4.763) 6.296 48.200 ( -21.194 -19.467 -3.727) 29.018 48.850 ( 26.999 0.441 -4.636) 27.397 49.570 ( -31.846 6.445 -2.984) 32.628 51.090 ( 2.009 17.747 17.158) 24.767 56.223 ( -5.213 -6.929 -6.696) 10.956 56.881 ( 14.298 2.315 2.247) 14.658 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( -20.734 -31.581 -26.310) 46.037 5.968 ( -47.534 -1.875 -7.636) 48.180 6.765 ( -41.946 -2.497 4.604) 42.272 7.641 ( 18.571 -0.195 -4.050) 19.009 8.122 ( 29.364 1.333 4.374) 29.718 9.425 ( 5.144 13.822 10.807) 18.284 16.900 ( -7.020 -2.574 -10.731) 13.079 17.174 ( -6.150 -11.635 3.077) 13.515 18.556 ( -18.745 14.086 -13.479) 27.046 19.581 ( -24.194 3.141 9.778) 26.284 20.693 ( -21.158 -17.089 -5.133) 27.678 23.873 ( 29.997 6.159 4.108) 30.897 27.544 ( -9.210 -1.416 0.834) 9.356 27.963 ( 0.147 1.191 -1.239) 1.724 30.578 ( 4.070 -1.898 0.938) 4.588 31.102 ( 13.185 0.970 1.410) 13.295 31.956 ( -4.002 1.835 -1.361) 4.608 32.348 ( -2.302 2.841 4.582) 5.862 47.641 ( -20.445 -16.100 -4.627) 26.431 49.003 ( -33.941 5.290 0.200) 34.351 49.302 ( 21.885 0.435 -4.838) 22.418 51.345 ( 0.867 11.565 12.351) 16.942 56.045 ( -4.431 -5.599 -5.096) 8.772 57.147 ( 13.077 2.056 2.092) 13.402 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -27.169 -21.151 -17.619) 38.678 5.064 ( -53.027 -1.557 -4.918) 53.278 5.960 ( -52.876 -1.932 1.311) 52.928 7.901 ( 14.909 -0.808 -1.697) 15.027 8.604 ( 22.843 1.079 3.681) 23.163 9.704 ( 10.381 7.034 4.908) 13.466 16.629 ( -14.419 -2.574 -9.028) 17.206 17.010 ( -3.693 -6.867 1.175) 7.885 18.301 ( -17.404 9.930 -8.181) 21.644 19.173 ( -27.664 -3.597 4.600) 28.274 20.247 ( -16.789 -6.621 -1.227) 18.089 24.399 ( 24.939 3.161 1.943) 25.214 27.394 ( -7.754 -0.644 0.280) 7.786 27.952 ( -1.211 0.229 -1.207) 1.725 30.667 ( 7.043 -0.677 0.886) 7.131 31.333 ( 12.035 1.072 0.943) 12.120 31.899 ( -3.358 0.513 -0.428) 3.424 32.343 ( -3.590 1.365 3.505) 5.200 47.168 ( -17.792 -9.155 -3.381) 20.293 48.414 ( -38.294 2.150 0.498) 38.358 49.656 ( 19.820 1.119 -2.694) 20.034 51.499 ( 0.721 5.597 6.536) 8.635 55.905 ( -3.922 -3.457 -2.889) 5.973 57.379 ( 11.270 1.193 1.221) 11.399 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -32.607 0.000 0.000) 32.607 4.113 ( -56.956 0.000 0.000) 56.956 4.984 ( -62.096 0.000 0.000) 62.096 8.109 ( 11.130 -0.000 -0.000) 11.130 8.934 ( 13.919 -0.000 -0.000) 13.919 9.973 ( 15.789 -0.000 -0.000) 15.789 16.297 ( -18.689 0.000 0.000) 18.689 16.944 ( -0.284 0.000 0.000) 0.284 18.057 ( -15.100 0.000 0.000) 15.100 18.705 ( -25.833 0.000 0.000) 25.833 19.948 ( -15.348 0.000 0.000) 15.348 24.797 ( 20.020 -0.000 -0.000) 20.020 27.275 ( -6.116 0.000 0.000) 6.116 27.920 ( -2.063 0.000 0.000) 2.063 30.799 ( 8.316 -0.000 -0.000) 8.316 31.529 ( 9.986 -0.000 -0.000) 9.986 31.852 ( -2.230 0.000 0.000) 2.230 32.296 ( -4.216 0.000 0.000) 4.216 46.840 ( -14.403 0.000 0.000) 14.403 47.791 ( -36.598 0.000 0.000) 36.598 49.943 ( 14.583 -0.000 -0.000) 14.583 51.562 ( 1.336 -0.000 -0.000) 1.336 55.817 ( -3.429 0.000 0.000) 3.429 57.560 ( 9.081 -0.000 -0.000) 9.081 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 27.761 17.539) 32.837 2.938 ( 0.000 21.752 26.625) 34.381 6.094 ( 0.000 59.048 46.107) 74.916 7.658 ( -0.000 -20.695 -18.090) 27.487 9.030 ( -0.000 7.499 -8.180) 11.097 10.096 ( 0.000 -13.398 -2.474) 13.625 16.600 ( -0.000 -6.387 -9.793) 11.691 17.467 ( 0.000 0.150 33.573) 33.574 17.605 ( 0.000 13.482 8.949) 16.182 18.807 ( -0.000 29.697 1.962) 29.762 20.376 ( 0.000 -6.947 28.894) 29.717 24.873 ( 0.000 -16.259 -6.211) 17.405 27.328 ( 0.000 6.264 5.441) 8.297 28.168 ( 0.000 2.330 13.355) 13.556 30.745 ( -0.000 -7.169 -8.577) 11.179 31.449 ( -0.000 11.366 -13.565) 17.698 31.769 ( -0.000 0.288 -3.450) 3.462 31.774 ( -0.000 9.376 -11.107) 14.535 46.146 ( -0.000 -0.378 -8.650) 8.659 48.241 ( 0.000 40.007 23.530) 46.414 50.862 ( 0.000 -6.967 18.720) 19.975 51.662 ( -0.000 2.133 -1.665) 2.706 55.183 ( -0.000 -5.471 -12.923) 14.033 57.499 ( -0.000 -8.154 -7.230) 10.898 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 25.619 20.695 17.798) 37.435 3.441 ( 18.020 19.281 18.954) 32.492 6.912 ( 0.478 50.597 40.022) 64.514 7.328 ( 1.814 -23.904 -20.310) 31.420 9.008 ( -4.965 6.112 -5.817) 9.790 9.903 ( -7.042 -11.224 -2.001) 13.400 16.481 ( 3.121 -7.478 -12.031) 14.505 17.666 ( -2.377 6.864 32.952) 33.743 17.958 ( 15.855 13.718 6.449) 21.936 19.150 ( 4.443 29.736 4.541) 30.407 20.435 ( -5.835 -1.736 22.605) 23.411 24.608 ( -6.380 -18.609 -7.600) 21.089 27.433 ( 0.262 7.201 6.375) 9.621 28.267 ( -1.047 1.947 14.419) 14.587 30.589 ( -2.981 -6.877 -9.662) 12.228 31.471 ( -0.533 -2.047 -4.165) 4.671 31.704 ( -0.971 9.318 -8.779) 12.839 31.888 ( 5.516 8.153 -8.288) 12.868 46.182 ( 10.977 -0.413 -8.721) 14.026 48.812 ( 3.305 41.033 24.310) 47.808 50.849 ( -8.073 -6.495 20.808) 23.245 51.535 ( -14.895 4.399 -6.636) 16.889 55.190 ( 15.332 -5.572 -11.816) 20.143 57.346 ( -2.315 -9.391 -8.327) 12.763 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 35.992 8.866 22.393) 43.307 4.106 ( 29.108 19.761 4.635) 35.486 6.882 ( -1.501 -28.749 -22.981) 36.836 7.682 ( 2.633 43.091 33.788) 54.822 8.922 ( -8.325 4.607 -2.293) 9.787 9.618 ( -14.085 -8.063 -2.798) 16.469 16.442 ( 9.038 -7.191 -10.328) 15.494 17.852 ( -4.467 3.992 26.183) 26.860 18.465 ( 19.297 20.149 5.591) 28.454 19.588 ( 8.948 28.313 8.599) 30.913 20.453 ( -4.906 1.533 16.000) 16.805 24.203 ( -12.813 -21.012 -9.390) 26.340 27.551 ( 0.427 7.572 6.751) 10.153 28.335 ( -3.281 0.914 14.109) 14.515 30.421 ( -1.869 -5.870 -9.632) 11.434 31.323 ( -7.694 -6.044 -2.859) 10.193 31.806 ( 5.758 8.276 -5.343) 11.410 32.006 ( 4.374 8.259 -7.358) 11.894 46.394 ( 20.684 -0.469 -8.349) 22.310 49.427 ( 5.202 39.551 24.052) 46.581 50.699 ( -18.869 -10.376 27.729) 35.108 51.234 ( -17.301 9.075 -17.797) 26.428 55.401 ( 21.751 -4.612 -8.709) 23.879 57.141 ( -4.302 -10.160 -9.153) 14.336 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( 37.519 -4.195 31.847) 49.391 4.835 ( 35.485 23.467 -14.114) 44.823 6.394 ( -2.906 -32.833 -25.724) 41.812 8.288 ( 0.782 35.918 27.790) 45.420 8.794 ( -11.111 2.782 2.408) 11.705 9.240 ( -20.813 -4.601 -4.708) 21.829 16.514 ( 13.634 -6.236 -8.376) 17.174 17.909 ( -7.045 -0.160 18.524) 19.819 18.994 ( 11.141 26.182 3.998) 28.733 20.040 ( 1.004 23.896 15.876) 28.707 20.577 ( 14.063 2.587 7.274) 16.043 23.659 ( -18.706 -23.311 -11.150) 31.900 27.674 ( 0.658 7.292 6.381) 9.712 28.336 ( -6.582 -0.514 11.868) 13.581 30.316 ( 2.052 -4.192 -7.990) 9.254 31.098 ( -9.178 -6.424 -2.810) 11.550 31.957 ( 5.825 6.977 -2.482) 9.422 32.098 ( 2.536 6.702 -5.449) 9.003 46.754 ( 28.066 -0.390 -7.685) 29.102 50.028 ( 5.046 35.233 22.706) 42.218 50.327 ( -28.859 -13.418 22.924) 39.223 50.968 ( -13.711 11.207 -16.925) 24.495 55.695 ( 22.130 -2.875 -5.388) 22.957 56.900 ( -5.613 -10.187 -9.410) 14.961 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( 34.285 -10.176 29.152) 46.139 5.547 ( 35.066 19.055 -22.860) 45.993 5.863 ( -1.192 -30.162 -22.280) 37.517 8.583 ( -13.436 3.377 5.526) 14.915 8.724 ( -18.278 6.089 7.836) 20.799 8.833 ( -10.846 17.461 7.285) 21.808 16.658 ( 14.849 -4.952 -6.889) 17.102 17.846 ( -9.164 -4.029 12.812) 16.259 19.336 ( -3.392 27.951 -2.375) 28.256 20.214 ( -11.574 15.045 20.071) 27.626 21.133 ( 37.656 7.200 4.062) 38.552 22.995 ( -23.396 -25.154 -12.245) 36.470 27.789 ( 0.871 6.310 5.167) 8.202 28.248 ( -9.744 -1.659 8.177) 12.828 30.320 ( 6.991 -2.348 -4.995) 8.907 30.870 ( -8.527 -6.127 -2.259) 10.740 32.090 ( 2.726 7.201 -3.143) 8.316 32.163 ( 2.225 4.233 -1.026) 4.890 47.220 ( 32.465 -0.138 -6.785) 33.167 49.762 ( -32.071 -14.368 11.677) 37.031 50.575 ( 4.703 29.663 20.525) 36.377 50.747 ( -16.068 9.530 -9.199) 20.823 56.011 ( 20.578 -1.096 -2.545) 20.764 56.649 ( -6.076 -9.376 -8.887) 14.276 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.208 ( -9.124 -30.500 -25.827) 40.994 6.165 ( 33.410 -7.982 20.190) 39.844 6.267 ( 36.491 14.518 -14.582) 41.893 8.189 ( -32.798 -8.006 5.339) 34.180 8.349 ( -19.686 6.634 -6.807) 21.860 9.126 ( -1.297 20.575 17.078) 26.771 16.810 ( 12.310 -3.606 -5.961) 14.145 17.689 ( -10.648 -6.737 8.170) 15.017 19.386 ( -15.209 22.576 -7.704) 28.290 20.278 ( -12.227 14.960 19.251) 27.274 21.898 ( 39.120 4.636 2.387) 39.466 22.262 ( -23.409 -23.967 -10.450) 35.095 27.884 ( 0.829 4.706 3.266) 5.788 28.088 ( -11.388 -1.988 4.652) 12.461 30.437 ( 10.945 -0.929 -2.165) 11.196 30.679 ( -6.112 -5.068 -1.254) 8.038 32.125 ( -2.063 5.129 -3.758) 6.685 32.264 ( 3.384 4.003 2.404) 5.767 47.742 ( 33.649 0.245 -5.707) 34.131 49.133 ( -31.292 -14.325 4.246) 34.676 50.478 ( -21.212 7.309 -4.161) 22.819 51.010 ( 3.003 22.644 16.980) 28.462 56.329 ( 18.482 0.190 -0.610) 18.493 56.414 ( -5.505 -7.772 -7.428) 12.078 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.589 ( -14.244 -25.721 -21.422) 36.378 6.691 ( 24.172 -2.989 6.598) 25.234 6.923 ( 35.554 8.292 -7.115) 37.195 7.563 ( -34.730 -5.975 3.403) 35.404 7.989 ( -25.358 2.451 -2.112) 25.563 9.364 ( -0.465 13.890 11.409) 17.981 16.909 ( 6.587 -2.424 -5.295) 8.792 17.472 ( -11.123 -7.284 4.310) 13.977 19.214 ( -20.055 14.961 -7.931) 26.247 20.299 ( -17.125 16.266 15.235) 28.106 21.470 ( -24.769 -25.845 -11.601) 37.631 22.700 ( 39.275 5.444 4.017) 39.854 27.893 ( -11.066 -1.174 1.915) 11.292 27.949 ( 0.032 2.375 1.585) 2.856 30.549 ( -1.942 -2.610 -0.698) 3.327 30.641 ( 12.796 -0.866 0.051) 12.826 32.096 ( -3.762 3.129 -2.115) 5.331 32.359 ( 1.764 3.252 2.513) 4.472 48.244 ( 23.036 -0.451 -5.054) 23.589 48.534 ( -19.797 -11.233 0.929) 22.781 50.115 ( -27.163 4.817 -1.368) 27.621 51.318 ( 1.213 14.946 12.280) 19.381 56.211 ( -5.355 -5.769 -5.617) 9.670 56.641 ( 17.204 0.915 0.678) 17.242 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( -19.760 -15.867 -13.219) 28.583 6.655 ( -35.356 -0.230 -3.264) 35.507 7.293 ( 7.718 -8.306 16.515) 20.032 7.373 ( -7.033 8.762 -15.850) 19.429 7.674 ( 13.601 -0.526 2.013) 13.759 9.527 ( 1.569 7.138 5.748) 9.298 16.909 ( -1.210 -1.475 -3.968) 4.403 17.247 ( -10.097 -4.934 1.555) 11.345 18.938 ( -20.462 7.847 -5.143) 22.511 20.146 ( -27.863 11.067 8.482) 31.157 20.820 ( -17.953 -17.388 -6.681) 25.870 23.389 ( 35.198 2.964 2.123) 35.386 27.705 ( -10.628 -0.741 0.722) 10.678 27.971 ( -0.156 0.994 0.078) 1.009 30.518 ( 1.261 -1.322 0.147) 1.833 30.876 ( 14.495 0.030 0.360) 14.499 32.039 ( -4.489 1.412 -0.835) 4.780 32.411 ( -0.173 1.762 1.767) 2.501 47.900 ( -25.693 -7.021 -1.821) 26.698 48.817 ( 29.009 0.224 -1.665) 29.058 49.640 ( -32.741 2.201 -0.168) 32.815 51.492 ( 0.053 7.224 6.531) 9.739 56.054 ( -4.890 -3.194 -3.036) 6.583 56.930 ( 15.474 0.793 0.755) 15.513 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -24.842 0.000 0.000) 24.842 5.901 ( -48.697 0.000 0.000) 48.697 6.771 ( -43.630 0.000 0.000) 43.630 7.613 ( 18.324 -0.000 -0.000) 18.324 8.162 ( 30.308 -0.000 -0.000) 30.308 9.631 ( 4.861 -0.000 -0.000) 4.861 16.797 ( -9.227 0.000 0.000) 9.227 17.076 ( -7.426 0.000 0.000) 7.426 18.629 ( -18.907 0.000 0.000) 18.907 19.687 ( -32.241 0.000 0.000) 32.241 20.467 ( -14.606 0.000 0.000) 14.606 23.959 ( 30.037 -0.000 -0.000) 30.037 27.536 ( -9.307 0.000 0.000) 9.307 27.967 ( -0.762 0.000 0.000) 0.762 30.564 ( 4.743 -0.000 -0.000) 4.743 31.119 ( 13.974 -0.000 -0.000) 13.974 31.967 ( -4.369 0.000 0.000) 4.369 32.407 ( -1.991 0.000 0.000) 1.991 47.452 ( -22.203 0.000 0.000) 22.203 49.062 ( -36.888 0.000 0.000) 36.888 49.274 ( 25.186 -0.000 -0.000) 25.186 51.545 ( -0.135 0.000 0.000) 0.135 55.950 ( -4.469 0.000 0.000) 4.469 57.180 ( 13.476 -0.000 -0.000) 13.476 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 0.000 22.398 14.380) 26.617 3.580 ( 0.000 15.193 19.736) 24.907 6.907 ( -0.000 -29.117 -24.010) 37.740 7.635 ( 0.000 46.762 37.062) 59.668 9.067 ( -0.000 5.171 -5.797) 7.769 9.854 ( 0.000 -9.631 -0.214) 9.633 16.296 ( -0.000 -8.175 -13.864) 16.094 17.937 ( 0.000 6.769 28.439) 29.234 18.035 ( 0.000 17.877 9.859) 20.415 19.426 ( -0.000 30.043 4.361) 30.358 20.607 ( 0.000 -0.492 20.422) 20.428 24.423 ( 0.000 -20.618 -8.612) 22.344 27.548 ( 0.000 8.032 7.284) 10.843 28.391 ( 0.000 2.119 15.823) 15.965 30.483 ( -0.000 -7.071 -11.143) 13.197 31.447 ( -0.000 -0.107 -3.125) 3.126 31.736 ( -0.000 0.580 -3.379) 3.429 31.872 ( -0.000 13.486 -10.793) 17.273 46.034 ( -0.000 -0.210 -8.461) 8.464 49.333 ( 0.000 40.862 24.194) 47.487 50.975 ( 0.000 -3.467 16.179) 16.546 51.696 ( -0.000 3.151 -1.215) 3.377 54.916 ( -0.000 -5.247 -13.115) 14.125 57.215 ( -0.000 -10.518 -9.121) 13.922 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 19.841 16.253 13.426) 28.950 3.950 ( 14.946 12.829 13.415) 23.832 6.455 ( -0.860 -31.301 -25.226) 40.210 8.268 ( 0.322 39.257 31.100) 50.084 9.047 ( -3.915 4.107 -3.861) 6.863 9.713 ( -7.106 -7.208 -0.131) 10.123 16.179 ( 5.273 -7.652 -12.069) 15.232 18.107 ( -4.661 5.538 19.294) 20.608 18.426 ( 15.488 19.846 13.076) 28.367 19.784 ( 4.354 29.069 5.751) 29.950 20.678 ( -5.595 1.810 16.940) 17.931 24.099 ( -6.912 -22.550 -10.010) 25.622 27.672 ( -0.190 8.108 7.497) 11.045 28.490 ( -2.394 1.675 15.907) 16.173 30.330 ( -1.580 -6.080 -11.569) 13.164 31.373 ( -5.659 -3.597 -2.194) 7.056 31.758 ( 4.217 3.666 -3.269) 6.474 31.974 ( 3.706 10.311 -7.931) 13.526 46.075 ( 10.882 -0.148 -7.654) 13.305 49.885 ( 2.480 38.178 22.873) 44.575 50.990 ( -6.830 -4.371 19.246) 20.884 51.548 ( -18.531 5.296 -6.827) 20.446 54.949 ( 17.411 -4.587 -10.947) 21.072 57.034 ( -2.127 -11.046 -9.551) 14.757 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 30.347 7.030 15.115) 34.624 4.468 ( 25.257 12.648 3.129) 28.420 5.968 ( -2.362 -31.474 -24.843) 40.167 8.768 ( -1.208 29.237 21.570) 36.353 8.984 ( -6.340 4.617 1.935) 8.078 9.472 ( -14.253 -4.565 -1.359) 15.028 16.187 ( 11.320 -6.285 -9.071) 15.810 18.136 ( -7.745 2.230 12.615) 14.970 19.037 ( 20.508 23.160 13.685) 33.827 20.192 ( 9.201 25.122 4.210) 27.083 20.674 ( -8.498 2.671 14.353) 16.893 23.633 ( -13.719 -24.193 -11.372) 30.047 27.787 ( -0.434 7.405 6.925) 10.148 28.523 ( -6.115 0.610 13.801) 15.108 30.199 ( 0.558 -4.289 -10.145) 11.029 31.184 ( -9.356 -4.791 -2.352) 10.771 31.889 ( 7.513 4.401 -1.554) 8.845 32.079 ( 3.328 7.413 -5.819) 9.995 46.297 ( 20.534 -0.104 -6.446) 21.522 50.418 ( 3.580 32.863 20.267) 38.776 50.838 ( -23.638 -10.864 28.450) 38.551 51.205 ( -16.791 11.683 -19.952) 28.574 55.223 ( 24.809 -3.320 -7.187) 26.041 56.820 ( -3.763 -10.622 -9.314) 14.620 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( 34.107 -3.012 20.371) 39.841 5.055 ( 29.979 14.267 -10.974) 34.967 5.478 ( -2.998 -28.174 -21.269) 35.427 8.828 ( -9.922 2.473 1.085) 10.283 9.105 ( -18.123 2.032 2.592) 18.420 9.197 ( -5.041 17.358 12.904) 22.209 16.315 ( 15.228 -4.585 -6.257) 17.090 18.052 ( -10.404 -0.907 8.260) 13.315 19.629 ( 7.632 27.859 10.136) 30.612 20.641 ( -4.291 18.982 13.439) 23.650 20.657 ( 18.648 -0.063 1.876) 18.742 23.039 ( -19.686 -25.091 -12.045) 34.091 27.882 ( -0.591 5.989 5.510) 8.160 28.458 ( -10.036 -0.561 9.480) 13.816 30.160 ( 5.064 -2.326 -6.731) 8.738 30.959 ( -9.883 -4.630 -2.008) 11.097 32.054 ( 7.242 4.437 -0.358) 8.501 32.153 ( 2.010 4.809 -3.823) 6.464 46.672 ( 27.907 -0.028 -5.023) 28.356 50.313 ( -37.013 -9.477 13.652) 40.573 50.891 ( 3.386 25.356 17.113) 30.778 51.008 ( -11.091 9.223 -9.299) 17.162 55.590 ( 25.130 -1.816 -3.871) 25.491 56.597 ( -4.745 -9.072 -8.160) 13.092 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.959 ( -7.898 -21.773 -18.577) 29.691 5.638 ( 34.399 -5.224 15.762) 38.198 5.713 ( 34.599 10.393 -10.066) 37.503 8.643 ( -17.483 -9.545 17.256) 26.354 8.677 ( -24.689 9.226 -18.412) 32.151 9.418 ( -2.287 14.514 12.022) 18.985 16.511 ( 15.541 -2.880 -4.034) 16.312 17.879 ( -12.448 -2.837 4.931) 13.686 19.839 ( -14.780 21.362 0.983) 25.995 20.711 ( -7.150 13.293 17.950) 23.453 21.263 ( 39.051 3.738 -1.651) 39.264 22.357 ( -23.505 -23.994 -10.994) 35.342 27.948 ( -0.656 4.037 3.454) 5.353 28.302 ( -12.324 -1.080 4.895) 13.305 30.239 ( 9.418 -0.896 -3.065) 9.944 30.752 ( -8.525 -3.593 -1.257) 9.336 32.169 ( 0.276 4.204 -2.444) 4.871 32.226 ( 5.632 2.329 0.677) 6.133 47.157 ( 32.358 0.069 -3.503) 32.547 49.644 ( -38.201 -7.707 4.940) 39.283 50.821 ( -15.032 5.265 -3.219) 16.249 51.250 ( 2.709 17.654 12.193) 21.626 55.970 ( 23.053 -0.554 -1.493) 23.108 56.393 ( -5.158 -6.541 -6.053) 10.297 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.524 ( -12.264 -13.077 -10.866) 20.963 6.223 ( 31.415 -2.016 5.398) 31.939 6.343 ( 36.343 4.363 -3.585) 36.779 8.126 ( -33.729 -2.275 0.910) 33.818 8.381 ( -19.752 1.752 -1.423) 19.881 9.541 ( -1.911 7.181 5.905) 9.491 16.709 ( 12.163 -1.360 -2.212) 12.437 17.653 ( -13.382 -2.686 2.166) 13.820 19.657 ( -21.645 9.205 -1.894) 23.597 20.824 ( -11.604 19.562 14.686) 27.074 21.528 ( -17.762 -23.430 -13.039) 32.163 22.096 ( 34.773 1.315 1.800) 34.844 27.980 ( -0.651 1.920 1.324) 2.421 28.100 ( -12.637 -0.829 1.749) 12.784 30.409 ( 12.432 -0.115 -0.804) 12.459 30.598 ( -5.733 -1.972 -0.420) 6.077 32.163 ( -2.417 1.826 -1.215) 3.263 32.341 ( 4.426 1.609 0.902) 4.795 47.700 ( 33.581 0.135 -1.906) 33.635 48.973 ( -35.618 -5.006 1.011) 35.982 50.548 ( -20.796 2.561 -0.847) 20.970 51.470 ( 1.465 8.627 6.431) 10.860 56.228 ( -5.201 -3.317 -3.204) 6.952 56.330 ( 20.458 0.042 -0.192) 20.459 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( -16.514 0.000 0.000) 16.514 6.702 ( 22.904 -0.000 -0.000) 22.904 6.961 ( 35.525 -0.000 -0.000) 35.525 7.525 ( -34.696 0.000 0.000) 34.696 8.000 ( -25.991 0.000 0.000) 25.991 9.572 ( -0.562 0.000 0.000) 0.562 16.851 ( 5.987 -0.000 -0.000) 5.987 17.423 ( -12.658 0.000 0.000) 12.658 19.321 ( -22.009 0.000 0.000) 22.009 20.805 ( -32.680 0.000 0.000) 32.680 20.886 ( -9.983 0.000 0.000) 9.983 22.778 ( 39.690 -0.000 -0.000) 39.690 27.893 ( -11.869 0.000 0.000) 11.869 27.983 ( -0.455 0.000 0.000) 0.455 30.519 ( -2.270 0.000 0.000) 2.270 30.633 ( 14.201 -0.000 -0.000) 14.201 32.115 ( -3.861 0.000 0.000) 3.861 32.408 ( 2.144 -0.000 -0.000) 2.144 48.203 ( 13.970 -0.000 -0.000) 13.970 48.434 ( -12.828 0.000 0.000) 12.828 50.156 ( -27.093 0.000 0.000) 27.093 51.546 ( 0.422 -0.000 -0.000) 0.422 56.114 ( -5.178 0.000 0.000) 5.178 56.654 ( 17.969 -0.000 -0.000) 17.969 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 0.000 15.434 9.896) 18.334 4.013 ( 0.000 9.173 12.704) 15.669 6.008 ( -0.000 -30.672 -24.518) 39.268 8.786 ( 0.000 31.594 24.510) 39.986 9.094 ( -0.000 3.945 -2.749) 4.808 9.714 ( 0.000 -5.660 1.039) 5.754 15.986 ( -0.000 -7.223 -11.304) 13.415 18.369 ( 0.000 6.900 19.078) 20.287 18.488 ( -0.000 16.393 7.767) 18.140 20.081 ( -0.000 29.387 8.221) 30.516 20.845 ( 0.000 2.597 14.350) 14.583 23.870 ( 0.000 -23.650 -10.843) 26.017 27.797 ( 0.000 7.762 7.303) 10.657 28.630 ( 0.000 1.918 16.413) 16.525 30.211 ( -0.000 -5.731 -12.551) 13.797 31.395 ( -0.000 -1.974 -1.450) 2.449 31.709 ( -0.000 0.526 -2.795) 2.844 31.999 ( -0.000 9.972 -6.403) 11.851 45.938 ( -0.000 -0.002 -6.592) 6.592 50.352 ( 0.000 34.203 20.485) 39.868 51.111 ( 0.000 -1.393 13.072) 13.146 51.752 ( -0.000 3.506 -0.489) 3.539 54.675 ( -0.000 -3.901 -11.068) 11.736 56.885 ( -0.000 -11.133 -9.398) 14.569 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 16.498 9.983 8.301) 20.994 4.271 ( 13.387 7.212 7.585) 16.993 5.569 ( -1.452 -27.554 -21.781) 35.153 9.039 ( -3.008 5.200 -1.211) 6.128 9.228 ( -0.901 21.383 18.058) 28.002 9.611 ( -7.378 -3.800 0.634) 8.324 15.917 ( 6.813 -5.724 -8.526) 12.324 18.384 ( -10.094 4.886 9.616) 14.773 18.926 ( 21.699 14.543 10.862) 28.290 20.412 ( -0.135 26.375 7.780) 27.499 20.909 ( -4.769 3.681 11.788) 13.239 23.508 ( -7.453 -23.849 -11.381) 27.457 27.905 ( -0.514 6.558 6.270) 9.087 28.710 ( -4.172 1.411 14.505) 15.159 30.085 ( 0.269 -4.289 -11.402) 12.185 31.286 ( -8.205 -2.733 -1.641) 8.803 31.775 ( 7.650 1.464 -1.655) 7.963 32.071 ( 2.108 7.107 -4.489) 8.666 45.995 ( 10.883 0.048 -5.138) 12.035 50.783 ( 1.633 27.501 16.691) 32.212 51.136 ( -5.087 -2.898 15.419) 16.493 51.571 ( -22.695 5.267 -5.987) 24.055 54.759 ( 19.383 -2.863 -7.876) 21.117 56.711 ( -1.804 -9.995 -8.412) 13.188 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 26.969 3.517 7.838) 28.304 4.677 ( 23.230 6.440 1.000) 24.127 5.170 ( -3.191 -21.538 -16.589) 27.373 8.981 ( -6.060 1.715 -0.980) 6.374 9.393 ( -14.582 -1.382 0.254) 14.650 9.493 ( -2.016 14.881 12.355) 19.446 15.998 ( 12.912 -3.698 -5.204) 14.404 18.278 ( -11.361 1.510 5.150) 12.565 19.575 ( 29.898 14.634 10.159) 34.803 20.601 ( -5.387 11.509 1.669) 12.816 20.959 ( -3.963 11.337 11.308) 16.495 23.027 ( -14.776 -22.136 -10.748) 28.703 27.980 ( -1.015 4.667 4.485) 6.552 28.681 ( -9.200 0.387 9.513) 13.240 30.022 ( 3.497 -2.272 -7.427) 8.518 31.086 ( -10.570 -2.736 -1.460) 11.015 31.937 ( 9.628 1.844 -0.461) 9.814 32.142 ( 2.211 4.295 -2.909) 5.639 46.236 ( 20.534 0.057 -3.461) 20.824 50.928 ( -30.199 -6.982 19.066) 36.390 51.140 ( -0.944 12.016 7.563) 14.229 51.219 ( -10.103 15.335 -9.496) 20.673 55.105 ( 26.860 -1.643 -4.054) 27.214 56.537 ( -3.141 -7.460 -6.383) 10.308 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( -6.084 -10.950 -9.751) 15.874 5.114 ( 32.111 -1.161 7.048) 32.895 5.195 ( 30.258 4.082 -3.167) 30.696 8.860 ( -9.518 0.359 0.616) 9.545 9.070 ( -21.820 -0.472 -1.237) 21.860 9.624 ( -2.612 7.605 6.316) 10.224 16.199 ( 16.164 -1.692 -2.301) 16.414 18.101 ( -12.862 -0.328 2.303) 13.071 20.226 ( 6.476 20.188 7.850) 22.608 20.572 ( 16.429 -9.392 -1.196) 18.962 21.103 ( -2.236 13.114 6.051) 14.615 22.474 ( -21.221 -16.059 -7.619) 27.681 28.015 ( -1.312 2.353 2.203) 3.480 28.534 ( -12.559 -0.241 3.765) 13.113 30.071 ( 7.406 -0.708 -2.758) 7.935 30.879 ( -10.299 -1.714 -0.771) 10.469 32.110 ( 8.796 1.362 0.113) 8.901 32.188 ( 1.232 1.891 -1.397) 2.654 46.631 ( 27.892 0.042 -1.733) 27.946 50.297 ( -41.365 -3.312 4.371) 41.727 51.050 ( -9.708 3.052 -2.604) 10.504 51.400 ( 2.238 9.871 6.398) 11.974 55.534 ( 26.681 -0.590 -1.394) 26.724 56.390 ( -4.096 -3.870 -3.417) 6.591 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.611 ( -9.418 0.000 0.000) 9.418 5.683 ( 33.317 -0.000 -0.000) 33.317 5.755 ( 34.545 -0.000 -0.000) 34.545 8.641 ( -28.306 0.000 0.000) 28.306 8.668 ( -14.051 0.000 0.000) 14.051 9.634 ( -2.692 0.000 0.000) 2.692 16.457 ( 15.783 -0.000 -0.000) 15.783 17.879 ( -13.809 0.000 0.000) 13.809 20.069 ( -21.633 0.000 0.000) 21.633 21.133 ( -4.778 0.000 0.000) 4.778 21.168 ( 38.542 -0.000 -0.000) 38.542 21.984 ( -20.525 0.000 0.000) 20.525 28.011 ( -1.230 0.000 0.000) 1.230 28.322 ( -13.354 0.000 0.000) 13.354 30.211 ( 10.401 -0.000 -0.000) 10.401 30.708 ( -8.526 0.000 0.000) 8.526 32.194 ( -0.470 0.000 0.000) 0.470 32.256 ( 6.830 -0.000 -0.000) 6.830 47.136 ( 32.344 -0.000 -0.000) 32.344 49.598 ( -40.382 0.000 0.000) 40.382 50.854 ( -14.694 0.000 0.000) 14.694 51.504 ( 1.996 -0.000 -0.000) 1.996 55.955 ( 23.914 -0.000 -0.000) 23.914 56.286 ( -4.809 0.000 0.000) 4.809 ======================= Grid point 91 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( 0.000 7.754 4.916) 9.181 4.256 ( 0.000 4.195 6.121) 7.421 5.227 ( -0.000 -20.853 -16.460) 26.566 9.080 ( -0.000 1.944 -2.331) 3.035 9.522 ( 0.000 16.071 13.368) 20.904 9.649 ( 0.000 -2.538 0.945) 2.708 15.762 ( -0.000 -4.247 -6.275) 7.577 18.650 ( 0.000 3.938 9.352) 10.147 18.817 ( -0.000 9.436 3.825) 10.182 20.731 ( -0.000 24.075 9.638) 25.933 21.036 ( 0.000 2.485 7.781) 8.168 23.284 ( -0.000 -21.151 -10.357) 23.551 28.000 ( 0.000 4.842 4.680) 6.734 28.848 ( 0.000 1.470 12.578) 12.663 29.974 ( -0.000 -3.456 -10.340) 10.902 31.346 ( -0.000 -1.416 -0.912) 1.684 31.689 ( -0.000 0.273 -1.621) 1.643 32.091 ( -0.000 5.084 -2.800) 5.804 45.877 ( -0.000 0.080 -3.565) 3.566 51.089 ( 0.000 19.565 11.821) 22.859 51.224 ( 0.000 -0.400 7.625) 7.635 51.815 ( -0.000 2.982 0.374) 3.005 54.508 ( -0.000 -2.019 -6.499) 6.805 56.591 ( -0.000 -7.890 -6.499) 10.222 ======================= Grid point 92 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 14.967 3.295 2.819) 15.582 4.423 ( 12.837 2.380 2.378) 13.271 4.973 ( -1.944 -11.499 -8.993) 14.727 9.060 ( -2.756 0.869 -1.057) 3.077 9.570 ( -7.675 -1.139 0.375) 7.768 9.692 ( -1.137 8.045 6.692) 10.527 15.767 ( 7.597 -2.130 -3.062) 8.463 18.527 ( -13.392 1.855 3.004) 13.849 19.211 ( 26.470 5.137 3.731) 27.221 20.882 ( -9.548 9.640 4.236) 14.214 21.121 ( 1.760 6.838 5.841) 9.163 22.987 ( -8.165 -13.958 -6.918) 17.588 28.052 ( -0.674 2.539 2.473) 3.608 28.870 ( -6.001 0.678 6.754) 9.060 29.913 ( 2.127 -1.649 -5.612) 6.224 31.234 ( -9.411 -1.034 -0.670) 9.491 31.779 ( 9.244 0.426 -0.585) 9.273 32.129 ( 1.519 2.450 -1.375) 3.193 45.953 ( 10.911 0.051 -1.797) 11.059 51.233 ( -3.192 -1.692 7.826) 8.619 51.284 ( -1.278 9.544 3.449) 10.228 51.614 ( -23.845 3.608 -1.357) 24.154 54.654 ( 20.672 -0.951 -2.893) 20.895 56.487 ( -1.515 -4.306 -3.555) 5.786 ======================= Grid point 93 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( 25.792 -0.000 -0.000) 25.792 4.750 ( 23.273 -0.000 -0.000) 23.273 4.837 ( -4.151 0.000 0.000) 4.151 8.990 ( -5.740 0.000 0.000) 5.740 9.374 ( -15.017 0.000 0.000) 15.017 9.722 ( -2.180 0.000 0.000) 2.180 15.929 ( 13.480 -0.000 -0.000) 13.480 18.324 ( -12.834 0.000 0.000) 12.834 19.785 ( 36.611 -0.000 -0.000) 36.611 20.710 ( -15.706 0.000 0.000) 15.706 21.210 ( 0.262 -0.000 -0.000) 0.262 22.686 ( -15.979 0.000 0.000) 15.979 28.056 ( -1.211 0.000 0.000) 1.211 28.747 ( -10.813 0.000 0.000) 10.813 29.951 ( 5.071 -0.000 -0.000) 5.071 31.049 ( -11.002 0.000 0.000) 11.002 31.951 ( 10.406 -0.000 -0.000) 10.406 32.167 ( 1.868 -0.000 -0.000) 1.868 46.215 ( 20.552 -0.000 -0.000) 20.552 50.974 ( -37.192 0.000 0.000) 37.192 51.182 ( -5.548 0.000 0.000) 5.548 51.445 ( -0.183 0.000 0.000) 0.183 55.064 ( 27.600 -0.000 -0.000) 27.600 56.418 ( -2.843 0.000 0.000) 2.843 ======================= Grid point 108 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 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| 4.162 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.631 ( -0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 15.681 ( 0.000 0.000 0.000) 0.000 18.746 ( -0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 21.077 ( 0.000 0.000 0.000) 0.000 21.110 ( 0.000 0.000 0.000) 0.000 22.963 ( -0.000 0.000 0.000) 0.000 28.078 ( -0.000 0.000 0.000) 0.000 28.950 ( 0.000 0.000 0.000) 0.000 29.867 ( 0.000 0.000 0.000) 0.000 31.325 ( 0.000 0.000 0.000) 0.000 31.681 ( -0.000 0.000 0.000) 0.000 32.124 ( -0.000 0.000 0.000) 0.000 45.855 ( -0.000 0.000 0.000) 0.000 51.269 ( -0.000 0.000 -0.000) 0.000 51.353 ( 0.000 0.000 0.000) 0.000 51.856 ( 0.000 0.000 0.000) 0.000 54.447 ( 0.000 0.000 0.000) 0.000 56.467 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 216 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 -0.000 60.894) 60.894 1.126 ( 0.000 -0.000 60.894) 60.894 1.591 ( 0.000 -0.000 85.668) 85.668 8.431 ( -0.000 0.000 -2.913) 2.913 8.431 ( -0.000 0.000 -2.913) 2.913 10.734 ( -0.000 0.000 -4.499) 4.499 17.344 ( 0.000 0.000 -0.416) 0.416 17.344 ( -0.000 -0.000 -0.416) 0.416 17.436 ( 0.000 0.000 -1.955) 1.955 17.436 ( -0.000 -0.000 -1.955) 1.955 23.535 ( 0.000 -0.000 1.334) 1.334 25.455 ( -0.000 0.000 -3.223) 3.223 27.141 ( 0.000 -0.000 6.652) 6.652 27.873 ( 0.000 -0.000 7.790) 7.790 27.873 ( 0.000 -0.000 7.790) 7.790 31.111 ( -0.000 0.000 -4.181) 4.181 31.836 ( -0.000 0.000 -2.424) 2.424 31.836 ( -0.000 0.000 -2.424) 2.424 46.402 ( 0.000 -0.000 5.345) 5.345 46.402 ( 0.000 -0.000 5.345) 5.345 51.609 ( -0.000 0.000 -5.686) 5.686 51.609 ( -0.000 0.000 -5.686) 5.686 55.588 ( 0.000 -0.000 3.162) 3.162 57.831 ( -0.000 0.000 -3.430) 3.430 ======================= Grid point 217 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 26.428 15.258 32.513) 44.591 2.124 ( 32.897 18.993 54.494) 66.427 2.589 ( 32.697 18.878 73.018) 82.202 8.444 ( 0.346 0.200 -1.647) 1.695 8.548 ( 9.358 5.403 -18.709) 21.605 10.617 ( -7.594 -4.384 -5.743) 10.482 17.062 ( -17.950 -10.363 25.010) 32.483 17.109 ( -7.253 -4.188 -4.206) 9.372 17.635 ( 10.712 6.185 4.466) 13.151 17.674 ( 14.249 8.226 -3.715) 16.867 21.218 ( -95.316 -55.031 91.398) 143.063 25.372 ( -5.428 -3.134 -4.327) 7.616 27.131 ( 0.583 0.337 3.948) 4.005 27.938 ( 0.959 0.554 10.067) 10.128 30.113 ( 89.128 51.458 -69.228) 124.034 31.050 ( -2.783 -1.607 -5.612) 6.467 31.786 ( -2.479 -1.431 -3.586) 4.588 31.829 ( 0.585 0.338 -2.649) 2.734 46.394 ( 3.733 2.155 0.185) 4.315 46.661 ( 11.926 6.885 13.798) 19.494 51.166 ( -26.837 -15.494 23.906) 39.138 51.489 ( -4.117 -2.377 -10.382) 11.419 55.631 ( 3.730 2.153 -2.138) 4.809 57.781 ( -2.307 -1.332 -4.609) 5.324 ======================= Grid point 218 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 44.976 25.967 6.050) 52.285 3.198 ( 34.178 19.733 48.484) 62.516 3.794 ( 36.652 21.161 62.115) 75.163 8.426 ( -1.278 -0.738 -0.996) 1.781 8.536 ( 1.132 0.653 -21.939) 21.978 10.330 ( -14.469 -8.354 -6.343) 17.871 16.986 ( -1.187 -0.685 -5.420) 5.591 17.002 ( -4.072 -2.351 30.745) 31.102 17.957 ( 12.830 7.407 15.803) 21.661 17.993 ( 16.839 9.722 -7.635) 20.889 20.357 ( -32.194 -18.587 53.585) 65.217 25.158 ( -10.968 -6.332 -5.731) 13.901 27.187 ( 2.067 1.194 4.290) 4.909 28.031 ( 1.155 0.667 11.768) 11.843 30.924 ( -4.757 -2.747 -6.940) 8.851 31.079 ( 36.592 21.127 -41.106) 58.949 31.689 ( -3.298 -1.904 -5.386) 6.596 31.834 ( 1.193 0.689 -2.103) 2.514 46.564 ( 12.346 7.128 -4.618) 14.986 47.096 ( 17.083 9.863 21.164) 28.932 50.819 ( -19.144 -11.053 25.326) 33.616 51.297 ( -6.016 -3.473 -15.102) 16.623 55.728 ( 6.563 3.789 -4.315) 8.720 57.670 ( -4.692 -2.709 -5.943) 8.042 ======================= Grid point 219 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 47.164 27.230 -5.899) 54.779 4.230 ( 32.656 18.854 43.368) 57.469 4.952 ( 34.590 19.971 53.306) 66.609 8.353 ( -4.863 -2.808 -23.022) 23.697 8.372 ( -3.017 -1.742 -1.457) 3.776 9.903 ( -20.102 -11.606 -5.686) 23.898 16.979 ( 3.388 1.956 -5.919) 7.095 17.178 ( 2.389 1.380 27.783) 27.920 18.312 ( 16.502 9.528 -12.116) 22.581 18.395 ( 13.524 7.808 28.144) 32.187 20.208 ( -4.908 -2.834 27.753) 28.326 24.810 ( -16.470 -9.509 -7.579) 20.472 27.274 ( 3.178 1.835 4.869) 6.097 28.122 ( 0.025 0.015 12.496) 12.496 30.766 ( -4.976 -2.873 -7.597) 9.526 31.388 ( 4.872 2.813 -14.451) 15.507 31.648 ( 8.705 5.026 -15.628) 18.582 31.859 ( 1.919 1.108 -0.811) 2.359 46.877 ( 18.906 10.915 -8.516) 23.433 47.671 ( 20.811 12.015 26.903) 36.073 50.573 ( -16.855 -9.731 24.114) 30.988 51.034 ( -7.979 -4.607 -19.855) 21.888 55.868 ( 8.110 4.682 -4.089) 10.218 57.498 ( -6.942 -4.008 -7.346) 10.873 ======================= Grid point 220 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.426 ( 45.656 26.359 -13.538) 54.429 5.181 ( 29.683 17.137 38.292) 51.391 5.973 ( 29.067 16.782 46.031) 56.969 8.048 ( -9.144 -5.279 -24.589) 26.760 8.265 ( -5.225 -3.016 -4.394) 7.463 9.375 ( -24.472 -14.129 -2.216) 28.345 17.049 ( 5.702 3.292 -6.129) 8.995 17.405 ( 2.989 1.726 24.867) 25.105 18.562 ( 13.353 7.710 -17.118) 23.039 18.852 ( 8.320 4.803 36.769) 38.003 20.458 ( 15.991 9.233 13.058) 22.616 24.328 ( -21.718 -12.539 -9.734) 26.900 27.388 ( 4.281 2.471 5.165) 7.149 28.171 ( -2.525 -1.458 11.752) 12.108 30.629 ( -2.841 -1.640 -6.791) 7.542 31.264 ( -6.716 -3.877 -6.350) 10.023 31.798 ( 10.327 5.962 -15.317) 19.412 31.910 ( 2.537 1.465 0.949) 3.079 47.290 ( 22.921 13.233 -10.967) 28.649 48.338 ( 22.578 13.035 30.481) 40.109 50.344 ( -17.054 -9.846 24.469) 31.408 50.695 ( -10.198 -5.888 -24.597) 27.270 56.038 ( 8.981 5.185 -2.916) 10.773 57.274 ( -8.634 -4.985 -8.581) 13.154 ======================= Grid point 221 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.319 ( 43.028 24.842 -19.603) 53.412 6.017 ( 25.374 14.650 32.174) 43.516 6.794 ( 20.012 11.554 38.326) 44.753 7.661 ( -10.600 -6.120 -24.778) 27.636 8.067 ( -8.371 -4.833 -12.346) 15.679 8.802 ( -27.436 -15.840 7.396) 32.532 17.142 ( 5.586 3.225 -6.386) 9.077 17.598 ( 0.883 0.510 22.862) 22.885 18.686 ( 8.278 4.780 -22.439) 24.390 19.192 ( 2.294 1.325 36.104) 36.201 21.053 ( 29.706 17.151 9.004) 35.463 23.723 ( -26.357 -15.218 -11.748) 32.624 27.526 ( 5.193 2.998 4.942) 7.770 28.144 ( -5.825 -3.363 9.417) 11.573 30.574 ( 1.139 0.658 -4.210) 4.411 31.060 ( -7.811 -4.510 -5.580) 10.606 31.897 ( 5.854 3.380 -11.143) 13.033 31.982 ( 2.854 1.648 2.809) 4.330 47.754 ( 24.360 14.064 -11.690) 30.461 49.032 ( 21.754 12.559 31.721) 40.462 50.102 ( -18.273 -10.550 25.676) 33.233 50.274 ( -12.775 -7.375 -29.087) 32.614 56.234 ( 9.670 5.583 -1.324) 11.245 57.015 ( -9.337 -5.391 -9.401) 14.305 ======================= Grid point 222 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.108 ( 39.203 22.634 -24.706) 51.571 6.666 ( 16.097 9.294 17.846) 25.768 6.988 ( -14.434 -8.333 -13.814) 21.647 7.631 ( 14.525 8.386 20.708) 26.648 7.742 ( -10.432 -6.023 -16.765) 20.644 8.269 ( -27.794 -16.047 21.699) 38.741 17.205 ( 3.359 1.939 -6.883) 7.900 17.716 ( -2.493 -1.439 21.089) 21.285 18.655 ( 2.740 1.582 -27.570) 27.751 19.411 ( -0.840 -0.485 30.562) 30.578 21.834 ( 33.890 19.566 9.194) 40.198 23.014 ( -29.857 -17.238 -12.932) 36.821 27.675 ( 5.466 3.156 4.029) 7.488 28.029 ( -8.453 -4.881 6.425) 11.686 30.631 ( 5.214 3.010 -0.809) 6.075 30.861 ( -6.894 -3.981 -4.673) 9.231 31.931 ( 2.668 1.540 -8.164) 8.726 32.068 ( 2.713 1.566 4.415) 5.413 48.224 ( 23.368 13.492 -11.003) 29.140 49.626 ( 5.338 3.082 31.536) 32.133 49.769 ( -15.267 -8.815 -32.559) 37.025 49.886 ( -7.000 -4.042 26.032) 27.258 56.456 ( 10.434 6.024 0.326) 12.052 56.750 ( -8.921 -5.150 -9.747) 14.181 ======================= Grid point 223 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.365 ( -19.264 -11.122 -29.134) 36.655 6.664 ( -15.248 -8.804 -26.683) 31.969 6.832 ( 31.349 18.099 -24.378) 43.642 7.675 ( -3.155 -1.822 24.043) 24.318 7.823 ( -16.998 -9.814 21.154) 28.857 8.132 ( 15.070 8.701 26.367) 31.591 17.196 ( -0.327 -0.189 -7.647) 7.656 17.742 ( -6.128 -3.538 19.122) 20.389 18.480 ( -1.847 -1.066 -31.815) 31.887 19.526 ( -4.120 -2.379 24.574) 25.030 22.244 ( -31.488 -18.179 -12.524) 38.455 22.643 ( 32.782 18.926 8.856) 38.875 27.811 ( 4.692 2.709 2.465) 5.952 27.857 ( -9.493 -5.481 4.027) 11.678 30.708 ( -4.326 -2.497 -3.121) 5.890 30.785 ( 7.898 4.560 1.936) 9.323 31.925 ( 0.782 0.451 -5.880) 5.949 32.153 ( 2.011 1.161 5.528) 5.996 48.628 ( 16.387 9.461 -13.091) 23.009 49.228 ( -12.860 -7.425 -30.458) 33.885 49.431 ( -24.427 -14.103 29.233) 40.622 50.312 ( 15.620 9.018 25.997) 31.641 56.503 ( -7.712 -4.453 -9.834) 13.267 56.704 ( 11.116 6.418 1.640) 12.940 ======================= Grid point 224 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.640 ( -27.233 -15.723 -30.984) 44.146 5.950 ( -27.816 -16.060 -35.784) 48.085 7.216 ( -35.256 -20.355 27.440) 49.094 7.363 ( 27.556 15.909 -24.625) 40.235 8.141 ( 12.847 7.418 23.179) 27.520 8.624 ( 15.994 9.234 21.753) 28.536 17.091 ( -4.753 -2.744 -8.485) 10.105 17.679 ( -9.088 -5.247 16.850) 19.851 18.200 ( -4.731 -2.732 -34.483) 34.913 19.517 ( -8.799 -5.080 19.112) 21.644 21.475 ( -30.432 -17.570 -10.030) 36.543 23.392 ( 29.287 16.909 7.422) 34.622 27.666 ( -9.105 -5.257 2.606) 10.832 27.907 ( 2.894 1.671 0.702) 3.415 30.638 ( -0.590 -0.341 -1.254) 1.427 30.993 ( 8.920 5.150 3.341) 10.829 31.901 ( -0.101 -0.058 -4.043) 4.045 32.221 ( 0.772 0.445 6.089) 6.154 48.424 ( -16.202 -9.354 -35.102) 39.776 49.014 ( -28.281 -16.328 28.547) 43.374 49.204 ( 15.550 8.978 -5.462) 18.768 50.771 ( 12.033 6.947 22.099) 26.105 56.286 ( -6.283 -3.627 -10.005) 12.359 56.969 ( 11.261 6.501 2.255) 13.197 ======================= Grid point 225 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( -31.797 -18.358 -32.356) 48.939 5.040 ( -33.317 -19.236 -35.984) 52.678 6.505 ( -43.291 -24.994 27.281) 56.947 7.753 ( 19.695 11.371 -20.161) 30.392 8.543 ( 10.564 6.099 21.106) 24.378 9.123 ( 18.620 10.750 14.644) 26.014 16.877 ( -9.667 -5.581 -9.150) 14.434 17.551 ( -10.542 -6.086 14.337) 18.808 17.869 ( -5.394 -3.114 -34.387) 34.947 19.361 ( -14.173 -8.183 14.348) 21.764 20.784 ( -26.374 -15.227 -5.852) 31.012 24.037 ( 24.770 14.301 5.325) 29.093 27.489 ( -7.858 -4.537 1.857) 9.262 27.948 ( 0.701 0.405 -0.461) 0.931 30.665 ( 3.128 1.806 0.140) 3.614 31.214 ( 8.694 5.020 3.494) 10.630 31.875 ( -0.309 -0.178 -2.618) 2.642 32.259 ( -0.741 -0.428 6.125) 6.184 47.806 ( -18.255 -10.540 -34.323) 40.279 48.520 ( -30.722 -17.737 26.744) 44.426 49.542 ( 14.902 8.604 -0.400) 17.212 51.122 ( 8.513 4.915 17.563) 20.127 56.097 ( -5.019 -2.897 -10.484) 11.979 57.228 ( 10.512 6.069 2.035) 12.307 ======================= Grid point 226 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.827 ( -35.773 -20.654 -32.276) 52.422 4.031 ( -37.418 -21.603 -34.182) 55.092 5.609 ( -51.942 -29.989 29.113) 66.670 8.013 ( 13.382 7.726 -14.812) 21.404 8.865 ( 7.628 4.404 17.230) 19.351 9.625 ( 19.626 11.331 7.980) 24.027 16.545 ( -14.820 -8.556 -8.991) 19.331 17.398 ( -9.908 -5.720 11.705) 16.368 17.570 ( -3.092 -1.785 -29.515) 29.730 19.064 ( -18.866 -10.893 10.247) 24.075 20.236 ( -20.488 -11.829 -1.458) 23.702 24.564 ( 19.914 11.497 3.048) 23.196 27.340 ( -6.258 -3.613 1.383) 7.357 27.938 ( -1.095 -0.632 -0.449) 1.341 30.768 ( 5.542 3.200 0.476) 6.418 31.418 ( 7.740 4.469 2.754) 9.353 31.857 ( -0.146 -0.084 -1.639) 1.647 32.262 ( -2.019 -1.165 5.271) 5.764 47.223 ( -15.865 -9.160 -29.545) 34.764 47.978 ( -31.120 -17.967 23.770) 43.085 49.849 ( 11.632 6.716 3.302) 13.831 51.373 ( 5.721 3.303 12.916) 14.508 55.931 ( -3.900 -2.252 -11.255) 12.122 57.457 ( 8.905 5.141 1.161) 10.348 ======================= Grid point 227 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -38.997 -22.515 -29.529) 53.849 2.959 ( -40.655 -23.472 -28.879) 55.116 4.544 ( -59.859 -34.559 33.528) 76.821 8.186 ( 9.208 5.317 -10.443) 14.903 9.091 ( 4.722 2.726 10.795) 12.093 10.082 ( 17.810 10.283 3.111) 20.800 16.137 ( -17.131 -9.891 -1.947) 19.877 17.267 ( -7.042 -4.066 9.035) 12.156 17.387 ( 0.537 0.310 -21.003) 21.012 18.657 ( -21.622 -12.483 6.616) 25.828 19.846 ( -14.786 -8.537 2.791) 17.300 24.967 ( 15.033 8.679 0.949) 17.384 27.226 ( -4.612 -2.663 1.009) 5.420 27.902 ( -2.056 -1.187 0.740) 2.487 30.903 ( 6.095 3.519 -0.191) 7.041 31.590 ( 6.434 3.715 1.324) 7.547 31.848 ( 0.116 0.067 -1.166) 1.173 32.231 ( -2.745 -1.585 1.079) 3.348 46.753 ( -11.500 -6.640 -22.453) 26.086 47.436 ( -28.750 -16.599 19.884) 38.697 50.103 ( 8.029 4.636 7.840) 12.142 51.541 ( 3.521 2.033 8.280) 9.224 55.786 ( -2.625 -1.515 -12.079) 12.453 57.637 ( 6.778 3.913 -0.022) 7.826 ======================= Grid point 228 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -40.503 -23.384 -19.832) 50.799 1.889 ( -41.900 -24.191 -13.350) 50.190 3.362 ( -65.428 -37.775 41.669) 86.279 8.305 ( 6.343 3.662 -7.159) 10.242 9.185 ( 0.519 0.300 -3.574) 3.624 10.445 ( 13.525 7.809 -0.290) 15.620 15.866 ( -10.095 -5.829 29.422) 31.647 17.207 ( -2.312 -1.335 6.325) 6.866 17.332 ( 3.315 1.914 -11.821) 12.425 18.197 ( -21.654 -12.502 3.233) 25.212 19.623 ( -8.234 -4.754 14.154) 17.051 25.250 ( 10.169 5.871 -0.783) 11.769 27.146 ( -3.006 -1.736 0.838) 3.571 27.864 ( -2.091 -1.207 2.773) 3.677 31.025 ( 4.995 2.884 -1.418) 5.940 31.716 ( 4.590 2.650 -2.165) 5.725 31.846 ( 0.267 0.154 -1.243) 1.281 32.111 ( -5.884 -3.397 -17.606) 18.871 46.445 ( -5.941 -3.430 -13.715) 15.335 46.954 ( -23.382 -13.500 15.381) 31.073 50.325 ( 5.908 3.411 18.165) 19.404 51.634 ( 1.599 0.923 3.644) 4.085 55.669 ( -0.964 -0.556 -12.351) 12.401 57.759 ( 4.492 2.593 -1.226) 5.330 ======================= Grid point 231 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 0.939 51.767) 51.775 2.066 ( 0.000 6.090 59.832) 60.141 3.330 ( 0.000 59.438 66.517) 89.205 8.270 ( -0.000 -7.804 -7.947) 11.138 8.612 ( -0.000 16.346 -10.531) 19.445 10.584 ( -0.000 -7.629 -6.949) 10.319 17.004 ( 0.000 -16.157 1.634) 16.239 17.310 ( 0.000 -1.195 3.171) 3.389 17.481 ( 0.000 -2.067 6.532) 6.851 17.730 ( -0.000 23.716 -1.925) 23.794 21.742 ( 0.000 -104.188 72.588) 126.981 25.345 ( -0.000 -5.950 -5.280) 7.955 27.161 ( 0.000 0.041 5.948) 5.948 28.012 ( 0.000 1.305 12.432) 12.500 29.763 ( -0.000 98.882 -47.566) 109.727 31.011 ( -0.000 -3.262 -7.061) 7.778 31.785 ( -0.000 -1.391 -3.788) 4.035 31.788 ( -0.000 -0.155 -4.257) 4.260 46.313 ( 0.000 -7.126 2.658) 7.606 46.830 ( 0.000 23.530 15.179) 28.001 51.216 ( 0.000 -18.985 6.084) 19.936 51.587 ( -0.000 3.130 -6.675) 7.373 55.536 ( 0.000 -9.059 1.978) 9.273 57.749 ( -0.000 -2.702 -5.679) 6.289 ======================= Grid point 232 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 22.629 18.302 29.172) 41.207 2.826 ( 36.039 -1.033 55.401) 66.100 4.361 ( 6.767 58.909 59.806) 84.219 8.165 ( 5.000 -13.001 -11.852) 18.290 8.657 ( -4.601 14.258 -10.910) 18.533 10.388 ( -7.725 -10.009 -7.310) 14.605 16.878 ( 1.520 -10.884 -3.751) 11.612 17.242 ( -6.403 2.569 18.240) 19.501 17.718 ( 16.915 2.470 -0.503) 17.102 18.021 ( 6.522 24.563 2.476) 25.535 21.015 ( -32.147 -49.078 61.378) 84.908 25.189 ( -5.823 -8.823 -6.469) 12.393 27.213 ( 0.664 1.891 6.431) 6.735 28.110 ( 0.249 1.455 14.227) 14.303 30.573 ( 27.018 48.629 -36.487) 66.528 30.913 ( -0.924 -1.791 -9.556) 9.766 31.693 ( -3.803 -2.542 -4.961) 6.748 31.799 ( 2.229 0.907 -3.940) 4.617 46.341 ( 9.702 -5.676 0.624) 11.257 47.246 ( 5.874 28.773 19.938) 35.495 51.052 ( -6.780 -12.008 9.977) 17.020 51.421 ( -15.428 4.076 -8.184) 17.933 55.539 ( 9.671 -8.166 -1.469) 12.742 57.658 ( -2.417 -4.126 -6.904) 8.398 ======================= Grid point 233 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 36.161 25.427 7.206) 44.790 3.801 ( 43.910 -5.623 49.765) 66.605 5.393 ( 9.185 53.668 52.974) 75.967 8.007 ( 4.453 -18.750 -16.754) 25.536 8.609 ( -8.850 12.579 -9.459) 18.056 10.052 ( -14.678 -11.189 -6.368) 19.524 16.815 ( 5.947 -8.496 -5.178) 11.591 17.379 ( -1.036 8.287 23.722) 25.150 18.029 ( 17.573 5.972 -7.356) 19.964 18.460 ( 12.748 23.701 11.150) 29.130 20.568 ( -20.508 -19.046 43.471) 51.702 24.897 ( -11.792 -11.743 -8.124) 18.518 27.297 ( 1.411 3.009 7.134) 7.870 28.213 ( -0.344 0.771 15.167) 15.191 30.721 ( -1.965 -5.679 -10.089) 11.743 31.191 ( 17.285 26.592 -23.897) 39.711 31.559 ( -3.455 -3.867 -6.198) 8.081 31.834 ( 2.549 2.571 -3.024) 4.717 46.534 ( 18.747 -3.508 -1.830) 19.160 47.810 ( 9.876 31.469 24.240) 40.932 50.881 ( -11.699 -8.200 16.546) 21.860 51.104 ( -16.929 2.496 -15.000) 22.755 55.660 ( 13.539 -4.620 -4.040) 14.865 57.504 ( -4.805 -5.489 -8.253) 11.015 ======================= Grid point 234 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( 39.975 26.058 -6.409) 48.147 4.766 ( 43.756 -7.305 43.689) 62.263 6.333 ( 8.572 45.673 45.743) 65.207 7.741 ( 2.168 -23.174 -21.476) 31.670 8.494 ( -12.217 11.819 -9.458) 19.452 9.616 ( -20.157 -11.688 -2.772) 23.464 16.848 ( 10.155 -7.209 -4.418) 13.214 17.597 ( -1.209 9.123 23.037) 24.807 18.315 ( 14.238 9.407 -12.562) 21.190 19.010 ( 12.874 20.661 21.829) 32.698 20.476 ( -1.889 -4.063 26.411) 26.788 24.466 ( -17.548 -14.626 -10.191) 25.014 27.405 ( 2.121 3.770 7.611) 8.755 28.284 ( -2.539 -0.723 14.617) 14.854 30.574 ( -1.075 -5.588 -9.138) 10.765 31.310 ( -6.535 0.375 -7.895) 10.255 31.596 ( 11.738 10.660 -14.426) 21.437 31.896 ( 2.755 3.855 -1.536) 4.981 46.868 ( 25.511 -1.471 -3.630) 25.810 48.466 ( 12.268 31.911 27.204) 43.691 50.672 ( -19.288 -10.158 18.026) 28.287 50.750 ( -12.378 3.254 -18.565) 22.549 55.841 ( 14.306 -1.487 -4.279) 15.006 57.292 ( -6.799 -6.547 -9.543) 13.422 ======================= Grid point 235 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 40.211 24.762 -15.525) 49.711 5.646 ( 39.813 -7.909 37.339) 55.153 7.040 ( 2.901 15.731 22.972) 27.993 7.444 ( 2.714 -5.713 -9.649) 11.537 8.298 ( -16.774 12.052 -14.253) 25.095 9.135 ( -23.317 -12.636 5.799) 27.147 16.946 ( 11.459 -6.134 -3.607) 13.488 17.772 ( -2.187 4.700 20.395) 21.044 18.517 ( 7.026 13.093 -16.855) 22.470 19.468 ( 1.052 13.271 30.745) 33.503 20.785 ( 22.534 7.605 12.750) 26.985 23.903 ( -22.664 -17.292 -12.263) 31.033 27.532 ( 2.847 4.189 7.543) 9.086 28.280 ( -5.994 -2.693 12.143) 13.807 30.490 ( 2.718 -3.715 -6.619) 8.063 31.113 ( -8.088 -4.028 -6.301) 11.016 31.780 ( 7.064 9.228 -10.880) 15.920 31.979 ( 2.749 4.204 0.463) 5.045 47.303 ( 29.337 0.225 -4.267) 29.647 49.152 ( 12.769 30.030 28.405) 43.263 50.247 ( -18.326 -8.842 -14.616) 25.053 50.528 ( -16.512 -0.701 11.722) 20.262 56.054 ( 14.122 0.894 -3.256) 14.520 57.039 ( -7.947 -7.024 -10.535) 14.949 ======================= Grid point 236 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.528 ( 38.649 22.752 -22.024) 49.965 6.369 ( 29.361 -9.344 22.955) 38.423 6.785 ( -1.283 -30.244 -16.428) 34.441 7.819 ( -2.373 24.435 10.087) 26.542 8.014 ( -15.618 18.237 -4.386) 24.408 8.680 ( -23.953 -14.053 17.961) 33.073 17.051 ( 9.497 -5.214 -3.082) 11.263 17.854 ( -2.642 -2.715 15.947) 16.391 18.589 ( -2.298 16.167 -19.328) 25.303 19.696 ( -6.172 7.372 29.702) 31.219 21.467 ( 35.391 13.787 8.799) 38.987 23.229 ( -26.615 -19.468 -13.657) 35.691 27.669 ( 3.317 4.086 6.755) 8.563 28.180 ( -9.174 -4.309 8.541) 13.254 30.520 ( 7.221 -1.604 -2.806) 7.911 30.904 ( -7.189 -4.571 -5.467) 10.123 31.881 ( 2.563 7.230 -8.137) 11.183 32.075 ( 2.703 3.990 2.642) 5.496 47.790 ( 30.060 1.475 -3.694) 30.322 49.692 ( -12.777 -5.677 -9.555) 16.934 49.838 ( 5.448 20.732 14.184) 25.703 50.299 ( -20.095 -1.757 18.145) 27.132 56.292 ( 13.890 2.669 -1.760) 14.253 56.769 ( -8.000 -6.785 -11.121) 15.288 ======================= Grid point 237 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.033 ( 1.883 -23.787 -30.694) 38.878 6.292 ( 26.425 7.923 -24.265) 36.740 6.894 ( 0.572 2.779 2.825) 4.004 7.596 ( -3.253 -1.008 -3.626) 4.974 8.258 ( -25.826 -14.738 24.525) 38.544 8.397 ( 1.837 27.176 24.956) 36.942 17.109 ( 4.876 -4.620 -2.813) 7.282 17.822 ( -2.595 -10.468 8.788) 13.911 18.523 ( -11.152 17.951 -18.035) 27.782 19.796 ( -8.465 4.544 24.424) 26.246 22.272 ( 36.347 14.096 7.595) 39.718 22.481 ( -28.307 -20.347 -13.316) 37.318 27.798 ( 3.111 3.307 5.265) 6.952 28.006 ( -10.717 -4.920 5.474) 13.001 30.652 ( 9.326 -0.831 -0.275) 9.367 30.735 ( -3.632 -3.167 -3.295) 5.837 31.916 ( -0.382 5.553 -5.852) 8.076 32.175 ( 2.099 3.854 3.889) 5.864 48.273 ( 26.431 2.172 -3.466) 26.746 49.144 ( -16.661 -13.697 -24.847) 32.902 49.979 ( -25.346 -1.913 21.229) 33.118 50.411 ( 9.082 20.476 24.022) 32.844 56.509 ( -6.529 -5.791 -11.221) 14.216 56.552 ( 13.186 3.761 -0.602) 13.725 ======================= Grid point 238 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.353 ( -11.949 -39.386 -31.281) 51.697 6.436 ( -35.293 12.649 -29.256) 47.555 6.885 ( 28.512 18.078 -25.823) 42.504 7.759 ( -24.274 -17.419 29.206) 41.781 7.900 ( 17.408 -10.444 20.815) 29.076 8.813 ( 2.515 22.846 20.115) 30.543 17.081 ( -1.216 -4.598 -2.396) 5.326 17.675 ( -2.389 -15.861 -0.618) 16.052 18.360 ( -17.515 18.403 -12.986) 28.532 19.792 ( -11.820 1.830 18.892) 22.360 21.715 ( -28.233 -20.852 -11.596) 36.965 23.051 ( 33.851 13.209 6.519) 36.917 27.803 ( -10.457 -4.740 3.505) 12.004 27.897 ( 1.865 2.072 3.603) 4.556 30.619 ( -0.807 -2.691 -2.769) 3.944 30.869 ( 11.600 0.962 2.752) 11.961 31.913 ( -1.833 4.182 -3.921) 6.018 32.261 ( 0.812 3.452 4.137) 5.449 48.368 ( -12.898 -8.361 -27.096) 31.153 48.896 ( 19.037 -3.551 -0.277) 19.367 49.605 ( -30.253 -5.163 22.222) 37.891 50.865 ( 6.728 16.322 20.530) 27.077 56.277 ( -5.895 -4.774 -11.806) 14.033 56.823 ( 13.528 4.567 0.434) 14.284 ======================= Grid point 239 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( -17.003 -40.270 -29.704) 52.850 5.658 ( -46.983 12.910 -31.513) 58.027 7.161 ( -37.802 -19.500 26.429) 50.078 7.365 ( 23.471 13.710 -21.420) 34.608 8.341 ( 23.833 -8.876 20.610) 32.735 9.183 ( 5.451 18.320 14.613) 24.060 16.947 ( -7.706 -5.407 -0.970) 9.463 17.443 ( -2.073 -17.114 -8.767) 19.340 18.149 ( -20.733 17.965 -7.225) 28.369 19.653 ( -16.598 -2.275 13.984) 21.822 21.012 ( -24.908 -18.587 -7.513) 31.974 23.736 ( 29.448 10.881 4.453) 31.708 27.608 ( -9.570 -4.041 2.590) 10.706 27.949 ( 0.462 0.673 2.240) 2.384 30.608 ( 3.083 -1.060 -1.410) 3.551 31.096 ( 11.641 1.397 3.157) 12.142 31.893 ( -2.229 2.975 -2.469) 4.462 32.315 ( -0.807 2.677 3.441) 4.434 47.792 ( -18.724 -10.389 -29.689) 36.606 49.107 ( -29.150 -8.542 22.744) 37.947 49.310 ( 16.661 0.546 5.800) 17.650 51.202 ( 4.252 11.369 16.044) 20.118 56.074 ( -4.810 -3.337 -12.339) 13.657 57.092 ( 12.695 4.478 0.425) 13.469 ======================= Grid point 240 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( -22.564 -37.723 -24.562) 50.354 4.753 ( -52.773 13.068 -30.292) 62.237 6.391 ( -48.602 -23.313 30.158) 61.768 7.722 ( 18.904 10.175 -18.315) 28.219 8.741 ( 18.471 -5.693 15.177) 24.575 9.541 ( 10.715 13.164 8.526) 18.995 16.705 ( -14.362 -6.912 2.402) 16.119 17.200 ( -0.226 -14.463 -11.148) 18.262 17.937 ( -20.939 17.993 -3.606) 27.842 19.359 ( -20.846 -8.215 9.941) 24.512 20.446 ( -20.014 -13.568 -2.477) 24.306 24.302 ( 24.582 8.162 2.137) 25.990 27.439 ( -8.054 -3.155 2.028) 8.884 27.957 ( -1.016 -0.401 2.011) 2.288 30.677 ( 6.294 0.026 -0.992) 6.371 31.317 ( 10.457 1.822 2.480) 10.900 31.868 ( -1.908 1.740 -1.557) 3.015 32.324 ( -2.419 1.659 1.369) 3.237 47.230 ( -17.034 -7.050 -26.211) 32.046 48.568 ( -36.298 -10.557 21.675) 43.575 49.679 ( 17.807 0.056 9.247) 20.065 51.429 ( 2.682 6.603 11.042) 13.143 55.899 ( -4.092 -1.418 -12.896) 13.604 57.334 ( 11.149 3.748 -0.286) 11.766 ======================= Grid point 241 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -28.640 -28.863 -12.720) 42.605 3.782 ( -57.171 13.974 -26.727) 64.638 5.455 ( -57.200 -26.387 34.192) 71.674 7.981 ( 13.598 7.533 -13.292) 20.453 9.015 ( 10.972 -3.959 7.424) 13.826 9.901 ( 15.688 7.716 2.872) 17.717 16.396 ( -17.947 -6.147 11.697) 22.287 17.040 ( 2.749 -10.885 -7.768) 13.652 17.765 ( -18.623 19.361 -2.047) 26.942 18.933 ( -22.665 -13.660 7.036) 27.383 20.043 ( -15.619 -8.121 2.509) 17.782 24.746 ( 19.759 5.310 -0.059) 20.460 27.303 ( -6.359 -2.265 1.604) 6.938 27.939 ( -2.000 -0.897 3.000) 3.715 30.794 ( 7.879 0.415 -1.591) 8.049 31.508 ( 8.593 2.253 1.045) 8.944 31.844 ( -1.192 0.367 -1.331) 1.824 32.275 ( -4.187 0.451 -3.901) 5.740 46.782 ( -13.813 -1.657 -20.315) 24.622 47.976 ( -35.663 -11.702 19.488) 42.291 50.008 ( 13.813 -1.158 13.555) 19.388 51.560 ( 2.075 1.822 5.568) 6.215 55.754 ( -3.659 1.572 -12.924) 13.524 57.531 ( 9.088 2.610 -1.375) 9.555 ======================= Grid point 242 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -33.277 -6.008 11.807) 35.817 2.799 ( -59.465 15.747 -18.740) 64.306 4.397 ( -63.755 -28.258 41.106) 80.950 8.173 ( 9.467 6.686 -9.008) 14.679 9.103 ( 3.241 -5.509 -4.890) 8.048 10.236 ( 16.792 2.967 -1.192) 17.093 16.222 ( -11.821 -0.801 34.197) 36.192 16.984 ( 5.464 -7.684 -3.698) 10.128 17.674 ( -14.483 20.976 -0.224) 25.491 18.443 ( -22.450 -15.418 4.776) 27.650 19.803 ( -9.205 -4.855 11.731) 15.682 25.070 ( 15.085 2.462 -1.890) 15.401 27.202 ( -4.595 -1.360 1.432) 5.001 27.916 ( -2.325 -0.843 4.926) 5.512 30.917 ( 7.616 0.346 -2.917) 8.163 31.657 ( 6.088 2.726 -1.238) 6.784 31.813 ( -0.823 -1.521 -3.257) 3.688 32.112 ( -8.895 -1.108 -16.648) 18.908 46.497 ( -9.712 4.801 -12.929) 16.868 47.404 ( -31.645 -11.510 17.024) 37.732 50.299 ( 11.653 -2.881 20.081) 23.395 51.604 ( 2.150 -3.242 -0.328) 3.904 55.657 ( -3.247 6.165 -11.439) 13.394 57.672 ( 6.821 1.310 -2.529) 7.392 ======================= Grid point 246 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.000 10.947 41.454) 42.875 2.880 ( 0.000 8.172 49.086) 49.762 5.243 ( 0.000 59.216 55.145) 80.917 7.911 ( -0.000 -15.696 -14.525) 21.385 8.764 ( -0.000 13.005 -10.598) 16.776 10.306 ( -0.000 -10.910 -7.285) 13.118 16.727 ( -0.000 -11.207 -5.813) 12.625 17.437 ( 0.000 8.277 6.015) 10.232 17.611 ( 0.000 2.707 14.899) 15.143 18.232 ( -0.000 29.336 -0.999) 29.353 21.132 ( 0.000 -47.490 53.343) 71.420 25.099 ( -0.000 -11.358 -7.400) 13.555 27.276 ( 0.000 3.006 7.931) 8.481 28.218 ( 0.000 1.713 15.944) 16.036 30.678 ( -0.000 50.631 -27.742) 57.733 30.816 ( -0.000 -5.837 -10.094) 11.661 31.701 ( -0.000 -1.349 -5.175) 5.348 31.733 ( -0.000 0.643 -5.254) 5.293 46.198 ( 0.000 -7.100 1.507) 7.258 47.643 ( 0.000 35.458 22.048) 41.754 51.046 ( 0.000 -5.540 2.448) 6.057 51.573 ( -0.000 4.286 -7.138) 8.326 55.330 ( 0.000 -13.163 0.799) 13.187 57.586 ( -0.000 -5.583 -7.958) 9.721 ======================= Grid point 247 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 18.401 17.713 25.559) 36.133 3.472 ( 26.085 1.950 46.731) 53.554 6.146 ( 2.757 54.743 49.304) 73.725 7.653 ( 1.989 -21.021 -18.685) 28.195 8.781 ( -4.544 11.597 -9.818) 15.860 10.094 ( -7.538 -10.609 -6.295) 14.457 16.603 ( 3.329 -10.677 -6.946) 13.165 17.620 ( 2.169 13.176 17.343) 21.888 17.815 ( 9.487 6.048 3.693) 11.842 18.584 ( 7.446 30.008 1.771) 30.968 20.916 ( -13.906 -28.326 44.263) 54.360 24.874 ( -6.322 -13.981 -8.809) 17.693 27.367 ( 0.416 4.205 8.972) 9.917 28.331 ( -0.560 1.348 17.048) 17.110 30.648 ( -3.324 -4.995 -11.611) 13.070 31.086 ( 12.592 32.218 -19.404) 39.662 31.577 ( -6.209 -2.024 -6.054) 8.905 31.775 ( 4.527 2.307 -4.806) 6.994 46.229 ( 10.522 -6.518 1.091) 12.425 48.184 ( 4.395 38.368 24.323) 45.640 50.992 ( -3.670 -1.113 0.475) 3.864 51.412 ( -17.723 3.509 -5.226) 18.808 55.322 ( 12.947 -11.725 -1.149) 17.505 57.452 ( -2.481 -6.967 -9.121) 11.743 ======================= Grid point 248 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( 28.852 22.100 6.019) 36.838 4.281 ( 37.023 -4.936 44.538) 58.127 6.958 ( 1.751 41.937 38.500) 56.956 7.346 ( 2.755 -20.450 -18.822) 27.929 8.723 ( -8.420 11.025 -9.537) 16.834 9.780 ( -14.041 -9.780 -3.663) 17.499 16.566 ( 8.932 -10.104 -5.287) 14.486 17.864 ( -2.690 10.001 18.902) 21.553 18.128 ( 15.633 15.082 -2.234) 21.837 19.081 ( 14.816 28.256 6.313) 32.523 20.722 ( -12.477 -14.145 34.973) 39.735 24.506 ( -12.694 -16.637 -10.712) 23.509 27.478 ( 0.668 4.961 9.607) 10.832 28.420 ( -2.473 0.088 16.852) 17.033 30.474 ( -1.851 -6.032 -11.342) 12.979 31.393 ( -8.200 -2.280 -6.736) 10.854 31.449 ( 11.677 19.864 -13.198) 26.554 31.859 ( 4.657 4.236 -3.751) 7.329 46.434 ( 19.901 -5.535 0.740) 20.670 48.813 ( 7.273 38.597 25.699) 46.937 50.888 ( -9.591 6.673 -14.539) 18.652 51.048 ( -22.938 -4.603 10.514) 25.649 55.488 ( 18.649 -7.782 -3.079) 20.441 57.258 ( -4.736 -8.022 -10.263) 13.861 ======================= Grid point 249 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 33.594 22.639 -7.981) 41.289 5.122 ( 39.373 -8.852 40.154) 56.929 6.858 ( -1.630 -29.913 -22.994) 37.765 7.734 ( 3.039 39.027 31.787) 50.426 8.591 ( -12.963 11.929 -11.905) 21.262 9.404 ( -18.473 -9.890 2.537) 21.107 16.635 ( 13.081 -9.363 -3.121) 16.387 17.962 ( -3.363 3.922 9.295) 10.635 18.523 ( 7.388 23.448 0.813) 24.598 19.667 ( 14.818 23.809 13.657) 31.192 20.691 ( 1.122 -5.481 23.820) 24.468 23.997 ( -18.530 -19.159 -12.752) 29.547 27.600 ( 0.927 5.182 9.605) 10.953 28.440 ( -5.949 -1.849 14.458) 15.743 30.354 ( 2.002 -4.986 -9.171) 10.629 31.176 ( -8.629 -4.223 -6.477) 11.586 31.709 ( 7.669 14.308 -9.132) 18.626 31.962 ( 4.269 5.032 -2.096) 6.924 46.788 ( 26.994 -4.521 0.985) 27.387 49.471 ( 8.408 36.341 25.795) 45.351 50.479 ( -25.418 3.447 -23.498) 34.786 50.843 ( -12.760 -3.974 19.095) 23.307 55.736 ( 19.427 -3.859 -3.364) 20.090 57.018 ( -6.345 -8.432 -11.155) 15.355 ======================= Grid point 250 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.997 ( 35.230 21.591 -17.462) 44.858 5.883 ( 33.890 -11.744 29.142) 46.213 6.369 ( -0.365 -33.133 -19.999) 38.703 8.200 ( -10.374 23.409 -1.370) 25.641 8.439 ( -8.928 22.827 7.937) 25.764 9.020 ( -20.032 -11.606 13.113) 26.607 16.768 ( 13.934 -8.416 -1.212) 16.323 17.946 ( -4.465 -1.176 2.390) 5.199 18.801 ( -3.941 26.257 0.234) 26.552 20.067 ( -3.955 13.866 23.315) 27.413 21.051 ( 29.829 4.885 10.456) 31.984 23.364 ( -23.225 -21.304 -14.267) 34.595 27.723 ( 1.183 4.753 8.811) 10.081 28.357 ( -9.614 -3.629 10.221) 14.494 30.346 ( 7.050 -3.285 -5.034) 9.264 30.952 ( -8.101 -4.688 -5.900) 11.064 31.877 ( 3.456 11.132 -6.761) 13.475 32.073 ( 3.953 4.796 0.233) 6.220 47.250 ( 31.131 -3.638 1.995) 31.406 49.889 ( -25.883 -0.898 -21.096) 33.404 50.108 ( 6.897 30.963 22.115) 38.670 50.691 ( -15.688 -2.288 17.976) 23.968 56.015 ( 18.535 -0.760 -2.595) 18.731 56.754 ( -7.004 -7.981 -11.622) 15.743 ======================= Grid point 251 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.574 ( 13.977 -6.131 -27.004) 31.019 5.801 ( 14.554 -7.279 -23.730) 28.773 6.629 ( 30.408 -11.942 29.737) 44.176 7.868 ( -25.913 12.816 -25.326) 38.434 8.662 ( -21.492 -13.068 21.388) 33.017 8.792 ( -0.601 25.585 21.473) 33.408 16.905 ( 11.240 -7.376 0.355) 13.449 17.820 ( -6.016 -5.296 -3.916) 8.921 18.899 ( -13.575 24.464 0.137) 27.978 20.173 ( -10.862 8.870 22.248) 26.299 21.786 ( 39.641 8.991 6.350) 41.141 22.645 ( -25.985 -22.579 -14.361) 37.299 27.834 ( 1.204 3.629 7.270) 8.214 28.185 ( -11.608 -4.418 6.258) 13.908 30.457 ( 10.893 -2.022 -1.131) 11.136 30.754 ( -5.958 -4.317 -4.654) 8.706 31.961 ( -0.285 8.651 -4.995) 9.994 32.190 ( 3.517 4.726 1.905) 6.191 47.769 ( 31.886 -2.881 3.454) 32.202 49.262 ( -26.279 -5.415 -24.540) 36.361 50.470 ( -20.145 -1.459 18.875) 27.644 50.653 ( 5.793 24.813 21.135) 33.105 56.308 ( 17.324 1.370 -1.614) 17.453 56.494 ( -6.683 -6.640 -11.631) 14.968 ======================= Grid point 252 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.018 ( -11.550 -32.957 -26.672) 43.943 6.317 ( 32.060 17.941 -25.242) 44.575 6.963 ( -11.474 6.964 -6.369) 14.857 7.545 ( 6.531 -5.805 5.475) 10.311 8.276 ( -26.085 -14.349 24.514) 38.565 9.118 ( -0.243 19.702 15.843) 25.283 16.990 ( 5.677 -6.440 1.941) 8.801 17.602 ( -7.223 -7.577 -9.402) 14.070 18.837 ( -19.678 20.385 1.447) 28.371 20.169 ( -13.885 7.618 17.671) 23.729 21.877 ( -25.623 -23.608 -13.377) 37.320 22.589 ( 38.047 9.032 5.130) 39.439 27.914 ( -0.307 1.417 4.997) 5.203 27.978 ( -10.662 -3.655 4.211) 12.032 30.585 ( 0.844 -2.515 -3.068) 4.055 30.680 ( 9.588 -2.079 1.122) 9.875 31.984 ( -2.532 6.505 -3.194) 7.677 32.296 ( 2.138 4.402 2.170) 5.354 48.249 ( 18.973 -1.446 -1.683) 19.102 48.663 ( -13.642 -7.712 -17.885) 23.779 50.165 ( -26.116 -4.182 19.188) 32.676 51.073 ( 3.865 19.063 17.280) 26.018 56.258 ( -6.046 -4.692 -11.510) 13.822 56.606 ( 16.303 2.649 -0.866) 16.539 ======================= Grid point 253 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -17.068 -28.920 -21.263) 39.747 6.362 ( -39.647 14.867 -26.506) 49.955 6.900 ( 26.465 16.437 -26.348) 40.802 7.775 ( -29.551 -16.990 28.351) 44.336 7.931 ( 23.681 -12.441 20.686) 33.816 9.368 ( 1.383 13.890 10.199) 17.287 16.986 ( -1.458 -5.867 4.472) 7.519 17.334 ( -7.312 -7.359 -12.727) 16.419 18.672 ( -22.319 16.706 2.865) 28.026 20.051 ( -19.380 4.945 12.973) 23.840 21.166 ( -22.956 -21.676 -9.744) 33.042 23.308 ( 34.625 7.116 3.007) 35.477 27.758 ( -10.748 -3.627 2.434) 11.602 27.971 ( -0.059 0.437 4.092) 4.116 30.542 ( 1.182 -1.774 -2.525) 3.305 30.897 ( 13.836 -1.080 2.498) 14.101 31.970 ( -3.617 4.656 -1.775) 6.157 32.367 ( 0.238 3.462 1.286) 3.701 47.910 ( -23.210 -3.171 -24.967) 34.236 48.891 ( 27.380 -4.492 9.258) 29.249 49.746 ( -31.413 -6.551 19.016) 37.300 51.360 ( 1.776 11.928 12.208) 17.160 56.059 ( -5.406 -2.064 -11.150) 12.562 56.893 ( 15.051 2.942 -0.872) 15.360 ======================= Grid point 254 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( -22.844 -19.523 -10.975) 31.992 5.583 ( -49.230 16.238 -26.915) 58.410 7.098 ( -32.642 -16.256 19.923) 41.554 7.385 ( 14.716 10.480 -13.429) 22.511 8.377 ( 25.370 -10.905 17.415) 32.647 9.566 ( 4.565 7.833 4.451) 10.100 16.882 ( -8.944 -5.731 8.827) 13.811 17.087 ( -5.410 -4.342 -12.183) 14.020 18.464 ( -22.360 14.724 3.412) 26.989 19.749 ( -25.702 -2.780 8.525) 27.221 20.606 ( -17.398 -14.061 -4.260) 22.772 23.917 ( 29.718 4.554 0.641) 30.071 27.570 ( -9.431 -2.829 1.905) 10.028 27.985 ( -0.779 -0.656 3.638) 3.777 30.567 ( 4.710 -0.755 -2.123) 5.221 31.133 ( 13.330 -0.670 1.963) 13.490 31.935 ( -3.856 2.930 -0.906) 4.927 32.382 ( -1.866 2.039 -0.917) 2.912 47.370 ( -21.269 0.531 -22.142) 30.707 49.205 ( -32.617 -8.066 18.820) 38.511 49.370 ( 21.337 -5.236 12.159) 25.110 51.516 ( 0.636 4.717 6.216) 7.829 55.902 ( -5.017 1.381 -10.424) 11.651 57.152 ( 13.371 2.418 -1.566) 13.678 ======================= Grid point 255 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -27.711 -2.744 6.013) 28.488 4.722 ( -53.929 18.115 -24.283) 61.856 6.332 ( -50.068 -21.527 31.251) 62.824 7.714 ( 18.122 10.974 -16.232) 26.689 8.746 ( 18.917 -8.771 9.387) 22.867 9.740 ( 9.955 1.420 -0.902) 10.097 16.713 ( -13.434 -2.794 15.749) 20.888 16.935 ( -2.567 -1.482 -6.859) 7.472 18.264 ( -20.150 14.166 3.450) 24.872 19.272 ( -27.233 -10.597 6.191) 29.871 20.239 ( -14.756 -5.314 0.462) 15.690 24.402 ( 24.753 1.745 -1.620) 24.867 27.412 ( -7.841 -1.985 1.640) 8.253 27.982 ( -1.381 -1.066 4.477) 4.805 30.651 ( 7.184 -0.110 -2.682) 7.669 31.348 ( 11.812 -0.526 0.609) 11.840 31.889 ( -3.532 1.457 -0.730) 3.890 32.325 ( -4.361 0.367 -5.274) 6.853 46.956 ( -17.564 6.830 -17.109) 25.453 48.606 ( -37.822 -10.685 17.895) 43.185 49.778 ( 20.258 -5.222 15.460) 26.013 51.554 ( 0.605 -2.264 -0.537) 2.404 55.794 ( -4.755 5.788 -9.018) 11.724 57.366 ( 11.329 1.355 -2.671) 11.718 ======================= Grid point 256 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -28.421 21.047 28.303) 45.296 3.846 ( -56.547 21.243 -19.283) 63.408 5.417 ( -57.581 -22.520 37.443) 72.282 7.997 ( 13.904 9.946 -11.626) 20.674 8.915 ( 7.948 -9.137 -2.044) 12.281 9.934 ( 16.469 -3.836 -3.763) 17.324 16.630 ( -11.276 2.296 30.102) 32.227 16.883 ( 0.439 1.256 -3.609) 3.846 18.116 ( -16.050 12.960 5.018) 21.231 18.747 ( -25.829 -11.260 5.171) 28.647 19.998 ( -11.950 -1.477 6.027) 13.465 24.766 ( 20.077 -1.078 -3.483) 20.405 27.290 ( -6.072 -1.070 1.722) 6.401 27.979 ( -1.708 -0.853 6.371) 6.651 30.762 ( 8.090 0.271 -3.998) 9.028 31.519 ( 9.609 -1.456 -1.193) 9.791 31.835 ( -3.394 1.074 -2.225) 4.199 32.163 ( -8.535 -0.951 -12.886) 15.485 46.711 ( -13.440 14.230 -11.386) 22.645 47.975 ( -36.475 -11.564 17.549) 42.097 50.134 ( 16.490 -6.546 19.322) 26.232 51.495 ( 1.484 -7.887 -7.317) 10.861 55.748 ( -4.250 10.339 -6.922) 13.148 57.524 ( 9.119 0.045 -3.867) 9.905 ======================= Grid point 261 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 0.000 12.562 33.411) 35.695 3.555 ( 0.000 5.768 38.460) 38.890 6.929 ( 0.000 51.002 44.212) 67.498 7.293 ( -0.000 -24.935 -21.697) 33.053 8.866 ( -0.000 10.341 -9.639) 14.137 10.024 ( -0.000 -9.366 -5.446) 10.834 16.419 ( -0.000 -11.186 -8.249) 13.899 17.761 ( 0.000 15.541 7.950) 17.456 17.922 ( 0.000 9.353 14.686) 17.412 18.831 ( -0.000 32.403 0.785) 32.412 21.021 ( 0.000 -24.652 39.380) 46.460 24.724 ( -0.000 -16.295 -9.950) 19.093 27.469 ( 0.000 5.326 10.174) 11.484 28.460 ( 0.000 1.489 18.195) 18.255 30.548 ( -0.000 -6.970 -12.898) 14.660 31.177 ( -0.000 27.128 -13.080) 30.117 31.626 ( -0.000 2.554 -7.297) 7.731 31.689 ( -0.000 1.519 -5.376) 5.586 46.084 ( 0.000 -6.801 2.185) 7.144 48.686 ( 0.000 40.798 25.071) 47.886 51.023 ( -0.000 2.421 -2.389) 3.401 51.584 ( -0.000 5.795 -6.979) 9.071 55.071 ( 0.000 -14.244 1.242) 14.298 57.340 ( -0.000 -8.324 -9.999) 13.010 ======================= Grid point 262 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 13.430 14.984 20.488) 28.716 4.010 ( 21.468 0.085 37.476) 43.189 6.888 ( -0.346 -28.668 -24.179) 37.505 7.659 ( 1.227 44.514 37.353) 58.123 8.870 ( -4.018 9.593 -9.061) 13.794 9.850 ( -7.163 -7.847 -3.854) 11.302 16.306 ( 5.251 -10.924 -6.516) 13.761 18.021 ( 2.368 11.298 2.192) 11.749 18.147 ( 7.611 17.411 17.484) 25.821 19.211 ( 6.470 32.031 2.096) 32.745 20.968 ( -8.115 -16.396 34.071) 38.672 24.432 ( -6.813 -18.628 -11.618) 22.987 27.589 ( 0.000 5.896 10.769) 12.278 28.570 ( -1.871 0.784 18.264) 18.376 30.377 ( -2.088 -6.367 -13.311) 14.902 31.361 ( 3.087 7.266 -7.089) 10.611 31.533 ( -4.706 11.943 -8.759) 15.540 31.776 ( 6.743 4.505 -5.469) 9.781 46.126 ( 10.716 -6.413 2.977) 12.838 49.265 ( 3.356 40.280 25.100) 47.578 51.002 ( -4.449 6.567 -8.276) 11.464 51.434 ( -18.273 3.139 -1.511) 18.602 55.082 ( 15.148 -12.160 0.653) 19.436 57.170 ( -2.413 -9.282 -10.800) 14.443 ======================= Grid point 263 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 22.643 17.646 2.748) 28.838 4.676 ( 32.504 -6.522 37.685) 50.191 6.428 ( -1.347 -31.546 -25.750) 40.743 8.273 ( 0.077 36.729 28.671) 46.595 8.811 ( -7.825 10.376 -8.648) 15.610 9.593 ( -12.974 -7.193 -0.231) 14.836 16.312 ( 11.140 -10.138 -3.426) 15.447 18.086 ( -3.608 6.909 -0.636) 7.821 18.664 ( 13.140 24.183 16.245) 31.959 19.686 ( 13.650 28.489 2.046) 31.657 20.878 ( -9.492 -10.211 29.036) 32.209 23.993 ( -13.450 -20.799 -13.500) 28.210 27.711 ( -0.157 5.751 10.650) 12.105 28.617 ( -5.478 -0.870 16.070) 17.000 30.224 ( 0.320 -4.974 -11.450) 12.487 31.238 ( -8.010 -3.594 -6.511) 10.930 31.689 ( 6.160 15.117 -6.184) 17.456 31.906 ( 6.084 5.836 -4.381) 9.501 46.350 ( 20.249 -5.873 4.038) 21.467 49.868 ( 5.281 37.142 23.973) 44.521 50.812 ( -20.477 12.961 -27.777) 36.862 51.144 ( -15.962 -5.375 19.036) 25.417 55.308 ( 22.096 -7.837 -0.722) 23.456 56.952 ( -4.387 -9.469 -11.313) 15.391 ======================= Grid point 264 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.566 ( 28.517 18.386 -10.603) 35.549 5.386 ( 33.997 -10.953 32.323) 48.172 5.934 ( -1.273 -31.867 -22.221) 38.870 8.560 ( -12.630 16.696 -10.316) 23.339 8.845 ( -2.852 24.361 17.598) 30.188 9.289 ( -16.153 -8.509 7.502) 19.738 16.430 ( 14.889 -9.028 -0.397) 17.417 18.037 ( -6.425 3.662 -4.535) 8.675 19.156 ( 1.711 28.435 14.109) 31.789 20.240 ( 17.910 23.077 4.398) 29.541 20.845 ( 0.145 -7.575 22.273) 23.526 23.419 ( -19.166 -22.561 -14.961) 33.169 27.821 ( -0.299 4.872 9.702) 10.861 28.555 ( -9.771 -2.778 11.192) 15.114 30.173 ( 5.288 -3.183 -6.856) 9.225 31.016 ( -8.977 -3.772 -6.287) 11.591 31.886 ( 5.021 11.740 -4.222) 13.449 32.034 ( 5.368 5.057 -2.351) 7.740 46.730 ( 27.518 -5.400 5.535) 28.584 50.266 ( -30.329 8.239 -25.119) 40.233 50.448 ( 4.153 31.147 19.541) 37.003 51.005 ( -12.016 -3.671 18.870) 22.670 55.630 ( 22.912 -3.789 -1.248) 23.256 56.709 ( -5.608 -8.577 -11.311) 15.263 ======================= Grid point 265 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.126 ( 24.094 10.363 -20.545) 33.317 5.385 ( 1.987 -20.215 -22.225) 30.109 6.133 ( 34.726 -14.716 32.738) 49.942 8.276 ( -23.349 14.316 -23.676) 36.203 8.988 ( -17.374 -10.887 16.757) 26.480 9.159 ( -1.827 21.002 16.861) 26.994 16.612 ( 15.166 -7.760 2.178) 17.175 17.888 ( -9.089 0.835 -8.433) 12.427 19.409 ( -12.385 26.401 10.859) 31.118 20.568 ( -7.828 12.733 16.626) 22.357 21.218 ( 36.749 1.330 6.260) 37.302 22.743 ( -23.157 -23.512 -15.180) 36.325 27.910 ( -0.393 3.337 8.010) 8.687 28.385 ( -12.335 -3.817 6.123) 14.290 30.251 ( 9.778 -1.929 -1.916) 10.149 30.801 ( -7.894 -3.431 -5.386) 10.153 32.018 ( 1.124 9.338 -3.499) 10.035 32.163 ( 5.583 4.221 -0.037) 6.999 47.222 ( 31.838 -5.084 7.382) 33.076 49.607 ( -33.549 3.476 -25.857) 42.500 50.855 ( -14.849 -2.532 17.634) 23.192 50.929 ( 4.192 23.806 17.830) 30.036 55.975 ( 21.466 -0.815 -1.138) 21.511 56.468 ( -6.036 -6.535 -10.693) 13.910 ======================= Grid point 266 (99/288) ======================= q-point: (-0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( -10.450 -23.039 -19.360) 31.856 5.785 ( 32.909 17.246 -24.128) 44.301 6.746 ( 30.627 -13.486 28.917) 44.228 7.807 ( -29.010 13.335 -25.647) 40.953 8.679 ( -20.616 -12.626 21.810) 32.559 9.382 ( -1.747 14.158 10.684) 17.823 16.796 ( 11.943 -6.522 4.525) 14.340 17.655 ( -11.039 -0.583 -11.848) 16.204 19.406 ( -20.580 18.909 9.695) 29.581 20.599 ( -12.908 12.146 15.358) 23.452 21.856 ( 11.827 -13.063 -8.249) 19.457 22.120 ( 5.877 -7.461 -3.479) 10.115 27.969 ( -0.584 1.436 5.929) 6.128 28.162 ( -12.568 -3.823 3.081) 13.493 30.423 ( 12.146 -1.264 0.900) 12.244 30.631 ( -4.886 -2.671 -3.942) 6.823 32.070 ( -1.773 6.636 -2.166) 7.202 32.291 ( 4.384 3.822 0.512) 5.839 47.772 ( 32.593 -4.743 9.112) 34.173 48.921 ( -31.833 1.714 -24.734) 40.349 50.627 ( -20.531 -4.587 17.294) 27.234 51.285 ( 2.892 16.248 12.830) 20.903 56.252 ( -5.067 -3.253 -9.221) 11.013 56.318 ( 18.619 0.728 -1.339) 18.682 ======================= Grid point 267 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -15.400 -14.395 -10.460) 23.533 6.339 ( 30.681 16.225 -25.504) 43.070 7.020 ( -21.180 11.063 -12.629) 27.028 7.497 ( 14.830 -10.046 11.629) 21.356 8.297 ( -26.505 -14.221 24.159) 38.580 9.513 ( -0.614 7.421 4.698) 8.805 16.928 ( 6.121 -5.412 7.403) 11.025 17.380 ( -11.388 0.043 -13.793) 17.886 19.238 ( -23.310 11.610 9.956) 27.880 20.549 ( -19.221 13.914 11.985) 26.583 21.243 ( -21.456 -24.783 -12.925) 35.236 22.750 ( 39.194 3.395 1.350) 39.364 27.925 ( -11.099 -2.719 1.541) 11.531 28.006 ( -1.212 -0.870 4.499) 4.740 30.514 ( -1.373 -0.585 -3.098) 3.438 30.661 ( 13.523 -1.965 2.138) 13.831 32.069 ( -3.528 4.420 -0.878) 5.723 32.380 ( 2.189 2.642 -0.258) 3.441 48.163 ( -12.206 3.071 -13.199) 18.238 48.448 ( 14.768 -4.855 1.616) 15.630 50.282 ( -26.575 -6.667 17.019) 32.254 51.493 ( 1.103 7.460 6.773) 10.137 56.085 ( -5.796 0.264 -7.966) 9.855 56.634 ( 17.535 1.625 -1.372) 17.664 ======================= Grid point 268 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( -19.922 -0.830 2.581) 20.105 6.367 ( -41.220 16.960 -23.168) 50.234 6.879 ( 24.840 14.772 -26.648) 39.311 7.796 ( -30.294 -15.909 27.288) 43.767 7.924 ( 25.423 -13.723 19.866) 35.062 9.569 ( 1.515 0.606 -1.133) 1.986 16.983 ( -1.083 -4.069 11.324) 12.082 17.130 ( -9.217 2.537 -12.761) 15.945 18.995 ( -22.911 6.687 10.221) 25.963 20.270 ( -31.272 0.661 4.712) 31.632 20.711 ( -12.710 -9.027 -4.696) 16.281 23.398 ( 35.026 1.013 -1.160) 35.060 27.722 ( -10.499 -2.310 1.118) 10.808 28.009 ( -0.421 -1.638 3.997) 4.340 30.494 ( 1.587 0.236 -2.791) 3.220 30.896 ( 14.391 -1.581 1.802) 14.589 32.031 ( -4.489 2.477 -0.027) 5.127 32.407 ( -0.350 0.915 -2.147) 2.360 47.682 ( -25.714 8.387 -19.735) 33.482 48.929 ( 29.570 -6.172 13.776) 33.200 49.813 ( -32.346 -9.007 16.807) 37.548 51.552 ( -0.085 -0.996 -0.064) 1.002 55.969 ( -5.605 4.465 -6.111) 9.418 56.915 ( 15.440 1.309 -2.299) 15.665 ======================= Grid point 269 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -22.721 16.260 18.622) 33.577 5.629 ( -48.898 19.618 -22.825) 57.419 7.024 ( -25.628 -12.793 14.593) 32.146 7.440 ( 7.535 8.128 -7.495) 13.380 8.352 ( 24.391 -12.213 15.335) 31.292 9.569 ( 5.092 -6.292 -6.534) 10.403 16.935 ( -6.987 5.492 -2.942) 9.361 17.012 ( -5.319 -1.387 11.318) 12.582 18.739 ( -20.637 3.817 10.250) 23.356 19.694 ( -29.925 -10.434 1.336) 31.720 20.476 ( -15.097 5.264 0.950) 16.016 23.927 ( 29.975 -1.733 -3.544) 30.233 27.546 ( -9.054 -1.510 1.205) 9.258 28.012 ( -0.272 -1.920 4.808) 5.184 30.535 ( 4.570 1.013 -3.210) 5.676 31.124 ( 13.487 -1.672 0.381) 13.595 31.970 ( -4.669 0.972 0.286) 4.778 32.355 ( -3.226 -0.913 -5.372) 6.332 47.290 ( -21.189 14.827 -15.331) 30.064 49.236 ( -36.321 -11.310 16.971) 41.655 49.428 ( 25.591 -6.278 16.310) 30.989 51.480 ( -0.318 -8.125 -7.157) 10.832 55.909 ( -5.302 8.603 -4.226) 10.954 57.147 ( 13.265 0.305 -3.616) 13.752 ======================= Grid point 270 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( -22.313 32.950 33.832) 52.232 4.853 ( -51.763 22.645 -19.781) 59.862 6.326 ( -48.194 -19.103 32.634) 61.258 7.750 ( 18.517 12.735 -15.946) 27.556 8.640 ( 14.038 -11.426 5.455) 18.904 9.573 ( 12.820 -11.671 -8.637) 19.369 16.903 ( -2.768 11.701 -7.509) 14.176 17.008 ( -7.420 -1.743 27.884) 28.907 18.516 ( -16.852 2.105 11.740) 20.646 19.130 ( -26.732 -8.799 1.986) 28.213 20.287 ( -16.551 8.228 3.379) 18.790 24.331 ( 25.168 -4.521 -5.476) 26.150 27.406 ( -7.402 -0.609 1.710) 7.621 28.026 ( -0.193 -1.542 6.782) 6.958 30.619 ( 6.460 1.417 -4.350) 7.916 31.311 ( 11.364 -2.650 -1.623) 11.781 31.902 ( -4.224 0.699 -0.285) 4.291 32.210 ( -6.868 -1.962 -10.074) 12.349 47.074 ( -16.538 22.098 -10.955) 29.696 48.599 ( -37.856 -12.177 18.427) 43.828 49.865 ( 21.248 -7.252 18.964) 29.389 51.315 ( 0.753 -12.240 -13.522) 18.255 55.902 ( -4.853 11.442 -2.891) 12.760 57.321 ( 11.096 -1.055 -5.022) 12.226 ======================= Grid point 276 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 0.000 9.508 26.221) 27.891 4.037 ( 0.000 1.513 28.868) 28.907 6.449 ( -0.000 -30.415 -25.768) 39.863 8.270 ( 0.000 38.678 31.318) 49.767 8.938 ( -0.000 8.625 -7.862) 11.671 9.821 ( -0.000 -5.976 -3.483) 6.917 16.114 ( -0.000 -10.910 -5.645) 12.284 18.194 ( -0.000 18.185 7.395) 19.631 18.280 ( 0.000 11.427 8.985) 14.536 19.504 ( -0.000 33.708 4.321) 33.984 21.084 ( 0.000 -13.814 30.369) 33.363 24.226 ( -0.000 -20.493 -12.988) 24.262 27.716 ( 0.000 6.157 11.062) 12.660 28.710 ( 0.000 0.831 18.516) 18.535 30.247 ( -0.000 -6.336 -14.384) 15.718 31.368 ( -0.000 4.311 -5.352) 6.873 31.661 ( -0.000 2.026 -4.805) 5.214 31.699 ( -0.000 15.021 -8.114) 17.072 45.996 ( 0.000 -6.410 4.565) 7.870 49.774 ( 0.000 38.785 23.954) 45.586 51.060 ( -0.000 7.496 -8.154) 11.076 51.627 ( -0.000 7.043 -6.366) 9.493 54.828 ( 0.000 -13.668 4.196) 14.298 57.028 ( -0.000 -10.023 -11.100) 14.956 ======================= Grid point 277 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 9.006 10.256 14.166) 19.671 4.385 ( 20.073 -3.722 29.645) 35.995 5.989 ( -0.945 -30.246 -25.334) 39.466 8.753 ( -1.517 27.355 16.438) 31.950 8.967 ( -2.675 12.282 0.282) 12.573 9.694 ( -6.733 -4.772 -2.051) 8.504 16.041 ( 6.670 -10.076 -2.719) 12.386 18.258 ( -7.670 10.964 -0.014) 13.380 18.682 ( 18.499 17.572 11.895) 28.151 19.878 ( 2.002 32.302 4.795) 32.717 21.087 ( -5.939 -10.161 26.544) 29.036 23.875 ( -7.202 -21.965 -14.528) 27.302 27.837 ( -0.373 5.552 10.537) 11.916 28.793 ( -3.816 -0.226 16.399) 16.838 30.100 ( -0.033 -4.885 -12.860) 13.757 31.299 ( -6.352 -0.969 -6.064) 8.836 31.692 ( 4.406 6.999 -3.590) 9.016 31.850 ( 4.768 11.052 -5.607) 13.279 46.059 ( 10.831 -6.174 6.159) 13.906 50.294 ( 2.408 34.483 21.652) 40.788 51.024 ( -7.573 11.571 -17.570) 22.359 51.497 ( -17.038 2.730 2.359) 17.416 54.885 ( 16.816 -10.979 4.459) 20.572 56.845 ( -2.173 -9.808 -10.975) 14.878 ======================= Grid point 278 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 18.244 12.536 -1.792) 22.208 4.940 ( 29.642 -9.559 30.538) 43.619 5.534 ( -1.779 -27.667 -21.511) 35.090 8.809 ( -8.915 10.808 -10.790) 17.684 9.217 ( -1.401 21.855 17.660) 28.133 9.488 ( -11.702 -5.142 2.281) 12.984 16.109 ( 12.674 -8.696 0.771) 15.390 18.189 ( -9.047 7.420 -5.407) 12.890 19.305 ( 22.380 20.215 13.847) 33.185 20.236 ( 4.652 25.925 1.705) 26.394 21.030 ( -8.346 -6.932 23.114) 25.533 23.385 ( -14.022 -22.655 -15.590) 30.870 27.935 ( -0.832 4.145 9.215) 10.139 28.760 ( -8.979 -2.047 10.742) 14.150 30.025 ( 3.574 -2.716 -7.648) 8.868 31.106 ( -9.484 -1.780 -6.292) 11.520 31.856 ( 7.999 6.615 -1.858) 10.545 31.990 ( 4.069 8.324 -3.904) 10.054 46.309 ( 20.460 -5.962 7.954) 22.746 50.692 ( -20.020 16.783 -19.979) 32.888 50.801 ( -3.021 25.833 6.654) 26.846 51.280 ( -13.107 -4.077 17.697) 22.397 55.180 ( 24.193 -6.473 2.868) 25.207 56.640 ( -3.799 -8.246 -10.178) 13.639 ======================= Grid point 279 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 24.131 13.330 -13.735) 30.800 5.079 ( -2.987 -19.382 -17.306) 26.154 5.603 ( 33.770 -15.239 31.110) 48.379 8.617 ( -16.826 12.268 -18.270) 27.703 9.244 ( -13.959 -7.663 10.536) 19.094 9.457 ( -2.333 15.014 11.494) 19.052 16.292 ( 15.960 -7.106 3.865) 17.893 18.033 ( -11.139 4.880 -9.399) 15.370 19.871 ( 2.876 24.248 15.545) 28.946 20.608 ( 22.518 11.101 -3.681) 25.374 20.985 ( -6.557 -1.776 19.926) 21.053 22.787 ( -19.702 -21.984 -15.354) 33.275 28.000 ( -1.176 2.144 7.246) 7.648 28.594 ( -12.465 -3.223 4.441) 13.620 30.076 ( 7.758 -1.250 -1.615) 8.022 30.890 ( -9.580 -1.433 -5.603) 11.191 32.038 ( 6.235 6.582 -1.015) 9.124 32.101 ( 4.077 4.969 -2.157) 6.779 46.715 ( 27.799 -5.898 9.892) 30.090 50.104 ( -35.996 11.050 -29.649) 47.926 51.137 ( -7.294 1.040 15.609) 17.260 51.183 ( -0.940 13.891 15.014) 20.476 55.567 ( 24.748 -2.750 1.526) 24.947 56.442 ( -4.805 -5.266 -8.588) 11.161 ======================= Grid point 280 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( -8.453 -11.016 -10.330) 17.307 5.264 ( 30.335 14.315 -21.599) 39.895 6.222 ( 34.720 -16.593 30.634) 49.186 8.259 ( -25.397 14.259 -23.885) 37.667 8.994 ( -16.043 -10.434 17.738) 26.093 9.575 ( -2.630 7.605 4.992) 9.470 16.533 ( 15.747 -5.586 6.431) 17.903 17.802 ( -13.056 3.746 -12.504) 18.462 19.982 ( -19.233 14.003 13.838) 27.523 20.984 ( -6.488 13.624 7.819) 16.995 21.232 ( 38.708 -4.879 1.834) 39.058 22.143 ( -21.360 -17.737 -12.264) 30.352 28.026 ( -1.234 -0.064 5.062) 5.211 28.358 ( -13.186 -3.279 0.847) 13.614 30.225 ( 10.643 -0.854 1.832) 10.833 30.699 ( -8.018 -0.505 -4.460) 9.189 32.138 ( -0.166 5.505 -0.834) 5.570 32.228 ( 6.770 2.614 -0.654) 7.286 47.232 ( 32.213 -5.968 11.807) 34.824 49.404 ( -37.188 9.196 -27.125) 46.939 50.979 ( -15.262 -5.645 16.344) 23.063 51.430 ( 2.546 9.810 7.308) 12.494 55.960 ( 22.730 -0.357 0.535) 22.739 56.278 ( -5.361 -1.265 -6.347) 8.404 ======================= Grid point 281 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -12.297 0.312 0.485) 12.311 5.796 ( 32.554 15.261 -25.957) 44.345 6.806 ( 31.967 -16.286 28.067) 45.551 7.767 ( -31.176 14.897 -25.395) 42.881 8.700 ( -20.492 -12.652 21.636) 32.375 9.585 ( -1.989 0.426 -1.117) 2.321 16.773 ( 12.412 -4.244 8.988) 15.902 17.530 ( -13.636 4.445 -14.387) 20.314 19.775 ( -22.964 2.647 13.734) 26.888 21.006 ( -7.701 6.889 1.519) 10.443 21.318 ( -22.533 -10.496 -6.247) 25.631 22.107 ( 36.592 -0.358 -0.603) 36.599 28.023 ( -1.078 -1.845 3.259) 3.897 28.114 ( -12.168 -2.818 -0.263) 12.493 30.427 ( 12.310 -0.788 2.714) 12.630 30.564 ( -5.132 0.565 -3.268) 6.111 32.155 ( -2.400 3.165 0.272) 3.981 32.339 ( 4.519 1.249 -1.185) 4.836 47.807 ( 33.182 -5.875 13.424) 36.274 48.734 ( -33.999 9.972 -24.034) 42.814 50.712 ( -20.850 -7.516 15.939) 27.300 51.535 ( 1.325 0.134 0.537) 1.435 56.162 ( -5.698 3.118 -3.841) 7.546 56.323 ( 20.027 0.676 -0.577) 20.047 ======================= Grid point 282 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( -15.307 14.016 13.085) 24.535 6.320 ( 31.125 14.569 -26.529) 43.415 7.089 ( -27.432 14.176 -15.934) 34.748 7.437 ( 20.918 -13.117 15.294) 29.044 8.314 ( -26.615 -14.388 23.993) 38.614 9.508 ( -0.534 -6.582 -6.843) 9.510 16.969 ( 7.211 -2.941 12.418) 14.658 17.276 ( -12.062 6.838 -14.424) 20.008 19.470 ( -22.346 -3.670 14.686) 26.991 20.605 ( -19.288 -23.433 -13.333) 33.149 21.045 ( -21.926 23.293 9.059) 33.247 22.753 ( 39.373 -2.124 -2.830) 39.532 27.888 ( -11.169 -1.582 -0.407) 11.288 28.010 ( 0.031 -3.384 2.903) 4.459 30.493 ( -2.260 2.246 -2.814) 4.251 30.655 ( 13.624 -1.454 2.238) 13.883 32.125 ( -4.039 1.202 1.118) 4.360 32.383 ( 1.663 -0.652 -2.681) 3.222 48.129 ( -24.824 13.136 -16.174) 32.410 48.440 ( 27.968 -5.248 11.092) 30.542 50.324 ( -27.090 -9.651 16.047) 32.932 51.488 ( 0.215 -8.327 -6.344) 10.470 56.098 ( -5.838 7.049 -1.598) 9.291 56.635 ( 17.270 0.623 -2.044) 17.401 ======================= Grid point 283 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( -16.919 27.331 25.352) 40.938 6.449 ( -40.614 19.129 -21.022) 49.571 6.822 ( 24.305 13.179 -26.894) 38.571 7.825 ( -28.026 -14.775 26.189) 41.105 7.888 ( 25.071 -14.866 19.895) 35.289 9.361 ( 1.698 -13.369 -12.151) 18.146 17.092 ( -7.104 9.503 -7.788) 14.192 17.120 ( 0.572 -0.911 12.599) 12.645 19.152 ( -20.378 -6.344 15.568) 26.418 19.979 ( -21.886 -18.425 -8.584) 29.870 20.942 ( -22.437 21.758 6.432) 31.909 23.320 ( 34.982 -4.819 -5.428) 35.727 27.699 ( -9.876 -0.797 0.230) 9.911 28.006 ( 1.110 -3.509 3.780) 5.276 30.489 ( 0.735 3.056 -2.931) 4.298 30.880 ( 13.590 -1.638 0.622) 13.702 32.061 ( -4.916 -0.256 1.569) 5.166 32.346 ( -1.407 -2.487 -5.036) 5.790 47.753 ( -24.077 20.530 -15.360) 35.172 48.988 ( 30.117 -6.825 16.413) 34.972 49.818 ( -32.561 -11.277 17.047) 38.445 51.315 ( -0.252 -14.451 -12.715) 19.250 56.080 ( -5.710 9.984 -0.092) 11.501 56.887 ( 14.683 -0.309 -3.822) 15.175 ======================= Grid point 284 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -16.816 37.614 34.786) 53.923 5.772 ( -46.390 22.404 -21.119) 55.678 6.970 ( -18.418 -9.429 12.297) 24.070 7.505 ( 3.834 6.508 -5.497) 9.342 8.287 ( 21.289 -13.615 15.437) 29.612 9.181 ( 7.183 -19.021 -15.324) 25.460 17.031 ( -4.676 13.203 -10.076) 17.255 17.233 ( -1.383 -0.874 23.321) 23.378 18.871 ( -17.090 -5.166 16.062) 24.015 19.424 ( -20.736 -13.632 -4.221) 25.172 20.792 ( -23.889 20.261 5.654) 31.830 23.767 ( 30.146 -7.621 -7.544) 31.996 27.546 ( -8.425 0.086 1.290) 8.524 28.029 ( 1.960 -3.005 5.858) 6.869 30.534 ( 3.062 3.380 -3.701) 5.873 31.076 ( 12.119 -2.522 -1.603) 12.482 31.983 ( -4.764 -0.496 1.471) 5.010 32.226 ( -4.624 -3.311 -8.059) 9.864 47.544 ( -18.765 27.084 -11.897) 35.032 49.208 ( -32.621 -13.488 19.770) 40.459 49.528 ( 22.611 -5.522 18.588) 29.787 51.066 ( 0.688 -16.973 -17.986) 24.739 56.092 ( -5.541 11.190 0.228) 12.489 57.076 ( 12.403 -1.741 -5.655) 13.742 ======================= Grid point 291 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( 0.000 3.903 19.633) 20.018 4.325 ( 0.000 -2.818 20.665) 20.857 5.572 ( -0.000 -26.661 -22.725) 35.032 8.947 ( -0.000 9.167 -6.063) 10.991 9.241 ( 0.000 22.189 17.783) 28.436 9.698 ( -0.000 -2.993 -2.788) 4.091 15.878 ( 0.000 -9.256 -0.306) 9.261 18.552 ( -0.000 9.577 1.183) 9.650 18.599 ( -0.000 15.123 4.368) 15.741 20.231 ( -0.000 32.488 8.091) 33.481 21.193 ( 0.000 -9.285 22.680) 24.507 23.629 ( -0.000 -22.136 -15.452) 26.995 27.951 ( 0.000 4.426 9.426) 10.413 28.921 ( 0.000 -0.597 13.994) 14.007 29.979 ( -0.000 -3.854 -11.536) 12.163 31.331 ( -0.000 0.770 -5.708) 5.760 31.650 ( -0.000 2.139 -3.598) 4.186 31.906 ( -0.000 12.088 -3.586) 12.609 45.950 ( 0.000 -6.161 8.042) 10.131 50.707 ( 0.000 28.849 18.189) 34.105 51.094 ( -0.000 10.443 -15.389) 18.597 51.697 ( -0.000 7.503 -5.477) 9.289 54.659 ( 0.000 -12.045 9.401) 15.279 56.706 ( -0.000 -8.967 -9.984) 13.419 ======================= Grid point 292 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 5.745 4.485 7.682) 10.590 4.596 ( 20.216 -7.805 23.322) 31.835 5.206 ( -1.337 -20.456 -17.334) 26.846 8.948 ( -4.128 7.522 -7.762) 11.570 9.515 ( -1.059 15.772 12.262) 20.006 9.605 ( -6.134 -2.284 -1.467) 6.708 15.866 ( 7.461 -7.733 3.059) 11.173 18.422 ( -13.067 8.330 -4.458) 16.125 19.071 ( 25.684 11.560 4.257) 28.486 20.554 ( -3.481 27.466 7.702) 28.737 21.197 ( -4.001 -7.522 18.758) 20.602 23.262 ( -7.601 -20.430 -15.441) 26.713 28.033 ( -0.600 2.516 7.562) 7.993 28.927 ( -5.935 -2.057 7.274) 9.611 29.912 ( 2.193 -1.702 -5.644) 6.290 31.218 ( -8.590 0.526 -5.818) 10.388 31.739 ( 8.562 2.875 -2.368) 9.337 32.010 ( 1.928 8.790 -2.011) 9.221 46.038 ( 10.912 -6.118 9.944) 15.981 50.990 ( -10.535 14.968 -18.919) 26.324 51.078 ( 0.871 19.150 6.711) 20.311 51.592 ( -14.758 2.703 4.261) 15.597 54.775 ( 17.715 -9.028 9.587) 22.074 56.558 ( -1.826 -6.538 -8.150) 10.607 ======================= Grid point 293 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( 16.046 7.377 -6.473) 18.810 4.900 ( -1.636 -9.776 -8.260) 12.903 5.102 ( 28.033 -14.960 25.124) 40.508 8.853 ( -10.076 8.877 -11.734) 17.833 9.437 ( -10.363 -3.736 3.630) 11.599 9.660 ( -2.105 8.027 5.452) 9.929 16.008 ( 13.362 -5.896 6.233) 15.879 18.233 ( -12.839 6.133 -9.244) 16.967 19.703 ( 34.304 9.025 3.101) 35.606 20.681 ( -10.323 11.063 6.938) 16.646 21.186 ( -3.513 0.053 13.150) 13.611 22.805 ( -15.014 -15.214 -13.283) 25.165 28.070 ( -1.150 0.127 5.231) 5.357 28.778 ( -10.701 -3.061 0.091) 11.131 29.955 ( 5.316 -0.142 1.030) 5.416 31.024 ( -10.547 0.882 -5.221) 11.801 31.920 ( 10.294 2.795 -1.332) 10.749 32.107 ( 2.063 5.830 -0.766) 6.231 46.313 ( 20.559 -6.173 11.831) 24.511 50.608 ( -29.468 15.656 -33.680) 47.411 51.306 ( 0.251 6.529 8.780) 10.945 51.429 ( -9.898 0.434 13.711) 16.916 55.131 ( 24.876 -4.719 6.883) 26.238 56.427 ( -3.220 -2.623 -5.492) 6.885 ======================= Grid point 294 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.726 ( -1.579 3.704 -2.854) 4.935 4.799 ( 20.330 6.961 -15.315) 26.387 5.653 ( 34.231 -17.699 28.419) 47.882 8.624 ( -18.222 11.772 -18.389) 28.439 9.239 ( -12.586 -6.924 11.679) 18.513 9.672 ( -2.746 0.332 -1.128) 2.987 16.258 ( 16.199 -4.192 8.644) 18.834 17.997 ( -13.702 5.259 -12.774) 19.457 20.383 ( 22.350 11.885 5.158) 25.834 20.546 ( 0.946 -12.101 1.637) 12.247 21.216 ( -2.148 1.100 5.873) 6.349 22.335 ( -21.422 -3.136 -7.319) 22.854 28.062 ( -1.343 -2.315 2.890) 3.939 28.540 ( -12.354 -2.890 -3.247) 13.096 30.083 ( 7.652 0.111 4.147) 8.704 30.833 ( -10.093 1.900 -4.152) 11.078 32.102 ( 9.096 1.767 -0.938) 9.313 32.179 ( 1.112 3.425 0.417) 3.625 46.740 ( 27.892 -6.326 13.547) 31.647 49.976 ( -37.211 14.311 -31.465) 50.789 51.238 ( -11.225 -6.540 15.380) 20.132 51.472 ( 1.681 0.888 1.394) 2.358 55.561 ( 24.969 -1.560 4.237) 25.374 56.336 ( -4.326 1.964 -2.432) 5.337 ======================= Grid point 295 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( -8.756 12.929 9.888) 18.482 5.237 ( 30.831 11.770 -24.627) 41.177 6.233 ( 35.234 -19.342 28.236) 49.121 8.251 ( -25.937 14.514 -23.041) 37.607 9.013 ( -15.771 -10.200 17.894) 25.941 9.568 ( -2.577 -6.934 -7.150) 10.288 16.556 ( 15.813 -2.825 10.487) 19.183 17.728 ( -14.138 5.947 -15.170) 21.573 20.193 ( -19.595 -9.978 12.411) 25.250 20.860 ( 9.899 -12.662 -17.647) 23.869 21.345 ( 25.354 -0.844 7.181) 26.365 21.994 ( -22.324 14.774 1.215) 26.797 28.022 ( -0.860 -4.306 1.185) 4.548 28.286 ( -12.073 -2.070 -3.729) 12.805 30.255 ( 9.571 -0.240 4.523) 10.589 30.680 ( -8.391 3.241 -3.030) 9.492 32.209 ( -0.398 1.340 1.575) 2.106 32.242 ( 6.400 0.123 -1.389) 6.550 47.276 ( 32.384 -6.439 14.971) 36.253 49.303 ( -36.963 14.785 -27.458) 48.361 51.036 ( -15.645 -8.497 15.558) 23.644 51.452 ( 1.832 -8.614 -5.731) 10.507 55.973 ( 22.320 0.122 1.906) 22.401 56.289 ( -5.247 6.122 0.353) 8.071 ======================= Grid point 296 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.813 ( -10.624 24.042 20.033) 33.048 5.738 ( 33.416 12.963 -28.343) 45.695 6.799 ( 34.034 -19.260 27.168) 47.617 7.766 ( -31.843 16.689 -24.940) 43.755 8.717 ( -20.762 -12.888 21.676) 32.665 9.370 ( -1.661 -13.715 -12.563) 18.673 16.848 ( 12.987 -1.735 12.460) 18.081 17.469 ( -12.856 8.001 -15.995) 22.026 19.830 ( -18.836 -14.716 15.383) 28.425 20.515 ( -9.871 -21.171 -18.508) 29.803 21.751 ( -17.849 25.042 10.956) 32.645 22.038 ( 33.191 -2.269 -4.646) 33.591 27.975 ( 0.443 -5.404 0.731) 5.471 28.055 ( -11.081 -1.032 -2.888) 11.497 30.451 ( 11.168 -0.660 3.455) 11.709 30.580 ( -5.970 4.586 -2.260) 7.860 32.198 ( -2.729 -0.397 2.537) 3.747 32.308 ( 3.690 -1.941 -2.622) 4.925 47.870 ( 33.838 -6.275 16.130) 38.008 48.720 ( -32.224 17.904 -22.902) 43.399 50.731 ( -21.330 -10.416 16.027) 28.642 51.302 ( 1.281 -16.182 -11.854) 20.100 56.278 ( -5.765 9.011 2.302) 10.943 56.328 ( 18.750 0.549 -0.465) 18.764 ======================= Grid point 297 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.052 ( -11.678 32.919 28.315) 44.964 6.251 ( 32.948 13.012 -28.647) 45.558 7.179 ( -30.363 16.319 -17.970) 38.873 7.363 ( 25.699 -15.462 18.005) 34.982 8.327 ( -26.356 -14.505 24.194) 38.606 9.099 ( -0.201 -19.865 -17.360) 26.383 17.106 ( 9.037 -0.901 15.255) 17.754 17.274 ( -9.583 10.719 -14.925) 20.724 19.479 ( -17.776 -14.954 18.534) 29.717 19.999 ( -13.473 -19.978 -16.813) 29.382 21.664 ( -26.867 27.700 9.433) 39.725 22.601 ( 38.743 -7.241 -6.819) 39.999 27.860 ( -9.961 -0.090 -1.476) 10.070 27.951 ( 2.260 -5.442 1.702) 6.133 30.538 ( -3.323 5.421 -1.871) 6.628 30.656 ( 11.991 -0.825 1.421) 12.103 32.145 ( -4.321 -1.686 3.105) 5.581 32.294 ( 0.521 -3.757 -4.396) 5.807 48.285 ( -23.180 21.764 -14.459) 34.929 48.497 ( 30.416 -4.566 13.475) 33.579 50.315 ( -27.231 -11.847 17.579) 34.509 51.048 ( 0.906 -20.973 -16.862) 26.926 56.290 ( -6.224 10.667 3.099) 12.732 56.608 ( 15.586 -0.308 -2.979) 15.871 ======================= Grid point 298 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.393 ( -11.992 38.531 33.635) 52.534 6.581 ( -39.358 20.943 -21.685) 49.577 6.734 ( 26.689 11.651 -26.727) 39.527 7.840 ( 28.582 -16.513 22.560) 39.982 7.864 ( -28.967 -13.213 24.325) 40.068 8.777 ( 2.391 -24.874 -21.226) 32.787 17.177 ( -5.430 12.433 -11.946) 18.077 17.322 ( 5.025 -0.426 18.333) 19.014 19.179 ( -16.065 -10.136 16.904) 25.428 19.506 ( -12.735 -17.323 -10.471) 23.915 21.514 ( -28.556 25.849 8.687) 39.485 23.084 ( 34.486 -10.108 -9.184) 37.091 27.701 ( -8.802 0.831 0.255) 8.845 27.970 ( 4.024 -4.855 3.824) 7.375 30.545 ( -1.145 5.826 -2.111) 6.302 30.846 ( 11.532 -1.688 -1.000) 11.698 32.068 ( -4.824 -1.778 3.186) 6.048 32.203 ( -2.406 -4.482 -6.432) 8.200 48.066 ( -20.044 28.660 -13.868) 37.623 49.069 ( 29.477 -6.254 17.887) 35.042 49.822 ( -30.763 -11.187 20.860) 38.815 50.739 ( 1.607 -22.357 -20.604) 30.446 56.307 ( -6.459 10.713 2.639) 12.785 56.810 ( 12.880 -1.801 -5.479) 14.112 ======================= Grid point 306 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.234 ( 0.000 -2.830 13.898) 14.183 4.442 ( 0.000 -6.730 13.941) 15.480 4.980 ( -0.000 -10.700 -10.095) 14.711 9.007 ( -0.000 5.992 -5.640) 8.229 9.628 ( -0.000 -0.612 -3.304) 3.360 9.698 ( 0.000 8.303 5.715) 10.080 15.762 ( 0.000 -6.114 6.263) 8.752 18.667 ( -0.000 5.779 -7.036) 9.105 18.858 ( -0.000 7.817 0.688) 7.847 20.880 ( -0.000 21.352 6.379) 22.284 21.247 ( 0.000 -9.275 14.593) 17.291 23.067 ( -0.000 -13.956 -13.135) 19.165 28.091 ( 0.000 0.242 5.203) 5.209 28.979 ( 0.000 -2.988 -0.235) 2.997 29.867 ( 0.000 0.147 0.518) 0.538 31.288 ( -0.000 2.095 -5.418) 5.809 31.657 ( -0.000 1.994 -1.860) 2.727 32.061 ( -0.000 6.341 -0.409) 6.354 45.953 ( 0.000 -6.177 11.821) 13.338 51.076 ( -0.000 11.642 -22.829) 25.627 51.265 ( 0.000 11.249 7.252) 13.384 51.777 ( -0.000 6.550 -4.544) 7.972 54.598 ( 0.000 -9.814 15.322) 18.195 56.483 ( -0.000 -3.208 -5.226) 6.131 ======================= Grid point 307 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 4.025 -1.534 1.828) 4.680 4.659 ( 21.117 -11.844 18.401) 30.410 4.881 ( -1.596 0.106 -0.700) 1.746 8.992 ( -4.664 5.991 -6.275) 9.850 9.558 ( -5.522 -0.351 -1.843) 5.832 9.743 ( -1.214 0.282 -1.087) 1.654 15.826 ( 7.580 -4.136 9.407) 12.769 18.460 ( -14.481 4.439 -9.985) 18.141 19.218 ( 27.431 2.413 -2.715) 27.670 20.968 ( -8.585 3.283 4.047) 10.043 21.241 ( 0.801 -6.283 7.607) 9.898 22.854 ( -8.286 -1.380 -7.310) 11.136 28.099 ( -0.659 -2.308 2.600) 3.538 28.870 ( -5.909 -3.492 -6.822) 9.677 29.918 ( 2.287 1.474 6.188) 6.760 31.185 ( -9.361 2.726 -4.575) 10.770 31.763 ( 9.382 1.925 -1.124) 9.643 32.124 ( 1.426 3.644 0.755) 3.985 46.063 ( 10.914 -6.269 13.594) 18.526 50.927 ( -14.145 14.062 -30.664) 36.580 51.364 ( 1.159 1.107 1.631) 2.287 51.683 ( -12.052 0.679 2.875) 12.409 54.770 ( 17.530 -6.821 14.519) 23.762 56.438 ( -1.584 1.271 -1.755) 2.685 ======================= Grid point 308 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.408 ( 15.945 2.100 -11.375) 19.699 4.913 ( -3.814 12.508 8.176) 15.422 5.090 ( 30.521 -18.201 23.390) 42.543 8.875 ( -11.254 7.905 -11.124) 17.689 9.426 ( -9.125 -2.334 4.138) 10.287 9.653 ( -2.086 -7.501 -7.562) 10.854 16.037 ( 13.013 -2.357 11.586) 17.582 18.193 ( -13.493 3.937 -13.698) 19.627 19.718 ( 35.601 -5.003 -6.964) 36.619 20.777 ( -12.605 -7.304 5.908) 15.720 21.182 ( -0.508 -12.054 -2.302) 12.282 22.693 ( -15.688 14.340 0.655) 21.264 28.058 ( -1.061 -4.712 0.225) 4.835 28.658 ( -9.080 -2.991 -8.902) 13.063 30.031 ( 3.822 1.612 7.884) 8.908 31.017 ( -10.883 3.770 -3.478) 12.032 31.943 ( 10.269 0.981 -0.781) 10.345 32.184 ( 1.814 1.377 1.883) 2.955 46.356 ( 20.499 -6.402 15.086) 26.245 50.494 ( -29.431 16.155 -35.230) 48.665 51.345 ( 0.617 -7.944 -1.599) 8.127 51.496 ( -10.254 -6.873 8.624) 15.058 55.163 ( 24.160 -2.961 10.338) 26.445 56.433 ( -3.063 5.692 1.529) 6.642 ======================= Grid point 309 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 25.954 5.610 -21.568) 34.209 5.081 ( -5.515 22.307 17.029) 28.601 5.606 ( 35.264 -21.048 25.447) 48.313 8.627 ( -18.746 11.176 -17.588) 28.030 9.257 ( -12.042 -6.264 11.624) 17.871 9.444 ( -2.328 -14.415 -13.075) 19.600 16.338 ( 15.475 -1.112 12.620) 20.000 17.916 ( -13.169 4.700 -16.726) 21.801 20.081 ( 20.861 -22.930 -9.868) 32.532 20.610 ( -2.706 -0.163 4.545) 5.292 21.000 ( 5.157 -18.479 -5.283) 19.899 22.604 ( -20.582 24.768 6.330) 32.820 27.982 ( -0.778 -6.514 -1.370) 6.702 28.418 ( -9.945 -1.965 -8.185) 13.029 30.168 ( 5.376 1.166 7.176) 9.042 30.863 ( -10.229 5.161 -2.398) 11.705 32.099 ( 8.389 -0.804 -1.018) 8.489 32.229 ( 0.976 -0.393 3.013) 3.191 46.798 ( 27.815 -6.438 16.112) 32.783 49.890 ( -35.096 16.800 -32.023) 50.393 51.215 ( 0.333 -15.488 -6.023) 16.622 51.296 ( -10.264 -10.973 9.395) 17.720 55.607 ( 23.694 -0.365 6.286) 24.517 56.458 ( -4.502 8.957 3.944) 10.773 ======================= Grid point 310 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.110 ( 32.224 8.524 -27.485) 43.203 5.361 ( -6.330 29.965 23.434) 38.563 6.163 ( 36.812 -22.159 26.181) 50.315 8.257 ( -25.288 14.489 -22.007) 36.520 9.030 ( -14.880 -11.395 15.048) 24.036 9.145 ( -3.101 -19.410 -15.521) 25.045 16.672 ( 15.353 -0.308 13.049) 20.152 17.647 ( -12.025 6.313 -18.450) 22.910 19.900 ( -2.592 -27.705 3.672) 28.067 20.397 ( -11.848 -14.020 -13.501) 22.786 21.259 ( 36.373 -7.539 -2.189) 37.211 22.540 ( -23.703 28.237 8.720) 37.884 27.901 ( 0.532 -7.326 -1.659) 7.531 28.195 ( -9.616 -0.798 -6.312) 11.530 30.321 ( 7.201 0.724 5.415) 9.039 30.748 ( -8.669 6.528 -1.508) 10.956 32.188 ( 5.223 -3.015 -1.446) 6.202 32.242 ( -0.636 -1.730 3.549) 4.000 47.347 ( 32.448 -6.157 16.618) 36.972 49.302 ( -32.951 19.062 -26.773) 46.539 50.983 ( 2.013 -23.100 -14.544) 27.371 51.044 ( -15.613 -11.493 14.299) 24.090 56.009 ( 20.322 0.662 2.618) 20.501 56.497 ( -5.760 10.711 5.204) 13.228 ======================= Grid point 311 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.597 ( 34.288 11.080 -27.977) 45.619 5.723 ( -5.995 34.400 25.690) 43.350 6.725 ( 36.367 -21.786 25.991) 49.727 7.798 ( -30.674 17.402 -24.283) 42.818 8.719 ( -14.200 -17.762 10.319) 24.972 8.777 ( -7.664 -21.174 -10.661) 24.914 16.997 ( 13.433 0.254 13.705) 19.192 17.425 ( -9.028 8.126 -18.001) 21.715 19.617 ( -5.954 -24.538 13.378) 28.575 19.917 ( -14.434 -16.783 -17.654) 28.313 21.812 ( 39.813 -8.734 -6.580) 41.287 22.451 ( -26.247 28.102 9.497) 39.608 27.849 ( 2.723 -7.147 -0.541) 7.667 28.005 ( -8.913 0.291 -4.041) 9.790 30.489 ( 8.816 0.458 3.138) 9.369 30.680 ( -6.693 7.578 -0.886) 10.150 32.196 ( 0.402 -4.449 0.927) 4.562 32.217 ( -1.075 -3.113 0.454) 3.324 47.958 ( 34.361 -5.399 16.722) 38.593 48.854 ( -26.892 23.151 -21.203) 41.336 50.670 ( 2.800 -27.388 -19.648) 33.823 50.718 ( -21.471 -11.833 17.976) 30.400 56.327 ( 16.257 0.252 -0.947) 16.287 56.532 ( -6.695 11.126 5.317) 14.032 ======================= Grid point 312 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.124 ( 35.399 11.715 -31.159) 48.592 6.124 ( -7.554 36.513 31.159) 48.592 7.275 ( -34.579 19.559 -25.205) 47.048 7.275 ( 34.228 -20.167 25.205) 47.048 8.348 ( 0.788 -29.311 -24.626) 38.291 8.348 ( -25.778 -13.974 24.626) 38.291 17.291 ( -4.788 9.157 -15.283) 18.448 17.291 ( 10.324 0.432 15.283) 18.448 19.407 ( -10.911 -16.098 -22.907) 30.049 19.407 ( -8.486 -17.498 22.907) 30.049 22.314 ( 36.854 -11.426 -9.916) 39.838 22.314 ( -28.322 26.204 9.916) 39.838 27.852 ( -7.698 1.022 -1.596) 7.928 27.852 ( 4.734 -6.156 1.596) 7.928 30.656 ( 2.263 3.865 -1.199) 4.637 30.656 ( 2.216 3.893 1.199) 4.637 32.145 ( -0.799 -4.977 -5.140) 7.199 32.145 ( -3.910 -3.181 5.140) 7.199 48.588 ( -19.258 26.320 -17.066) 36.808 48.588 ( 32.423 -3.517 17.066) 36.808 50.324 ( 3.428 -27.955 -21.477) 35.419 50.324 ( -25.924 -11.009 21.477) 35.419 56.548 ( 12.698 -1.190 -4.451) 13.508 56.548 ( -7.379 10.402 4.451) 13.508 ======================= Grid point 322 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( 0.000 -10.218 9.244) 13.779 4.410 ( 0.000 -10.695 8.378) 13.586 4.979 ( 0.000 12.017 7.857) 14.358 9.052 ( -0.000 4.415 -3.432) 5.592 9.591 ( -0.000 1.723 -4.304) 4.636 9.690 ( -0.000 -7.814 -7.751) 11.006 15.799 ( 0.000 -2.045 12.687) 12.851 18.598 ( -0.000 1.190 -15.383) 15.429 18.905 ( -0.000 -1.659 -3.083) 3.502 21.016 ( -0.000 -9.154 -6.569) 11.268 21.175 ( 0.000 -11.591 6.622) 13.350 22.966 ( -0.000 13.709 0.171) 13.710 28.078 ( 0.000 -4.744 -0.022) 4.744 28.823 ( -0.000 -3.710 -12.177) 12.730 29.975 ( 0.000 2.821 10.160) 10.544 31.286 ( -0.000 3.741 -4.210) 5.632 31.681 ( -0.000 1.621 0.021) 1.621 32.142 ( 0.000 1.154 1.952) 2.267 45.997 ( 0.000 -6.340 15.241) 16.507 50.988 ( -0.000 11.655 -28.161) 30.478 51.309 ( -0.000 -8.213 -4.837) 9.532 51.804 ( -0.000 2.412 -5.623) 6.119 54.649 ( 0.000 -7.276 19.950) 21.235 56.485 ( -0.000 5.572 1.924) 5.895 ======================= Grid point 323 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 3.590 -7.821 -3.237) 9.194 4.577 ( 22.869 -17.572 14.787) 32.410 5.201 ( -1.741 21.698 15.625) 26.795 9.027 ( -5.540 4.455 -4.704) 8.524 9.498 ( -1.230 -15.418 -13.865) 20.772 9.548 ( -4.429 1.662 -2.455) 5.330 15.935 ( 6.930 -0.211 14.953) 16.482 18.343 ( -12.299 0.258 -16.853) 20.865 19.093 ( 24.423 -8.207 -8.487) 27.126 20.793 ( -2.942 -17.493 -7.069) 19.096 21.060 ( -2.883 -14.067 0.661) 14.375 23.099 ( -7.882 22.970 5.123) 24.819 28.010 ( -0.566 -6.828 -2.183) 7.191 28.670 ( -4.212 -3.234 -13.547) 14.551 30.078 ( 0.672 3.282 10.840) 11.345 31.211 ( -8.983 4.597 -3.014) 10.531 31.785 ( 8.621 0.918 0.208) 8.672 32.172 ( 1.550 -1.007 3.125) 3.631 46.125 ( 10.812 -6.416 16.577) 20.805 50.803 ( -14.572 13.389 -32.778) 38.289 51.148 ( 1.556 -17.850 -10.963) 21.005 51.683 ( -10.673 -2.068 1.445) 10.967 54.860 ( 16.355 -4.529 17.957) 24.708 56.565 ( -1.655 9.084 4.778) 10.397 ======================= Grid point 324 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( 17.138 -3.243 -16.264) 23.848 4.958 ( 32.397 -22.996 20.416) 44.668 5.523 ( -2.947 28.725 21.470) 35.983 8.886 ( -12.123 6.295 -10.159) 17.023 9.185 ( -1.608 -22.648 -19.520) 29.942 9.456 ( -8.121 -0.250 4.180) 9.137 16.191 ( 11.525 0.843 15.469) 19.309 18.041 ( -11.067 1.228 -19.800) 22.716 19.363 ( 28.087 -17.746 -12.476) 35.489 20.580 ( 3.924 -16.698 -3.105) 17.431 20.805 ( -8.725 -16.267 -3.554) 18.798 23.195 ( -14.247 26.753 7.405) 31.202 27.907 ( -0.608 -8.217 -3.491) 8.948 28.472 ( -6.285 -2.295 -12.268) 13.974 30.186 ( 1.164 3.039 9.537) 10.077 31.081 ( -10.334 6.022 -1.864) 12.105 31.939 ( 8.838 -0.871 -0.085) 8.881 32.210 ( 2.160 -2.531 4.391) 5.510 46.431 ( 20.299 -6.379 17.309) 27.429 50.376 ( -27.051 15.900 -34.697) 46.780 50.885 ( 2.696 -25.790 -16.324) 30.641 51.485 ( -11.538 -7.047 10.671) 17.224 55.265 ( 22.291 -1.169 12.567) 25.616 56.656 ( -3.433 11.125 6.435) 13.302 ======================= Grid point 325 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.477 ( 28.585 1.586 -26.091) 38.735 5.451 ( 37.584 -25.319 23.971) 51.266 5.911 ( -3.652 32.686 25.100) 41.373 8.623 ( -17.839 8.592 -16.157) 25.556 8.778 ( -1.457 -27.870 -23.826) 36.695 9.313 ( -12.541 -3.787 11.335) 17.324 16.510 ( 13.868 1.211 14.465) 20.075 17.753 ( -9.876 2.552 -22.270) 24.495 19.465 ( 16.945 -25.827 -9.665) 32.367 20.407 ( -10.558 -21.885 -8.424) 25.718 20.662 ( 20.288 -7.734 -0.266) 21.714 23.226 ( -19.066 27.464 8.373) 34.466 27.799 ( 0.380 -8.635 -3.553) 9.345 28.276 ( -6.827 -1.156 -9.794) 11.995 30.295 ( 2.494 2.630 7.405) 8.244 30.968 ( -9.811 7.542 -0.909) 12.408 32.050 ( 6.621 -3.014 -0.654) 7.304 32.241 ( 1.186 -3.587 5.439) 6.622 46.883 ( 27.679 -5.976 17.222) 33.143 49.843 ( -30.289 17.846 -30.644) 46.637 50.552 ( 3.847 -30.857 -19.775) 36.851 51.280 ( -12.912 -9.664 14.723) 21.837 55.696 ( 21.118 0.858 7.212) 22.332 56.737 ( -5.182 11.755 6.965) 14.613 ======================= Grid point 326 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.884 ( 36.014 5.797 -31.744) 48.356 6.009 ( 39.669 -25.366 25.472) 53.534 6.328 ( -4.254 33.842 26.622) 43.268 8.265 ( -20.881 8.163 -20.540) 30.406 8.319 ( -2.097 -28.180 -26.266) 38.580 9.090 ( -17.881 -7.493 16.977) 25.770 16.847 ( 14.541 1.431 13.025) 19.574 17.499 ( -7.251 3.520 -22.259) 23.673 19.371 ( 7.240 -24.047 -3.915) 25.417 19.928 ( -14.082 -22.073 -7.002) 27.103 21.050 ( 34.424 -8.976 -5.184) 35.951 23.189 ( -22.795 26.588 8.874) 36.129 27.721 ( 2.464 -8.159 -2.322) 8.834 28.106 ( -6.631 0.004 -6.901) 9.571 30.415 ( 4.381 2.419 4.926) 7.022 30.889 ( -8.622 8.716 -0.002) 12.259 32.092 ( 3.689 -4.639 -1.582) 6.134 32.240 ( -0.915 -4.387 6.013) 7.499 47.442 ( 32.597 -4.926 16.217) 36.740 49.378 ( -26.378 20.584 -24.324) 41.366 50.185 ( 4.773 -33.120 -21.466) 39.755 51.034 ( -16.413 -10.766 17.407) 26.235 56.057 ( 16.956 1.090 2.162) 17.128 56.791 ( -6.710 11.359 6.587) 14.746 ======================= Grid point 337 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 0.000 -18.333 5.410) 19.114 4.229 ( 0.000 -15.564 3.571) 15.968 5.572 ( 0.000 28.149 20.927) 35.075 9.084 ( -0.000 0.097 -2.841) 2.843 9.217 ( -0.000 -21.327 -18.989) 28.555 9.595 ( -0.000 4.645 -4.924) 6.769 15.986 ( 0.000 1.745 17.732) 17.817 18.335 ( -0.000 -3.581 -23.923) 24.190 18.714 ( -0.000 -11.200 -7.472) 13.464 20.537 ( 0.000 -23.598 -11.315) 26.171 20.968 ( 0.000 -13.492 0.085) 13.493 23.442 ( -0.000 25.910 6.745) 26.773 27.921 ( 0.000 -8.418 -3.924) 9.287 28.583 ( -0.000 -3.126 -15.175) 15.494 30.183 ( 0.000 4.492 11.438) 12.288 31.325 ( -0.000 4.695 -2.927) 5.533 31.717 ( 0.000 1.027 1.483) 1.804 32.159 ( 0.000 -3.280 4.377) 5.470 46.077 ( 0.000 -6.437 17.840) 18.966 50.833 ( -0.000 -26.516 -16.156) 31.050 50.850 ( -0.000 11.132 -30.161) 32.149 51.764 ( -0.000 0.852 -5.152) 5.222 54.795 ( 0.000 -4.652 22.362) 22.841 56.715 ( 0.000 11.357 6.826) 13.251 ======================= Grid point 338 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 4.281 -14.709 -7.669) 17.131 4.339 ( 25.023 -23.569 11.463) 36.235 5.993 ( -1.204 31.641 24.144) 39.819 8.784 ( -0.374 -31.102 -25.019) 39.918 9.061 ( -6.511 2.601 -4.084) 8.113 9.586 ( -3.859 5.030 -2.126) 6.687 16.169 ( 5.405 2.758 18.535) 19.503 18.052 ( -7.397 -3.644 -25.513) 26.812 18.713 ( 18.806 -16.855 -11.833) 27.888 20.258 ( 3.138 -24.372 -9.158) 26.225 20.782 ( -5.438 -13.697 -2.389) 14.929 23.678 ( -7.121 26.313 7.085) 28.165 27.804 ( -0.314 -9.280 -4.805) 10.455 28.440 ( -2.604 -2.607 -14.291) 14.759 30.289 ( -0.962 4.879 10.328) 11.463 31.283 ( -7.525 5.697 -1.768) 9.602 31.801 ( 6.648 -0.250 1.262) 6.771 32.168 ( 2.074 -4.844 5.791) 7.830 46.216 ( 10.634 -6.387 18.477) 22.255 50.446 ( 1.850 -32.716 -20.052) 38.417 50.656 ( -13.759 12.529 -32.314) 37.289 51.656 ( -8.931 -2.322 1.199) 9.305 55.025 ( 14.602 -2.244 19.518) 24.479 56.860 ( -1.927 12.268 7.659) 14.590 ======================= Grid point 339 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 20.029 -8.466 -21.172) 30.349 4.697 ( 35.979 -28.425 18.536) 49.458 6.431 ( -1.924 32.438 25.350) 41.213 8.280 ( 0.698 -37.660 -29.445) 47.810 8.895 ( -13.069 5.225 -8.791) 16.595 9.533 ( -8.269 3.033 4.289) 9.796 16.427 ( 8.969 2.606 16.575) 19.026 17.742 ( -6.537 -2.408 -27.858) 28.716 18.819 ( 23.035 -20.899 -10.928) 32.967 20.063 ( 7.434 -25.857 -8.953) 28.356 20.530 ( -5.427 -11.088 -2.192) 12.538 23.802 ( -13.037 25.556 7.123) 29.560 27.681 ( 0.195 -9.257 -4.617) 10.347 28.282 ( -3.716 -1.800 -11.999) 12.689 30.372 ( -1.277 4.662 8.393) 9.685 31.198 ( -8.961 7.486 -0.636) 11.694 31.910 ( 6.570 -2.497 0.779) 7.072 32.200 ( 2.801 -5.549 7.061) 9.408 46.528 ( 20.049 -6.011 18.041) 27.633 50.028 ( 3.974 -36.419 -22.278) 42.877 50.267 ( -23.368 14.990 -32.004) 42.367 51.476 ( -10.909 -6.529 9.598) 15.930 55.418 ( 19.543 0.558 13.192) 23.585 56.976 ( -3.973 12.070 7.563) 14.788 ======================= Grid point 340 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 33.143 -1.610 -30.550) 45.104 5.201 ( 41.846 -29.580 22.493) 55.964 6.848 ( -2.570 28.506 22.784) 36.583 7.748 ( 3.418 -38.988 -29.322) 48.903 8.626 ( -18.264 8.204 -13.456) 24.124 9.407 ( -14.128 -0.117 10.498) 17.601 16.717 ( 11.932 2.326 13.023) 17.815 17.453 ( -4.450 -2.123 -27.837) 28.270 18.916 ( 17.119 -19.355 -6.921) 26.750 19.783 ( -2.761 -28.786 -9.708) 30.505 20.503 ( 15.924 -8.308 -2.164) 18.091 23.828 ( -17.758 24.163 7.275) 30.856 27.586 ( 1.835 -8.448 -3.320) 9.260 28.140 ( -3.842 -0.815 -9.075) 9.888 30.448 ( -0.060 4.534 6.154) 7.644 31.126 ( -8.906 8.869 0.420) 12.576 31.975 ( 4.551 -4.071 -0.003) 6.107 32.228 ( 1.443 -5.943 7.837) 9.940 46.983 ( 27.621 -4.920 16.139) 32.366 49.610 ( 5.323 -37.551 -22.391) 44.043 49.835 ( -23.352 16.937 -26.629) 39.259 51.280 ( -12.619 -8.488 14.537) 21.039 55.808 ( 17.338 1.747 6.394) 18.562 57.050 ( -5.934 11.172 6.836) 14.379 ======================= Grid point 352 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 0.000 -26.608 2.842) 26.759 3.886 ( 0.000 -21.967 -0.395) 21.971 6.463 ( 0.000 31.893 24.939) 40.486 8.268 ( -0.000 -39.480 -30.892) 50.130 9.126 ( -0.000 1.047 -0.245) 1.075 9.662 ( -0.000 8.613 -4.528) 9.731 16.282 ( 0.000 3.977 20.540) 20.921 17.882 ( -0.000 -7.348 -31.992) 32.825 18.315 ( -0.000 -17.064 -11.074) 20.342 19.930 ( 0.000 -25.742 -8.237) 27.028 20.674 ( 0.000 -13.425 -4.760) 14.243 24.027 ( -0.000 24.984 6.290) 25.763 27.683 ( -0.000 -9.625 -5.272) 10.975 28.346 ( -0.000 -2.621 -14.083) 14.325 30.417 ( 0.000 6.116 9.669) 11.441 31.391 ( -0.000 4.946 -1.662) 5.217 31.754 ( 0.000 0.431 2.223) 2.265 32.130 ( 0.000 -6.901 7.461) 10.163 46.180 ( 0.000 -6.421 19.209) 20.254 49.954 ( -0.000 -37.536 -22.872) 43.955 50.694 ( -0.000 10.627 -29.374) 31.237 51.717 ( -0.000 0.241 -4.257) 4.264 55.006 ( 0.000 -2.283 22.796) 22.910 57.044 ( 0.000 12.351 7.800) 14.608 ======================= Grid point 353 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 5.880 -21.593 -11.147) 25.002 3.944 ( 28.745 -30.427 9.804) 42.991 6.907 ( -0.917 29.532 23.750) 37.909 7.660 ( 1.508 -45.626 -34.493) 57.217 9.068 ( -7.463 1.429 -1.924) 7.839 9.702 ( -3.729 9.365 -1.359) 10.171 16.468 ( 2.760 3.510 18.952) 19.471 17.580 ( -2.399 -6.982 -34.109) 34.899 18.221 ( 16.370 -17.696 -10.613) 26.339 19.664 ( 3.619 -26.544 -7.200) 27.740 20.474 ( -4.037 -12.585 -6.042) 14.533 24.243 ( -6.457 23.345 5.635) 24.869 27.559 ( 0.121 -9.200 -4.874) 10.411 28.228 ( -1.338 -2.320 -12.356) 12.642 30.513 ( -2.382 6.346 8.157) 10.605 31.386 ( -5.189 6.315 -0.602) 8.196 31.807 ( 3.938 -1.273 2.133) 4.656 32.134 ( 2.863 -7.695 9.061) 12.228 46.324 ( 10.411 -6.243 18.844) 22.416 49.455 ( 2.756 -39.899 -24.072) 46.680 50.513 ( -12.517 11.713 -29.532) 34.147 51.626 ( -7.372 -2.003 0.910) 7.694 55.240 ( 12.591 -0.343 19.255) 23.009 57.189 ( -2.170 11.632 7.221) 13.862 ======================= Grid point 354 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 24.920 -12.527 -25.542) 37.820 4.316 ( 41.258 -33.924 18.534) 56.538 6.943 ( 0.599 -42.961 -30.712) 52.813 7.383 ( 3.073 19.245 15.996) 25.213 8.890 ( -13.431 3.375 -5.392) 14.862 9.687 ( -9.430 7.779 4.108) 12.896 16.667 ( 6.154 2.418 13.100) 14.674 17.267 ( -1.533 -7.187 -33.379) 34.178 18.367 ( 23.140 -13.848 -6.102) 27.649 19.411 ( 3.196 -29.207 -9.209) 30.790 20.278 ( 0.659 -10.888 -4.537) 11.814 24.338 ( -11.925 21.547 5.390) 25.209 27.458 ( 1.191 -8.107 -3.600) 8.950 28.114 ( -1.600 -1.738 -9.793) 10.074 30.568 ( -3.036 6.196 6.307) 9.348 31.351 ( -7.191 8.254 0.452) 10.957 31.868 ( 4.270 -3.267 1.806) 5.672 32.175 ( 3.355 -7.535 9.988) 12.953 46.631 ( 19.773 -5.400 16.568) 26.356 48.992 ( 5.827 -40.084 -23.022) 46.591 50.181 ( -19.038 13.398 -26.927) 35.595 51.473 ( -9.692 -4.976 8.500) 13.818 55.596 ( 15.941 1.690 11.663) 19.825 57.283 ( -4.366 10.458 6.237) 12.936 ======================= Grid point 367 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 0.000 -34.339 2.995) 34.469 3.364 ( 0.000 -29.989 -2.442) 30.089 6.932 ( -0.000 -53.525 -38.997) 66.225 7.327 ( 0.000 25.948 21.734) 33.847 9.137 ( 0.000 -0.474 1.287) 1.372 9.830 ( -0.000 13.553 -2.793) 13.837 16.604 ( 0.000 2.379 18.635) 18.787 17.306 ( -0.000 -6.687 -36.127) 36.741 17.837 ( -0.000 -16.515 -11.500) 20.124 19.339 ( 0.000 -26.913 -5.330) 27.436 20.343 ( -0.000 -11.880 -9.082) 14.954 24.543 ( -0.000 21.164 4.414) 21.620 27.443 ( -0.000 -8.492 -4.429) 9.578 28.141 ( -0.000 -2.526 -11.204) 11.485 30.651 ( 0.000 7.238 7.081) 10.126 31.477 ( -0.000 4.857 0.150) 4.859 31.788 ( 0.000 0.162 2.366) 2.372 32.085 ( 0.000 -9.449 11.583) 14.948 46.291 ( 0.000 -6.436 18.980) 20.041 48.885 ( -0.000 -41.054 -24.680) 47.901 50.551 ( -0.000 10.350 -27.197) 29.100 51.674 ( -0.000 0.420 -3.600) 3.625 55.252 ( 0.000 -0.720 21.569) 21.581 57.358 ( 0.000 10.623 6.299) 12.350 ======================= Grid point 368 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 8.083 -27.401 -13.079) 31.420 3.410 ( 34.974 -37.747 11.836) 52.802 6.157 ( 2.573 -58.920 -40.837) 71.735 7.689 ( 1.248 21.296 18.163) 28.017 9.073 ( -7.763 0.008 0.754) 7.800 9.924 ( -4.505 14.236 0.143) 14.932 16.684 ( 1.662 -2.674 2.715) 4.158 17.026 ( -3.758 -4.449 -26.055) 26.698 17.829 ( 21.234 -10.563 -6.742) 24.656 19.052 ( 0.751 -28.092 -5.961) 28.727 20.147 ( -2.012 -11.259 -9.618) 14.943 24.712 ( -5.861 19.044 3.716) 20.269 27.347 ( 0.651 -7.255 -3.326) 8.008 28.050 ( -0.358 -2.395 -9.087) 9.404 30.729 ( -3.384 7.106 5.581) 9.648 31.513 ( -2.463 6.671 0.734) 7.149 31.807 ( 1.140 -1.847 3.039) 3.734 32.103 ( 3.543 -9.138 13.017) 16.294 46.427 ( 10.057 -6.125 17.230) 20.870 48.375 ( 3.997 -39.938 -23.167) 46.344 50.392 ( -10.910 10.751 -25.791) 29.997 51.606 ( -5.798 -1.016 0.675) 5.925 55.468 ( 10.277 0.610 16.912) 19.799 57.470 ( -2.280 9.314 5.123) 10.872 ======================= Grid point 382 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.000 -41.096 7.729) 41.816 2.674 ( 0.000 -39.184 0.130) 39.184 5.265 ( -0.000 -65.647 -43.374) 78.682 7.956 ( 0.000 15.747 14.467) 21.384 9.147 ( 0.000 -1.161 3.385) 3.579 10.115 ( -0.000 17.196 -0.399) 17.200 16.484 ( -0.000 -10.645 -29.338) 31.209 17.094 ( 0.000 6.341 6.442) 9.039 17.436 ( -0.000 -10.900 -9.296) 14.325 18.754 ( 0.000 -27.300 -4.006) 27.592 19.991 ( -0.000 -10.127 -13.605) 16.960 24.953 ( -0.000 16.679 2.546) 16.872 27.258 ( 0.000 -6.029 -2.583) 6.559 27.977 ( -0.000 -2.633 -7.364) 7.821 30.862 ( 0.000 7.197 4.270) 8.368 31.586 ( 0.000 4.745 2.460) 5.345 31.819 ( 0.000 0.247 2.086) 2.101 32.063 ( 0.000 -10.188 16.703) 19.565 46.386 ( 0.000 -6.595 17.051) 18.282 47.822 ( -0.000 -37.428 -22.059) 43.444 50.430 ( -0.000 9.751 -24.635) 26.494 51.647 ( -0.000 1.140 -3.331) 3.521 55.490 ( 0.000 -0.395 18.475) 18.480 57.601 ( -0.000 7.953 3.823) 8.824 ======================= Grid point 429 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 -0.000 58.757) 58.757 2.225 ( 0.000 -0.000 58.757) 58.757 3.124 ( 0.000 -0.000 80.971) 80.971 8.348 ( -0.000 0.000 -6.201) 6.201 8.348 ( -0.000 0.000 -6.201) 6.201 10.610 ( -0.000 0.000 -9.002) 9.002 17.311 ( 0.000 0.000 -3.526) 3.526 17.311 ( -0.000 -0.000 -3.526) 3.526 17.408 ( 0.000 0.000 -0.726) 0.726 17.408 ( -0.000 -0.000 -0.726) 0.726 23.575 ( 0.000 -0.000 3.026) 3.026 25.368 ( -0.000 0.000 -6.222) 6.222 27.321 ( 0.000 -0.000 12.768) 12.768 28.083 ( 0.000 -0.000 14.929) 14.929 28.083 ( 0.000 -0.000 14.929) 14.929 30.996 ( -0.000 0.000 -8.438) 8.438 31.766 ( -0.000 0.000 -5.361) 5.361 31.766 ( -0.000 0.000 -5.361) 5.361 46.553 ( 0.000 -0.000 11.309) 11.309 46.553 ( 0.000 -0.000 11.309) 11.309 51.449 ( -0.000 0.000 -11.766) 11.766 51.449 ( -0.000 0.000 -11.766) 11.766 55.674 ( 0.000 -0.000 6.112) 6.112 57.738 ( -0.000 0.000 -6.599) 6.599 ======================= Grid point 430 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -2.458 -1.419 50.245) 50.325 3.127 ( 27.861 16.086 54.139) 62.977 3.943 ( 24.027 13.872 73.033) 78.125 8.276 ( 0.818 0.472 -13.319) 13.352 8.380 ( 1.844 1.065 -5.539) 5.935 10.474 ( -6.938 -4.006 -9.867) 12.710 17.029 ( -7.962 -4.597 -4.380) 10.184 17.298 ( -2.937 -1.696 6.280) 7.137 17.597 ( 11.259 6.500 -4.633) 13.802 17.662 ( 18.141 10.474 -0.360) 20.950 22.437 ( -73.954 -42.698 45.729) 96.869 25.265 ( -5.621 -3.245 -7.286) 9.757 27.266 ( -2.597 -1.499 11.305) 11.695 28.188 ( 0.600 0.347 16.923) 16.937 29.371 ( 69.033 39.856 -18.173) 81.758 30.907 ( -2.805 -1.620 -9.927) 10.442 31.694 ( -2.551 -1.473 -6.619) 7.244 31.755 ( 1.599 0.923 -5.576) 5.873 46.462 ( -1.889 -1.091 7.444) 7.757 46.960 ( 16.589 9.578 18.791) 26.833 51.240 ( -6.345 -3.663 -16.840) 18.365 51.350 ( -7.592 -4.383 -0.550) 8.783 55.659 ( -2.074 -1.197 4.738) 5.309 57.667 ( -2.477 -1.430 -7.687) 8.202 ======================= Grid point 431 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 21.661 12.506 27.244) 36.984 4.090 ( 29.538 17.054 48.180) 59.031 4.965 ( 28.522 16.467 63.693) 71.704 8.165 ( -2.275 -1.314 -19.280) 19.458 8.360 ( -0.474 -0.274 -6.393) 6.416 10.189 ( -12.934 -7.467 -8.915) 17.393 16.900 ( -1.522 -0.879 -3.762) 4.152 17.367 ( 3.361 1.941 12.619) 13.203 17.837 ( 13.542 7.818 -9.314) 18.201 18.142 ( 23.530 13.585 5.301) 27.683 21.378 ( -47.664 -27.519 52.770) 76.249 25.024 ( -11.516 -6.649 -8.791) 15.941 27.319 ( 0.700 0.404 10.491) 10.522 28.307 ( 0.194 0.112 18.021) 18.023 30.485 ( 42.692 24.648 -22.649) 54.251 30.758 ( -4.410 -2.546 -11.160) 12.267 31.574 ( -4.024 -2.323 -7.601) 8.909 31.773 ( 2.883 1.665 -4.596) 5.675 46.555 ( 6.923 3.997 4.103) 8.985 47.516 ( 20.878 12.054 24.585) 34.432 50.960 ( -8.150 -4.705 -21.847) 23.787 51.164 ( -11.493 -6.635 11.435) 17.517 55.686 ( 3.158 1.823 0.468) 3.676 57.532 ( -5.000 -2.886 -8.979) 10.674 ======================= Grid point 432 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 32.604 18.824 7.303) 38.350 5.019 ( 28.394 16.393 42.154) 53.404 5.959 ( 27.325 15.776 54.672) 63.124 7.934 ( -6.782 -3.915 -22.892) 24.194 8.270 ( -3.513 -2.028 -9.858) 10.660 9.806 ( -16.981 -9.804 -4.678) 20.158 16.901 ( 2.949 1.702 -2.340) 4.131 17.565 ( 5.830 3.366 15.701) 17.083 18.067 ( 12.972 7.490 -14.526) 20.866 18.770 ( 26.751 15.445 12.859) 33.460 20.880 ( -23.959 -13.833 42.423) 50.647 24.641 ( -17.320 -10.000 -10.800) 22.729 27.414 ( 1.910 1.103 10.671) 10.896 28.401 ( -1.881 -1.086 17.572) 17.706 30.594 ( -3.619 -2.089 -11.037) 11.801 31.072 ( 20.254 11.694 -16.171) 28.434 31.446 ( -1.002 -0.578 -9.341) 9.412 31.828 ( 3.976 2.296 -2.702) 5.327 46.812 ( 14.108 8.145 1.915) 16.402 48.179 ( 23.457 13.543 28.369) 39.223 50.608 ( -10.029 -5.790 -26.726) 29.127 50.981 ( -13.166 -7.601 18.690) 24.092 55.800 ( 7.304 4.217 -2.366) 8.760 57.335 ( -7.233 -4.176 -10.362) 13.309 ======================= Grid point 433 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.229 ( 36.254 20.931 -6.798) 42.411 5.862 ( 25.209 14.555 35.447) 45.867 6.834 ( 22.680 13.094 46.209) 53.114 7.589 ( -10.460 -6.039 -25.598) 28.304 8.066 ( -7.701 -4.446 -16.370) 18.629 9.399 ( -18.759 -10.830 4.114) 22.048 16.984 ( 4.797 2.770 -0.732) 5.588 17.792 ( 4.938 2.851 17.377) 18.288 18.220 ( 9.698 5.599 -20.063) 22.977 19.420 ( 18.853 10.885 23.146) 31.775 20.818 ( 0.488 0.282 26.634) 26.640 24.120 ( -22.572 -13.032 -12.965) 29.111 27.532 ( 2.727 1.574 10.616) 11.074 28.420 ( -5.519 -3.187 14.844) 16.154 30.487 ( -0.148 -0.085 -8.361) 8.362 31.124 ( -4.411 -2.547 -8.761) 10.134 31.544 ( 12.156 7.018 -12.021) 18.480 31.916 ( 4.603 2.658 -0.459) 5.335 47.197 ( 19.011 10.976 1.324) 21.992 48.893 ( 23.880 13.787 29.904) 40.676 50.183 ( -12.085 -6.977 -31.306) 34.275 50.798 ( -14.862 -8.581 23.410) 29.026 55.975 ( 9.725 5.615 -3.185) 11.672 57.088 ( -8.699 -5.023 -11.638) 15.374 ======================= Grid point 434 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.978 ( 36.785 21.238 -16.524) 45.577 6.540 ( 17.203 9.932 22.709) 30.171 7.107 ( -15.017 -8.670 -22.023) 28.031 7.582 ( 18.189 10.502 32.703) 38.867 7.749 ( -9.069 -5.236 -17.675) 20.544 9.027 ( -19.668 -11.356 14.573) 26.985 17.087 ( 4.045 2.336 0.652) 4.716 17.982 ( 1.823 1.053 18.533) 18.652 18.244 ( 4.782 2.761 -25.438) 26.030 19.811 ( 1.773 1.024 30.180) 30.250 21.248 ( 25.529 14.739 12.837) 32.152 23.480 ( -26.754 -15.446 -14.592) 34.165 27.662 ( 3.206 1.851 9.945) 10.611 28.332 ( -9.134 -5.274 10.484) 14.871 30.498 ( 4.366 2.521 -3.595) 6.192 30.939 ( -6.569 -3.793 -7.663) 10.782 31.708 ( 7.955 4.593 -9.156) 12.970 32.024 ( 4.636 2.676 1.531) 5.567 47.664 ( 21.248 12.268 2.258) 24.639 49.592 ( 21.902 12.645 29.300) 38.705 49.685 ( -14.146 -8.167 -35.050) 38.670 50.593 ( -17.180 -9.919 26.518) 33.118 56.192 ( 11.165 6.446 -2.752) 13.183 56.812 ( -9.044 -5.222 -12.691) 16.436 ======================= Grid point 435 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.664 ( 34.578 19.963 -23.089) 46.122 6.568 ( -18.418 -10.634 -26.740) 34.166 6.671 ( -10.094 -5.828 -17.742) 21.228 7.695 ( 9.178 5.299 12.809) 16.624 8.142 ( 14.368 8.295 29.193) 33.578 8.675 ( -22.343 -12.900 21.876) 33.826 17.157 ( 1.192 0.688 1.704) 2.190 18.090 ( -2.630 -1.518 19.086) 19.327 18.125 ( -0.178 -0.103 -29.816) 29.817 19.937 ( -4.813 -2.779 26.672) 27.245 21.997 ( 33.273 19.210 8.620) 39.375 22.758 ( -29.292 -16.912 -14.857) 36.942 27.791 ( 3.038 1.754 8.590) 9.279 28.154 ( -10.986 -6.343 6.686) 14.340 30.628 ( 7.661 4.423 0.878) 8.889 30.759 ( -5.306 -3.063 -6.479) 8.917 31.794 ( 4.267 2.463 -6.619) 8.251 32.136 ( 4.051 2.339 2.790) 5.446 48.150 ( 19.602 11.317 2.680) 22.792 49.137 ( -14.448 -8.341 -35.585) 39.301 50.188 ( 9.427 5.443 29.144) 31.110 50.368 ( -11.831 -6.830 25.981) 29.354 56.439 ( 12.099 6.986 -1.878) 14.097 56.536 ( -8.310 -4.798 -13.639) 16.676 ======================= Grid point 436 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.824 ( -19.105 -11.030 -29.233) 36.623 6.095 ( -23.307 -13.457 -32.603) 42.276 6.379 ( 28.594 16.509 -24.864) 41.333 8.107 ( 13.929 8.042 22.222) 27.432 8.269 ( -27.193 -15.700 25.819) 40.651 8.594 ( 12.038 6.950 23.303) 27.134 17.153 ( -2.862 -1.652 2.776) 4.316 17.885 ( -3.887 -2.244 -32.322) 32.632 18.094 ( -7.303 -4.217 18.671) 20.487 19.940 ( -7.879 -4.549 20.733) 22.641 22.007 ( -29.587 -17.082 -13.121) 36.598 22.785 ( 32.193 18.587 6.560) 37.748 27.896 ( 2.052 1.185 6.842) 7.241 27.938 ( -11.045 -6.377 4.517) 13.530 30.635 ( -2.417 -1.395 -4.885) 5.626 30.833 ( 9.062 5.232 3.531) 11.044 31.828 ( 2.016 1.164 -4.627) 5.180 32.233 ( 2.903 1.676 3.046) 4.530 48.308 ( -8.729 -5.040 -28.311) 30.052 48.868 ( 10.997 6.349 -1.775) 12.822 49.984 ( -25.074 -14.477 30.051) 41.730 50.750 ( 13.871 8.008 21.800) 27.051 56.277 ( -6.936 -4.005 -14.782) 16.813 56.707 ( 12.520 7.229 -1.224) 14.509 ======================= Grid point 437 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( -28.158 -16.257 -28.608) 43.308 5.305 ( -28.616 -16.522 -33.207) 46.846 6.903 ( 29.291 16.911 -25.414) 42.307 7.742 ( -34.703 -20.036 29.360) 49.677 8.536 ( 12.057 6.961 19.392) 23.872 8.986 ( 12.183 7.034 17.573) 22.510 17.064 ( -7.190 -4.151 5.458) 9.936 17.573 ( -5.658 -3.267 -32.886) 33.529 17.996 ( -11.018 -6.361 17.178) 21.376 19.831 ( -11.870 -6.853 15.402) 20.618 21.296 ( -27.249 -15.732 -9.289) 32.807 23.500 ( 28.404 16.399 4.311) 33.080 27.725 ( -10.063 -5.810 3.554) 12.151 27.963 ( 0.525 0.303 5.369) 5.403 30.596 ( 1.202 0.694 -3.419) 3.689 31.062 ( 8.980 5.185 4.305) 11.228 31.835 ( 0.836 0.483 -3.151) 3.296 32.298 ( 1.311 0.757 2.145) 2.625 47.761 ( -16.713 -9.649 -36.663) 41.432 49.268 ( 16.478 9.514 12.359) 22.689 49.551 ( -29.566 -17.070 29.180) 44.911 51.134 ( 9.634 5.562 17.533) 20.764 56.044 ( -5.437 -3.139 -16.351) 17.514 56.978 ( 12.177 7.031 -1.183) 14.111 ======================= Grid point 438 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.240 ( -32.375 -18.692 -26.220) 45.662 4.427 ( -32.414 -18.714 -28.996) 47.346 7.064 ( -42.762 -24.688 32.577) 59.155 7.354 ( 24.095 13.911 -23.030) 36.118 8.874 ( 8.630 4.982 14.510) 17.602 9.367 ( 13.994 8.079 11.648) 19.919 16.897 ( -12.705 -7.335 11.980) 18.941 17.264 ( -3.249 -1.876 -31.453) 31.676 17.822 ( -12.855 -7.422 14.880) 21.018 19.592 ( -16.677 -9.629 11.029) 22.192 20.693 ( -22.652 -13.078 -3.983) 26.458 24.104 ( 23.786 13.733 1.852) 27.528 27.535 ( -8.612 -4.972 3.094) 10.415 27.988 ( -0.951 -0.549 4.869) 4.991 30.642 ( 4.341 2.506 -2.758) 5.721 31.279 ( 8.016 4.628 3.608) 9.934 31.831 ( 0.353 0.204 -2.203) 2.241 32.313 ( -0.621 -0.359 -0.318) 0.785 47.185 ( -15.033 -8.679 -32.893) 37.192 49.022 ( -32.866 -18.975 27.427) 46.824 49.698 ( 13.634 7.871 17.124) 23.260 51.400 ( 5.976 3.450 12.910) 14.638 55.832 ( -4.030 -2.327 -18.206) 18.791 57.230 ( 10.968 6.333 -1.781) 12.790 ======================= Grid point 439 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -35.339 -20.403 -20.422) 45.630 3.519 ( -34.833 -20.111 -19.271) 44.600 6.229 ( -50.614 -29.222 36.983) 69.162 7.701 ( 18.443 10.648 -18.890) 28.467 9.090 ( 4.538 2.620 7.089) 8.815 9.752 ( 15.471 8.932 5.693) 18.750 16.649 ( -16.269 -9.393 18.113) 26.096 17.090 ( 2.218 1.281 -21.018) 21.174 17.619 ( -12.325 -7.116 12.166) 18.723 19.224 ( -21.031 -12.142 7.345) 25.371 20.243 ( -16.871 -9.740 2.456) 19.635 24.587 ( 19.055 11.001 -0.516) 22.009 27.378 ( -6.977 -4.028 2.750) 8.513 27.986 ( -1.937 -1.118 5.599) 6.029 30.744 ( 6.092 3.517 -3.139) 7.703 31.460 ( 6.601 3.811 1.746) 7.820 31.826 ( 0.239 0.138 -1.828) 1.849 32.255 ( -3.269 -1.887 -5.750) 6.878 46.709 ( -11.067 -6.389 -25.995) 28.966 48.429 ( -34.066 -19.668 24.978) 46.596 50.084 ( 10.375 5.990 21.123) 24.284 51.566 ( 3.171 1.831 8.173) 8.956 55.642 ( -2.517 -1.453 -19.570) 19.784 57.442 ( 9.092 5.249 -2.761) 10.856 ======================= Grid point 444 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 0.000 -9.094 54.711) 55.462 3.150 ( 0.000 1.853 57.305) 57.335 4.563 ( 0.000 44.980 66.859) 80.581 8.090 ( -0.000 -11.133 -11.755) 16.190 8.445 ( -0.000 12.427 -9.016) 15.353 10.418 ( -0.000 -6.213 -11.139) 12.755 16.948 ( 0.000 -14.673 -4.795) 15.436 17.362 ( 0.000 2.141 2.386) 3.206 17.537 ( -0.000 7.919 0.172) 7.921 17.684 ( -0.000 25.043 -2.909) 25.211 22.697 ( 0.000 -72.210 36.460) 80.892 25.221 ( -0.000 -6.066 -8.149) 10.159 27.341 ( 0.000 -4.553 13.881) 14.609 28.299 ( 0.000 0.791 18.563) 18.580 29.303 ( -0.000 71.822 -8.080) 72.275 30.841 ( -0.000 -3.394 -11.427) 11.920 31.683 ( -0.000 0.455 -7.412) 7.426 31.686 ( -0.000 -0.690 -7.174) 7.207 46.432 ( 0.000 -12.925 10.446) 16.619 47.153 ( 0.000 27.871 20.177) 34.408 51.126 ( -0.000 -6.926 -13.344) 15.035 51.410 ( -0.000 6.276 -12.730) 14.193 55.634 ( 0.000 -12.370 7.964) 14.712 57.618 ( -0.000 -2.901 -8.588) 9.064 ======================= Grid point 445 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 1.024 3.698 42.932) 43.103 3.828 ( 32.834 -4.226 53.101) 62.575 5.460 ( 5.772 47.249 59.095) 75.882 7.906 ( 2.770 -15.761 -16.279) 22.827 8.474 ( -4.259 12.694 -10.229) 16.850 10.223 ( -6.839 -7.724 -10.611) 14.800 16.793 ( 1.782 -11.857 -4.261) 12.725 17.467 ( 2.783 9.674 8.143) 12.947 17.670 ( 6.669 8.303 -4.310) 11.489 18.038 ( 12.741 25.609 -0.537) 28.609 22.005 ( -30.799 -49.835 45.705) 74.303 25.043 ( -6.207 -9.094 -9.440) 14.503 27.394 ( -0.347 -0.367 13.512) 13.522 28.425 ( 0.012 0.552 19.868) 19.875 30.121 ( 25.284 47.635 -13.540) 55.603 30.711 ( -1.768 -3.674 -12.918) 13.546 31.571 ( -4.084 -1.540 -8.482) 9.539 31.702 ( 3.702 1.763 -6.795) 7.936 46.431 ( 6.865 -10.173 9.478) 15.507 47.650 ( 7.812 30.918 24.110) 39.978 50.937 ( -6.778 -1.246 -18.681) 19.911 51.331 ( -7.094 2.913 -4.614) 8.950 55.586 ( 4.406 -11.977 6.312) 14.238 57.504 ( -2.624 -4.394 -9.697) 10.964 ======================= Grid point 446 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 16.613 12.894 22.939) 31.120 4.694 ( 38.643 -6.630 47.141) 61.315 6.356 ( 7.477 43.414 51.104) 67.471 7.657 ( 2.064 -20.890 -21.109) 29.770 8.418 ( -8.915 12.378 -12.157) 19.506 9.927 ( -11.977 -8.345 -7.177) 16.267 16.745 ( 7.250 -9.753 -2.078) 12.329 17.699 ( 0.789 15.101 12.258) 19.466 17.860 ( 11.516 8.967 -10.075) 17.735 18.590 ( 22.483 24.827 3.458) 33.672 21.405 ( -27.425 -28.600 44.956) 59.926 24.718 ( -12.564 -12.180 -11.320) 20.841 27.484 ( 0.377 1.544 13.464) 13.557 28.538 ( -1.620 -0.594 19.810) 19.885 30.506 ( 0.058 -4.312 -13.063) 13.756 30.847 ( 18.194 28.762 -13.335) 36.552 31.420 ( -4.430 -2.805 -9.256) 10.638 31.761 ( 4.715 3.347 -5.152) 7.744 46.589 ( 15.066 -6.492 8.317) 18.393 48.283 ( 12.140 31.412 27.103) 43.228 50.634 ( -13.541 2.659 -26.872) 30.208 51.204 ( -9.282 -2.472 8.486) 12.817 55.639 ( 9.694 -7.145 2.241) 12.250 57.326 ( -5.140 -5.715 -10.973) 13.397 ======================= Grid point 447 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 26.067 17.065 4.928) 31.543 5.542 ( 37.642 -7.295 40.299) 55.625 7.129 ( 5.259 24.112 34.460) 42.386 7.335 ( 1.609 -12.884 -16.801) 21.233 8.255 ( -14.713 12.525 -16.169) 25.194 9.597 ( -14.348 -8.585 0.337) 16.724 16.810 ( 10.996 -8.424 0.557) 13.863 17.878 ( 2.090 7.171 1.858) 7.697 18.105 ( 5.622 18.513 -3.602) 19.681 19.287 ( 26.952 22.397 8.967) 36.172 21.086 ( -15.194 -14.915 37.613) 43.221 24.248 ( -18.446 -15.066 -13.519) 27.386 27.596 ( 0.837 2.357 13.308) 13.541 28.581 ( -5.281 -2.675 17.114) 18.109 30.387 ( 1.694 -4.383 -10.728) 11.712 31.142 ( -3.274 5.856 -9.614) 11.724 31.372 ( 10.048 9.778 -10.430) 17.475 31.859 ( 5.285 4.284 -2.883) 7.389 46.905 ( 21.875 -3.378 8.137) 23.583 48.977 ( 14.155 30.203 28.316) 43.754 50.214 ( -17.510 2.210 -32.135) 36.662 51.075 ( -11.104 -5.146 16.975) 20.927 55.789 ( 12.769 -2.488 -0.703) 13.028 57.091 ( -7.104 -6.559 -12.261) 15.615 ======================= Grid point 448 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 30.795 18.640 -8.601) 37.010 6.265 ( 29.435 -8.946 26.557) 40.642 6.865 ( 0.492 -28.755 -18.875) 34.400 7.761 ( -3.361 22.073 9.660) 24.327 8.034 ( -12.098 21.181 1.174) 24.421 9.295 ( -15.141 -9.216 10.105) 20.403 16.938 ( 11.465 -7.419 2.980) 13.977 17.930 ( 3.022 -0.401 -9.807) 10.270 18.330 ( -3.320 22.959 3.643) 23.482 19.931 ( 13.939 14.478 18.269) 27.160 21.115 ( 8.717 -1.627 23.643) 25.252 23.650 ( -23.221 -17.464 -15.344) 32.858 27.717 ( 1.186 2.549 12.595) 12.905 28.508 ( -9.485 -4.884 11.934) 16.008 30.374 ( 6.579 -2.335 -5.397) 8.824 30.975 ( -7.322 -2.346 -8.790) 11.678 31.601 ( 7.842 11.702 -8.234) 16.316 31.981 ( 5.273 4.524 -0.613) 6.975 47.343 ( 26.161 -1.149 9.185) 27.750 49.659 ( 7.481 21.251 15.741) 27.484 49.714 ( -12.975 5.818 -23.593) 27.547 50.929 ( -13.962 -6.518 21.905) 26.782 56.001 ( 14.121 0.964 -1.948) 14.288 56.819 ( -8.109 -6.650 -13.415) 17.028 ======================= Grid point 449 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.156 ( 32.402 18.512 -18.008) 41.435 6.195 ( -3.067 -32.744 -26.444) 42.200 6.904 ( 4.511 1.436 8.417) 9.657 7.578 ( -4.287 1.480 -8.321) 9.476 8.419 ( 1.469 26.731 26.322) 37.543 9.017 ( -17.404 -10.758 18.009) 27.257 17.068 ( 8.633 -6.543 4.938) 11.906 17.850 ( 0.968 -5.089 -18.413) 19.128 18.470 ( -10.325 21.384 8.625) 25.264 20.199 ( -5.470 3.889 24.310) 25.219 21.643 ( 32.284 10.576 10.814) 35.652 22.956 ( -26.295 -19.083 -15.923) 36.183 27.834 ( 1.279 2.129 11.205) 11.477 28.329 ( -11.827 -6.036 7.142) 15.077 30.488 ( 10.416 -1.047 -0.149) 10.469 30.784 ( -5.992 -2.665 -7.627) 10.059 31.749 ( 3.288 9.037 -6.055) 11.365 32.110 ( 4.612 4.350 1.016) 6.421 47.852 ( 26.779 0.140 10.530) 28.775 49.132 ( -19.495 -3.118 -36.597) 41.583 50.297 ( 11.597 23.029 25.315) 36.134 50.737 ( -17.704 -7.810 24.551) 31.260 56.252 ( 14.625 3.274 -2.156) 15.142 56.535 ( -8.067 -5.885 -14.451) 17.566 ======================= Grid point 450 (160/288) ======================= q-point: (-0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.489 ( -2.050 -27.456 -28.263) 39.457 5.848 ( 25.727 9.477 -23.691) 36.235 6.599 ( -33.290 14.756 -26.355) 44.951 7.839 ( 24.985 -10.226 21.590) 34.568 8.698 ( -22.267 -13.304 23.279) 34.853 8.817 ( 0.987 21.688 20.454) 29.828 17.146 ( 3.331 -5.645 6.251) 9.058 17.650 ( -1.564 -7.874 -23.365) 24.705 18.499 ( -15.801 16.965 11.841) 26.033 20.211 ( -10.893 0.560 20.821) 23.505 22.213 ( -24.913 -19.549 -14.297) 34.745 22.411 ( 33.862 12.747 6.088) 36.690 27.932 ( 0.851 1.067 9.325) 9.425 28.102 ( -12.030 -5.979 4.555) 14.185 30.612 ( -0.125 -2.781 -5.091) 5.802 30.712 ( 9.180 0.346 2.050) 9.413 31.823 ( 0.284 7.035 -4.208) 8.203 32.225 ( 3.234 3.902 1.527) 5.293 48.232 ( 2.311 -0.588 -11.546) 11.789 48.677 ( 3.968 -3.949 -11.928) 13.176 50.456 ( -23.033 -9.529 26.831) 36.623 50.821 ( 8.742 17.645 20.654) 28.537 56.261 ( -7.316 -4.465 -15.586) 17.787 56.526 ( 14.645 4.693 -2.094) 15.520 ======================= Grid point 451 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.822 ( -12.956 -36.408 -26.024) 46.590 5.884 ( -40.275 15.252 -29.848) 52.398 6.410 ( 29.149 17.333 -25.679) 42.539 8.278 ( -29.175 -16.572 27.091) 43.125 8.293 ( 23.976 -10.285 21.153) 33.587 9.134 ( 1.785 17.200 14.721) 22.709 17.142 ( -2.428 -4.287 5.598) 7.457 17.380 ( -3.358 -9.551 -21.938) 24.162 18.417 ( -19.852 12.492 12.983) 26.809 20.108 ( -14.328 -1.479 15.769) 21.357 21.504 ( -25.111 -19.285 -11.251) 33.601 23.145 ( 33.177 11.937 3.679) 35.450 27.869 ( -10.919 -5.695 3.488) 12.799 28.002 ( -0.193 0.116 7.753) 7.756 30.549 ( 0.620 -1.172 -4.922) 5.097 30.934 ( 12.321 0.045 4.391) 13.080 31.852 ( -1.400 5.487 -2.758) 6.298 32.306 ( 1.291 3.112 0.764) 3.455 47.776 ( -19.907 -3.682 -35.359) 40.744 49.048 ( 24.561 -1.594 17.105) 29.973 50.080 ( -28.534 -12.170 26.680) 40.916 51.203 ( 5.613 12.423 16.341) 21.280 56.012 ( -6.482 -2.401 -16.973) 18.327 56.805 ( 14.187 5.166 -2.313) 15.275 ======================= Grid point 452 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( -18.142 -33.313 -19.131) 42.484 5.100 ( -47.398 14.633 -28.298) 57.109 6.908 ( 27.924 15.297 -24.902) 40.421 7.720 ( -37.165 -19.935 30.629) 52.123 8.685 ( 19.738 -8.767 16.427) 27.135 9.402 ( 4.534 12.577 9.224) 16.242 17.051 ( -2.231 -2.071 -16.177) 16.460 17.114 ( -8.552 -10.479 6.658) 15.076 18.245 ( -22.172 9.788 12.116) 27.096 19.884 ( -18.671 -4.975 11.405) 22.437 20.886 ( -20.829 -16.528 -6.057) 27.271 23.786 ( 28.742 9.657 0.979) 30.337 27.663 ( -9.773 -4.918 3.225) 11.406 28.034 ( -0.908 -0.910 7.005) 7.122 30.557 ( 4.115 0.041 -4.185) 5.869 31.161 ( 11.461 -0.001 3.820) 12.080 31.854 ( -2.095 4.075 -1.828) 4.933 32.332 ( -1.105 1.953 -1.475) 2.685 47.209 ( -18.529 -2.247 -32.273) 37.282 49.530 ( 10.587 -5.693 23.272) 26.193 49.604 ( -21.931 -11.083 24.269) 34.537 51.452 ( 3.134 6.766 11.227) 13.477 55.790 ( -5.862 0.346 -18.363) 19.279 57.067 ( 13.037 4.839 -3.014) 14.229 ======================= Grid point 453 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -23.387 -24.562 -6.440) 34.521 4.252 ( -50.598 13.570 -22.974) 57.203 6.992 ( -42.665 -24.136 33.092) 59.143 7.353 ( 20.456 13.487 -20.232) 31.776 8.968 ( 12.858 -6.801 9.092) 17.154 9.655 ( 9.583 7.489 4.078) 12.827 16.833 ( -4.173 -4.760 -15.673) 16.903 17.012 ( -7.068 -4.763 20.198) 21.923 18.028 ( -22.283 9.788 9.750) 26.218 19.523 ( -22.493 -9.952 8.149) 25.911 20.423 ( -15.641 -11.791 0.264) 19.589 24.308 ( 23.995 7.066 -1.562) 25.063 27.487 ( -8.282 -4.049 3.184) 9.753 28.044 ( -1.567 -1.462 7.483) 7.784 30.628 ( 6.718 0.630 -4.448) 8.081 31.359 ( 9.686 0.319 2.060) 9.908 31.840 ( -2.114 2.523 -1.594) 3.657 32.279 ( -4.314 0.373 -5.880) 7.303 46.740 ( -14.987 1.147 -25.730) 29.798 49.005 ( -36.236 -16.234 24.738) 46.782 49.999 ( 18.099 -3.232 24.416) 30.564 51.582 ( 1.924 0.832 5.523) 5.907 55.601 ( -5.438 4.145 -18.894) 20.093 57.294 ( 11.294 3.920 -4.039) 12.619 ======================= Grid point 459 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.000 -0.849 47.393) 47.400 3.802 ( 0.000 -1.999 50.161) 50.201 6.237 ( 0.000 49.300 52.558) 72.062 7.605 ( -0.000 -19.958 -18.872) 27.467 8.570 ( -0.000 12.890 -11.077) 16.995 10.140 ( -0.000 -7.491 -10.779) 13.127 16.618 ( 0.000 -13.266 -4.855) 14.126 17.541 ( -0.000 11.046 5.303) 12.253 17.750 ( -0.000 12.698 1.611) 12.800 18.203 ( -0.000 31.261 -2.013) 31.325 22.019 ( 0.000 -49.124 42.460) 64.931 24.934 ( -0.000 -11.759 -10.489) 15.757 27.483 ( 0.000 0.507 14.834) 14.843 28.557 ( 0.000 0.755 20.775) 20.788 30.348 ( -0.000 48.354 -9.124) 49.208 30.590 ( -0.000 -5.879 -14.490) 15.637 31.574 ( -0.000 -0.500 -8.916) 8.930 31.611 ( -0.000 2.158 -8.140) 8.421 46.316 ( 0.000 -12.561 11.535) 17.054 48.078 ( 0.000 37.253 25.448) 45.116 50.899 ( -0.000 2.443 -17.280) 17.452 51.389 ( -0.000 7.949 -12.975) 15.216 55.439 ( 0.000 -18.115 10.274) 20.825 57.415 ( -0.000 -5.891 -10.535) 12.070 ======================= Grid point 460 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 0.760 5.462 35.497) 35.922 4.339 ( 27.997 -6.187 46.838) 54.917 7.017 ( 1.569 44.448 44.591) 62.980 7.275 ( 1.339 -23.613 -22.094) 32.365 8.585 ( -4.778 12.654 -11.847) 17.981 9.956 ( -6.062 -6.794 -8.781) 12.650 16.508 ( 5.146 -12.504 -2.884) 13.826 17.769 ( 6.527 12.828 -1.117) 14.436 17.905 ( 2.234 16.779 7.740) 18.612 18.589 ( 10.033 31.662 -1.060) 33.230 21.717 ( -14.588 -35.217 41.433) 56.300 24.681 ( -6.771 -14.539 -12.184) 20.142 27.587 ( -0.031 2.055 15.174) 15.312 28.683 ( -1.120 -0.040 20.944) 20.974 30.405 ( -2.539 -4.716 -14.795) 15.735 30.831 ( 11.572 33.847 -8.400) 36.743 31.433 ( -6.289 -0.820 -9.815) 11.686 31.666 ( 6.033 3.511 -7.256) 10.068 46.349 ( 9.286 -11.369 12.210) 19.094 48.653 ( 4.962 38.518 26.768) 47.167 50.740 ( -10.282 7.416 -24.220) 27.337 51.347 ( -4.974 5.048 -5.171) 8.773 55.398 ( 8.186 -16.076 8.998) 20.160 57.261 ( -2.694 -7.177 -11.519) 13.837 ======================= Grid point 461 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 11.875 10.819 17.655) 23.870 5.084 ( 35.462 -9.490 42.394) 56.079 6.866 ( 0.077 -29.233 -24.798) 38.334 7.723 ( 1.729 39.209 35.125) 52.670 8.507 ( -10.269 13.396 -13.188) 21.421 9.717 ( -9.722 -6.361 -3.497) 12.133 16.520 ( 10.930 -11.712 0.475) 16.027 17.879 ( 0.442 9.821 -10.441) 14.341 18.293 ( 6.921 24.201 14.531) 29.064 19.134 ( 20.648 28.353 0.029) 35.075 21.414 ( -16.068 -22.839 38.524) 47.580 24.276 ( -13.386 -17.177 -14.337) 26.073 27.703 ( -0.089 2.829 14.973) 15.238 28.752 ( -4.617 -2.004 18.592) 19.261 30.246 ( 0.526 -4.946 -13.031) 13.948 31.233 ( -5.585 8.568 -9.218) 13.769 31.266 ( 8.864 13.511 -8.009) 18.035 31.778 ( 6.790 4.947 -5.323) 9.946 46.557 ( 18.261 -9.520 13.002) 24.354 49.297 ( 7.875 37.023 26.900) 46.436 50.397 ( -19.526 9.872 -32.346) 39.051 51.276 ( -7.015 0.006 7.219) 10.066 55.505 ( 14.254 -10.460 5.112) 18.404 57.048 ( -5.072 -7.910 -12.538) 15.669 ======================= Grid point 462 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 20.846 13.863 1.437) 25.076 5.808 ( 32.439 -12.096 31.135) 46.562 6.423 ( 1.972 -31.298 -20.324) 37.370 8.134 ( -11.872 21.396 -4.787) 24.933 8.457 ( -5.448 25.177 13.602) 29.131 9.481 ( -10.926 -6.928 4.896) 13.833 16.641 ( 14.437 -10.970 3.889) 18.544 17.870 ( -1.872 6.543 -14.751) 16.245 18.692 ( -1.287 28.444 13.754) 31.621 19.812 ( 27.157 23.206 3.104) 35.856 21.231 ( -9.071 -14.529 32.864) 37.060 23.730 ( -19.023 -19.380 -16.291) 31.668 27.818 ( -0.176 2.790 14.124) 14.398 28.699 ( -9.462 -4.396 12.632) 16.384 30.196 ( 5.976 -3.421 -7.175) 9.945 31.026 ( -8.036 -2.219 -9.945) 12.977 31.570 ( 7.381 16.955 -5.546) 19.306 31.918 ( 6.771 5.390 -3.041) 9.173 46.927 ( 25.395 -7.886 14.460) 30.269 49.889 ( -19.691 11.777 -26.891) 35.349 49.954 ( 3.862 29.911 16.101) 34.188 51.194 ( -9.481 -3.022 15.102) 18.086 55.718 ( 16.907 -4.917 1.805) 17.700 56.791 ( -6.710 -7.729 -13.422) 16.880 ======================= Grid point 463 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.733 ( 26.410 15.296 -11.019) 32.448 5.777 ( -2.835 -30.380 -25.385) 39.691 6.608 ( 30.808 -13.256 30.707) 45.473 7.844 ( -23.530 14.146 -24.654) 36.899 8.823 ( -0.949 25.343 21.846) 33.473 9.269 ( -12.467 -8.513 13.116) 19.998 16.820 ( 14.527 -10.119 6.906) 19.003 17.759 ( -4.644 3.003 -19.134) 19.917 18.954 ( -10.014 27.942 13.209) 32.489 20.397 ( 9.747 14.301 11.633) 20.853 21.323 ( 16.334 -4.495 19.737) 26.011 23.076 ( -22.976 -20.903 -17.145) 35.480 27.921 ( -0.248 1.995 12.589) 12.748 28.518 ( -12.364 -5.731 6.568) 15.128 30.287 ( 10.497 -2.370 -0.762) 10.788 30.816 ( -7.009 -2.555 -8.974) 11.670 31.774 ( 3.218 13.049 -4.230) 14.089 32.067 ( 6.201 5.209 -1.030) 8.164 47.418 ( 29.617 -6.758 16.450) 34.546 49.304 ( -26.494 5.351 -37.569) 46.282 50.534 ( 7.911 27.827 22.557) 36.684 51.072 ( -13.244 -5.094 19.409) 24.043 55.986 ( 17.456 -0.751 -0.187) 17.473 56.518 ( -7.428 -6.420 -14.072) 17.159 ======================= Grid point 464 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.112 ( 3.215 -15.214 -22.944) 27.717 5.384 ( 18.887 1.421 -21.170) 28.406 7.023 ( -4.060 3.868 2.429) 6.111 7.519 ( 2.459 -1.443 -2.133) 3.561 9.036 ( -16.418 -10.870 19.177) 27.486 9.135 ( -1.262 19.191 15.646) 24.793 16.998 ( 11.259 -9.045 9.584) 17.333 17.545 ( -7.094 0.213 -22.608) 23.696 19.058 ( -17.212 23.740 13.917) 32.458 20.540 ( -9.877 4.997 17.318) 20.553 21.900 ( 35.806 3.687 6.234) 36.531 22.370 ( -23.169 -20.222 -15.257) 34.329 27.999 ( -0.426 0.583 10.563) 10.587 28.278 ( -12.659 -5.797 3.423) 14.338 30.466 ( 11.660 -2.135 2.173) 12.051 30.648 ( -3.458 -2.214 -6.684) 7.844 31.888 ( -0.126 10.165 -2.918) 10.576 32.207 ( 4.794 4.796 -0.092) 6.782 47.959 ( 27.548 -5.299 16.051) 32.321 48.683 ( -22.972 1.951 -34.356) 41.374 50.875 ( -18.313 -7.152 21.899) 29.429 51.014 ( 5.775 20.821 18.065) 28.164 56.247 ( -4.099 -3.285 -12.667) 13.713 56.285 ( 13.710 1.208 -3.230) 14.137 ======================= Grid point 465 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.594 ( -12.336 -25.468 -18.962) 34.064 5.865 ( 30.456 16.510 -23.724) 41.988 6.579 ( -37.247 17.046 -27.333) 49.244 7.874 ( 27.088 -13.593 22.558) 37.781 8.723 ( -22.633 -13.781 23.662) 35.525 9.352 ( -0.594 13.250 9.568) 16.354 17.125 ( 4.823 -6.492 10.312) 13.105 17.269 ( -7.133 -2.368 -21.616) 22.886 19.013 ( -22.511 18.311 14.654) 32.509 20.463 ( -15.157 3.563 14.418) 21.220 21.626 ( -22.673 -22.655 -13.766) 34.883 22.663 ( 37.259 6.943 2.969) 38.016 28.012 ( -8.355 -4.250 4.103) 10.233 28.070 ( -4.011 -2.010 7.114) 8.410 30.505 ( -0.880 -1.176 -5.715) 5.901 30.725 ( 13.244 -2.488 3.901) 14.029 31.939 ( -2.344 7.852 -1.689) 8.367 32.312 ( 2.569 3.946 -0.507) 4.736 47.938 ( -23.187 3.792 -31.386) 39.206 48.652 ( 28.391 -7.926 17.953) 34.514 50.573 ( -24.273 -9.638 22.730) 34.622 51.350 ( 3.275 13.062 12.830) 18.600 56.015 ( -7.266 -0.546 -14.811) 16.507 56.575 ( 16.195 3.231 -2.388) 16.686 ======================= Grid point 466 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( -17.267 -16.940 -8.392) 25.603 5.859 ( -43.159 18.066 -27.389) 54.215 6.416 ( 29.347 15.924 -26.208) 42.446 8.286 ( -26.354 -16.238 26.258) 40.592 8.317 ( 20.551 -13.392 21.283) 32.475 9.496 ( 1.258 7.342 3.841) 8.381 16.977 ( -7.254 1.290 -23.407) 24.539 17.202 ( 0.051 -8.181 18.281) 20.028 18.850 ( -25.575 14.127 13.880) 32.347 20.268 ( -20.934 1.366 10.804) 23.597 20.993 ( -18.380 -20.082 -8.954) 28.657 23.334 ( 33.972 5.298 -0.247) 34.384 27.804 ( -10.410 -4.751 2.483) 11.710 28.081 ( -0.801 -1.980 7.880) 8.164 30.472 ( 1.993 -0.330 -5.237) 5.613 30.955 ( 13.656 -2.548 3.754) 14.390 31.946 ( -3.649 5.791 -0.833) 6.895 32.357 ( -0.193 2.595 -2.248) 3.439 47.383 ( -23.223 5.599 -30.506) 38.746 49.199 ( 28.724 -8.593 23.919) 38.354 50.149 ( -30.195 -12.125 22.942) 39.813 51.533 ( 1.256 4.779 6.477) 8.146 55.819 ( -7.183 3.920 -14.750) 16.868 56.852 ( 14.887 3.369 -3.566) 15.675 ======================= Grid point 467 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( -21.441 -2.983 7.146) 22.797 5.099 ( -48.237 18.501 -24.811) 57.312 6.888 ( 26.584 13.432 -23.903) 38.190 7.721 ( -37.330 -18.538 30.594) 51.703 8.677 ( 19.236 -11.040 14.526) 26.513 9.592 ( 4.708 1.183 -1.397) 5.052 16.765 ( -4.460 3.151 -19.126) 19.890 17.226 ( -4.326 -6.207 25.407) 26.509 18.615 ( -26.156 12.392 10.945) 30.944 19.901 ( -26.083 -6.534 8.371) 28.162 20.542 ( -13.020 -11.525 -2.533) 17.571 23.895 ( 29.273 2.958 -3.074) 29.583 27.613 ( -9.107 -3.967 2.922) 10.354 28.095 ( -0.754 -2.451 8.230) 8.620 30.499 ( 4.963 0.197 -5.332) 7.287 31.171 ( 12.540 -2.333 2.026) 12.915 31.921 ( -4.272 3.836 -0.609) 5.773 32.320 ( -3.605 0.852 -5.463) 6.600 46.926 ( -19.305 9.427 -24.338) 32.463 49.606 ( -33.380 -13.713 23.385) 43.001 49.725 ( 23.577 -9.719 25.593) 36.129 51.568 ( 0.279 -3.515 -0.799) 3.615 55.674 ( -7.112 9.263 -13.862) 18.125 57.092 ( 13.183 2.655 -4.913) 14.317 ======================= Grid point 474 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 0.000 1.291 39.507) 39.528 4.292 ( 0.000 -5.097 40.958) 41.274 6.862 ( -0.000 -27.932 -25.245) 37.650 7.692 ( 0.000 42.048 38.275) 56.859 8.675 ( -0.000 12.166 -11.011) 16.409 9.894 ( -0.000 -5.199 -8.833) 10.250 16.323 ( 0.000 -12.606 -1.928) 12.752 17.892 ( -0.000 16.829 6.221) 17.942 18.040 ( -0.000 15.475 -0.485) 15.483 18.842 ( -0.000 35.493 0.611) 35.499 21.746 ( 0.000 -31.678 38.240) 49.657 24.508 ( -0.000 -16.989 -13.673) 21.808 27.707 ( 0.000 2.821 15.722) 15.973 28.824 ( 0.000 -0.040 21.032) 21.032 30.276 ( -0.000 -6.339 -16.422) 17.603 31.012 ( -0.000 29.152 -4.830) 29.549 31.467 ( -0.000 2.827 -10.465) 10.840 31.570 ( -0.000 3.504 -7.648) 8.412 46.235 ( 0.000 -11.995 14.325) 18.683 49.161 ( 0.000 39.870 26.648) 47.955 50.776 ( -0.000 9.954 -23.456) 25.480 51.405 ( -0.000 9.821 -12.526) 15.917 55.216 ( 0.000 -19.212 13.586) 23.531 57.136 ( -0.000 -8.352 -12.068) 14.676 ======================= Grid point 475 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( -1.657 3.723 28.015) 28.310 4.723 ( 25.689 -8.650 39.135) 47.606 6.419 ( -0.162 -30.127 -26.632) 40.211 8.272 ( -0.671 34.646 26.620) 43.696 8.695 ( -4.550 13.576 -7.636) 16.227 9.758 ( -4.819 -4.159 -6.412) 9.035 16.255 ( 6.680 -12.052 1.169) 13.829 17.987 ( -6.012 14.207 -5.422) 16.352 18.387 ( 16.184 19.533 9.168) 26.972 19.235 ( 4.542 35.151 0.908) 35.455 21.619 ( -8.414 -24.333 35.508) 43.861 24.182 ( -7.142 -19.239 -15.679) 25.826 27.829 ( -0.267 3.064 15.368) 15.672 28.918 ( -3.223 -1.491 18.734) 19.068 30.113 ( -0.235 -5.028 -14.715) 15.552 31.232 ( 0.802 6.736 -7.701) 10.263 31.388 ( -3.225 16.645 -6.403) 18.124 31.664 ( 7.984 5.411 -6.870) 11.841 46.300 ( 10.238 -11.324 15.987) 22.105 49.731 ( 3.408 37.850 25.604) 45.824 50.613 ( -13.764 13.507 -30.494) 36.080 51.401 ( -3.189 6.938 -5.095) 9.179 55.212 ( 10.279 -16.277 12.793) 23.114 56.954 ( -2.617 -8.856 -12.557) 15.587 ======================= Grid point 476 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( 7.986 7.069 12.027) 16.074 5.350 ( 31.014 -12.097 33.306) 47.090 5.965 ( 0.984 -30.174 -22.498) 37.651 8.469 ( -11.807 16.278 -12.394) 23.622 8.867 ( -1.507 25.705 19.922) 32.556 9.591 ( -7.106 -4.401 -0.517) 8.374 16.325 ( 12.594 -11.301 4.947) 17.630 17.946 ( -6.920 11.166 -12.401) 18.065 18.964 ( 15.540 24.185 14.765) 32.317 19.684 ( 12.303 29.863 -1.601) 32.338 21.453 ( -10.821 -18.199 32.319) 38.637 23.708 ( -13.736 -20.942 -17.598) 30.609 27.940 ( -0.671 2.499 14.227) 14.460 28.888 ( -8.660 -3.981 11.792) 15.163 30.032 ( 4.173 -2.855 -7.953) 9.424 31.080 ( -7.999 -1.033 -10.724) 13.419 31.608 ( 5.602 17.382 -2.455) 18.427 31.822 ( 8.035 6.269 -4.990) 11.347 46.551 ( 19.696 -10.453 17.834) 28.553 50.204 ( -22.522 15.609 -32.590) 42.579 50.312 ( 3.102 32.284 18.849) 37.512 51.375 ( -5.353 1.816 5.815) 8.110 55.383 ( 16.917 -10.401 8.737) 21.696 56.730 ( -4.740 -8.234 -12.807) 15.946 ======================= Grid point 477 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.445 ( 17.203 9.930 -2.351) 20.002 5.401 ( -2.424 -25.628 -22.356) 34.095 6.106 ( 33.854 -16.054 32.712) 49.739 8.225 ( -20.870 14.948 -22.143) 33.902 9.191 ( -1.769 20.943 16.762) 26.883 9.434 ( -8.194 -5.945 7.314) 12.489 16.504 ( 15.825 -10.410 8.404) 20.722 17.817 ( -8.844 8.189 -17.284) 21.072 19.454 ( -1.607 29.350 16.784) 33.848 20.240 ( 25.955 20.635 -3.183) 33.311 21.322 ( -6.620 -14.444 27.893) 32.101 23.111 ( -18.925 -21.849 -18.542) 34.341 28.026 ( -1.032 1.185 12.405) 12.504 28.707 ( -12.318 -5.469 4.263) 14.135 30.099 ( 8.735 -1.671 -0.168) 8.895 30.866 ( -8.250 -1.079 -10.000) 13.009 31.829 ( 3.921 13.584 -1.790) 14.252 31.988 ( 7.750 5.461 -2.919) 9.920 46.965 ( 27.044 -9.874 19.966) 35.036 49.644 ( -30.248 12.870 -38.868) 50.905 50.819 ( 5.390 26.503 19.312) 33.233 51.318 ( -8.491 -1.951 12.714) 15.412 55.660 ( 19.297 -4.858 4.679) 20.442 56.489 ( -6.118 -6.169 -12.632) 15.331 ======================= Grid point 478 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( 12.593 2.009 -14.109) 19.018 5.007 ( 5.055 -10.974 -18.349) 21.970 6.724 ( 32.391 -14.999 31.200) 47.408 7.815 ( -26.903 15.242 -26.171) 40.509 9.274 ( -10.961 -8.285 14.080) 19.673 9.408 ( -2.351 14.048 10.134) 17.480 16.738 ( 15.715 -9.431 11.366) 21.565 17.600 ( -11.116 5.945 -20.854) 24.368 19.679 ( -15.292 26.404 16.684) 34.776 20.758 ( 8.092 13.045 3.369) 15.716 21.413 ( 20.797 -8.684 15.473) 27.338 22.442 ( -21.569 -21.435 -17.454) 35.062 28.079 ( -1.220 -0.615 10.196) 10.287 28.451 ( -12.865 -5.574 0.742) 14.041 30.267 ( 11.270 -1.696 3.879) 12.039 30.672 ( -6.716 -0.760 -8.556) 10.904 31.974 ( 0.660 10.532 -1.268) 10.629 32.150 ( 6.987 4.639 -1.456) 8.512 47.494 ( 31.277 -9.641 22.040) 39.458 48.996 ( -31.662 10.704 -37.942) 50.563 51.196 ( -12.623 -4.827 16.672) 21.461 51.222 ( 3.907 17.847 13.876) 22.942 55.978 ( 19.179 -0.909 1.602) 19.267 56.260 ( -6.811 -2.664 -11.950) 14.011 ======================= Grid point 479 (178/288) ======================= q-point: (-0.29 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( -10.576 -12.066 -9.963) 18.886 5.368 ( 29.054 13.600 -21.003) 38.344 7.119 ( -12.681 7.217 -3.975) 15.123 7.460 ( 9.447 -5.703 3.647) 11.622 9.059 ( -16.108 -11.088 19.223) 27.421 9.516 ( -1.979 7.300 3.848) 8.486 16.972 ( 12.676 -8.408 14.253) 20.845 17.319 ( -12.273 5.146 -22.522) 26.160 19.677 ( -22.584 18.110 17.807) 33.987 20.827 ( -10.835 8.476 9.013) 16.446 21.639 ( -12.820 -22.645 -13.393) 29.266 22.109 ( 30.063 -0.150 1.027) 30.081 28.096 ( -1.853 -2.458 7.716) 8.307 28.195 ( -11.176 -5.051 0.627) 12.280 30.463 ( 7.439 -0.799 1.690) 7.671 30.545 ( 1.114 -1.440 -3.726) 4.147 32.046 ( -1.830 7.833 -0.427) 8.055 32.282 ( 4.729 3.589 -1.430) 6.107 48.048 ( 21.904 -5.494 15.741) 27.527 48.380 ( -19.471 5.631 -26.791) 33.594 50.977 ( -18.736 -7.802 18.598) 27.529 51.474 ( 2.457 8.502 7.555) 11.636 56.066 ( -7.219 1.985 -10.797) 13.139 56.298 ( 18.011 1.294 -0.824) 18.076 ======================= Grid point 480 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -14.413 -0.238 2.390) 14.612 5.874 ( 30.830 14.794 -24.758) 42.218 6.595 ( -39.277 18.938 -27.094) 51.336 7.869 ( 27.851 -15.389 22.768) 39.127 8.741 ( -22.930 -14.041 23.433) 35.666 9.537 ( -0.617 0.668 -1.957) 2.158 17.035 ( -11.275 6.158 -21.628) 25.156 17.168 ( 8.008 -7.364 17.877) 20.927 19.510 ( -26.066 10.415 17.788) 33.231 20.737 ( -18.973 11.923 8.334) 23.908 21.005 ( -17.718 -24.635 -12.593) 32.854 22.750 ( 38.241 1.041 -1.334) 38.278 27.948 ( -10.627 -4.226 0.953) 11.476 28.112 ( -0.563 -3.858 7.019) 8.029 30.433 ( -1.266 1.177 -5.715) 5.971 30.719 ( 13.492 -3.054 4.058) 14.416 32.064 ( -3.681 5.520 0.310) 6.642 32.352 ( 1.715 1.959 -2.643) 3.710 47.719 ( -27.584 12.708 -29.184) 42.120 48.728 ( 32.598 -11.436 24.519) 42.363 50.637 ( -25.166 -10.495 19.878) 33.744 51.560 ( 0.647 -0.995 0.244) 1.212 55.924 ( -7.527 7.164 -9.397) 14.010 56.594 ( 16.392 2.022 -2.932) 16.774 ======================= Grid point 481 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( -17.139 14.066 16.898) 27.877 5.909 ( -43.712 20.328 -25.574) 54.571 6.387 ( 30.183 14.457 -26.641) 42.776 8.285 ( -1.022 -14.533 21.972) 26.363 8.311 ( -5.312 -15.739 24.890) 29.924 9.489 ( 1.662 -6.058 -7.315) 9.643 16.818 ( -8.126 8.529 -18.066) 21.568 17.321 ( 3.465 -6.071 22.661) 23.714 19.240 ( -26.959 6.136 14.374) 31.161 20.324 ( -26.355 -14.670 2.119) 30.237 20.661 ( -12.417 4.885 -0.799) 13.367 23.345 ( 34.419 -0.924 -4.656) 34.745 27.749 ( -9.520 -3.525 1.964) 10.340 28.115 ( 0.425 -4.169 7.454) 8.551 30.417 ( 1.601 1.743 -5.555) 6.038 30.936 ( 13.317 -3.153 2.252) 13.869 32.037 ( -4.945 3.457 0.614) 6.064 32.339 ( -1.790 0.005 -4.907) 5.223 47.267 ( -23.282 16.568 -23.437) 36.957 49.305 ( 30.523 -11.945 26.244) 41.989 50.174 ( -31.240 -12.705 21.013) 39.736 51.485 ( -0.657 -9.339 -7.391) 11.927 55.838 ( -7.579 12.155 -7.842) 16.330 56.848 ( 14.531 1.596 -4.972) 15.440 ======================= Grid point 489 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 0.000 -0.909 31.956) 31.969 4.605 ( 0.000 -8.781 32.384) 33.553 5.968 ( -0.000 -29.303 -26.472) 39.490 8.650 ( -0.000 18.944 -0.878) 18.965 8.901 ( 0.000 22.660 14.575) 26.943 9.722 ( -0.000 -2.459 -7.423) 7.820 16.096 ( 0.000 -11.581 3.671) 12.148 18.302 ( -0.000 14.458 -5.406) 15.435 18.303 ( -0.000 17.696 4.454) 18.248 19.587 ( -0.000 37.467 4.696) 37.760 21.668 ( 0.000 -21.920 32.069) 38.845 23.947 ( -0.000 -20.863 -17.438) 27.191 27.953 ( 0.000 2.679 14.617) 14.861 29.040 ( 0.000 -2.221 15.864) 16.019 29.980 ( -0.000 -4.021 -13.208) 13.806 31.245 ( -0.000 4.005 -8.664) 9.545 31.560 ( -0.000 4.171 -6.208) 7.479 31.581 ( -0.000 18.348 -4.167) 18.816 46.205 ( 0.000 -11.518 18.169) 21.512 50.210 ( 0.000 34.930 23.447) 42.070 50.692 ( -0.000 14.840 -30.402) 33.831 51.462 ( -0.000 11.208 -11.618) 16.143 55.046 ( 0.000 -17.897 17.959) 25.354 56.813 ( -0.000 -8.974 -12.289) 15.217 ======================= Grid point 490 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( -4.441 -0.392 20.891) 21.361 4.957 ( 24.642 -11.715 31.115) 41.384 5.542 ( 0.190 -26.264 -22.353) 34.489 8.688 ( -6.556 12.671 -12.179) 18.758 9.236 ( -0.721 22.016 17.495) 28.130 9.630 ( -3.374 -1.972 -5.125) 6.445 16.083 ( 7.365 -10.726 7.260) 14.899 18.168 ( -13.175 12.958 -9.079) 20.589 18.824 ( 25.451 16.210 3.912) 30.427 19.970 ( -1.314 35.876 5.334) 36.294 21.604 ( -5.799 -18.630 28.716) 34.717 23.567 ( -7.281 -21.529 -19.035) 29.645 28.054 ( -0.501 1.484 12.971) 13.065 29.036 ( -5.838 -4.375 7.391) 10.385 29.910 ( 2.560 -1.570 -5.416) 6.193 31.147 ( -7.087 1.588 -10.494) 12.762 31.630 ( 6.401 7.219 -3.408) 10.232 31.770 ( 3.956 13.735 -2.799) 14.564 46.302 ( 10.731 -11.251 20.189) 25.482 50.499 ( -16.370 17.133 -34.907) 42.190 50.682 ( 2.347 28.963 18.626) 34.515 51.486 ( -2.118 8.124 -5.066) 9.806 55.094 ( 11.286 -14.529 17.073) 25.099 56.637 ( -2.376 -7.732 -11.573) 14.119 ======================= Grid point 491 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 5.570 2.507 6.773) 9.120 5.098 ( -1.621 -18.357 -16.921) 25.019 5.585 ( 31.786 -16.723 30.613) 47.193 8.544 ( -14.838 13.277 -17.317) 26.388 9.483 ( -1.852 14.673 10.795) 18.310 9.524 ( -4.661 -2.662 1.128) 5.485 16.216 ( 13.209 -9.633 10.733) 19.557 17.993 ( -12.672 10.427 -14.799) 22.098 19.491 ( 30.961 15.377 5.650) 35.028 20.285 ( -2.944 30.122 4.038) 30.534 21.480 ( -8.185 -15.716 25.087) 30.714 23.063 ( -13.850 -20.714 -19.559) 31.677 28.120 ( -1.029 -0.390 10.701) 10.757 28.861 ( -10.466 -5.545 -0.935) 11.881 29.971 ( 6.039 -0.299 2.871) 6.694 30.954 ( -9.300 1.461 -10.120) 13.822 31.823 ( 9.412 6.605 -1.964) 11.665 31.937 ( 3.417 10.561 -1.704) 11.230 46.588 ( 20.403 -11.083 22.217) 32.136 50.052 ( -28.037 17.483 -39.901) 51.805 51.083 ( 3.547 20.823 14.688) 25.728 51.482 ( -4.675 2.693 4.290) 6.893 55.324 ( 18.018 -8.856 12.280) 23.535 56.451 ( -4.212 -4.781 -10.227) 12.050 ======================= Grid point 492 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.548 ( 14.850 5.834 -5.618) 16.915 4.805 ( -4.165 -10.168 -11.778) 16.108 6.184 ( 34.858 -17.685 31.613) 50.272 8.239 ( -22.898 14.831 -22.501) 35.364 9.421 ( -6.355 -5.280 8.107) 11.575 9.601 ( -2.685 7.696 4.131) 9.138 16.453 ( 16.144 -8.490 13.478) 22.680 17.761 ( -13.640 8.569 -18.854) 24.798 20.143 ( 13.999 18.983 11.840) 26.391 20.533 ( 10.700 14.316 -3.303) 18.176 21.360 ( -5.548 -11.664 20.610) 24.323 22.479 ( -19.012 -17.674 -18.042) 31.613 28.143 ( -1.318 -2.591 8.208) 8.708 28.600 ( -11.822 -5.324 -3.845) 13.523 30.119 ( 8.348 -0.606 6.233) 10.436 30.756 ( -8.961 1.908 -8.833) 12.726 32.025 ( 7.362 6.312 -0.676) 9.721 32.068 ( 3.417 6.986 -1.193) 7.868 47.030 ( 27.792 -11.244 24.091) 38.460 49.448 ( -33.458 16.480 -39.522) 54.341 51.363 ( 2.344 8.476 8.854) 12.479 51.430 ( -7.281 0.597 9.992) 12.377 55.648 ( 20.032 -3.862 7.160) 21.621 56.287 ( -5.508 -0.315 -8.261) 9.934 ======================= Grid point 493 (185/288) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.591 ( -7.920 1.672 -0.432) 8.106 4.910 ( 24.076 8.516 -16.558) 30.436 6.777 ( 33.619 -18.026 29.689) 48.339 7.801 ( -29.004 16.254 -25.984) 42.197 9.288 ( -10.292 -8.081 14.021) 19.178 9.600 ( -2.713 0.554 -2.161) 3.512 16.739 ( 15.994 -7.445 15.597) 23.547 17.479 ( -14.440 7.919 -20.984) 26.675 20.295 ( -18.889 11.398 18.844) 29.014 20.908 ( 16.756 1.540 -11.757) 20.527 21.415 ( 12.229 -4.929 13.915) 19.169 21.912 ( -16.842 -9.691 -12.849) 23.295 28.130 ( -1.106 -4.577 6.075) 7.686 28.332 ( -11.351 -4.664 -3.520) 12.767 30.305 ( 10.015 -1.382 6.500) 12.019 30.591 ( -7.254 2.614 -7.195) 10.546 32.139 ( -0.471 6.573 0.903) 6.652 32.203 ( 7.012 2.784 -1.846) 7.767 47.580 ( 32.164 -11.604 25.504) 42.657 48.799 ( -33.934 15.988 -36.269) 52.178 51.277 ( -12.993 -6.042 14.133) 20.126 51.511 ( 2.110 1.096 1.233) 2.678 55.991 ( 19.323 -0.599 2.887) 19.547 56.164 ( -6.442 4.839 -5.999) 10.045 ======================= Grid point 494 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( -10.644 13.680 11.347) 20.717 5.342 ( 29.633 11.341 -23.131) 39.266 7.209 ( -18.691 10.084 -8.866) 23.014 7.385 ( 15.713 -9.693 8.488) 20.320 9.075 ( -16.160 -11.145 18.763) 27.155 9.502 ( -1.853 -6.301 -7.817) 10.210 17.023 ( 13.482 -6.488 17.610) 23.108 17.192 ( -13.514 8.763 -20.649) 26.188 20.099 ( -23.228 -0.361 19.991) 30.648 20.828 ( -3.524 -18.514 -16.014) 24.731 21.351 ( -25.409 15.574 5.058) 30.228 22.078 ( 37.745 -3.195 -2.349) 37.953 28.082 ( -8.027 -3.779 0.225) 8.875 28.109 ( -2.396 -5.937 2.856) 7.010 30.471 ( -3.027 3.394 -3.969) 6.036 30.511 ( 9.477 -2.108 3.377) 10.279 32.172 ( -2.671 4.340 1.532) 5.322 32.302 ( 3.976 0.881 -2.589) 4.825 48.134 ( 2.619 2.995 2.720) 4.820 48.251 ( 0.226 2.390 -7.438) 7.816 51.028 ( -19.213 -9.088 16.676) 27.015 51.485 ( 0.894 -8.318 -6.057) 10.329 56.090 ( -7.169 9.669 -3.956) 12.671 56.310 ( 17.466 0.853 -0.701) 17.501 ======================= Grid point 495 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -12.342 25.183 22.745) 36.108 5.828 ( 31.999 12.790 -26.623) 43.547 6.648 ( -39.103 20.218 -26.449) 51.355 7.840 ( 28.698 -16.599 23.377) 40.566 8.752 ( -23.006 -13.999 22.821) 35.299 9.325 ( -0.351 -12.956 -12.888) 18.278 16.964 ( -10.446 10.824 -17.698) 23.227 17.278 ( 10.012 -5.471 19.925) 22.960 19.778 ( -24.758 -4.990 16.044) 29.921 20.375 ( -11.018 -25.450 -9.781) 29.407 21.183 ( -24.411 25.164 5.929) 35.557 22.673 ( 38.347 -4.268 -5.817) 39.020 27.885 ( -9.359 -2.823 0.191) 9.778 28.086 ( 1.621 -6.326 5.243) 8.375 30.420 ( -2.428 4.386 -4.954) 7.048 30.705 ( 12.139 -2.822 2.877) 12.791 32.154 ( -4.531 2.358 1.907) 5.452 32.317 ( 0.407 -1.251 -4.156) 4.359 47.728 ( -26.292 21.337 -23.499) 41.216 48.801 ( 33.600 -12.673 25.498) 44.042 50.659 ( -25.657 -11.457 18.917) 33.873 51.314 ( -0.408 -15.506 -12.586) 19.975 56.059 ( -7.545 13.297 -2.610) 15.509 56.581 ( 15.257 0.868 -3.838) 15.756 ======================= Grid point 504 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.435 ( 0.000 -5.514 24.913) 25.516 4.752 ( 0.000 -12.293 25.409) 28.227 5.189 ( -0.000 -19.482 -18.261) 26.702 8.789 ( -0.000 11.099 -10.583) 15.336 9.516 ( 0.000 15.609 11.392) 19.324 9.607 ( -0.000 -0.366 -7.288) 7.297 15.974 ( 0.000 -9.734 10.633) 14.416 18.446 ( -0.000 10.771 -11.538) 15.784 18.650 ( -0.000 13.750 1.258) 13.808 20.372 ( -0.000 34.228 7.076) 34.952 21.637 ( 0.000 -18.105 24.833) 30.732 23.305 ( -0.000 -20.142 -19.846) 28.276 28.138 ( 0.000 -0.270 10.729) 10.733 29.058 ( 0.000 -5.613 -1.686) 5.861 29.869 ( 0.000 0.374 2.155) 2.187 31.184 ( -0.000 3.497 -10.286) 10.864 31.579 ( -0.000 4.255 -4.021) 5.855 31.872 ( -0.000 12.975 -0.119) 12.976 46.230 ( 0.000 -11.401 22.161) 24.922 50.597 ( -0.000 17.423 -36.371) 40.329 51.011 ( 0.000 21.491 14.626) 25.995 51.553 ( -0.000 11.786 -10.109) 15.527 54.968 ( 0.000 -15.383 22.198) 27.007 56.525 ( -0.000 -5.697 -9.634) 11.193 ======================= Grid point 505 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( -6.365 -5.558 14.575) 16.847 4.900 ( 0.770 -9.272 -6.797) 11.522 5.110 ( 24.401 -15.990 23.409) 37.404 8.764 ( -7.901 11.248 -12.182) 18.367 9.547 ( -1.788 -0.309 -4.905) 5.230 9.671 ( -1.157 8.112 4.496) 9.346 16.026 ( 7.461 -8.437 14.029) 17.990 18.249 ( -15.867 9.378 -13.749) 22.995 19.088 ( 28.312 9.344 -1.900) 29.875 20.685 ( -3.837 27.163 6.226) 28.131 21.567 ( -4.150 -17.102 20.875) 27.304 22.946 ( -7.578 -15.323 -18.783) 25.397 28.177 ( -0.581 -2.531 7.975) 8.387 28.916 ( -5.659 -5.866 -8.386) 11.695 29.935 ( 2.610 1.170 8.129) 8.618 31.076 ( -8.515 4.001 -9.552) 13.407 31.690 ( 9.158 4.389 -2.778) 10.528 31.998 ( 1.514 9.671 0.683) 9.812 46.353 ( 10.929 -11.476 23.964) 28.730 50.384 ( -17.866 18.617 -39.645) 47.302 51.265 ( 2.234 11.937 8.023) 14.555 51.590 ( -2.085 8.294 -4.477) 9.653 55.067 ( 11.425 -12.021 20.590) 26.438 56.417 ( -2.056 -1.916 -6.986) 7.531 ======================= Grid point 506 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.381 ( 4.860 -2.468 1.913) 5.777 4.790 ( -3.531 1.888 -2.152) 4.546 5.616 ( 33.242 -19.005 29.235) 48.176 8.584 ( -16.631 12.668 -17.090) 27.002 9.490 ( -2.654 -1.903 1.456) 3.575 9.690 ( -2.231 0.478 -2.210) 3.177 16.220 ( 12.935 -7.112 16.512) 22.148 17.976 ( -15.172 8.046 -17.755) 24.702 19.685 ( 36.355 4.309 -4.682) 36.908 20.819 ( -8.534 12.506 6.618) 16.523 21.441 ( -4.927 -14.577 14.734) 21.304 22.550 ( -15.008 -4.754 -14.239) 21.227 28.168 ( -0.987 -4.920 5.212) 7.235 28.682 ( -8.550 -5.139 -9.641) 13.873 30.060 ( 4.382 0.718 9.482) 10.470 30.899 ( -10.287 4.566 -8.203) 13.927 31.890 ( 10.712 3.703 -1.832) 11.481 32.113 ( 1.727 6.903 1.303) 7.234 46.659 ( 20.563 -11.748 25.457) 34.769 49.914 ( -29.242 19.099 -40.594) 53.551 51.405 ( 2.598 1.872 2.125) 3.843 51.579 ( -4.538 1.844 2.336) 5.427 55.338 ( 17.830 -6.917 14.848) 24.212 56.340 ( -3.742 3.023 -3.962) 6.232 ======================= Grid point 507 (191/288) ======================= q-point: (-0.29 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( 16.294 1.544 -10.039) 19.200 4.807 ( -5.483 13.433 8.073) 16.604 6.183 ( 35.480 -20.695 29.070) 50.321 8.253 ( -23.929 14.608 -21.793) 35.510 9.425 ( -5.380 -4.536 8.090) 10.723 9.584 ( -2.624 -6.799 -8.324) 11.063 16.505 ( 15.552 -6.056 17.810) 24.408 17.681 ( -14.973 7.598 -20.336) 26.372 20.279 ( 36.681 -4.204 -12.080) 38.847 20.731 ( -13.233 -2.186 12.922) 18.624 21.309 ( 0.435 -15.172 4.542) 15.843 22.217 ( -21.020 12.728 -5.311) 25.141 28.118 ( -0.828 -6.959 3.006) 7.626 28.430 ( -9.317 -4.144 -8.034) 12.982 30.206 ( 6.029 -0.208 8.499) 10.423 30.732 ( -9.694 5.392 -6.602) 12.909 32.078 ( 9.085 2.108 -1.548) 9.454 32.202 ( 0.805 4.709 1.999) 5.179 47.112 ( 27.836 -12.202 26.311) 40.199 49.321 ( -33.655 19.167 -37.716) 54.060 51.412 ( 1.214 -7.112 -2.105) 7.516 51.494 ( -7.151 -4.301 5.366) 9.921 55.682 ( 19.323 -2.688 8.695) 21.359 56.302 ( -5.189 7.866 -1.230) 9.503 ======================= Grid point 508 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.827 ( 25.421 5.437 -19.552) 32.528 4.962 ( -7.068 23.720 17.849) 30.515 6.750 ( 35.128 -20.960 27.913) 49.522 7.811 ( -29.519 16.722 -24.820) 42.036 9.303 ( -10.133 -7.900 13.281) 18.479 9.376 ( -2.374 -13.374 -13.361) 19.053 16.825 ( 15.615 -5.294 18.237) 24.585 17.385 ( -13.934 8.227 -20.635) 26.223 20.415 ( 1.602 -22.794 -1.924) 22.931 20.571 ( -9.681 -7.945 -0.962) 12.561 21.408 ( 28.966 -9.406 -0.259) 30.456 22.030 ( -23.793 26.473 2.587) 35.688 28.052 ( 0.270 -8.155 1.952) 8.390 28.199 ( -8.992 -3.117 -5.321) 10.904 30.361 ( 7.724 -1.117 6.467) 10.135 30.603 ( -8.097 6.284 -5.058) 11.430 32.206 ( 6.077 -0.029 -2.004) 6.399 32.252 ( -1.013 2.812 2.650) 3.994 47.662 ( 32.322 -12.572 26.189) 43.458 48.734 ( -32.578 20.375 -32.123) 50.083 51.285 ( -0.398 -14.640 -6.671) 16.093 51.317 ( -11.237 -8.855 7.837) 16.313 56.022 ( 17.969 -0.237 3.319) 18.275 56.298 ( -6.430 11.530 0.609) 13.216 ======================= Grid point 509 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.238 ( 31.299 8.704 -25.752) 41.456 5.238 ( -8.112 31.458 25.752) 41.456 7.292 ( -33.113 18.364 -26.495) 46.214 7.292 ( 32.460 -19.495 26.495) 46.214 9.087 ( -1.252 -19.701 -18.141) 26.810 9.087 ( -16.435 -10.935 18.141) 26.810 17.139 ( -10.970 9.812 -18.273) 23.463 17.139 ( 13.982 -4.594 18.273) 23.463 20.161 ( -6.910 -22.629 -19.510) 30.667 20.161 ( -16.142 -17.299 19.509) 30.667 21.924 ( 34.059 -4.025 -7.779) 35.167 21.924 ( -20.515 27.483 7.779) 35.167 28.004 ( -8.275 -2.168 -2.393) 8.883 28.004 ( 2.260 -8.251 2.393) 8.883 30.522 ( -6.062 7.120 -3.873) 10.122 30.522 ( 9.197 -1.690 3.873) 10.122 32.252 ( 2.472 -2.246 -3.181) 4.612 32.252 ( -3.181 1.018 3.181) 4.612 48.258 ( -27.439 23.046 -24.914) 43.643 48.258 ( 33.678 -12.240 24.914) 43.643 51.041 ( 0.939 -21.785 -16.298) 27.223 51.041 ( -19.336 -10.079 16.298) 27.223 56.312 ( 15.392 0.502 -1.335) 15.458 56.312 ( -7.261 13.581 1.335) 15.458 ======================= Grid point 520 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.542 ( 0.000 -10.104 18.329) 20.930 4.758 ( 0.000 -15.698 20.220) 25.598 4.876 ( -0.000 0.021 -0.056) 0.060 8.872 ( -0.000 10.002 -9.126) 13.540 9.525 ( -0.000 1.482 -7.992) 8.128 9.730 ( -0.000 0.476 -2.176) 2.228 15.984 ( 0.000 -6.920 17.516) 18.833 18.428 ( -0.000 5.681 -17.885) 18.765 18.843 ( -0.000 6.226 -2.322) 6.645 20.952 ( -0.000 14.718 1.070) 14.757 21.544 ( 0.000 -18.443 17.148) 25.183 22.812 ( -0.000 -3.287 -14.289) 14.662 28.186 ( 0.000 -4.881 4.918) 6.929 28.838 ( -0.000 -5.623 -13.336) 14.473 29.994 ( 0.000 1.930 11.475) 11.636 31.153 ( -0.000 5.637 -9.016) 10.634 31.625 ( -0.000 3.829 -1.496) 4.111 32.074 ( -0.000 6.968 1.649) 7.161 46.300 ( 0.000 -11.633 25.498) 28.026 50.479 ( -0.000 18.259 -39.431) 43.454 51.345 ( -0.000 3.340 1.062) 3.505 51.651 ( -0.000 8.662 -9.091) 12.557 54.988 ( 0.000 -12.462 24.978) 27.915 56.404 ( -0.000 2.284 -3.280) 3.997 ======================= Grid point 521 (195/288) ======================= q-point: (-0.36 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( -7.655 -11.063 9.898) 16.702 4.914 ( 0.983 10.732 7.885) 13.353 5.080 ( 25.562 -17.383 23.497) 38.829 8.831 ( -9.554 10.314 -11.277) 18.024 9.496 ( 0.017 1.419 -5.090) 5.285 9.653 ( -1.181 -7.309 -8.661) 11.395 16.101 ( 6.926 -5.393 20.048) 21.885 18.184 ( -14.564 4.452 -19.131) 24.453 19.127 ( 26.341 -0.075 -6.837) 27.215 20.974 ( -2.544 -2.451 -4.115) 5.423 21.424 ( -3.405 -19.243 12.281) 23.081 22.726 ( -8.177 13.100 -6.463) 16.740 28.144 ( -0.515 -7.104 2.111) 7.429 28.665 ( -3.930 -4.797 -13.999) 15.311 30.095 ( 1.106 1.884 11.583) 11.787 31.073 ( -8.847 6.324 -7.445) 13.179 31.743 ( 8.969 3.290 -0.881) 9.594 32.153 ( 1.321 4.516 2.261) 5.220 46.438 ( 10.834 -11.861 26.691) 31.152 50.258 ( -17.778 18.858 -40.116) 47.760 51.339 ( 1.767 -6.400 -4.431) 7.982 51.647 ( -1.813 4.096 -6.548) 7.934 55.125 ( 10.885 -9.368 22.516) 26.706 56.423 ( -1.874 6.865 0.170) 7.118 ======================= Grid point 522 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 4.986 -7.836 -2.169) 9.537 5.129 ( -2.877 22.915 15.159) 27.625 5.552 ( 34.219 -22.816 26.756) 49.065 8.618 ( -18.034 11.968 -16.546) 27.243 9.446 ( -1.883 -14.420 -13.833) 20.071 9.487 ( -1.152 -0.756 0.901) 1.646 16.339 ( 11.622 -4.339 20.858) 24.268 17.860 ( -14.004 4.305 -21.288) 25.842 19.544 ( 33.038 -8.320 -11.699) 36.022 20.833 ( -1.438 -10.855 -2.448) 11.220 21.195 ( -6.689 -22.082 5.925) 23.821 22.704 ( -14.928 25.232 0.330) 29.319 28.062 ( -0.609 -8.836 0.032) 8.857 28.459 ( -5.884 -3.774 -11.966) 13.858 30.203 ( 1.949 1.321 9.974) 10.248 30.929 ( -10.533 7.144 -5.773) 13.975 31.928 ( 9.801 1.768 -0.759) 9.988 32.230 ( 1.748 2.637 2.923) 4.307 46.750 ( 20.195 -12.203 27.135) 35.960 49.805 ( -28.195 19.547 -38.420) 51.509 51.214 ( 2.262 -16.451 -11.016) 19.928 51.597 ( -4.217 -0.668 0.925) 4.368 55.414 ( 16.620 -4.948 16.055) 23.632 56.472 ( -3.665 10.592 2.631) 11.513 ======================= Grid point 523 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( 17.773 -3.130 -13.746) 22.685 5.442 ( -4.203 30.008 21.987) 37.438 6.092 ( 37.008 -24.153 27.240) 51.913 8.272 ( -24.140 14.207 -20.831) 34.907 9.137 ( -1.621 -21.454 -19.248) 28.868 9.446 ( -5.252 -3.325 7.688) 9.886 16.643 ( 13.954 -3.900 19.905) 24.620 17.546 ( -12.583 4.845 -21.970) 25.778 19.835 ( 24.484 -19.553 -16.471) 35.399 20.751 ( -6.834 -9.450 9.296) 14.914 20.903 ( 8.944 -22.387 -4.724) 24.566 22.700 ( -19.549 30.264 4.027) 36.253 27.963 ( 0.240 -9.684 -0.820) 9.721 28.258 ( -6.440 -2.750 -8.734) 11.195 30.309 ( 3.279 0.595 7.626) 8.322 30.799 ( -9.923 8.123 -4.263) 13.514 32.078 ( 7.604 -0.440 -1.102) 7.696 32.292 ( 0.807 1.140 3.635) 3.894 47.196 ( 27.232 -12.425 26.305) 39.849 49.272 ( -30.855 20.548 -33.282) 49.819 50.974 ( 2.660 -23.674 -16.288) 28.859 51.494 ( -8.145 -4.920 7.570) 12.159 55.752 ( 17.383 -1.496 9.042) 19.651 56.531 ( -5.380 12.831 3.812) 14.425 ======================= Grid point 535 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.491 ( 0.000 -18.054 16.878) 24.715 4.639 ( 0.000 -19.745 16.618) 25.807 5.190 ( 0.000 21.837 15.002) 26.494 8.952 ( -0.000 8.697 -7.687) 11.607 9.472 ( -0.000 3.808 -8.740) 9.534 9.481 ( -0.000 -15.233 -14.868) 21.286 16.132 ( 0.000 -3.600 23.011) 23.291 18.225 ( -0.000 -0.282 -23.849) 23.851 18.816 ( -0.000 -3.599 -6.715) 7.618 20.845 ( -0.000 -14.718 -11.762) 18.841 21.334 ( 0.000 -20.316 10.285) 22.771 22.964 ( -0.000 24.387 -0.492) 24.392 28.075 ( 0.000 -8.887 -0.456) 8.899 28.562 ( -0.000 -4.162 -15.223) 15.782 30.183 ( 0.000 2.652 11.507) 11.809 31.180 ( -0.000 7.073 -6.967) 9.928 31.686 ( -0.000 2.891 0.635) 2.960 32.189 ( 0.000 2.248 2.906) 3.674 46.398 ( 0.000 -11.948 27.726) 30.191 50.349 ( -0.000 17.827 -38.782) 42.683 51.168 ( -0.000 -16.219 -10.762) 19.465 51.652 ( -0.000 5.646 -10.724) 12.120 55.088 ( 0.000 -9.498 25.932) 27.617 56.534 ( -0.000 10.295 3.319) 10.817 ======================= Grid point 536 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -8.507 -17.723 6.767) 20.791 4.916 ( 30.267 -24.324 21.720) 44.491 5.537 ( -1.308 28.838 20.730) 35.539 8.885 ( -11.233 8.986 -10.711) 17.935 9.181 ( -0.826 -22.630 -20.377) 30.463 9.483 ( 1.737 3.761 -5.032) 6.518 16.299 ( 5.563 -2.397 24.095) 24.845 17.947 ( -10.324 -1.368 -24.596) 26.710 18.912 ( 21.551 -10.450 -11.263) 26.467 20.613 ( 2.061 -18.755 -11.800) 22.254 21.143 ( -5.211 -21.267 7.434) 23.123 23.169 ( -7.466 28.842 2.410) 29.890 27.970 ( -0.331 -10.095 -2.175) 10.332 28.413 ( -2.451 -3.376 -13.835) 14.450 30.275 ( -0.294 2.872 10.056) 10.462 31.132 ( -8.197 7.630 -5.347) 12.410 31.792 ( 7.631 1.801 0.612) 7.864 32.236 ( 1.593 0.546 3.573) 3.949 46.541 ( 10.446 -12.129 28.076) 32.318 50.141 ( -16.617 18.016 -37.331) 44.658 50.896 ( 1.476 -24.781 -16.596) 29.861 51.634 ( -1.107 3.117 -6.401) 7.205 55.248 ( 9.843 -6.736 22.861) 25.785 56.656 ( -1.946 12.557 5.059) 13.677 ======================= Grid point 537 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 6.027 -13.881 -5.383) 16.062 5.377 ( 36.791 -27.261 24.849) 52.099 5.948 ( -2.209 32.690 24.601) 40.972 8.642 ( -18.253 10.018 -15.988) 26.251 8.776 ( -1.177 -28.276 -24.666) 37.541 9.515 ( -0.656 1.602 1.556) 2.328 16.545 ( 9.019 -2.317 22.381) 24.241 17.613 ( -9.602 -0.820 -24.805) 26.611 19.117 ( 26.578 -17.261 -14.346) 34.787 20.452 ( 9.150 -19.183 -9.298) 23.199 20.848 ( -9.780 -20.587 6.361) 23.663 23.297 ( -13.444 29.899 3.775) 32.999 27.851 ( 0.094 -10.489 -2.737) 10.840 28.255 ( -3.579 -2.565 -10.935) 11.789 30.350 ( -0.332 2.593 7.953) 8.371 31.027 ( -9.838 8.715 -3.738) 13.665 31.938 ( 7.874 -0.278 0.091) 7.880 32.293 ( 2.153 -0.576 4.334) 4.874 46.845 ( 19.327 -12.243 26.986) 35.379 49.736 ( -25.235 18.855 -33.512) 45.993 50.549 ( 3.027 -30.412 -20.269) 36.672 51.588 ( -3.721 -1.416 0.898) 4.081 55.533 ( 14.554 -3.028 15.851) 21.731 56.767 ( -3.952 13.494 5.493) 15.095 ======================= Grid point 550 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( 0.000 -26.554 15.239) 30.616 4.395 ( 0.000 -25.198 14.619) 29.132 5.985 ( 0.000 32.415 23.791) 40.209 8.778 ( -0.000 -30.436 -25.269) 39.559 9.024 ( -0.000 6.849 -7.179) 9.922 9.468 ( -0.000 7.193 -8.896) 11.440 16.395 ( 0.000 -0.775 26.281) 26.292 17.836 ( -0.000 -6.671 -28.379) 29.153 18.540 ( -0.000 -12.785 -11.498) 17.195 20.321 ( -0.000 -20.972 -12.117) 24.221 21.020 ( 0.000 -21.334 5.042) 21.922 23.530 ( -0.000 29.100 2.863) 29.241 27.854 ( 0.000 -10.736 -3.468) 11.283 28.317 ( -0.000 -2.902 -13.388) 13.699 30.373 ( 0.000 4.069 8.996) 9.873 31.249 ( -0.000 7.481 -5.066) 9.034 31.746 ( 0.000 1.678 1.790) 2.453 32.241 ( 0.000 -1.183 4.194) 4.358 46.510 ( 0.000 -12.167 28.649) 31.126 50.229 ( -0.000 16.468 -35.007) 38.687 50.492 ( -0.000 -31.394 -21.015) 37.779 51.629 ( -0.000 4.585 -9.504) 10.552 55.247 ( 0.000 -6.640 25.410) 26.264 56.835 ( -0.000 13.487 6.011) 14.766 ======================= Grid point 551 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.854 ( -8.984 -25.073 5.131) 27.124 4.642 ( 33.140 -30.698 21.162) 49.885 6.447 ( -0.891 32.973 25.154) 41.481 8.277 ( 0.343 -37.777 -29.523) 47.946 8.932 ( -12.535 8.328 -10.277) 18.223 9.527 ( 2.574 7.074 -4.692) 8.871 16.577 ( 2.846 -0.667 25.261) 25.430 17.534 ( -4.811 -7.581 -28.288) 29.679 18.486 ( 17.698 -16.428 -13.107) 27.476 20.080 ( 4.193 -21.639 -10.140) 24.262 20.797 ( -4.662 -20.917 3.348) 21.690 23.769 ( -6.630 28.205 2.886) 29.117 27.726 ( 0.058 -10.670 -3.756) 11.312 28.203 ( -1.329 -2.414 -11.254) 11.587 30.452 ( -1.609 4.507 7.321) 8.746 31.231 ( -6.688 8.183 -3.618) 11.171 31.825 ( 5.579 0.337 1.375) 5.756 32.270 ( 2.074 -2.180 4.920) 5.767 46.649 ( 9.745 -12.245 27.898) 31.987 50.034 ( -5.828 -12.500 -28.303) 31.484 50.061 ( -6.519 -6.783 -27.194) 28.775 51.611 ( -0.709 2.218 -5.840) 6.287 55.416 ( 8.365 -4.315 21.795) 23.741 56.985 ( -2.125 13.455 5.819) 14.812 ======================= Grid point 565 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 0.000 -34.346 15.888) 37.842 4.018 ( 0.000 -32.263 14.964) 35.564 6.917 ( 0.000 30.821 24.438) 39.334 7.674 ( -0.000 -45.411 -33.348) 56.340 9.067 ( -0.000 5.857 -6.598) 8.822 9.547 ( -0.000 12.039 -8.033) 14.473 16.723 ( 0.000 0.086 27.162) 27.162 17.293 ( -0.000 -11.898 -29.377) 31.695 18.086 ( -0.000 -16.589 -13.641) 21.477 19.774 ( 0.000 -22.291 -8.993) 24.036 20.645 ( 0.000 -20.820 0.976) 20.842 24.103 ( -0.000 26.250 2.008) 26.327 27.600 ( 0.000 -10.232 -3.925) 10.959 28.124 ( -0.000 -2.269 -9.906) 10.162 30.561 ( 0.000 5.826 6.072) 8.415 31.344 ( -0.000 7.523 -3.295) 8.213 31.793 ( 0.000 0.707 2.051) 2.169 32.255 ( 0.000 -3.283 5.537) 6.437 46.620 ( 0.000 -12.392 28.105) 30.715 49.511 ( -0.000 -38.760 -25.525) 46.409 50.136 ( -0.000 14.487 -29.102) 32.508 51.598 ( -0.000 3.711 -8.640) 9.403 55.444 ( 0.000 -4.253 23.519) 23.900 57.165 ( -0.000 12.800 5.190) 13.813 ======================= Grid point 642 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.000 -0.000 55.465) 55.465 3.275 ( 0.000 -0.000 55.465) 55.465 4.546 ( 0.000 -0.000 73.766) 73.766 8.199 ( -0.000 0.000 -10.205) 10.205 8.199 ( -0.000 0.000 -10.205) 10.205 10.403 ( -0.000 0.000 -13.581) 13.581 17.230 ( 0.000 0.000 -4.731) 4.731 17.230 ( -0.000 -0.000 -4.731) 4.731 17.400 ( 0.000 0.000 -0.503) 0.503 17.400 ( -0.000 -0.000 -0.503) 0.503 23.649 ( 0.000 -0.000 5.205) 5.205 25.230 ( -0.000 0.000 -8.816) 8.816 27.604 ( 0.000 -0.000 17.931) 17.931 28.413 ( 0.000 -0.000 20.832) 20.832 28.413 ( 0.000 -0.000 20.832) 20.832 30.801 ( -0.000 0.000 -12.746) 12.746 31.634 ( -0.000 0.000 -9.095) 9.095 31.634 ( -0.000 0.000 -9.095) 9.095 46.821 ( 0.000 -0.000 18.023) 18.023 46.821 ( 0.000 -0.000 18.023) 18.023 51.174 ( -0.000 0.000 -18.309) 18.309 51.174 ( -0.000 0.000 -18.309) 18.309 55.810 ( 0.000 -0.000 8.679) 8.679 57.592 ( -0.000 0.000 -9.294) 9.294 ======================= Grid point 643 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -13.995 -8.080 51.928) 54.385 4.095 ( 24.139 13.937 51.084) 58.194 5.234 ( 18.447 10.650 67.117) 70.416 8.018 ( -3.950 -2.281 -15.309) 15.974 8.236 ( 2.697 1.557 -10.291) 10.751 10.255 ( -5.479 -3.163 -13.961) 15.327 16.956 ( -7.406 -4.276 -3.284) 9.161 17.364 ( 3.945 2.278 1.581) 4.822 17.504 ( 7.592 4.384 -5.548) 10.375 17.647 ( 20.330 11.738 -0.960) 23.495 23.061 ( -46.734 -26.982 25.569) 59.714 25.107 ( -5.980 -3.453 -9.864) 12.041 27.547 ( -6.429 -3.712 18.981) 20.381 28.551 ( 0.203 0.117 22.355) 22.357 29.270 ( 47.530 27.441 4.241) 55.047 30.685 ( -2.835 -1.637 -14.244) 14.616 31.538 ( -2.406 -1.389 -10.511) 10.872 31.620 ( 3.053 1.762 -9.298) 9.944 46.675 ( -6.498 -3.752 15.966) 17.641 47.352 ( 19.976 11.533 23.933) 33.239 50.868 ( -8.716 -5.032 -23.730) 25.776 51.217 ( 5.091 2.939 -12.952) 14.224 55.789 ( -5.025 -2.901 9.050) 10.750 57.502 ( -2.716 -1.568 -10.229) 10.699 ======================= Grid point 644 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( 1.896 1.095 37.766) 37.829 4.949 ( 25.347 14.634 45.225) 53.870 6.089 ( 22.476 12.976 58.203) 63.727 7.806 ( -5.696 -3.288 -20.329) 21.366 8.185 ( -1.192 -0.688 -12.774) 12.847 10.006 ( -9.346 -5.396 -11.073) 15.462 16.857 ( -0.634 -0.366 -0.679) 0.999 17.533 ( 8.423 4.863 6.374) 11.629 17.652 ( 9.651 5.572 -10.868) 15.566 18.194 ( 28.394 16.393 1.126) 32.806 22.227 ( -42.871 -24.751 39.826) 63.534 24.837 ( -12.318 -7.112 -11.603) 18.356 27.578 ( -1.631 -0.942 17.683) 17.783 28.681 ( -1.188 -0.686 22.404) 22.446 30.232 ( 37.195 21.475 -5.897) 43.352 30.517 ( -3.641 -2.102 -15.001) 15.579 31.401 ( -3.635 -2.098 -11.429) 12.175 31.661 ( 5.257 3.035 -7.794) 9.879 46.725 ( 2.534 1.463 14.591) 14.881 47.996 ( 23.132 13.355 27.773) 38.533 50.494 ( -10.313 -5.954 -28.857) 31.217 51.237 ( 0.948 0.547 -3.151) 3.335 55.754 ( -1.750 -1.010 6.807) 7.101 57.344 ( -5.429 -3.135 -11.445) 13.050 ======================= Grid point 645 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 14.586 8.421 19.321) 25.631 5.762 ( 23.878 13.786 38.537) 47.385 6.914 ( 21.440 12.379 48.102) 54.099 7.507 ( -8.997 -5.194 -23.170) 25.392 8.012 ( -6.059 -3.498 -17.875) 19.196 9.730 ( -10.632 -6.139 -3.903) 12.883 16.901 ( 3.621 2.091 2.440) 4.842 17.782 ( 8.945 5.164 -16.415) 19.394 17.788 ( 9.532 5.503 9.240) 14.371 18.917 ( 33.856 19.547 4.456) 39.347 21.661 ( -29.809 -17.210 41.030) 53.556 24.414 ( -18.330 -10.583 -13.879) 25.311 27.668 ( -0.014 -0.008 16.957) 16.957 28.748 ( -4.844 -2.796 19.437) 20.225 30.372 ( -0.980 -0.566 -12.659) 12.710 30.851 ( 21.045 12.150 -7.714) 25.495 31.256 ( -1.499 -0.866 -11.783) 11.910 31.756 ( 6.687 3.861 -5.247) 9.335 46.961 ( 10.338 5.969 14.429) 18.727 48.710 ( 24.489 14.139 29.400) 40.791 50.054 ( -11.949 -6.899 -33.524) 36.252 51.219 ( -3.574 -2.064 6.670) 7.844 55.805 ( 3.540 2.044 3.264) 5.231 57.122 ( -7.698 -4.445 -12.861) 15.634 ======================= Grid point 646 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( 22.628 13.064 2.673) 26.264 6.453 ( 17.934 10.354 27.593) 34.500 7.104 ( -12.031 -6.946 -27.279) 30.612 7.636 ( 17.383 10.036 40.686) 45.368 7.716 ( -8.362 -4.828 -19.744) 21.978 9.495 ( -10.921 -6.305 5.571) 13.786 17.025 ( 4.878 2.816 5.112) 7.606 17.834 ( 5.776 3.335 -21.582) 22.589 18.053 ( 8.066 4.657 11.314) 14.654 19.703 ( 30.470 17.592 9.081) 36.337 21.397 ( -13.648 -7.880 34.617) 38.035 23.854 ( -23.289 -13.446 -15.995) 31.290 27.777 ( 0.654 0.377 16.054) 16.071 28.686 ( -9.470 -5.467 13.017) 17.000 30.345 ( 3.950 2.280 -6.187) 7.687 30.951 ( -3.579 -2.067 -10.012) 10.831 31.357 ( 13.167 7.602 -8.373) 17.357 31.889 ( 7.095 4.097 -2.560) 8.584 47.351 ( 15.964 9.217 15.602) 24.150 49.433 ( 23.695 13.680 28.876) 39.779 49.551 ( -13.556 -7.826 -37.358) 40.504 51.155 ( -8.034 -4.638 14.591) 17.291 55.945 ( 7.797 4.502 0.426) 9.013 56.849 ( -9.035 -5.216 -14.353) 17.744 ======================= Grid point 647 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( 27.367 15.800 -10.034) 33.156 6.620 ( -15.856 -9.155 -28.349) 33.747 6.689 ( -6.722 -3.881 -10.121) 12.755 7.621 ( 8.548 4.935 7.874) 12.627 8.205 ( 13.500 7.794 32.022) 35.615 9.292 ( -12.945 -7.474 13.738) 20.302 17.159 ( 3.430 1.981 6.074) 7.251 17.772 ( 1.458 0.842 -24.743) 24.801 18.272 ( 4.496 2.596 13.172) 14.158 20.260 ( 9.327 5.385 18.199) 21.147 21.546 ( 13.370 7.719 19.985) 25.253 23.190 ( -26.609 -15.363 -16.981) 35.105 27.889 ( 0.811 0.468 14.617) 14.647 28.500 ( -12.050 -6.957 7.031) 15.589 30.464 ( 7.736 4.467 0.565) 8.951 30.779 ( -5.202 -3.003 -9.780) 11.477 31.566 ( 9.053 5.227 -6.214) 12.161 32.034 ( 6.511 3.759 -0.511) 7.536 47.842 ( 18.087 10.443 16.800) 26.804 49.001 ( -14.106 -8.144 -38.771) 42.054 50.105 ( 20.801 12.010 26.539) 35.795 51.030 ( -12.759 -7.367 20.154) 24.965 56.151 ( 10.622 6.133 -1.268) 12.331 56.550 ( -9.210 -5.317 -15.904) 19.132 ======================= Grid point 648 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.276 ( 28.064 16.203 -18.857) 37.493 6.060 ( -17.670 -10.202 -28.135) 34.755 6.208 ( -20.419 -11.789 -28.930) 37.321 8.031 ( 15.515 8.958 20.283) 27.062 8.640 ( 10.176 5.875 24.603) 27.264 9.059 ( -17.451 -10.075 19.764) 28.225 17.226 ( 0.064 0.037 0.491) 0.497 17.617 ( -2.282 -1.318 -19.938) 20.111 18.402 ( -0.796 -0.460 14.728) 14.756 20.381 ( -6.711 -3.875 21.485) 22.840 22.156 ( 29.703 17.149 8.993) 35.457 22.474 ( -27.862 -16.086 -16.027) 35.943 27.987 ( 0.419 0.242 12.729) 12.738 28.257 ( -12.286 -7.093 4.068) 14.758 30.622 ( -3.540 -2.044 -8.464) 9.400 30.676 ( 9.323 5.383 4.543) 11.685 31.691 ( 5.260 3.037 -4.585) 7.610 32.166 ( 5.121 2.956 0.419) 5.928 48.163 ( -3.831 -2.212 -16.907) 17.477 48.640 ( 7.453 4.303 -2.685) 9.015 50.673 ( 15.742 9.089 23.499) 29.709 50.822 ( -17.408 -10.050 22.952) 30.510 56.249 ( -8.416 -4.859 -17.672) 20.168 56.399 ( 12.267 7.083 -2.247) 14.342 ======================= Grid point 649 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.309 ( -19.668 -11.355 -26.627) 34.997 5.515 ( -24.594 -14.199 -29.976) 41.292 5.929 ( 26.969 15.570 -23.792) 39.190 8.479 ( 13.346 7.705 18.098) 23.770 8.735 ( -23.811 -13.747 24.508) 36.832 8.977 ( 8.611 4.972 18.423) 20.935 17.137 ( -2.638 -1.523 -19.792) 20.025 17.472 ( -5.609 -3.238 2.598) 6.978 18.410 ( -6.724 -3.882 15.495) 17.331 20.292 ( -11.440 -6.605 17.776) 22.146 21.768 ( -26.768 -15.455 -12.836) 33.468 22.884 ( 30.492 17.604 4.260) 35.465 28.012 ( -11.410 -6.588 3.317) 13.587 28.060 ( -0.426 -0.246 10.884) 10.895 30.527 ( -0.613 -0.354 -6.957) 6.993 30.920 ( 9.273 5.354 5.879) 12.216 31.756 ( 2.830 1.634 -3.283) 4.632 32.261 ( 3.125 1.804 0.028) 3.609 47.669 ( -15.833 -9.141 -37.767) 41.959 49.096 ( 18.273 10.550 23.143) 31.318 50.501 ( -23.885 -13.790 25.607) 37.635 51.115 ( 11.541 6.663 18.117) 22.490 55.960 ( -7.104 -4.101 -19.816) 21.447 56.666 ( 12.854 7.422 -3.071) 15.157 ======================= Grid point 650 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.609 ( -27.016 -15.598 -23.216) 38.886 4.763 ( -27.010 -15.595 -25.255) 40.132 6.436 ( 29.535 17.052 -25.229) 42.421 8.278 ( -31.444 -18.154 28.667) 46.261 8.838 ( 9.675 5.586 13.324) 17.388 9.267 ( 8.939 5.161 13.108) 16.683 16.921 ( -1.937 -1.118 -29.402) 29.487 17.374 ( -9.461 -5.462 19.155) 22.051 18.295 ( -11.676 -6.741 15.098) 20.241 20.091 ( -15.059 -8.694 13.137) 21.793 21.139 ( -23.349 -13.481 -7.713) 28.043 23.548 ( 27.094 15.643 0.894) 31.298 27.790 ( -10.190 -5.883 3.512) 12.279 28.103 ( -1.341 -0.774 9.790) 9.912 30.510 ( 2.576 1.487 -6.003) 6.699 31.151 ( 8.174 4.719 5.292) 10.821 31.784 ( 1.401 0.809 -2.400) 2.894 32.299 ( 0.581 0.335 -1.824) 1.943 47.099 ( -14.430 -8.331 -34.863) 38.640 49.641 ( 16.017 9.248 27.454) 33.103 50.061 ( -29.351 -16.946 25.930) 42.673 51.418 ( 6.949 4.012 13.490) 15.696 55.689 ( -5.583 -3.223 -22.120) 23.040 56.929 ( 12.408 7.164 -4.055) 14.890 ======================= Grid point 657 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 0.000 -12.765 52.545) 54.073 4.156 ( 0.000 1.507 52.307) 52.329 5.750 ( 0.000 33.414 61.784) 70.240 7.833 ( -0.000 -14.611 -16.412) 21.973 8.254 ( -0.000 11.886 -12.151) 16.998 10.174 ( -0.000 -4.156 -15.452) 16.001 16.868 ( 0.000 -15.009 -3.439) 15.398 17.397 ( -0.000 6.569 1.420) 6.721 17.505 ( -0.000 10.255 -3.354) 10.789 17.630 ( -0.000 24.808 -2.940) 24.981 23.212 ( 0.000 -45.353 22.075) 50.440 25.048 ( -0.000 -6.486 -10.601) 12.428 27.664 ( 0.000 -8.718 20.972) 22.712 28.684 ( 0.000 0.014 23.178) 23.178 29.334 ( -0.000 50.533 9.278) 51.377 30.592 ( -0.000 -3.620 -15.735) 16.146 31.512 ( -0.000 1.636 -11.236) 11.355 31.516 ( -0.000 0.096 -11.465) 11.465 46.702 ( 0.000 -17.328 19.132) 25.813 47.571 ( 0.000 30.601 25.328) 39.724 50.777 ( -0.000 -3.962 -24.096) 24.419 51.118 ( -0.000 9.803 -19.029) 21.406 55.812 ( 0.000 -11.623 11.119) 16.086 57.438 ( -0.000 -3.152 -10.915) 11.361 ======================= Grid point 658 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( -10.853 -4.919 45.809) 47.334 4.760 ( 29.078 -4.751 48.402) 56.664 6.500 ( 4.969 36.563 53.574) 65.052 7.568 ( 1.003 -18.955 -20.613) 28.021 8.257 ( -4.811 12.365 -13.731) 19.094 9.998 ( -4.621 -4.556 -13.972) 15.405 16.741 ( 3.658 -12.286 -1.082) 12.865 17.540 ( 4.854 8.798 -4.380) 10.962 17.607 ( 1.885 16.059 2.283) 16.329 18.010 ( 15.764 25.567 -2.302) 30.125 22.711 ( -23.874 -39.430 32.316) 56.294 24.845 ( -6.731 -9.812 -12.096) 16.968 27.708 ( -1.772 -3.460 20.526) 20.891 28.828 ( -0.258 -0.808 23.602) 23.617 30.025 ( 18.866 38.683 1.691) 43.072 30.439 ( -1.065 -3.226 -16.571) 16.916 31.377 ( -4.254 -0.456 -12.715) 13.415 31.545 ( 5.661 3.378 -10.398) 12.312 46.696 ( 4.541 -13.596 19.497) 24.199 48.128 ( 9.105 31.796 27.893) 43.266 50.489 ( -11.607 0.604 -29.154) 31.385 51.163 ( 5.344 7.703 -13.918) 16.782 55.753 ( 0.177 -12.537 11.440) 16.973 57.306 ( -2.915 -4.711 -11.885) 13.113 ======================= Grid point 659 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -0.243 1.888 31.526) 31.583 5.517 ( 33.121 -6.559 42.283) 54.110 7.224 ( 2.502 10.969 8.611) 14.168 7.251 ( 3.976 -1.269 10.916) 11.687 8.153 ( -11.294 12.988 -16.344) 23.736 9.786 ( -6.587 -4.344 -8.389) 11.517 16.749 ( 9.337 -10.098 2.644) 14.005 17.625 ( 3.538 7.868 -13.116) 15.699 17.904 ( 4.036 22.272 8.255) 24.093 18.614 ( 27.756 24.572 -0.329) 37.071 22.166 ( -25.857 -28.187 37.683) 53.694 24.483 ( -13.449 -13.056 -14.349) 23.606 27.789 ( -1.074 -0.743 19.611) 19.654 28.920 ( -3.911 -2.725 20.970) 21.505 30.251 ( 1.247 -4.013 -14.349) 14.952 30.699 ( 16.346 27.587 -3.007) 32.207 31.213 ( -4.147 -1.532 -13.378) 14.089 31.641 ( 7.432 5.031 -8.008) 12.028 46.848 ( 12.357 -8.981 20.008) 25.173 48.799 ( 13.178 30.665 29.034) 44.237 50.069 ( -16.513 2.212 -34.389) 38.212 51.239 ( 2.931 4.339 -4.605) 6.972 55.744 ( 4.049 -8.806 8.939) 13.185 57.104 ( -5.657 -5.964 -13.146) 15.505 ======================= Grid point 660 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 10.313 7.055 14.813) 19.379 6.209 ( 28.187 -8.916 29.499) 41.763 6.860 ( 1.753 -24.837 -21.251) 32.734 7.734 ( -6.993 15.714 0.785) 17.218 8.048 ( -5.986 24.856 13.370) 28.852 9.608 ( -6.595 -4.315 0.238) 7.885 16.874 ( 12.423 -8.707 6.292) 16.423 17.648 ( 2.838 4.857 -18.239) 19.087 18.230 ( 0.253 25.415 9.270) 27.054 19.382 ( 34.028 22.736 2.237) 40.986 21.781 ( -19.564 -18.938 36.985) 45.927 23.971 ( -19.191 -15.770 -16.714) 29.939 27.889 ( -0.737 0.197 18.472) 18.488 28.874 ( -9.436 -5.394 13.238) 17.128 30.210 ( 6.295 -2.266 -7.303) 9.904 30.965 ( -5.012 3.100 -10.513) 12.052 31.210 ( 11.429 14.124 -6.497) 19.295 31.786 ( 8.136 5.682 -5.090) 11.153 47.176 ( 19.460 -5.276 21.436) 29.428 49.495 ( 13.287 27.084 25.812) 39.703 49.567 ( -17.847 2.913 -35.843) 40.146 51.277 ( -1.641 0.832 4.662) 5.012 55.830 ( 8.216 -3.994 5.271) 10.547 56.845 ( -7.730 -6.554 -14.596) 17.770 ======================= Grid point 661 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.440 ( 18.525 10.877 -0.209) 21.483 6.219 ( -0.395 -30.629 -24.807) 39.417 6.912 ( 7.929 1.576 12.244) 14.672 7.516 ( -6.115 3.050 -12.414) 14.171 8.474 ( 1.666 24.833 27.814) 37.324 9.472 ( -7.761 -5.390 8.558) 12.748 17.050 ( 11.506 -7.127 8.451) 15.956 17.583 ( 1.000 0.637 -22.066) 22.098 18.504 ( -4.167 24.827 10.503) 27.277 20.144 ( 26.892 17.463 6.127) 32.644 21.623 ( -5.030 -9.827 30.307) 32.255 23.342 ( -23.188 -17.629 -18.137) 34.314 27.989 ( -0.628 0.235 16.868) 16.881 28.680 ( -12.521 -6.851 5.667) 15.357 30.323 ( 10.600 -0.895 0.755) 10.664 30.790 ( -6.055 -1.364 -11.514) 13.081 31.485 ( 7.450 13.180 -4.312) 15.742 31.952 ( 7.660 5.520 -2.549) 9.780 47.644 ( 23.789 -2.796 23.273) 33.397 49.002 ( -19.854 0.231 -40.235) 44.867 50.161 ( 13.556 24.625 25.766) 38.132 51.249 ( -7.002 -2.638 12.187) 14.301 55.999 ( 11.252 0.122 1.978) 11.425 56.547 ( -8.811 -6.211 -16.144) 19.412 ======================= Grid point 662 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.880 ( 23.718 12.787 -11.832) 29.428 5.687 ( -4.473 -32.702 -27.834) 43.176 6.682 ( -31.140 15.637 -25.020) 42.898 7.766 ( 25.443 -8.735 20.920) 34.078 8.858 ( 0.612 19.583 21.176) 28.850 9.324 ( -11.530 -7.724 15.103) 20.511 17.180 ( 3.670 -2.313 -0.398) 4.357 17.453 ( 2.661 -6.479 -14.060) 15.708 18.688 ( -9.118 21.365 12.110) 26.196 20.563 ( 1.392 4.563 14.944) 15.687 21.880 ( 22.315 3.913 15.341) 27.361 22.648 ( -24.932 -18.381 -17.606) 35.630 28.075 ( -0.717 -0.368 14.819) 14.841 28.420 ( -12.709 -6.874 2.363) 14.641 30.522 ( 10.429 -1.637 2.891) 10.945 30.630 ( -2.249 -0.455 -8.020) 8.342 31.662 ( 3.217 10.332 -3.317) 11.318 32.109 ( 6.115 4.854 -1.058) 7.879 48.099 ( 7.696 -1.014 3.611) 8.561 48.507 ( -1.980 -1.856 -18.311) 18.511 50.731 ( 10.931 19.749 21.849) 31.415 51.132 ( -13.040 -6.105 17.577) 22.722 56.222 ( 9.485 1.456 -3.334) 10.159 56.242 ( -5.402 -3.304 -15.004) 16.286 ======================= Grid point 663 (219/288) ======================= q-point: (-0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.009 ( -5.507 -28.079 -23.781) 37.206 5.440 ( 23.858 10.863 -20.322) 33.169 6.080 ( -37.059 15.990 -29.027) 49.716 8.237 ( 24.125 -8.872 20.658) 32.976 9.101 ( -17.484 -10.947 20.306) 28.946 9.141 ( 0.333 14.943 14.878) 21.089 17.051 ( -5.604 1.073 -25.957) 26.577 17.454 ( 5.212 -10.858 13.124) 17.813 18.751 ( -14.610 16.265 13.555) 25.725 20.558 ( -11.739 -2.422 16.943) 20.754 21.943 ( -23.749 -18.872 -14.871) 33.783 22.518 ( 32.418 10.556 5.513) 34.536 28.130 ( -3.149 -3.034 10.329) 11.216 28.169 ( -9.565 -4.613 4.386) 11.489 30.485 ( -1.197 -1.133 -8.434) 8.593 30.791 ( 12.556 -0.604 6.188) 14.011 31.763 ( 0.308 8.276 -2.348) 8.608 32.230 ( 3.758 3.831 -0.922) 5.445 47.692 ( -20.476 -1.058 -37.226) 42.499 48.907 ( 26.641 -2.467 27.093) 38.077 50.899 ( -19.498 -9.527 20.496) 29.850 51.171 ( 7.360 13.916 17.510) 23.546 55.938 ( -8.687 -2.628 -19.611) 21.609 56.482 ( 13.844 4.712 -2.497) 14.835 ======================= Grid point 664 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( -12.792 -28.688 -17.343) 35.880 5.362 ( -40.540 15.467 -26.670) 50.932 5.951 ( 28.576 15.853 -24.095) 40.601 8.636 ( 18.692 -8.291 16.407) 26.217 8.762 ( -23.920 -14.652 24.898) 37.507 9.353 ( 1.627 10.591 9.355) 14.224 16.792 ( -5.068 0.896 -28.675) 29.133 17.507 ( -0.033 -9.752 21.508) 23.616 18.678 ( -19.742 11.060 14.063) 26.643 20.377 ( -16.518 -4.659 13.770) 22.004 21.307 ( -20.970 -17.585 -10.047) 29.154 23.185 ( 31.608 10.256 0.661) 33.237 27.926 ( -10.396 -5.959 2.728) 12.289 28.179 ( -1.380 -1.902 11.387) 11.627 30.436 ( 1.809 0.073 -7.480) 7.696 31.028 ( 12.054 -1.373 5.677) 13.394 31.812 ( -1.510 6.636 -1.612) 6.994 32.291 ( 0.799 2.466 -2.186) 3.391 47.125 ( -19.102 -0.150 -34.634) 39.553 49.499 ( 25.180 -3.408 31.071) 40.138 50.537 ( -26.216 -12.950 22.514) 36.903 51.463 ( 4.282 7.580 11.951) 14.785 55.659 ( -8.348 0.626 -21.279) 22.867 56.743 ( 13.690 5.248 -4.220) 15.257 ======================= Grid point 672 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.028 ( 0.000 -7.248 46.898) 47.455 4.695 ( 0.000 -7.303 46.879) 47.445 7.147 ( 0.000 39.236 45.935) 60.411 7.215 ( -0.000 -23.690 -23.687) 33.500 8.346 ( -0.000 13.713 -13.476) 19.226 9.908 ( -0.000 -3.505 -14.701) 15.113 16.569 ( 0.000 -13.316 -0.255) 13.318 17.629 ( -0.000 13.383 4.151) 14.012 17.709 ( -0.000 15.619 -5.418) 16.532 18.164 ( -0.000 33.120 -2.044) 33.183 22.695 ( 0.000 -40.776 31.885) 51.763 24.716 ( -0.000 -12.841 -13.322) 18.503 27.817 ( 0.000 -2.996 21.261) 21.472 28.968 ( 0.000 -0.705 23.564) 23.575 30.288 ( -0.000 -5.670 -18.225) 19.087 30.306 ( -0.000 40.641 3.559) 40.796 31.368 ( -0.000 0.687 -13.603) 13.620 31.433 ( -0.000 4.487 -11.299) 12.157 46.624 ( 0.000 -16.447 22.005) 27.472 48.575 ( 0.000 37.403 28.591) 47.079 50.454 ( -0.000 4.832 -30.284) 30.667 51.097 ( -0.000 11.977 -18.840) 22.324 55.676 ( 0.000 -17.649 14.936) 23.121 57.203 ( -0.000 -6.204 -12.481) 13.938 ======================= Grid point 673 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( -10.726 -3.668 38.766) 40.389 5.169 ( 27.386 -10.385 43.220) 52.210 6.819 ( 0.705 -27.458 -26.446) 38.129 7.772 ( 0.474 34.965 34.424) 49.070 8.354 ( -5.977 15.276 -11.587) 20.084 9.768 ( -2.795 -2.521 -11.950) 12.529 16.508 ( 6.771 -12.362 2.964) 14.403 17.672 ( -5.224 13.287 -8.252) 16.490 18.042 ( 13.716 20.602 6.608) 25.618 18.554 ( 8.919 33.550 -2.400) 34.798 22.411 ( -12.751 -33.253 34.164) 49.352 24.428 ( -7.252 -15.832 -15.436) 23.270 27.919 ( -0.663 -1.195 20.672) 20.717 29.078 ( -2.476 -2.432 21.115) 21.398 30.112 ( -0.427 -4.525 -16.396) 17.014 30.770 ( 9.066 31.334 1.206) 32.641 31.213 ( -6.432 0.913 -14.165) 15.583 31.507 ( 7.855 5.716 -10.029) 13.962 46.679 ( 8.362 -14.817 23.621) 29.110 49.162 ( 5.160 37.209 28.602) 47.215 50.187 ( -14.645 8.525 -35.028) 38.912 51.169 ( 6.071 10.602 -14.234) 18.758 55.626 ( 3.399 -16.398 15.122) 22.564 57.033 ( -3.031 -7.310 -13.317) 15.491 ======================= Grid point 674 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -2.779 0.360 25.157) 25.312 5.799 ( 28.843 -13.098 32.150) 45.134 6.409 ( 3.939 -28.755 -21.386) 36.052 8.054 ( -12.503 18.151 -11.068) 24.663 8.476 ( -1.815 27.252 21.427) 34.715 9.639 ( -3.034 -2.269 -5.350) 6.556 16.589 ( 12.716 -11.649 7.034) 18.625 17.639 ( -4.648 11.059 -15.033) 19.233 18.536 ( 7.295 28.376 11.821) 31.594 19.100 ( 23.467 27.741 -3.495) 36.503 22.091 ( -15.799 -25.098 34.742) 45.678 23.980 ( -13.916 -18.279 -17.916) 29.134 28.021 ( -0.981 -0.386 19.363) 19.392 29.053 ( -8.611 -5.426 11.819) 15.597 30.037 ( 5.301 -2.528 -7.582) 9.591 31.016 ( -6.913 -0.119 -14.371) 15.948 31.192 ( 8.744 23.447 -0.269) 25.026 31.661 ( 9.276 6.724 -7.360) 13.617 46.912 ( 17.228 -12.499 25.468) 33.191 49.730 ( -19.804 11.185 -34.676) 41.470 49.800 ( 5.779 32.817 22.494) 40.204 51.287 ( 4.259 6.999 -5.756) 10.013 55.668 ( 7.841 -11.612 12.139) 18.539 56.801 ( -5.699 -7.587 -14.329) 17.186 ======================= Grid point 675 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( 7.061 4.371 10.279) 13.214 5.786 ( -0.687 -28.634 -24.773) 37.869 6.598 ( 30.684 -13.586 30.818) 45.561 7.784 ( -21.927 15.073 -24.502) 36.171 8.866 ( -0.702 24.274 22.342) 32.998 9.555 ( -3.215 -3.226 2.634) 5.262 16.777 ( 15.695 -11.055 10.774) 22.014 17.537 ( -5.816 7.981 -20.306) 22.580 18.937 ( -3.632 32.628 12.206) 35.026 19.816 ( 33.435 21.239 -2.005) 39.661 21.839 ( -12.540 -18.994 32.600) 39.759 23.400 ( -18.948 -19.844 -19.699) 33.777 28.111 ( -1.258 -0.617 17.485) 17.541 28.849 ( -12.332 -6.864 2.361) 14.310 30.138 ( 10.035 -1.656 2.190) 10.404 30.810 ( -6.738 -0.563 -13.582) 15.172 31.511 ( 5.833 17.738 -0.975) 18.698 31.848 ( 9.234 6.647 -4.577) 12.264 47.317 ( 24.491 -10.642 27.724) 38.493 49.178 ( -25.098 8.804 -41.538) 49.323 50.401 ( 8.309 29.457 24.006) 38.898 51.359 ( -0.589 2.760 2.717) 3.917 55.807 ( 11.388 -6.092 7.809) 15.092 56.527 ( -7.597 -6.623 -15.358) 18.369 ======================= Grid point 676 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( 15.374 7.723 -3.103) 17.482 5.303 ( -4.080 -27.409 -25.178) 37.441 7.078 ( 2.431 1.846 8.890) 9.400 7.446 ( -1.127 1.724 -7.644) 7.917 9.169 ( -1.543 18.093 15.666) 23.983 9.481 ( -5.785 -5.348 9.562) 12.390 17.011 ( 14.497 -9.567 12.965) 21.674 17.350 ( -7.104 4.240 -23.286) 24.712 19.199 ( -10.890 31.104 12.552) 35.265 20.506 ( 23.827 14.719 1.249) 28.034 21.750 ( 1.901 -12.576 25.483) 28.480 22.738 ( -21.650 -20.388 -19.644) 35.641 28.178 ( -1.441 -1.613 15.185) 15.339 28.573 ( -12.523 -6.726 -0.961) 14.247 30.336 ( 11.841 -2.112 6.251) 13.555 30.623 ( -5.085 -0.618 -11.857) 12.916 31.725 ( 2.350 13.948 -1.042) 14.183 32.034 ( 7.945 5.950 -2.521) 10.241 47.841 ( 27.077 -9.007 28.543) 40.361 48.577 ( -24.106 6.631 -40.041) 47.206 50.921 ( 7.079 22.811 19.379) 30.757 51.344 ( -6.617 -1.539 9.702) 11.844 56.017 ( 13.476 -1.493 3.587) 14.025 56.239 ( -8.637 -4.189 -16.232) 18.858 ======================= Grid point 677 (226/288) ======================= q-point: (-0.29 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.743 ( -4.295 -17.276 -17.107) 24.690 5.043 ( 19.265 5.839 -15.422) 25.359 6.686 ( -35.046 17.920 -27.340) 47.925 7.821 ( 28.027 -13.144 23.209) 38.690 9.355 ( -10.786 -8.189 15.165) 20.331 9.363 ( -1.695 11.935 9.251) 15.195 17.052 ( -9.135 4.973 -23.524) 25.721 17.277 ( 11.998 -11.233 14.213) 21.729 19.324 ( -17.373 26.525 13.887) 34.616 20.791 ( -3.286 3.208 9.600) 10.642 21.966 ( -0.755 -16.173 -5.373) 17.059 22.152 ( 7.392 -5.522 -1.640) 9.371 28.213 ( -2.115 -3.260 12.126) 12.733 28.305 ( -10.755 -5.851 0.029) 12.243 30.452 ( -1.712 -0.386 -7.885) 8.078 30.595 ( 11.695 -2.758 4.939) 12.991 31.855 ( -0.519 11.153 -0.677) 11.186 32.188 ( 5.482 4.876 -1.800) 7.555 47.882 ( -24.344 6.827 -34.291) 42.604 48.524 ( 29.876 -10.102 27.190) 41.640 51.208 ( -12.580 -4.060 13.697) 19.036 51.316 ( 3.927 13.120 14.607) 20.023 55.963 ( -9.230 -0.323 -16.816) 19.185 56.266 ( 14.405 1.615 -0.009) 14.495 ======================= Grid point 678 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( -11.582 -13.890 -8.656) 20.050 5.458 ( 27.047 13.548 -20.360) 36.464 6.061 ( -39.108 18.206 -28.380) 51.636 8.276 ( 24.477 -12.412 20.563) 34.293 9.128 ( -17.674 -11.751 20.084) 29.220 9.470 ( -0.549 6.233 3.465) 7.152 16.776 ( -9.567 5.098 -25.899) 28.076 17.462 ( 8.523 -10.285 20.723) 24.655 19.296 ( -23.597 20.470 15.081) 34.688 20.697 ( -14.390 -0.609 10.860) 18.039 21.381 ( -18.923 -21.530 -12.649) 31.331 22.699 ( 34.674 3.994 1.037) 34.919 28.054 ( -10.108 -5.735 1.056) 11.670 28.243 ( -1.183 -3.914 11.065) 11.797 30.375 ( -0.379 0.520 -8.446) 8.471 30.818 ( 13.257 -3.792 5.930) 15.010 31.922 ( -2.653 8.851 -0.226) 9.243 32.282 ( 2.253 3.402 -2.464) 4.767 47.318 ( -24.184 8.100 -33.802) 42.345 49.138 ( 31.514 -11.457 32.903) 46.979 50.950 ( -20.829 -9.314 17.744) 28.904 51.536 ( 2.456 5.480 7.121) 9.315 55.722 ( -9.668 4.902 -16.879) 20.060 56.524 ( 14.398 3.131 -2.975) 15.032 ======================= Grid point 687 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.438 ( 0.000 -6.095 40.057) 40.518 5.035 ( 0.000 -12.018 39.695) 41.474 6.370 ( -0.000 -29.026 -28.199) 40.469 8.235 ( -0.000 25.538 9.794) 27.352 8.540 ( -0.000 21.520 6.964) 22.618 9.694 ( -0.000 -0.951 -13.118) 13.152 16.354 ( 0.000 -11.855 5.281) 12.978 17.946 ( -0.000 16.983 -8.887) 19.168 17.985 ( -0.000 17.303 3.844) 17.725 18.859 ( -0.000 38.741 1.249) 38.761 22.397 ( 0.000 -31.457 32.614) 45.313 24.223 ( -0.000 -18.517 -17.367) 25.387 28.039 ( 0.000 -0.956 20.213) 20.236 29.198 ( 0.000 -3.401 17.737) 18.061 29.972 ( -0.000 -3.930 -14.889) 15.399 30.982 ( -0.000 23.373 0.297) 23.375 31.245 ( -0.000 7.383 -12.765) 14.746 31.410 ( -0.000 6.289 -9.658) 11.525 46.606 ( 0.000 -15.615 25.965) 30.299 49.660 ( 0.000 37.346 27.562) 46.415 50.211 ( -0.000 12.069 -36.852) 38.778 51.125 ( -0.000 14.106 -17.927) 22.811 55.525 ( 0.000 -18.759 19.065) 26.746 56.901 ( -0.000 -8.157 -13.508) 15.780 ======================= Grid point 688 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.448 ( -12.351 -5.421 31.654) 34.408 5.411 ( 24.407 -14.239 33.457) 43.793 5.934 ( 2.769 -28.274 -23.839) 37.086 8.323 ( -8.453 16.033 -14.651) 23.306 8.889 ( -0.457 25.808 22.042) 33.942 9.607 ( -0.570 -0.278 -10.212) 10.232 16.350 ( 7.559 -11.201 8.980) 16.225 17.832 ( -12.755 14.695 -11.173) 22.438 18.501 ( 25.018 19.089 3.515) 31.664 19.257 ( 0.669 39.007 1.731) 39.051 22.239 ( -7.715 -26.747 31.702) 42.189 23.857 ( -7.340 -20.511 -19.760) 29.412 28.144 ( -0.571 -1.071 18.639) 18.679 29.181 ( -5.951 -6.278 5.879) 10.459 29.907 ( 3.314 -1.119 -3.769) 5.142 31.032 ( -4.926 2.426 -14.095) 15.126 31.340 ( 1.720 21.494 1.000) 21.586 31.526 ( 8.993 8.119 -7.958) 14.495 46.707 ( 10.012 -14.831 28.044) 33.267 49.951 ( -16.905 14.586 -40.046) 45.850 50.201 ( 3.269 33.866 24.825) 42.117 51.223 ( 6.319 12.672 -13.980) 19.898 55.512 ( 5.126 -16.383 18.879) 25.517 56.713 ( -3.003 -7.986 -13.698) 16.138 ======================= Grid point 689 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( -4.826 -2.793 19.391) 20.177 5.394 ( -1.067 -24.385 -22.910) 33.476 6.105 ( 32.432 -16.565 32.401) 48.745 8.140 ( -18.083 15.889 -21.316) 32.153 9.221 ( -1.263 20.222 16.576) 26.178 9.556 ( 0.147 -0.925 -3.683) 3.801 16.490 ( 13.420 -10.719 12.750) 21.391 17.672 ( -11.837 12.071 -16.862) 23.878 19.179 ( 25.947 21.274 8.043) 34.504 19.652 ( 4.262 34.488 -1.105) 34.768 22.030 ( -10.624 -22.544 30.142) 39.111 23.348 ( -13.570 -21.368 -21.632) 33.297 28.224 ( -1.089 -1.964 16.329) 16.483 28.972 ( -10.282 -7.176 -4.046) 13.175 30.005 ( 7.130 -0.438 6.268) 9.503 30.848 ( -7.574 1.661 -14.448) 16.397 31.599 ( 5.013 16.602 1.289) 17.390 31.724 ( 9.304 8.455 -5.514) 13.728 46.996 ( 19.569 -13.943 30.227) 38.614 49.475 ( -25.684 15.153 -42.542) 51.953 50.714 ( 4.814 27.881 21.029) 35.253 51.364 ( 4.668 8.523 -6.595) 11.744 55.609 ( 9.856 -11.363 15.166) 21.361 56.486 ( -5.506 -6.257 -13.705) 16.041 ======================= Grid point 690 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.482 ( 5.063 0.993 6.370) 8.198 4.997 ( -3.590 -19.448 -20.391) 28.406 6.710 ( 33.196 -15.971 32.136) 48.885 7.782 ( -25.480 16.693 -26.010) 40.054 9.435 ( -2.256 13.441 9.643) 16.696 9.536 ( -0.899 -2.763 3.372) 4.451 16.730 ( 16.321 -10.264 15.866) 24.969 17.456 ( -12.612 9.650 -21.188) 26.479 19.742 ( -1.352 31.543 14.305) 34.662 20.142 ( 28.430 18.587 -7.339) 34.751 21.832 ( -8.620 -19.695 27.256) 34.714 22.741 ( -17.798 -20.999 -21.851) 35.145 28.268 ( -1.427 -3.480 13.645) 14.154 28.688 ( -11.104 -6.599 -6.158) 14.310 30.185 ( 9.228 -1.376 9.222) 13.118 30.653 ( -7.175 1.728 -12.990) 14.940 31.823 ( 2.750 13.813 1.107) 14.128 31.927 ( 9.428 6.596 -3.598) 12.056 47.450 ( 26.983 -13.557 32.338) 44.245 48.890 ( -29.434 14.445 -42.405) 53.602 51.141 ( 4.766 19.721 15.386) 25.463 51.444 ( -0.422 3.476 1.009) 3.644 55.797 ( 12.940 -5.985 9.913) 17.365 56.249 ( -7.303 -2.699 -13.294) 15.406 ======================= Grid point 691 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( -1.031 -4.132 -7.193) 8.359 4.736 ( 9.665 -1.339 -10.222) 14.131 7.205 ( -5.269 4.261 2.428) 7.198 7.384 ( 5.247 -2.168 -2.116) 6.059 9.493 ( -4.695 -5.455 9.410) 11.847 9.529 ( -2.557 6.718 3.142) 7.845 17.014 ( 15.755 -9.348 17.840) 25.571 17.183 ( -13.151 7.777 -23.069) 27.669 19.974 ( -15.345 30.196 14.679) 36.915 20.722 ( 22.641 9.480 -6.023) 25.274 21.747 ( 3.863 -16.211 19.454) 25.616 22.109 ( -17.137 -18.445 -18.516) 31.253 28.276 ( -1.513 -5.157 10.998) 12.241 28.412 ( -10.249 -5.886 -4.700) 12.720 30.387 ( 9.456 -2.113 8.231) 12.714 30.494 ( -4.369 1.591 -10.222) 11.230 31.971 ( -0.014 11.066 0.850) 11.099 32.114 ( 7.735 5.085 -2.296) 9.537 48.002 ( 26.201 -11.268 30.089) 41.458 48.284 ( -24.607 11.184 -35.870) 44.914 51.412 ( -5.069 2.664 7.086) 9.111 51.437 ( 1.698 5.834 8.708) 10.618 56.029 ( 1.380 0.698 -4.505) 4.763 56.042 ( 4.397 0.045 -3.142) 5.405 ======================= Grid point 692 (233/288) ======================= q-point: (-0.21 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( -9.305 1.280 0.592) 9.411 5.028 ( 23.013 8.487 -15.685) 29.115 6.710 ( -36.357 19.373 -27.994) 49.808 7.830 ( 28.667 -15.518 24.038) 40.502 9.372 ( -10.623 -8.699 14.579) 20.027 9.526 ( -1.838 0.249 -2.639) 3.226 16.888 ( -13.190 8.534 -23.114) 27.947 17.298 ( 13.920 -9.391 20.255) 26.311 20.006 ( -22.917 22.267 17.090) 36.236 20.894 ( -1.714 0.169 -2.847) 3.327 21.421 ( -20.359 -18.366 -9.041) 28.871 22.143 ( 31.202 -4.069 2.781) 31.588 28.164 ( -9.345 -5.188 -1.582) 10.805 28.270 ( -0.629 -6.523 8.708) 10.899 30.369 ( -3.488 2.734 -8.564) 9.642 30.605 ( 11.735 -3.859 6.724) 14.064 32.053 ( -2.216 8.610 1.007) 8.948 32.245 ( 4.461 3.338 -2.422) 6.075 47.671 ( -28.462 14.987 -33.320) 46.313 48.654 ( 33.866 -15.355 33.432) 50.004 51.265 ( -14.317 -5.757 12.264) 19.711 51.552 ( 1.800 -0.413 0.607) 1.944 55.865 ( -9.453 8.506 -10.817) 16.695 56.291 ( 14.451 0.840 0.053) 14.475 ======================= Grid point 702 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.745 ( 0.000 -8.417 31.909) 33.001 5.208 ( 0.000 -15.739 33.105) 36.656 5.496 ( -0.000 -24.875 -23.900) 34.495 8.457 ( -0.000 14.844 -14.603) 20.822 9.243 ( 0.000 21.042 17.000) 27.051 9.542 ( -0.000 1.102 -12.394) 12.443 16.245 ( 0.000 -10.354 12.298) 16.077 18.121 ( -0.000 14.526 -13.407) 19.767 18.357 ( -0.000 16.853 1.523) 16.922 19.674 ( -0.000 40.585 4.699) 40.856 22.232 ( 0.000 -25.522 29.068) 38.683 23.586 ( -0.000 -21.680 -21.884) 30.805 28.242 ( 0.000 -2.136 16.578) 16.715 29.167 ( -0.000 -7.699 -5.673) 9.563 29.883 ( 0.000 0.724 6.142) 6.184 31.034 ( -0.000 4.073 -14.198) 14.771 31.438 ( -0.000 6.949 -6.803) 9.724 31.560 ( -0.000 19.473 1.636) 19.542 46.652 ( 0.000 -15.179 30.039) 33.656 50.012 ( -0.000 16.987 -41.978) 45.285 50.625 ( 0.000 29.186 21.343) 36.157 51.204 ( -0.000 15.657 -16.375) 22.656 55.429 ( 0.000 -17.246 22.568) 28.403 56.582 ( -0.000 -7.189 -12.727) 14.617 ======================= Grid point 703 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( -13.432 -9.204 24.174) 29.146 5.087 ( -2.542 -17.782 -17.272) 24.920 5.609 ( 29.331 -17.410 30.885) 46.014 8.418 ( -10.677 14.997 -16.931) 25.011 9.491 ( -0.496 11.644 6.112) 13.160 9.499 ( 1.265 4.081 -5.477) 6.947 16.299 ( 7.497 -9.639 15.895) 20.044 17.944 ( -16.680 12.665 -14.859) 25.679 18.843 ( 29.035 14.479 -1.341) 32.472 20.069 ( -2.806 38.526 5.311) 38.991 22.115 ( -5.376 -23.628 26.664) 36.030 23.177 ( -7.122 -21.001 -23.356) 32.206 28.302 ( -0.547 -3.750 13.684) 14.199 28.985 ( -5.330 -7.413 -11.989) 15.069 29.977 ( 3.024 0.713 11.826) 12.228 30.919 ( -7.214 4.522 -13.964) 16.355 31.556 ( 8.902 7.222 -4.539) 12.329 31.760 ( 1.913 15.445 1.670) 15.653 46.785 ( 10.796 -15.030 31.885) 36.867 49.760 ( -18.082 18.520 -43.372) 50.509 51.009 ( 2.705 21.397 15.270) 26.426 51.318 ( 5.357 14.087 -12.355) 19.488 55.460 ( 5.874 -14.515 21.663) 26.730 56.425 ( -2.810 -4.617 -11.301) 12.527 ======================= Grid point 704 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( -5.471 -6.939 14.077) 16.621 4.813 ( -3.321 -8.711 -12.376) 15.494 6.170 ( 33.785 -18.467 31.828) 49.954 8.186 ( -20.424 16.022 -21.573) 33.753 9.505 ( 2.710 -0.021 -3.183) 4.180 9.614 ( -2.106 7.385 3.262) 8.344 16.491 ( 12.987 -9.057 18.763) 24.551 17.679 ( -16.064 10.708 -18.696) 26.875 19.510 ( 36.126 10.949 -3.069) 37.874 20.380 ( -6.149 33.605 5.814) 34.654 21.932 ( -7.922 -22.212 23.979) 33.632 22.671 ( -13.211 -17.864 -22.995) 31.975 28.318 ( -0.935 -5.735 10.513) 12.012 28.730 ( -7.734 -6.331 -12.075) 15.675 30.123 ( 5.018 -0.377 12.320) 13.308 30.743 ( -8.905 4.864 -12.455) 16.064 31.777 ( 11.173 6.496 -2.827) 13.229 31.937 ( 1.891 12.067 1.571) 12.314 47.105 ( 20.560 -15.149 33.499) 42.124 49.283 ( -27.721 18.957 -42.897) 54.479 51.302 ( 4.021 11.802 8.140) 14.890 51.458 ( 3.312 9.368 -5.712) 11.461 55.602 ( 10.544 -9.805 17.092) 22.349 56.270 ( -5.100 -0.134 -9.331) 10.635 ======================= Grid point 705 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( 5.238 -3.040 2.463) 6.538 4.667 ( -4.845 2.562 -2.612) 6.072 6.751 ( 34.172 -18.985 30.043) 49.303 7.798 ( -27.402 17.368 -25.439) 41.227 9.527 ( 0.535 -2.299 3.194) 3.972 9.610 ( -2.726 0.339 -3.119) 4.156 16.770 ( 15.667 -8.626 20.490) 27.198 17.385 ( -15.907 9.485 -21.134) 28.101 20.188 ( 36.485 6.141 -7.194) 37.691 20.578 ( -9.631 25.304 8.011) 28.235 21.733 ( -5.640 -20.967 19.712) 29.326 22.132 ( -17.896 -10.959 -19.396) 28.575 28.292 ( -0.873 -7.665 7.663) 10.874 28.471 ( -8.204 -5.313 -9.440) 13.588 30.283 ( 6.762 -1.721 10.748) 12.815 30.576 ( -8.308 5.275 -10.366) 14.294 31.999 ( 9.816 4.944 -1.901) 11.154 32.074 ( 0.853 9.454 1.670) 9.638 47.575 ( 27.950 -15.814 34.455) 47.100 48.708 ( -31.401 18.919 -39.873) 54.165 51.462 ( 3.369 1.789 1.619) 4.144 51.520 ( -1.431 3.332 -0.075) 3.627 55.818 ( 13.108 -5.053 10.962) 17.819 56.145 ( -6.866 5.559 -7.010) 11.278 ======================= Grid point 706 (238/288) ======================= q-point: (-0.21 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( 15.641 1.499 -9.054) 18.134 4.672 ( -6.522 14.294 9.054) 18.134 7.306 ( -31.294 18.159 -27.967) 45.730 7.306 ( 31.374 -18.022 27.967) 45.730 9.499 ( -2.457 -6.364 -8.719) 11.070 9.499 ( -4.283 -5.310 8.719) 11.070 17.083 ( -15.079 9.493 -21.111) 27.626 17.083 ( 15.761 -8.313 21.111) 27.626 20.634 ( 19.265 -6.683 -17.364) 26.782 20.634 ( -15.420 13.342 17.364) 26.782 21.670 ( -10.624 -1.864 -13.525) 17.299 21.670 ( 3.697 -10.132 13.525) 17.299 28.242 ( -7.636 -4.595 -5.853) 10.663 28.242 ( -0.162 -8.911 5.853) 10.663 30.445 ( -6.527 5.594 -8.298) 11.948 30.445 ( 8.108 -2.856 8.298) 11.948 32.167 ( 6.711 2.889 -1.959) 7.565 32.167 ( -0.853 7.257 1.959) 7.565 48.139 ( -30.335 19.313 -34.422) 49.780 48.139 ( 31.893 -16.615 34.422) 49.780 51.466 ( 1.594 -7.524 -6.312) 9.950 51.466 ( -7.313 -2.382 6.312) 9.950 56.063 ( -8.200 11.117 -4.849) 14.640 56.063 ( 13.728 -1.542 4.849) 14.640 ======================= Grid point 718 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( 0.000 -8.671 -1.137) 8.745 5.051 ( 0.000 -12.437 16.635) 20.770 5.246 ( 0.000 -18.805 28.200) 33.895 8.562 ( -0.000 14.362 -14.204) 20.199 9.426 ( -0.000 2.535 -12.629) 12.881 9.652 ( -0.000 7.717 3.439) 8.448 16.255 ( 0.000 -8.610 19.483) 21.301 18.167 ( -0.000 9.740 -18.009) 20.474 18.647 ( -0.000 12.349 -1.640) 12.457 20.482 ( -0.000 33.957 4.681) 34.278 22.082 ( 0.000 -23.779 23.388) 33.353 22.905 ( -0.000 -17.019 -23.604) 29.099 28.334 ( 0.000 -5.812 10.238) 11.772 28.870 ( -0.000 -6.805 -16.191) 17.563 30.045 ( 0.000 0.834 14.315) 14.339 30.964 ( -0.000 6.577 -13.163) 14.714 31.510 ( -0.000 6.640 -3.273) 7.403 31.896 ( -0.000 12.556 2.452) 12.794 46.745 ( 0.000 -15.314 33.272) 36.627 49.844 ( -0.000 19.909 -43.825) 48.135 51.192 ( -0.000 12.882 -0.183) 12.883 51.365 ( -0.000 15.605 -5.463) 16.534 55.409 ( 0.000 -14.696 24.617) 28.670 56.359 ( -0.000 -1.279 -8.269) 8.367 ======================= Grid point 719 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -8.400 -6.727 9.257) 14.196 4.829 ( -9.416 -4.207 7.965) 13.030 5.624 ( 30.778 -19.867 29.519) 47.046 8.501 ( -12.816 14.628 -16.533) 25.526 9.416 ( 4.148 2.491 -9.540) 10.697 9.682 ( -1.231 0.421 -3.233) 3.485 16.365 ( 6.922 -7.738 22.347) 24.641 17.944 ( -16.574 8.215 -18.653) 26.270 19.016 ( 27.712 7.329 -5.658) 29.218 20.766 ( -2.243 23.381 2.077) 23.580 21.947 ( -4.258 -23.901 20.278) 31.632 22.582 ( -7.460 -7.200 -20.551) 23.018 28.315 ( -0.420 -7.908 6.732) 10.394 28.677 ( -3.425 -5.687 -15.991) 17.314 30.151 ( 1.509 0.237 13.650) 13.736 30.880 ( -8.016 7.426 -11.284) 15.708 31.645 ( 9.084 6.049 -1.916) 11.081 32.029 ( 1.186 9.619 2.376) 9.979 46.895 ( 10.959 -15.595 34.373) 39.304 49.613 ( -18.135 20.742 -42.801) 50.902 51.316 ( 4.728 7.371 -4.902) 10.035 51.473 ( 1.900 8.141 -5.838) 10.196 55.476 ( 5.970 -12.040 22.894) 26.547 56.307 ( -2.525 3.535 -4.952) 6.587 ======================= Grid point 720 (241/288) ======================= q-point: (-0.29 -0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( -5.664 -10.831 10.036) 15.815 4.834 ( -3.427 13.732 7.034) 15.805 6.158 ( 34.434 -21.477 29.550) 50.201 8.233 ( -22.059 15.664 -21.081) 34.298 9.476 ( 4.611 1.069 -3.241) 5.737 9.582 ( -2.124 -6.800 -9.354) 11.758 16.594 ( 11.688 -7.212 23.661) 27.358 17.619 ( -16.472 7.354 -20.238) 27.111 19.547 ( 34.797 0.930 -10.106) 36.247 20.883 ( -2.098 7.977 -0.381) 8.257 21.723 ( -7.238 -25.213 15.700) 30.571 22.300 ( -14.504 9.629 -12.386) 21.366 28.253 ( -0.502 -9.717 3.712) 10.414 28.465 ( -4.988 -4.573 -13.095) 14.741 30.261 ( 2.712 -0.697 11.501) 11.837 30.737 ( -9.847 7.882 -9.007) 15.499 31.861 ( 10.591 4.596 -1.141) 11.602 32.149 ( 1.491 7.319 2.309) 7.818 47.220 ( 20.410 -16.243 34.703) 43.413 49.166 ( -27.705 21.139 -39.550) 52.712 51.379 ( 3.226 -5.009 -5.205) 7.912 51.526 ( 2.627 5.146 -7.683) 9.613 55.643 ( 10.239 -7.881 17.618) 21.848 56.284 ( -4.669 8.711 -2.005) 10.085 ======================= Grid point 733 (242/288) ======================= q-point: (-0.36 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.792 ( 0.000 6.627 8.774) 10.995 5.080 ( 0.000 -10.177 21.982) 24.224 5.176 ( 0.000 -21.892 25.220) 33.396 8.667 ( -0.000 13.742 -13.278) 19.109 9.331 ( -0.000 4.098 -13.185) 13.807 9.621 ( -0.000 -7.011 -9.559) 11.854 16.385 ( 0.000 -6.485 25.515) 26.326 18.054 ( -0.000 3.629 -21.713) 22.014 18.770 ( -0.000 4.334 -5.740) 7.192 20.907 ( -0.000 4.816 -6.338) 7.960 21.861 ( 0.000 -24.848 17.246) 30.246 22.557 ( -0.000 10.821 -13.230) 17.092 28.263 ( 0.000 -9.726 3.255) 10.257 28.552 ( -0.000 -4.715 -16.693) 17.346 30.226 ( 0.000 0.451 12.865) 12.873 30.972 ( -0.000 8.778 -10.224) 13.475 31.609 ( -0.000 5.402 -0.043) 5.402 32.114 ( -0.000 7.063 2.435) 7.471 46.863 ( 0.000 -15.783 35.119) 38.502 49.718 ( -0.000 21.075 -41.539) 46.580 51.286 ( -0.000 2.627 -8.038) 8.457 51.451 ( -0.000 3.429 -12.459) 12.922 55.456 ( 0.000 -11.895 25.037) 27.720 56.364 ( -0.000 7.752 -0.999) 7.816 ======================= Grid point 734 (243/288) ======================= q-point: (-0.29 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.628 ( -16.568 -17.492 17.526) 29.793 5.117 ( -1.148 21.267 14.538) 25.787 5.557 ( 31.199 -22.706 27.661) 47.477 8.578 ( -15.077 13.830 -16.278) 26.145 9.364 ( 6.555 4.217 -9.521) 12.305 9.431 ( -1.028 -14.359 -15.311) 21.016 16.539 ( 5.708 -5.652 27.021) 28.190 17.800 ( -13.315 2.174 -21.496) 25.379 18.971 ( 23.691 -2.369 -10.241) 25.918 20.824 ( 1.304 -9.262 -11.750) 15.018 21.673 ( -4.662 -25.895 14.420) 30.003 22.617 ( -7.771 25.549 -5.536) 27.273 28.170 ( -0.276 -11.064 0.531) 11.080 28.396 ( -1.963 -3.713 -14.712) 15.300 30.307 ( 0.301 0.329 10.937) 10.947 30.926 ( -7.999 9.206 -8.107) 14.645 31.737 ( 8.099 4.214 0.450) 9.141 32.198 ( 1.304 5.049 2.371) 5.728 47.014 ( 10.513 -16.187 35.248) 40.186 49.523 ( -17.248 21.244 -38.390) 47.144 51.193 ( 1.618 -14.254 -11.739) 18.536 51.459 ( 4.263 8.200 -13.478) 16.343 55.548 ( 5.581 -9.447 22.681) 25.196 56.442 ( -2.330 11.506 1.741) 11.868 ======================= Grid point 748 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.856 ( 0.000 -22.051 22.528) 31.524 5.015 ( 0.000 -25.871 24.151) 35.392 5.519 ( 0.000 28.059 20.539) 34.772 8.764 ( -0.000 12.514 -12.879) 17.957 9.153 ( -0.000 -21.872 -20.652) 30.081 9.269 ( -0.000 6.518 -13.441) 14.938 16.619 ( 0.000 -4.239 29.296) 29.601 17.780 ( -0.000 -3.398 -23.135) 23.383 18.654 ( -0.000 -5.820 -11.060) 12.498 20.595 ( -0.000 -15.686 -15.217) 21.855 21.540 ( 0.000 -26.445 11.948) 29.019 22.942 ( -0.000 31.281 -2.106) 31.352 28.057 ( 0.000 -11.851 -1.624) 11.962 28.290 ( -0.000 -2.816 -13.989) 14.269 30.377 ( 0.000 1.184 9.447) 9.521 31.044 ( -0.000 9.534 -7.445) 12.097 31.708 ( 0.000 3.491 1.873) 3.961 32.239 ( 0.000 3.151 2.230) 3.861 46.986 ( 0.000 -16.226 35.586) 39.111 49.649 ( -0.000 20.508 -35.694) 41.166 50.905 ( -0.000 -23.234 -18.197) 29.512 51.417 ( -0.000 9.719 -14.756) 17.669 55.554 ( 0.000 -9.068 24.173) 25.818 56.601 ( -0.000 13.494 3.771) 14.011 ======================= Grid point 855 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( 0.000 -0.000 51.244) 51.244 4.255 ( 0.000 -0.000 51.244) 51.244 5.820 ( 0.000 -0.000 64.896) 64.896 7.968 ( -0.000 0.000 -15.139) 15.139 7.968 ( -0.000 0.000 -15.139) 15.139 10.110 ( -0.000 0.000 -18.421) 18.421 17.153 ( 0.000 0.000 -3.322) 3.322 17.153 ( -0.000 -0.000 -3.322) 3.322 17.380 ( -0.000 0.000 -1.797) 1.797 17.380 ( -0.000 0.000 -1.797) 1.797 23.767 ( 0.000 -0.000 7.684) 7.684 25.048 ( -0.000 0.000 -10.877) 10.877 27.971 ( 0.000 -0.000 21.876) 21.876 28.837 ( 0.000 -0.000 25.044) 25.044 28.837 ( 0.000 -0.000 25.044) 25.044 30.529 ( -0.000 0.000 -16.921) 16.921 31.427 ( -0.000 0.000 -13.533) 13.533 31.427 ( -0.000 0.000 -13.533) 13.533 47.216 ( 0.000 -0.000 24.938) 24.938 47.216 ( 0.000 -0.000 24.938) 24.938 50.777 ( -0.000 0.000 -24.904) 24.904 50.777 ( -0.000 0.000 -24.904) 24.904 55.989 ( 0.000 -0.000 10.753) 10.753 57.401 ( -0.000 0.000 -11.376) 11.376 ======================= Grid point 856 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( -18.977 -10.956 49.387) 54.030 4.994 ( 20.930 12.084 46.796) 52.668 6.389 ( 13.977 8.069 58.480) 60.666 7.702 ( -6.791 -3.921 -19.362) 20.889 7.996 ( 2.867 1.655 -15.955) 16.295 9.960 ( -2.966 -1.713 -18.284) 18.602 16.919 ( -5.784 -3.339 -0.569) 6.703 17.375 ( 8.916 5.147 0.062) 10.295 17.391 ( 3.624 2.092 -6.797) 7.981 17.629 ( 20.344 11.746 -1.151) 23.519 23.451 ( -29.556 -17.064 18.283) 38.717 24.906 ( -6.628 -3.827 -11.963) 14.202 27.947 ( -8.317 -4.802 24.159) 25.998 28.995 ( -0.404 -0.233 25.732) 25.737 29.456 ( 32.730 18.897 14.841) 40.603 30.387 ( -2.729 -1.576 -18.187) 18.458 31.304 ( -2.135 -1.233 -14.983) 15.185 31.410 ( 5.012 2.894 -13.549) 14.734 47.049 ( -9.584 -5.533 24.754) 27.115 47.836 ( 21.802 12.588 28.706) 38.181 50.371 ( -11.225 -6.481 -30.351) 33.003 50.898 ( 12.900 7.448 -21.497) 26.153 55.981 ( -5.673 -3.275 11.717) 13.424 57.296 ( -3.032 -1.751 -12.149) 12.643 ======================= Grid point 857 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( -10.916 -6.302 40.641) 42.550 5.741 ( 21.308 12.302 40.834) 47.674 7.058 ( 14.681 8.476 41.799) 45.106 7.431 ( -5.526 -3.190 -15.434) 16.701 7.889 ( -2.982 -1.722 -19.499) 19.801 9.781 ( -3.668 -2.117 -13.633) 14.276 16.881 ( 1.236 0.713 3.397) 3.684 17.440 ( 5.529 3.192 -12.151) 13.726 17.621 ( 11.711 6.762 3.527) 13.975 18.198 ( 30.485 17.601 -0.486) 35.205 22.862 ( -33.848 -19.542 30.174) 49.377 24.600 ( -13.526 -7.809 -14.120) 21.055 27.958 ( -4.115 -2.376 23.378) 23.856 29.105 ( -3.887 -2.244 22.774) 23.212 30.220 ( -1.455 -0.840 -16.525) 16.610 30.233 ( 29.263 16.895 5.117) 34.176 31.152 ( -2.923 -1.688 -15.791) 16.148 31.486 ( 8.328 4.808 -11.231) 14.785 47.092 ( -0.272 -0.157 25.314) 25.316 48.530 ( 23.763 13.720 30.243) 40.836 49.905 ( -12.454 -7.190 -35.139) 37.967 51.067 ( 11.648 6.725 -14.794) 19.994 55.925 ( -4.951 -2.858 11.465) 12.811 57.116 ( -6.030 -3.482 -13.363) 15.068 ======================= Grid point 858 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( -1.282 -0.740 26.711) 26.752 6.416 ( 17.728 10.235 31.747) 37.774 7.009 ( -9.461 -5.462 -26.801) 28.941 7.635 ( -7.072 -4.083 -22.150) 23.608 7.776 ( 15.047 8.687 41.065) 44.590 9.649 ( -2.798 -1.615 -5.372) 6.268 16.988 ( 4.811 2.778 6.485) 8.539 17.475 ( 5.157 2.977 -16.470) 17.513 17.920 ( 12.189 7.038 5.449) 15.093 18.962 ( 36.734 21.209 0.878) 42.426 22.359 ( -28.357 -16.372 35.012) 47.937 24.133 ( -19.546 -11.285 -16.818) 28.147 28.028 ( -2.333 -1.347 21.941) 22.106 29.062 ( -9.825 -5.672 12.508) 16.886 30.172 ( 4.111 2.373 -7.000) 8.457 30.777 ( 14.830 8.562 -1.432) 17.184 31.014 ( 2.429 1.402 -13.899) 14.179 31.635 ( 9.941 5.739 -7.833) 13.897 47.341 ( 8.038 4.641 26.881) 28.438 49.252 ( 23.975 13.842 29.631) 40.552 49.386 ( -13.605 -7.855 -38.970) 42.017 51.220 ( 7.446 4.299 -6.281) 10.648 55.921 ( -0.828 -0.478 9.118) 9.168 56.866 ( -8.443 -4.874 -15.005) 17.894 ======================= Grid point 859 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 7.904 4.564 11.433) 14.630 6.584 ( -12.705 -7.335 -29.506) 32.952 6.725 ( -4.483 -2.588 -4.417) 6.805 7.507 ( 7.991 4.614 3.802) 9.980 8.316 ( 12.369 7.141 33.332) 36.263 9.579 ( -3.329 -1.922 3.070) 4.920 17.128 ( 3.889 2.245 1.589) 4.764 17.477 ( 3.881 2.241 -12.858) 13.617 18.218 ( 10.687 6.170 6.967) 14.170 19.799 ( 35.531 20.514 2.221) 41.088 22.033 ( -19.067 -11.008 33.891) 40.415 23.534 ( -23.738 -13.705 -18.872) 33.279 28.112 ( -1.762 -1.018 20.154) 20.257 28.846 ( -12.734 -7.352 3.033) 15.013 30.304 ( 8.019 4.630 2.867) 9.694 30.744 ( -3.961 -2.287 -13.063) 13.841 31.248 ( 13.822 7.980 -3.186) 16.276 31.822 ( 9.810 5.664 -4.619) 12.234 47.763 ( 13.659 7.886 28.605) 32.665 48.827 ( -14.025 -8.098 -40.752) 43.852 49.948 ( 22.200 12.817 27.178) 37.360 51.311 ( 1.537 0.887 2.292) 2.899 56.001 ( 3.874 2.237 5.642) 7.201 56.562 ( -9.786 -5.650 -16.980) 20.396 ======================= Grid point 860 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.618 ( 15.783 9.112 -2.182) 18.354 6.086 ( -15.456 -8.924 -29.658) 34.614 6.302 ( -18.542 -10.705 -27.144) 34.572 7.916 ( 16.361 9.446 19.662) 27.267 8.733 ( 8.946 5.165 25.485) 27.499 9.514 ( -6.568 -3.792 9.988) 12.541 17.105 ( -1.213 -0.700 -19.260) 19.311 17.545 ( 3.610 2.084 7.301) 8.407 18.469 ( 7.163 4.135 8.478) 11.844 20.482 ( 20.142 11.629 6.657) 24.192 21.970 ( -0.882 -0.509 25.415) 25.435 22.859 ( -25.676 -14.824 -19.062) 35.248 28.191 ( -1.762 -1.018 17.983) 18.097 28.565 ( -12.551 -7.246 -0.221) 14.494 30.536 ( 9.358 5.403 7.368) 13.078 30.576 ( -3.549 -2.049 -12.435) 13.093 31.484 ( 9.000 5.196 -2.663) 10.728 32.006 ( 8.279 4.780 -2.432) 9.864 48.079 ( -7.300 -4.214 -17.874) 19.762 48.470 ( 9.811 5.664 7.882) 13.801 50.563 ( 18.599 10.738 23.306) 31.692 51.307 ( -5.366 -3.098 9.704) 11.513 56.157 ( 7.780 4.492 2.080) 9.221 56.228 ( -9.947 -5.743 -19.232) 22.401 ======================= Grid point 861 (251/288) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.982 ( 19.213 11.093 -13.044) 25.736 5.548 ( -15.469 -8.931 -27.418) 32.723 5.673 ( -21.507 -12.417 -28.621) 37.894 8.383 ( 14.519 8.382 17.616) 24.318 9.038 ( 6.491 3.747 18.832) 20.268 9.387 ( -12.058 -6.961 15.635) 20.935 16.889 ( -4.033 -2.328 -28.150) 28.532 17.679 ( 0.810 0.468 17.424) 17.450 18.627 ( 1.631 0.942 9.935) 10.112 20.714 ( -3.722 -2.149 14.542) 15.163 22.173 ( -25.347 -14.634 -16.730) 33.712 22.336 ( 21.568 12.453 10.797) 27.145 28.251 ( -2.090 -1.206 15.719) 15.903 28.295 ( -11.416 -6.591 0.044) 13.182 30.446 ( -1.600 -0.924 -10.833) 10.989 30.796 ( 9.316 5.378 8.423) 13.662 31.628 ( 5.418 3.128 -2.242) 6.646 32.153 ( 5.812 3.356 -1.627) 6.906 47.552 ( -15.593 -9.003 -38.764) 42.742 49.019 ( 19.145 11.053 33.003) 39.723 51.048 ( 12.036 6.949 17.209) 22.120 51.189 ( -11.081 -6.398 16.783) 21.104 55.887 ( -9.200 -5.312 -21.731) 24.188 56.366 ( 10.419 6.015 -1.084) 12.079 ======================= Grid point 870 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( 0.000 -14.215 48.535) 50.574 5.067 ( 0.000 1.327 47.003) 47.021 6.811 ( 0.000 24.119 53.506) 58.691 7.483 ( -0.000 -18.052 -21.917) 28.394 7.991 ( -0.000 13.155 -16.648) 21.218 9.848 ( -0.000 -1.450 -20.211) 20.263 16.834 ( 0.000 -14.134 -0.073) 14.135 17.418 ( -0.000 11.240 0.997) 11.284 17.420 ( -0.000 9.215 -5.868) 10.925 17.578 ( -0.000 23.589 -2.676) 23.740 23.562 ( 0.000 -29.141 17.059) 33.767 24.835 ( -0.000 -7.368 -12.557) 14.559 28.093 ( 0.000 -10.243 25.263) 27.260 29.137 ( 0.000 -1.101 25.783) 25.806 29.591 ( 0.000 36.100 17.716) 40.213 30.267 ( -0.000 -3.799 -19.534) 19.900 31.263 ( -0.000 0.821 -16.242) 16.263 31.269 ( -0.000 3.563 -15.332) 15.741 47.132 ( 0.000 -20.029 27.552) 34.062 48.079 ( 0.000 31.634 29.922) 43.544 50.260 ( -0.000 -5.029 -31.785) 32.180 50.713 ( -0.000 13.634 -25.030) 28.502 56.034 ( 0.000 -9.646 12.976) 16.169 57.221 ( -0.000 -3.460 -12.602) 13.068 ======================= Grid point 871 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.492 ( -17.240 -9.834 44.284) 48.528 5.599 ( 25.271 -4.850 42.961) 50.078 7.135 ( -0.698 -19.198 -23.945) 30.699 7.409 ( 4.781 22.815 40.761) 46.956 7.974 ( -6.400 14.910 -15.500) 22.439 9.707 ( -0.919 -0.660 -17.967) 18.003 16.761 ( 5.738 -11.386 3.280) 13.165 17.398 ( -3.145 8.689 -9.360) 13.153 17.678 ( 6.850 20.232 4.006) 21.732 17.959 ( 17.515 24.311 -3.209) 30.135 23.227 ( -17.519 -29.500 24.730) 42.293 24.601 ( -7.486 -11.171 -14.413) 19.712 28.132 ( -2.976 -6.034 25.165) 26.049 29.268 ( -1.734 -3.123 23.236) 23.509 30.070 ( 2.189 3.445 -10.822) 11.566 30.190 ( 11.469 24.534 3.558) 27.315 31.103 ( -4.309 0.665 -17.216) 17.760 31.321 ( 8.052 5.748 -13.960) 17.111 47.143 ( 3.262 -15.663 28.999) 33.120 48.668 ( 9.430 31.394 30.756) 44.949 49.888 ( -13.908 -0.548 -35.914) 38.517 50.830 ( 12.665 12.487 -21.983) 28.277 55.991 ( -1.972 -11.125 14.108) 18.075 57.072 ( -3.341 -5.091 -13.491) 14.801 ======================= Grid point 872 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -12.120 -6.075 34.738) 37.290 6.219 ( 24.883 -8.902 31.174) 40.869 6.777 ( 2.425 -21.256 -22.696) 31.190 7.677 ( -10.701 11.043 -14.470) 21.116 8.101 ( 0.781 25.639 28.882) 38.628 9.609 ( 0.511 0.210 -11.280) 11.294 16.843 ( 11.431 -9.198 7.490) 16.473 17.366 ( -1.050 6.727 -14.771) 16.265 18.033 ( 3.337 27.333 5.949) 28.172 18.589 ( 31.453 22.976 -2.084) 39.007 22.791 ( -21.797 -24.668 30.805) 45.084 24.193 ( -14.511 -14.504 -17.250) 26.804 28.191 ( -2.615 -3.316 23.783) 24.155 29.236 ( -9.309 -6.433 9.606) 14.843 30.037 ( 6.555 -1.421 -5.343) 8.575 30.722 ( 11.908 23.877 4.853) 27.119 30.929 ( -2.878 0.055 -17.342) 17.579 31.469 ( 10.594 7.358 -10.568) 16.675 47.318 ( 11.097 -10.569 30.851) 34.448 49.339 ( 11.441 27.602 26.544) 39.967 49.388 ( -16.717 2.501 -36.372) 40.108 51.049 ( 12.805 10.382 -15.602) 22.698 55.953 ( -0.335 -9.023 13.344) 16.112 56.847 ( -6.483 -6.255 -14.905) 17.416 ======================= Grid point 873 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -3.686 -1.865 21.789) 22.178 6.195 ( 0.735 -28.965 -25.924) 38.879 6.910 ( 11.201 2.189 17.244) 20.679 7.417 ( -8.094 4.996 -17.140) 19.603 8.561 ( 2.385 21.800 28.920) 36.295 9.586 ( 1.289 0.048 -3.112) 3.369 17.022 ( 10.954 -5.788 7.844) 14.663 17.310 ( 1.790 1.463 -16.253) 16.416 18.377 ( -0.075 29.411 6.695) 30.164 19.390 ( 37.405 21.836 -1.007) 43.324 22.422 ( -19.385 -19.405 32.703) 42.683 23.635 ( -19.712 -16.736 -19.877) 32.615 28.262 ( -2.392 -2.435 21.798) 22.064 28.993 ( -12.494 -7.495 -1.860) 14.688 30.186 ( 10.457 -0.388 6.015) 12.069 30.724 ( -5.084 -0.013 -15.803) 16.601 31.160 ( 10.198 17.338 0.986) 20.139 31.675 ( 11.150 7.536 -6.868) 15.109 47.681 ( 18.271 -6.648 33.084) 38.374 48.824 ( -19.655 0.919 -41.762) 46.166 50.009 ( 13.478 25.882 27.123) 39.840 51.246 ( 8.559 7.064 -7.704) 13.510 55.978 ( 2.996 -5.314 10.527) 12.167 56.557 ( -8.866 -6.521 -16.755) 20.047 ======================= Grid point 874 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.514 ( 5.449 2.707 8.108) 10.137 5.710 ( -2.331 -30.891 -28.919) 42.380 6.727 ( -29.476 16.367 -25.623) 42.347 7.670 ( 25.663 -6.954 21.301) 34.069 8.932 ( 0.991 16.798 21.802) 27.540 9.592 ( -0.748 -1.609 4.065) 4.435 17.044 ( -4.324 3.232 -18.243) 19.025 17.377 ( 14.470 -10.045 9.009) 19.785 18.672 ( -3.617 28.144 7.687) 29.398 20.192 ( 33.085 18.083 -0.179) 37.705 22.184 ( -11.396 -13.884 30.113) 35.063 22.985 ( -22.365 -17.663 -20.823) 35.296 28.325 ( -2.370 -2.532 19.388) 19.696 28.691 ( -12.049 -6.978 -4.430) 14.612 30.417 ( 11.207 -1.034 8.738) 14.249 30.552 ( -3.482 -0.162 -13.835) 14.268 31.446 ( 5.780 13.627 0.020) 14.802 31.891 ( 9.847 6.737 -3.963) 12.572 48.083 ( -1.938 -1.832 -2.410) 3.595 48.347 ( 5.211 -2.100 -4.080) 6.943 50.609 ( 11.992 21.460 22.943) 33.626 51.364 ( 2.100 2.756 0.383) 3.486 56.078 ( 6.467 -1.474 6.494) 9.282 56.226 ( -10.228 -5.592 -18.845) 22.159 ======================= Grid point 875 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.729 ( 12.858 5.599 -4.591) 14.757 5.196 ( -3.613 -27.867 -25.189) 37.737 6.169 ( -34.585 16.831 -29.489) 48.466 8.160 ( 23.933 -6.633 20.559) 32.241 9.191 ( 0.030 12.108 15.142) 19.387 9.558 ( -5.431 -4.463 10.037) 12.254 16.819 ( -7.850 2.291 -26.228) 27.473 17.601 ( 13.002 -10.781 17.545) 24.354 18.883 ( -8.162 24.525 8.938) 27.349 20.743 ( 12.687 7.673 5.019) 15.653 22.200 ( 6.333 -5.830 17.463) 19.469 22.317 ( -20.350 -15.591 -16.868) 30.688 28.366 ( -2.877 -3.581 15.601) 16.263 28.414 ( -10.217 -5.744 -1.916) 11.877 30.396 ( -2.141 -0.472 -12.439) 12.630 30.684 ( 12.172 -1.148 9.422) 15.436 31.629 ( 2.228 10.987 -0.377) 11.217 32.075 ( 7.183 5.371 -2.441) 9.295 47.579 ( -20.953 0.246 -38.808) 44.104 48.871 ( 27.173 -3.702 36.388) 45.565 51.091 ( 8.627 15.430 17.066) 24.572 51.368 ( -5.167 -1.673 8.260) 9.886 55.882 ( -10.804 -3.424 -20.975) 23.842 56.240 ( 9.303 1.696 2.204) 9.709 ======================= Grid point 885 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.862 ( 0.000 -10.886 43.649) 44.986 5.515 ( 0.000 -10.166 42.362) 43.565 6.736 ( -0.000 -26.228 -28.518) 38.745 7.827 ( 0.000 23.002 14.783) 27.343 8.152 ( -0.000 22.092 5.393) 22.741 9.595 ( -0.000 0.857 -19.553) 19.571 16.613 ( 0.000 -11.614 5.040) 12.661 17.569 ( -0.000 15.017 -9.400) 17.716 17.690 ( -0.000 14.880 2.426) 15.076 18.134 ( -0.000 35.016 -1.044) 35.031 23.213 ( 0.000 -32.065 25.172) 40.765 24.447 ( -0.000 -14.854 -15.912) 21.767 28.247 ( 0.000 -6.262 25.168) 25.935 29.386 ( 0.000 -4.250 19.285) 19.748 29.949 ( -0.000 -3.430 -16.142) 16.502 30.446 ( -0.000 32.290 10.900) 34.081 31.075 ( -0.000 2.108 -18.180) 18.302 31.199 ( -0.000 7.781 -14.043) 16.055 47.116 ( 0.000 -18.624 31.268) 36.395 49.121 ( 0.000 36.008 30.665) 47.296 49.820 ( -0.000 3.673 -38.079) 38.256 50.701 ( -0.000 16.201 -24.170) 29.097 55.968 ( 0.000 -14.876 16.553) 22.255 56.961 ( -0.000 -6.531 -13.843) 15.307 ======================= Grid point 886 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -17.523 -9.698 38.281) 43.203 5.895 ( 21.118 -14.318 31.631) 40.638 6.327 ( 5.367 -26.344 -22.903) 35.317 7.906 ( -9.467 16.295 -17.300) 25.582 8.524 ( 0.183 26.607 27.447) 38.227 9.510 ( 1.949 1.996 -16.431) 16.666 16.616 ( 8.036 -10.531 8.697) 15.846 17.486 ( -10.832 13.095 -11.693) 20.629 18.140 ( 22.131 20.179 3.730) 30.181 18.514 ( 4.319 36.513 -1.651) 36.805 22.978 ( -10.372 -29.025 28.014) 41.651 24.115 ( -7.799 -18.043 -18.626) 27.080 28.331 ( -1.304 -4.827 23.781) 24.301 29.342 ( -6.622 -7.935 0.727) 10.360 29.911 ( 4.609 -0.276 1.354) 4.812 30.838 ( 5.459 19.281 0.810) 20.056 30.932 ( -5.293 9.936 -11.492) 16.087 31.303 ( 9.662 8.864 -11.956) 17.744 47.205 ( 8.099 -16.770 33.310) 38.162 49.483 ( -15.880 7.356 -40.761) 44.359 49.695 ( 4.840 34.508 28.934) 45.292 50.837 ( 12.166 15.572 -21.483) 29.189 55.929 ( 0.424 -14.413 17.356) 22.564 56.776 ( -3.580 -7.346 -14.608) 16.738 ======================= Grid point 887 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( -13.548 -7.586 29.075) 32.961 5.751 ( -0.360 -27.730 -27.079) 38.760 6.598 ( 30.059 -13.099 31.777) 45.661 7.682 ( -19.569 16.200 -24.943) 35.603 8.923 ( -0.091 22.181 22.713) 31.748 9.506 ( 4.454 2.029 -9.581) 10.758 16.772 ( 14.014 -10.025 12.642) 21.371 17.344 ( -9.638 10.501 -16.754) 21.997 18.731 ( 8.339 31.735 9.557) 34.176 19.013 ( 24.734 26.615 -5.811) 36.795 22.683 ( -14.053 -24.702 29.823) 41.196 23.619 ( -14.254 -19.967 -21.543) 32.649 28.400 ( -1.819 -4.279 21.478) 21.976 29.079 ( -10.193 -7.911 -9.549) 16.051 30.068 ( 8.178 -0.585 11.438) 14.073 30.716 ( -5.688 1.601 -18.041) 18.984 31.239 ( 5.840 21.398 4.977) 22.732 31.514 ( 11.777 9.189 -8.490) 17.182 47.478 ( 17.135 -14.363 35.631) 42.065 48.975 ( -22.435 8.759 -42.767) 49.082 50.284 ( 6.995 30.495 25.815) 40.562 51.084 ( 12.999 12.876 -15.818) 24.187 55.929 ( 2.606 -11.254 15.740) 19.524 56.525 ( -6.792 -6.953 -15.726) 18.487 ======================= Grid point 888 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.587 ( -5.396 -4.065 17.507) 18.765 5.296 ( -2.033 -25.913 -26.961) 37.450 7.125 ( 7.729 0.038 14.362) 16.310 7.336 ( -4.775 5.038 -13.275) 14.980 9.217 ( -1.138 16.301 15.684) 22.650 9.561 ( 4.205 0.632 -2.372) 4.869 17.016 ( 12.914 -7.129 12.735) 19.487 17.162 ( -6.309 5.042 -17.857) 19.599 19.129 ( -5.253 36.990 8.562) 38.330 19.753 ( 37.297 18.460 -4.484) 41.856 22.410 ( -13.040 -21.122 29.411) 38.487 23.008 ( -18.176 -20.416 -23.101) 35.788 28.446 ( -2.097 -4.727 18.644) 19.348 28.770 ( -10.293 -6.806 -10.139) 15.971 30.285 ( 9.750 -1.874 12.806) 16.204 30.533 ( -5.038 1.423 -16.349) 17.166 31.530 ( 3.699 17.019 2.899) 17.656 31.756 ( 11.479 8.295 -5.167) 15.075 47.923 ( 23.417 -12.225 37.134) 45.571 48.401 ( -23.638 8.294 -41.939) 48.851 50.816 ( 7.111 24.452 20.871) 32.925 51.301 ( 8.688 8.677 -8.567) 14.973 55.993 ( 5.380 -6.994 12.024) 14.914 56.230 ( -9.201 -4.862 -16.903) 19.850 ======================= Grid point 889 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.619 ( 2.991 -0.442 4.516) 5.434 4.878 ( -2.796 -19.540 -20.259) 28.285 6.734 ( -32.894 18.968 -29.117) 47.850 7.759 ( 28.503 -12.313 24.473) 39.534 9.395 ( -1.785 10.297 9.026) 13.809 9.607 ( 0.829 -1.924 3.873) 4.403 16.881 ( -12.073 6.870 -22.951) 26.827 17.336 ( 17.173 -10.817 17.738) 26.954 19.397 ( -10.607 34.772 8.768) 37.396 20.475 ( 30.687 13.177 -3.979) 33.632 22.220 ( -6.185 -17.793 24.395) 30.821 22.358 ( -18.348 -19.153 -20.884) 33.758 28.461 ( -3.358 -5.821 12.528) 14.216 28.494 ( -7.955 -5.742 -4.376) 10.742 30.369 ( -3.697 1.518 -12.921) 13.525 30.520 ( 10.973 -3.201 10.519) 15.534 31.733 ( 1.049 13.861 1.678) 14.001 31.981 ( 9.169 6.815 -2.961) 11.802 47.782 ( -25.710 8.858 -38.553) 47.179 48.525 ( 30.099 -12.576 37.844) 49.963 51.232 ( 5.332 16.369 13.828) 22.081 51.426 ( 2.266 3.694 -0.310) 4.344 55.925 ( -10.825 -0.867 -17.685) 20.753 56.117 ( 7.944 -2.859 7.102) 11.033 ======================= Grid point 900 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.146 ( 0.000 -11.390 35.666) 37.440 5.739 ( 0.000 -16.097 36.821) 40.185 5.843 ( -0.000 -26.796 -27.915) 38.695 8.046 ( -0.000 16.839 -18.222) 24.811 8.926 ( 0.000 23.698 22.892) 32.949 9.405 ( -0.000 3.397 -18.664) 18.970 16.511 ( 0.000 -9.368 11.592) 14.904 17.739 ( -0.000 15.858 -13.131) 20.589 18.032 ( -0.000 17.238 1.263) 17.284 18.889 ( -0.000 41.516 2.015) 41.564 22.945 ( 0.000 -28.990 27.261) 39.794 23.870 ( -0.000 -21.003 -21.094) 29.767 28.432 ( 0.000 -5.390 22.103) 22.751 29.277 ( -0.000 -9.122 -12.836) 15.748 29.923 ( 0.000 1.007 13.093) 13.132 30.856 ( -0.000 4.589 -16.252) 16.887 31.153 ( -0.000 23.768 4.798) 24.248 31.222 ( -0.000 9.927 -10.545) 14.483 47.172 ( 0.000 -17.619 35.166) 39.333 49.469 ( -0.000 11.186 -42.860) 44.296 50.161 ( 0.000 33.192 26.736) 42.621 50.752 ( -0.000 18.494 -22.603) 29.205 55.887 ( 0.000 -16.029 19.911) 25.561 56.644 ( -0.000 -7.655 -14.353) 16.267 ======================= Grid point 901 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.028 ( -16.679 -12.513 29.121) 35.816 5.366 ( -4.396 -23.107 -22.928) 32.847 6.141 ( 29.380 -16.666 33.116) 47.304 7.986 ( -12.805 17.311 -21.113) 30.156 9.248 ( -0.540 18.491 16.220) 24.603 9.374 ( 4.878 3.836 -15.516) 16.711 16.575 ( 7.958 -8.697 15.161) 19.205 17.593 ( -16.123 13.732 -14.344) 25.578 18.523 ( 29.043 17.469 -0.895) 33.903 19.301 ( -1.728 42.256 2.868) 42.388 22.779 ( -6.632 -26.867 27.195) 38.800 23.457 ( -7.395 -22.395 -23.893) 33.572 28.497 ( -0.787 -6.037 19.215) 20.157 29.049 ( -5.045 -8.090 -17.111) 19.588 30.056 ( 3.443 0.109 16.657) 17.009 30.735 ( -5.863 4.384 -17.707) 19.161 31.349 ( 8.578 11.182 -5.452) 15.111 31.432 ( 3.318 19.318 2.969) 19.825 47.310 ( 10.195 -16.905 37.019) 41.954 49.171 ( -17.061 13.935 -43.759) 48.991 50.639 ( 3.157 27.976 22.020) 35.742 50.906 ( 10.906 17.857 -19.791) 28.801 55.874 ( 1.755 -14.518 19.973) 24.754 56.456 ( -3.669 -6.482 -14.147) 15.988 ======================= Grid point 902 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -13.141 -10.935 22.584) 28.324 4.967 ( -3.433 -17.252 -20.739) 27.194 6.707 ( 32.321 -16.458 31.743) 48.198 7.707 ( -23.155 18.238 -25.589) 39.032 9.442 ( 7.467 2.992 -8.828) 11.943 9.458 ( -1.507 12.134 8.982) 15.172 16.779 ( 13.610 -8.608 18.250) 24.340 17.348 ( -15.744 11.396 -17.843) 26.384 19.234 ( 36.216 15.612 -2.071) 39.492 19.672 ( -4.568 40.785 3.492) 41.188 22.552 ( -9.697 -24.822 26.634) 37.677 22.915 ( -12.907 -21.841 -25.592) 36.036 28.523 ( -1.204 -7.197 15.712) 17.324 28.771 ( -6.881 -6.570 -15.819) 18.460 30.227 ( 5.597 -1.446 15.833) 16.856 30.563 ( -7.028 4.659 -16.082) 18.158 31.602 ( 11.970 9.512 -3.849) 15.766 31.673 ( 2.557 16.170 2.844) 16.616 47.637 ( 20.002 -16.317 38.802) 46.604 48.682 ( -25.218 15.194 -42.946) 52.069 51.059 ( 5.045 20.107 15.145) 25.674 51.159 ( 11.278 14.766 -14.058) 23.299 55.913 ( 4.151 -11.071 17.365) 21.008 56.232 ( -6.831 -3.239 -13.720) 15.665 ======================= Grid point 903 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.675 ( -2.944 -8.800 -14.350) 17.089 4.675 ( -6.149 -6.950 14.350) 17.089 7.274 ( -28.522 18.677 -29.270) 44.934 7.274 ( 30.435 -15.362 29.270) 44.934 9.546 ( 6.079 0.797 -2.569) 6.647 9.546 ( -2.349 5.663 2.569) 6.647 17.068 ( -15.545 9.568 -20.408) 27.381 17.068 ( 16.059 -8.678 20.408) 27.381 19.974 ( 30.266 15.817 -10.897) 35.846 19.974 ( -1.436 34.120 10.897) 35.846 22.312 ( -15.715 -19.678 -24.852) 35.380 22.312 ( -9.184 -23.448 24.852) 35.380 28.510 ( -6.829 -5.362 -12.239) 15.006 28.510 ( -1.229 -8.595 12.239) 15.006 30.404 ( -6.194 4.746 -13.598) 15.678 30.404 ( 7.207 -2.991 13.598) 15.678 31.863 ( 10.503 7.912 -3.073) 13.504 31.863 ( 1.600 13.052 3.073) 13.504 48.123 ( -27.712 15.373 -40.208) 51.195 48.123 ( 27.170 -16.313 40.208) 51.195 51.367 ( 7.829 9.059 -8.797) 14.857 51.367 ( 3.931 11.310 8.797) 14.857 56.008 ( -9.221 2.123 -12.713) 15.848 56.008 ( 6.449 -6.924 12.713) 15.848 ======================= Grid point 916 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( -0.000 -16.850 -18.072) 24.708 5.450 ( 0.000 -13.086 28.278) 31.159 5.809 ( 0.000 -19.671 32.122) 37.667 8.151 ( -0.000 17.412 -18.610) 25.485 9.260 ( -0.000 4.937 -18.522) 19.169 9.486 ( 0.000 12.987 9.361) 16.009 16.532 ( 0.000 -7.530 18.535) 20.006 17.839 ( -0.000 12.788 -16.558) 20.922 18.360 ( -0.000 15.844 -1.150) 15.886 19.753 ( -0.000 42.480 3.707) 42.641 22.730 ( 0.000 -26.988 25.255) 36.962 23.144 ( -0.000 -22.689 -26.239) 34.688 28.543 ( 0.000 -7.732 15.546) 17.363 28.897 ( -0.000 -7.302 -20.061) 21.348 30.138 ( 0.000 -0.235 17.882) 17.883 30.744 ( -0.000 6.547 -16.603) 17.848 31.320 ( -0.000 10.245 -5.730) 11.739 31.624 ( -0.000 17.437 4.933) 18.121 47.284 ( 0.000 -17.356 38.156) 41.918 49.208 ( -0.000 16.946 -44.215) 47.351 50.830 ( -0.000 18.643 -17.092) 25.292 51.012 ( 0.000 22.913 13.193) 26.439 55.842 ( 0.000 -14.956 21.998) 26.600 56.352 ( -0.000 -4.428 -12.154) 12.936 ======================= Grid point 917 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( -0.791 -7.851 -14.043) 16.108 5.187 ( -22.098 -14.578 27.064) 37.859 6.191 ( 30.828 -19.004 31.269) 47.846 8.070 ( -15.326 17.781 -20.895) 31.427 9.271 ( 7.713 4.927 -15.277) 17.808 9.608 ( -1.085 6.514 2.504) 7.063 16.648 ( 7.163 -7.032 21.493) 23.722 17.647 ( -17.678 10.967 -16.745) 26.705 18.786 ( 28.591 12.782 -4.744) 31.675 20.154 ( -2.424 39.316 3.646) 39.559 22.577 ( -4.762 -26.582 23.626) 35.881 22.713 ( -6.748 -19.804 -27.182) 34.302 28.538 ( -0.423 -9.439 11.313) 14.740 28.684 ( -2.905 -5.920 -19.005) 20.116 30.253 ( 1.877 -1.284 16.394) 16.551 30.653 ( -6.844 7.710 -14.297) 17.626 31.479 ( 9.426 9.488 -3.377) 13.793 31.816 ( 1.156 14.101 3.920) 14.681 47.445 ( 11.006 -17.430 39.075) 44.179 48.960 ( -17.374 18.912 -42.521) 49.675 50.991 ( 10.219 16.944 -17.887) 26.674 51.279 ( 1.553 14.074 8.548) 16.540 55.858 ( 2.355 -13.091 21.188) 25.017 56.230 ( -3.531 -0.323 -9.766) 10.390 ======================= Grid point 933 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( -0.000 4.051 -5.648) 6.951 5.539 ( 0.000 -16.016 29.625) 33.677 5.776 ( 0.000 -22.193 29.324) 36.775 8.267 ( -0.000 17.438 -17.889) 24.982 9.139 ( -0.000 6.021 -18.782) 19.724 9.645 ( -0.000 -0.062 -4.015) 4.016 16.666 ( 0.000 -6.038 24.616) 25.346 17.821 ( -0.000 7.485 -18.623) 20.071 18.589 ( -0.000 10.637 -4.727) 11.640 20.533 ( -0.000 30.842 0.466) 30.846 22.447 ( -0.000 -11.443 -25.968) 28.378 22.491 ( 0.000 -27.426 21.167) 34.644 28.496 ( 0.000 -11.182 6.880) 13.129 28.536 ( -0.000 -4.811 -19.190) 19.784 30.323 ( 0.000 -1.583 15.011) 15.094 30.723 ( -0.000 9.503 -12.430) 15.646 31.469 ( -0.000 8.911 -0.901) 8.957 31.951 ( -0.000 11.300 3.282) 11.767 47.420 ( 0.000 -17.700 39.325) 43.125 49.053 ( -0.000 20.771 -40.780) 45.765 50.954 ( -0.000 17.768 -18.993) 26.009 51.387 ( -0.000 4.424 0.577) 4.461 55.844 ( 0.000 -12.966 22.519) 25.985 56.229 ( -0.000 3.962 -5.671) 6.918 ======================= Grid point 1070 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( 0.000 -0.000 46.217) 46.217 5.150 ( 0.000 -0.000 46.217) 46.217 6.923 ( 0.000 -0.000 55.328) 55.328 7.638 ( -0.000 0.000 -20.984) 20.984 7.638 ( -0.000 0.000 -20.984) 20.984 9.724 ( -0.000 0.000 -23.809) 23.809 17.116 ( 0.000 0.000 -0.662) 0.662 17.116 ( -0.000 -0.000 -0.662) 0.662 17.333 ( -0.000 0.000 -3.331) 3.331 17.333 ( -0.000 0.000 -3.331) 3.331 23.931 ( 0.000 -0.000 10.056) 10.056 24.834 ( -0.000 0.000 -12.311) 12.311 28.398 ( 0.000 -0.000 24.452) 24.452 29.320 ( 0.000 -0.000 27.286) 27.286 29.320 ( 0.000 -0.000 27.286) 27.286 30.183 ( -0.000 0.000 -20.640) 20.640 31.136 ( -0.000 0.000 -18.225) 18.225 31.136 ( -0.000 0.000 -18.225) 18.225 47.731 ( 0.000 -0.000 31.004) 31.004 47.731 ( 0.000 -0.000 31.004) 31.004 50.265 ( -0.000 0.000 -30.744) 30.744 50.265 ( -0.000 0.000 -30.744) 30.744 56.201 ( 0.000 -0.000 12.287) 12.287 57.178 ( -0.000 0.000 -12.792) 12.792 ======================= Grid point 1071 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( -21.079 -12.170 45.159) 51.300 5.806 ( 17.960 10.369 41.627) 46.507 7.230 ( -6.843 -3.951 -6.751) 10.393 7.445 ( 8.273 4.776 31.120) 32.553 7.646 ( 2.534 1.463 -22.287) 22.478 9.580 ( 0.668 0.385 -23.279) 23.292 16.940 ( -3.424 -1.977 2.944) 4.929 17.256 ( -0.276 -0.159 -7.899) 7.906 17.379 ( 11.646 6.724 0.614) 13.461 17.601 ( 20.478 11.823 -1.920) 23.724 23.762 ( -19.516 -11.267 16.008) 27.642 24.671 ( -7.718 -4.456 -13.532) 16.204 28.416 ( -8.301 -4.793 26.623) 28.296 29.471 ( -2.727 -1.574 24.611) 24.812 29.783 ( 22.304 12.877 20.128) 32.687 30.032 ( -1.074 -0.620 -19.224) 19.264 30.988 ( -1.748 -1.009 -19.475) 19.579 31.123 ( 7.623 4.401 -17.687) 19.756 47.576 ( -10.905 -6.296 32.344) 34.709 48.397 ( 21.993 12.698 32.276) 41.069 49.763 ( -13.736 -7.930 -35.640) 39.010 50.441 ( 18.255 10.540 -27.912) 34.977 56.212 ( -5.253 -3.033 13.287) 14.606 57.060 ( -3.479 -2.009 -13.446) 14.033 ======================= Grid point 1072 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.801 ( -18.639 -10.761 39.723) 45.178 6.437 ( 16.550 9.555 34.576) 39.506 6.886 ( -9.664 -5.579 -28.082) 30.218 7.477 ( -4.059 -2.344 -24.940) 25.376 7.964 ( 12.686 7.324 40.935) 43.477 9.497 ( 3.426 1.978 -17.604) 18.043 16.975 ( 2.891 1.669 6.067) 6.925 17.217 ( 2.335 1.348 -11.368) 11.684 17.672 ( 13.482 7.784 2.240) 15.728 18.180 ( 31.496 18.184 -1.402) 36.395 23.358 ( -25.871 -14.937 24.458) 38.608 24.320 ( -15.331 -8.851 -16.394) 24.128 28.418 ( -5.993 -3.460 26.331) 27.225 29.404 ( -10.959 -6.327 2.999) 13.005 30.014 ( 5.274 3.045 0.573) 6.117 30.393 ( 21.740 12.551 11.690) 27.691 30.823 ( -1.970 -1.138 -19.924) 20.053 31.252 ( 12.146 7.013 -14.082) 19.875 47.643 ( -1.288 -0.744 34.331) 34.364 49.098 ( 22.848 13.191 31.409) 41.019 49.218 ( -14.396 -8.311 -39.406) 42.768 50.714 ( 19.438 11.222 -23.171) 32.259 56.161 ( -6.160 -3.556 13.959) 15.666 56.857 ( -6.931 -4.002 -14.835) 16.856 ======================= Grid point 1073 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.657 ( -12.996 -7.503 30.128) 33.658 6.475 ( -10.823 -6.248 -31.027) 33.449 6.779 ( -4.078 -2.355 -2.802) 5.480 7.355 ( 9.060 5.231 2.435) 10.741 8.462 ( 11.021 6.363 33.410) 35.751 9.516 ( 5.260 3.037 -9.596) 11.357 17.027 ( 0.198 0.114 -9.161) 9.164 17.292 ( 7.888 4.554 3.436) 9.735 17.997 ( 13.801 7.968 3.012) 16.218 18.959 ( 37.698 21.765 -1.096) 43.544 22.949 ( -24.806 -14.322 29.510) 41.126 23.797 ( -21.030 -12.142 -19.780) 31.320 28.458 ( -4.606 -2.659 24.491) 25.062 29.107 ( -12.467 -7.198 -8.428) 16.682 30.207 ( 7.440 4.295 11.395) 14.270 30.632 ( -2.425 -1.400 -17.149) 17.376 30.900 ( 16.740 9.665 4.022) 19.744 31.474 ( 13.624 7.866 -9.546) 18.401 47.930 ( 7.032 4.060 36.469) 37.362 48.643 ( -14.511 -8.378 -41.237) 44.512 49.789 ( 22.122 12.772 28.688) 38.413 51.004 ( 16.854 9.730 -16.696) 25.642 56.126 ( -3.989 -2.303 12.886) 13.685 56.572 ( -9.641 -5.566 -16.975) 20.300 ======================= Grid point 1074 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.598 ( -5.220 -3.014 18.173) 19.147 6.023 ( -12.420 -7.171 -31.515) 34.625 6.369 ( -17.187 -9.923 -27.895) 34.235 7.787 ( 16.812 9.706 20.300) 28.088 8.857 ( 8.033 4.638 25.655) 27.280 9.590 ( 4.016 2.318 -2.225) 5.143 16.898 ( -2.894 -1.671 -20.236) 20.510 17.547 ( 8.714 5.031 14.003) 17.243 18.315 ( 12.519 7.228 3.792) 14.945 19.803 ( 37.079 21.408 -1.491) 42.841 22.625 ( -20.147 -11.632 30.382) 38.266 23.161 ( -23.806 -13.744 -21.855) 35.118 28.503 ( -4.193 -2.421 21.985) 22.512 28.782 ( -11.288 -6.517 -9.382) 16.060 30.459 ( 8.105 4.680 13.255) 16.226 30.466 ( -2.488 -1.437 -17.033) 17.273 31.242 ( 11.875 6.856 2.362) 13.914 31.725 ( 12.555 7.248 -5.687) 15.572 48.005 ( -14.736 -8.508 -36.132) 39.938 48.451 ( 13.507 7.798 33.656) 37.094 50.424 ( 19.643 11.341 24.519) 33.401 51.245 ( 11.308 6.529 -9.041) 15.882 56.146 ( -0.398 -0.230 9.923) 9.933 56.226 ( -11.089 -6.403 -19.650) 23.454 ======================= Grid point 1085 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.379 ( 0.000 -14.620 43.426) 45.821 5.878 ( 0.000 1.066 41.375) 41.389 7.026 ( -0.000 -21.093 -27.956) 35.021 7.547 ( -0.000 10.946 -5.783) 12.380 7.798 ( 0.000 20.761 27.970) 34.833 9.428 ( -0.000 1.782 -25.822) 25.884 16.868 ( 0.000 -12.017 3.727) 12.581 17.296 ( -0.000 6.649 -7.458) 9.991 17.435 ( -0.000 13.350 0.788) 13.373 17.534 ( -0.000 23.952 -1.939) 24.030 23.859 ( 0.000 -19.782 15.589) 25.187 24.591 ( -0.000 -8.929 -13.977) 16.585 28.575 ( 0.000 -9.879 26.924) 28.680 29.596 ( 0.000 -4.909 20.052) 20.644 29.901 ( -0.000 -1.519 -16.317) 16.387 29.957 ( 0.000 25.800 21.625) 33.664 30.922 ( -0.000 1.499 -20.811) 20.865 30.952 ( -0.000 6.501 -19.018) 20.099 47.702 ( 0.000 -20.959 34.264) 40.166 48.660 ( 0.000 31.036 33.030) 45.324 49.626 ( -0.000 -7.579 -36.915) 37.685 50.207 ( -0.000 17.537 -29.964) 34.718 56.283 ( 0.000 -7.617 13.989) 15.929 56.979 ( -0.000 -3.870 -13.665) 14.202 ======================= Grid point 1086 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.274 ( -20.419 -12.565 40.750) 47.280 6.314 ( 18.081 -7.987 30.506) 36.350 6.643 ( 3.139 -19.996 -24.088) 31.463 7.499 ( -8.384 12.402 -23.307) 27.701 8.240 ( 2.672 20.727 35.792) 41.447 9.332 ( 4.028 3.686 -23.184) 23.818 16.860 ( 7.669 -9.299 7.353) 14.120 17.212 ( -7.197 7.167 -10.554) 14.648 17.750 ( 8.142 23.658 3.929) 25.326 17.894 ( 18.296 22.619 -3.758) 29.334 23.641 ( -12.797 -22.257 20.759) 33.016 24.318 ( -8.601 -13.424 -16.445) 22.905 28.613 ( -3.641 -7.682 26.830) 28.145 29.480 ( -7.993 -8.701 -10.416) 15.751 29.948 ( 6.332 0.417 12.487) 14.007 30.415 ( 9.030 24.552 15.495) 30.404 30.749 ( -4.194 1.914 -21.143) 21.640 31.038 ( 10.782 9.115 -16.567) 21.767 47.746 ( 3.151 -16.344 36.252) 39.890 49.188 ( -14.885 -2.240 -38.952) 41.759 49.247 ( 8.557 29.476 31.160) 43.737 50.371 ( 17.005 16.567 -27.702) 36.484 56.261 ( -2.749 -9.193 15.141) 17.925 56.814 ( -4.005 -5.594 -14.582) 16.123 ======================= Grid point 1087 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.045 ( -19.673 -11.172 34.679) 41.407 6.118 ( 0.127 -27.280 -30.222) 40.714 6.927 ( 13.877 1.628 23.341) 27.203 7.260 ( -8.925 7.929 -22.369) 25.355 8.680 ( 2.885 17.849 29.468) 34.573 9.359 ( 8.217 4.912 -16.325) 18.925 16.998 ( 5.589 -2.760 4.799) 7.867 17.112 ( 2.567 0.210 -8.441) 8.825 18.124 ( 1.958 31.505 3.928) 31.809 18.544 ( 34.221 20.783 -2.588) 40.122 23.308 ( -17.663 -20.997 25.764) 37.638 23.850 ( -15.854 -16.661 -20.204) 30.613 28.644 ( -3.862 -5.815 25.088) 26.041 29.153 ( -10.125 -7.677 -16.262) 20.638 30.168 ( 8.156 -0.564 17.258) 19.097 30.569 ( -3.678 1.198 -20.749) 21.107 30.870 ( 9.338 20.096 9.883) 24.264 31.261 ( 14.081 10.334 -11.851) 21.107 47.962 ( 11.194 -11.163 38.653) 41.761 48.634 ( -18.884 -0.413 -41.614) 45.700 49.884 ( 11.459 26.720 29.038) 41.091 50.688 ( 19.741 15.133 -23.174) 33.996 56.218 ( -2.813 -8.343 15.196) 17.563 56.559 ( -7.815 -6.615 -16.352) 19.293 ======================= Grid point 1088 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( -14.303 -8.464 25.509) 30.445 5.653 ( -0.465 -28.337 -31.171) 42.129 6.723 ( -28.072 16.450 -28.542) 43.282 7.569 ( 25.333 -5.115 23.189) 34.723 9.030 ( 1.678 13.658 22.105) 26.039 9.478 ( 8.942 4.406 -8.958) 13.402 16.885 ( -8.033 4.302 -17.609) 19.827 17.331 ( 18.621 -9.098 13.209) 24.576 18.476 ( -0.305 32.669 4.081) 32.925 19.354 ( 38.612 20.542 -2.684) 43.818 22.980 ( -17.660 -18.648 28.174) 38.124 23.240 ( -19.979 -17.923 -23.267) 35.521 28.672 ( -3.803 -5.307 22.304) 23.240 28.821 ( -9.468 -6.272 -15.052) 18.856 30.390 ( 0.251 -0.060 -8.246) 8.250 30.419 ( 5.868 -0.286 5.735) 8.210 31.228 ( 6.656 15.930 5.856) 18.231 31.543 ( 14.130 9.725 -7.202) 18.603 48.030 ( -20.192 0.192 -38.742) 43.688 48.391 ( 19.133 -7.319 38.205) 43.350 50.485 ( 11.475 22.749 24.480) 35.334 51.014 ( 17.114 12.418 -16.897) 27.067 56.201 ( -1.118 -6.076 13.345) 14.706 56.231 ( -10.714 -6.364 -18.696) 22.469 ======================= Grid point 1101 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.615 ( 0.000 -13.702 37.210) 39.653 6.178 ( -0.000 -26.029 -31.140) 40.586 6.244 ( 0.000 -11.483 36.888) 38.634 7.593 ( -0.000 16.823 -22.715) 28.266 8.635 ( 0.000 21.769 29.826) 36.925 9.182 ( -0.000 5.417 -25.691) 26.256 16.748 ( 0.000 -8.569 9.397) 12.717 17.378 ( -0.000 12.668 -10.988) 16.769 17.715 ( -0.000 15.676 0.310) 15.679 18.129 ( -0.000 36.475 0.571) 36.480 23.635 ( 0.000 -25.415 21.231) 33.116 24.133 ( -0.000 -18.099 -18.364) 25.784 28.721 ( 0.000 -8.920 25.884) 27.377 29.356 ( -0.000 -9.542 -20.706) 22.799 30.009 ( 0.000 0.725 20.716) 20.729 30.643 ( -0.000 12.822 -2.787) 13.121 30.747 ( -0.000 15.647 -4.446) 16.266 30.926 ( -0.000 12.241 -15.522) 19.768 47.754 ( 0.000 -19.195 37.742) 42.343 49.085 ( -0.000 1.345 -41.309) 41.331 49.688 ( 0.000 33.128 30.803) 45.236 50.217 ( -0.000 20.328 -28.311) 34.853 56.274 ( 0.000 -11.928 16.627) 20.463 56.698 ( -0.000 -6.896 -14.659) 16.200 ======================= Grid point 1102 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.483 ( -17.428 -15.186 30.680) 38.414 5.683 ( -5.258 -24.830 -26.934) 37.008 6.635 ( 26.432 -12.777 32.411) 43.730 7.499 ( -14.126 17.984 -25.275) 34.085 9.000 ( 0.351 18.591 22.955) 29.541 9.155 ( 7.648 6.662 -22.448) 24.633 16.816 ( 8.917 -7.433 12.709) 17.213 17.259 ( -13.897 11.567 -12.556) 22.013 18.169 ( 27.724 18.187 -0.629) 33.162 18.507 ( -0.212 39.649 1.070) 39.664 23.449 ( -8.206 -25.101 23.582) 35.405 23.744 ( -8.471 -21.338 -21.936) 31.753 28.771 ( -1.707 -8.535 23.486) 25.047 29.087 ( -5.061 -8.207 -22.089) 24.101 30.176 ( 3.877 -0.594 20.974) 21.338 30.536 ( -4.688 3.900 -20.829) 21.703 31.042 ( 4.407 20.709 8.484) 22.809 31.082 ( 10.102 14.463 -9.674) 20.120 47.880 ( 8.516 -17.367 39.568) 44.043 48.713 ( -15.934 5.565 -42.202) 45.452 50.217 ( 4.250 30.358 27.316) 41.059 50.396 ( 15.318 19.958 -26.140) 36.280 56.249 ( -1.092 -12.018 17.360) 21.142 56.500 ( -4.468 -7.214 -15.356) 17.545 ======================= Grid point 1103 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.211 ( -0.762 -24.055 -30.271) 38.672 5.211 ( -20.451 -12.687 30.271) 38.672 7.176 ( -23.341 18.076 -29.950) 42.054 7.176 ( 27.325 -11.176 29.950) 42.054 9.276 ( 11.987 6.484 -15.758) 20.834 9.276 ( -0.378 13.623 15.758) 20.834 17.039 ( -13.324 8.996 -16.030) 22.703 17.039 ( 14.453 -7.041 16.030) 22.703 18.889 ( 26.606 23.960 -7.654) 36.613 18.889 ( 7.447 35.021 7.654) 36.613 23.188 ( -14.409 -22.155 -25.421) 36.670 23.188 ( -11.983 -23.556 25.421) 36.670 28.787 ( -6.336 -6.266 -19.928) 21.829 28.787 ( -2.258 -8.620 19.928) 21.829 30.370 ( -4.852 4.079 -19.022) 20.051 30.370 ( 5.958 -2.163 19.022) 20.051 31.361 ( 14.016 12.240 -7.851) 20.197 31.361 ( 3.592 18.258 7.851) 20.197 48.194 ( -22.041 7.852 -41.656) 47.778 48.194 ( 17.820 -15.162 41.656) 47.778 50.729 ( 18.918 17.600 -22.301) 34.132 50.729 ( 5.783 25.183 22.301) 34.132 56.228 ( -8.546 -5.747 -16.482) 19.435 56.228 ( -0.704 -10.275 16.482) 19.435 ======================= Grid point 1117 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.210 ( -0.000 -23.540 -28.590) 37.034 5.883 ( 0.000 -12.247 32.301) 34.545 6.373 ( 0.000 -17.473 31.579) 36.091 7.669 ( -0.000 19.151 -22.050) 29.206 9.001 ( -0.000 7.929 -25.532) 26.735 9.284 ( 0.000 15.164 15.979) 22.029 16.764 ( 0.000 -5.591 15.394) 16.378 17.487 ( -0.000 13.357 -13.615) 19.072 18.033 ( -0.000 16.854 -1.002) 16.884 18.928 ( -0.000 43.186 2.075) 43.236 23.405 ( 0.000 -26.417 23.101) 35.093 23.448 ( -0.000 -24.456 -25.023) 34.989 28.826 ( 0.000 -10.168 19.873) 22.323 28.907 ( -0.000 -7.608 -23.775) 24.963 30.269 ( 0.000 -0.977 20.958) 20.981 30.512 ( -0.000 5.911 -19.443) 20.322 31.035 ( -0.000 14.484 -9.405) 17.270 31.296 ( -0.000 20.317 9.399) 22.386 47.872 ( 0.000 -18.235 40.205) 44.147 48.678 ( -0.000 9.743 -42.272) 43.380 50.295 ( -0.000 22.166 -26.039) 34.196 50.632 ( 0.000 27.679 23.129) 36.070 56.244 ( 0.000 -13.239 18.767) 22.966 56.379 ( -0.000 -6.634 -14.366) 15.824 ======================= Grid point 1288 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.945 ( 0.000 -0.000 40.453) 40.453 5.945 ( 0.000 -0.000 40.453) 40.453 7.195 ( -0.000 0.000 -27.454) 27.454 7.195 ( -0.000 0.000 -27.454) 27.454 7.851 ( 0.000 -0.000 45.962) 45.962 9.232 ( -0.000 0.000 -30.068) 30.068 17.129 ( 0.000 0.000 2.062) 2.062 17.129 ( -0.000 -0.000 2.062) 2.062 17.262 ( -0.000 0.000 -4.226) 4.226 17.262 ( -0.000 -0.000 -4.226) 4.226 24.133 ( 0.000 -0.000 11.890) 11.890 24.601 ( -0.000 0.000 -13.023) 13.023 28.859 ( 0.000 -0.000 25.580) 25.580 29.777 ( -0.000 0.000 -23.525) 23.525 29.825 ( 0.000 -0.000 27.484) 27.484 29.825 ( 0.000 -0.000 27.484) 27.484 30.761 ( -0.000 0.000 -22.522) 22.522 30.761 ( -0.000 0.000 -22.522) 22.522 48.341 ( 0.000 -0.000 35.099) 35.099 48.341 ( 0.000 -0.000 35.099) 35.099 49.660 ( -0.000 0.000 -34.866) 34.866 49.660 ( -0.000 0.000 -34.866) 34.866 56.437 ( 0.000 -0.000 13.270) 13.270 56.936 ( -0.000 0.000 -13.552) 13.552 ======================= Grid point 1289 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.773 ( -21.513 -12.420 39.896) 46.997 6.515 ( 14.868 8.584 35.457) 39.395 6.757 ( -11.220 -6.478 -31.100) 33.691 7.178 ( 2.339 1.350 -28.614) 28.741 8.226 ( 7.908 4.566 40.416) 41.435 9.099 ( 5.244 3.028 -29.358) 29.976 17.022 ( -1.152 -0.665 5.451) 5.611 17.109 ( -3.375 -1.949 -7.520) 8.470 17.400 ( 12.328 7.117 1.650) 14.330 17.561 ( 21.105 12.185 -2.362) 24.485 24.048 ( -13.578 -7.839 15.354) 21.944 24.413 ( -9.494 -5.481 -14.556) 18.222 28.910 ( -7.468 -4.312 26.890) 28.239 29.523 ( -8.579 -4.953 -21.476) 23.650 30.050 ( 3.820 2.205 23.453) 23.865 30.175 ( 14.761 8.522 22.081) 27.894 30.594 ( -1.189 -0.687 -23.251) 23.291 30.767 ( 11.160 6.443 -20.895) 24.549 48.220 ( -10.549 -6.090 37.350) 39.286 49.007 ( 20.709 11.956 33.871) 41.461 49.079 ( -15.978 -9.225 -38.485) 42.679 49.887 ( 22.215 12.826 -32.152) 41.132 56.464 ( -4.525 -2.613 14.041) 14.982 56.806 ( -4.154 -2.398 -14.169) 14.959 ======================= Grid point 1290 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.502 ( -22.912 -13.228 36.156) 44.802 6.318 ( -10.439 -6.027 -33.174) 35.296 6.810 ( -6.758 -3.902 -15.331) 17.203 7.174 ( 14.441 8.337 13.255) 21.301 8.645 ( 8.727 5.039 33.108) 34.607 9.124 ( 11.107 6.413 -23.343) 26.634 16.941 ( -3.968 -2.291 -10.528) 11.482 17.187 ( 8.197 4.733 8.785) 12.914 17.705 ( 13.929 8.042 1.293) 16.136 18.151 ( 31.919 18.428 -1.569) 36.890 23.773 ( -19.883 -11.479 20.974) 31.097 23.999 ( -18.020 -10.404 -18.614) 27.919 28.906 ( -7.191 -4.152 26.364) 27.641 29.171 ( -10.163 -5.868 -21.993) 24.928 30.280 ( 4.393 2.536 21.757) 22.341 30.427 ( -1.130 -0.652 -22.792) 22.829 30.643 ( 15.723 9.078 14.856) 23.459 30.979 ( 16.802 9.701 -15.355) 24.742 48.329 ( -1.205 -0.696 38.566) 38.591 48.481 ( -15.333 -8.853 -39.078) 42.902 49.671 ( 20.643 11.918 30.801) 38.947 50.236 ( 24.924 14.390 -28.426) 40.451 56.427 ( -6.252 -3.610 14.819) 16.484 56.574 ( -8.316 -4.801 -15.943) 18.611 ======================= Grid point 1304 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.121 ( 0.000 -14.828 36.850) 39.722 6.459 ( -0.000 -22.818 -33.391) 40.443 6.580 ( 0.000 0.721 34.895) 34.902 7.120 ( -0.000 15.698 -28.690) 32.704 8.496 ( 0.000 12.230 36.487) 38.482 8.894 ( -0.000 5.346 -32.586) 33.021 16.965 ( 0.000 -8.976 6.595) 11.138 17.155 ( -0.000 3.438 -7.518) 8.267 17.432 ( -0.000 13.179 -1.379) 13.250 17.524 ( -0.000 25.434 1.142) 25.460 24.140 ( 0.000 -14.287 15.115) 20.799 24.326 ( -0.000 -11.505 -14.860) 18.793 29.068 ( 0.000 -9.089 26.414) 27.934 29.390 ( -0.000 -7.975 -24.833) 26.082 30.145 ( 0.000 -0.183 25.085) 25.086 30.364 ( 0.000 17.724 21.779) 28.080 30.507 ( -0.000 2.844 -23.654) 23.824 30.578 ( -0.000 10.833 -21.502) 24.077 48.371 ( 0.000 -20.312 38.088) 43.165 48.925 ( -0.000 -10.267 -38.917) 40.249 49.277 ( 0.000 28.978 33.887) 44.587 49.625 ( -0.000 21.130 -33.074) 39.248 56.543 ( 0.000 -5.971 14.355) 15.548 56.723 ( -0.000 -4.451 -14.143) 14.827 ======================= Grid point 1305 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.979 ( -1.222 -25.462 -35.698) 43.865 5.979 ( -21.439 -13.789 35.698) 43.865 6.993 ( -11.576 15.169 -30.821) 36.250 6.993 ( 18.925 -2.440 30.821) 36.250 8.848 ( 9.826 8.238 -29.746) 32.392 8.848 ( 2.221 12.628 29.746) 32.392 17.021 ( -9.960 4.724 -9.944) 14.846 17.021 ( 9.071 -6.263 9.944) 14.846 17.823 ( 19.360 20.060 -3.939) 28.155 17.823 ( 7.693 26.796 3.939) 28.155 23.998 ( -10.289 -16.930 -18.386) 27.029 23.998 ( -9.518 -17.375 18.386) 27.029 29.098 ( -5.903 -7.834 -25.361) 27.192 29.098 ( -3.833 -9.030 25.361) 27.192 30.332 ( -3.363 3.108 -23.397) 23.841 30.332 ( 4.373 -1.358 23.397) 23.841 30.724 ( 13.849 13.714 -17.296) 26.058 30.724 ( 4.952 18.851 17.296) 26.058 48.451 ( -15.697 -4.441 -39.998) 43.197 48.451 ( 4.002 -15.815 39.998) 43.197 49.828 ( 19.685 19.979 -31.040) 41.835 49.828 ( 7.460 27.037 31.040) 41.835 56.540 ( -5.045 -6.260 -15.176) 17.174 56.540 ( -2.899 -7.499 15.176) 17.174 ======================= Grid point 1514 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.630 ( -0.000 0.000 -34.094) 34.094 6.630 ( -0.000 0.000 -34.094) 34.094 6.630 ( 0.000 -0.000 34.094) 34.094 6.630 ( 0.000 -0.000 34.094) 34.094 8.614 ( -0.000 0.000 -37.443) 37.443 8.614 ( 0.000 -0.000 37.443) 37.443 17.186 ( 0.000 0.000 -3.852) 3.852 17.186 ( 0.000 0.000 3.852) 3.852 17.186 ( 0.000 -0.000 -3.852) 3.852 17.186 ( -0.000 -0.000 3.852) 3.852 24.362 ( -0.000 0.000 -12.904) 12.904 24.362 ( 0.000 -0.000 12.904) 12.904 29.328 ( -0.000 0.000 -25.243) 25.243 29.328 ( 0.000 -0.000 25.243) 25.243 30.316 ( -0.000 0.000 -25.782) 25.782 30.316 ( -0.000 0.000 -25.782) 25.782 30.316 ( 0.000 -0.000 25.782) 25.782 30.316 ( 0.000 -0.000 25.782) 25.782 49.002 ( -0.000 0.000 -36.451) 36.451 49.002 ( -0.000 0.000 -36.451) 36.451 49.002 ( 0.000 -0.000 36.451) 36.451 49.002 ( 0.000 -0.000 36.451) 36.451 56.685 ( -0.000 0.000 -13.698) 13.698 56.685 ( 0.000 -0.000 13.698) 13.698 =================== 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 3/65856 10.0 15442.158 15442.158 26749.321 0.000 -0.000 -0.000 3/65856 20.0 7127.814 7127.814 8353.420 0.000 -0.000 -0.000 3/65856 30.0 3070.465 3070.465 3693.876 0.000 -0.000 -0.000 3/65856 40.0 1543.333 1543.333 1930.177 0.000 -0.000 -0.000 3/65856 50.0 960.427 960.427 1223.946 0.000 -0.000 -0.000 3/65856 60.0 700.693 700.693 899.719 0.000 -0.000 -0.000 3/65856 70.0 564.777 564.777 726.713 0.000 -0.000 -0.000 3/65856 80.0 482.120 482.120 620.398 0.000 -0.000 -0.000 3/65856 90.0 424.667 424.667 546.338 0.000 -0.000 -0.000 3/65856 100.0 380.209 380.209 489.251 0.000 -0.000 -0.000 3/65856 110.0 343.134 343.134 441.973 0.000 -0.000 -0.000 3/65856 120.0 310.819 310.819 401.047 0.000 -0.000 -0.000 3/65856 130.0 282.039 282.039 364.782 0.000 -0.000 -0.000 3/65856 140.0 256.216 256.216 332.326 0.000 -0.000 -0.000 3/65856 150.0 233.047 233.047 303.209 0.000 -0.000 -0.000 3/65856 160.0 212.322 212.322 277.117 0.000 -0.000 -0.000 3/65856 170.0 193.851 193.851 253.790 0.000 -0.000 -0.000 3/65856 180.0 177.436 177.436 232.981 0.000 -0.000 -0.000 3/65856 190.0 162.877 162.877 214.446 0.000 -0.000 -0.000 3/65856 200.0 149.973 149.973 197.946 0.000 -0.000 -0.000 3/65856 210.0 138.533 138.533 183.255 0.000 -0.000 -0.000 3/65856 220.0 128.378 128.378 170.162 0.000 -0.000 -0.000 3/65856 230.0 119.347 119.347 158.473 0.000 -0.000 -0.000 3/65856 240.0 111.297 111.297 148.017 0.000 -0.000 -0.000 3/65856 250.0 104.101 104.101 138.640 0.000 -0.000 -0.000 3/65856 260.0 97.649 97.649 130.208 0.000 -0.000 -0.000 3/65856 270.0 91.846 91.846 122.604 0.000 -0.000 -0.000 3/65856 280.0 86.611 86.611 115.728 0.000 -0.000 -0.000 3/65856 290.0 81.872 81.872 109.490 0.000 -0.000 -0.000 3/65856 300.0 77.570 77.570 103.815 0.000 -0.000 -0.000 3/65856 310.0 73.651 73.651 98.638 0.000 -0.000 -0.000 3/65856 320.0 70.070 70.070 93.900 0.000 -0.000 -0.000 3/65856 330.0 66.790 66.790 89.554 0.000 -0.000 -0.000 3/65856 340.0 63.776 63.776 85.555 0.000 -0.000 -0.000 3/65856 350.0 60.999 60.999 81.868 0.000 -0.000 -0.000 3/65856 360.0 58.435 58.435 78.458 0.000 -0.000 -0.000 3/65856 370.0 56.061 56.061 75.299 0.000 -0.000 -0.000 3/65856 380.0 53.857 53.857 72.365 0.000 -0.000 -0.000 3/65856 390.0 51.808 51.808 69.634 0.000 -0.000 -0.000 3/65856 400.0 49.898 49.898 67.087 0.000 -0.000 -0.000 3/65856 410.0 48.115 48.115 64.707 0.000 -0.000 -0.000 3/65856 420.0 46.446 46.446 62.479 0.000 -0.000 -0.000 3/65856 430.0 44.882 44.882 60.390 0.000 -0.000 -0.000 3/65856 440.0 43.414 43.414 58.428 0.000 -0.000 -0.000 3/65856 450.0 42.033 42.033 56.582 0.000 -0.000 -0.000 3/65856 460.0 40.733 40.733 54.842 0.000 -0.000 -0.000 3/65856 470.0 39.506 39.506 53.201 0.000 -0.000 -0.000 3/65856 480.0 38.347 38.347 51.650 0.000 -0.000 -0.000 3/65856 490.0 37.251 37.251 50.183 0.000 -0.000 -0.000 3/65856 500.0 36.213 36.213 48.793 0.000 -0.000 -0.000 3/65856 510.0 35.229 35.229 47.475 0.000 -0.000 -0.000 3/65856 520.0 34.295 34.295 46.223 0.000 -0.000 -0.000 3/65856 530.0 33.407 33.407 45.033 0.000 -0.000 -0.000 3/65856 540.0 32.562 32.562 43.900 0.000 -0.000 -0.000 3/65856 550.0 31.757 31.757 42.821 0.000 -0.000 -0.000 3/65856 560.0 30.990 30.990 41.793 0.000 -0.000 -0.000 3/65856 570.0 30.258 30.258 40.811 0.000 -0.000 -0.000 3/65856 580.0 29.559 29.559 39.873 0.000 -0.000 -0.000 3/65856 590.0 28.890 28.890 38.976 0.000 -0.000 -0.000 3/65856 600.0 28.251 28.251 38.117 0.000 -0.000 -0.000 3/65856 610.0 27.638 27.638 37.295 0.000 -0.000 -0.000 3/65856 620.0 27.051 27.051 36.507 0.000 -0.000 -0.000 3/65856 630.0 26.488 26.488 35.751 0.000 -0.000 -0.000 3/65856 640.0 25.947 25.947 35.025 0.000 -0.000 -0.000 3/65856 650.0 25.428 25.428 34.328 0.000 -0.000 -0.000 3/65856 660.0 24.929 24.929 33.658 0.000 -0.000 -0.000 3/65856 670.0 24.449 24.449 33.013 0.000 -0.000 -0.000 3/65856 680.0 23.987 23.987 32.392 0.000 -0.000 -0.000 3/65856 690.0 23.542 23.542 31.794 0.000 -0.000 -0.000 3/65856 700.0 23.113 23.113 31.218 0.000 -0.000 -0.000 3/65856 710.0 22.699 22.699 30.662 0.000 -0.000 -0.000 3/65856 720.0 22.300 22.300 30.125 0.000 -0.000 -0.000 3/65856 730.0 21.915 21.915 29.607 0.000 -0.000 -0.000 3/65856 740.0 21.543 21.543 29.106 0.000 -0.000 -0.000 3/65856 750.0 21.183 21.183 28.623 0.000 -0.000 -0.000 3/65856 760.0 20.835 20.835 28.155 0.000 -0.000 -0.000 3/65856 770.0 20.499 20.499 27.702 0.000 -0.000 -0.000 3/65856 780.0 20.173 20.173 27.264 0.000 -0.000 -0.000 3/65856 790.0 19.857 19.857 26.839 0.000 -0.000 -0.000 3/65856 800.0 19.551 19.551 26.428 0.000 -0.000 -0.000 3/65856 810.0 19.255 19.255 26.029 0.000 -0.000 -0.000 3/65856 820.0 18.967 18.967 25.642 0.000 -0.000 -0.000 3/65856 830.0 18.689 18.689 25.266 0.000 -0.000 -0.000 3/65856 840.0 18.418 18.418 24.902 0.000 -0.000 -0.000 3/65856 850.0 18.155 18.155 24.548 0.000 -0.000 -0.000 3/65856 860.0 17.900 17.900 24.204 0.000 -0.000 -0.000 3/65856 870.0 17.651 17.651 23.870 0.000 -0.000 -0.000 3/65856 880.0 17.410 17.410 23.545 0.000 -0.000 -0.000 3/65856 890.0 17.175 17.175 23.229 0.000 -0.000 -0.000 3/65856 900.0 16.947 16.947 22.921 0.000 -0.000 -0.000 3/65856 910.0 16.725 16.725 22.622 0.000 -0.000 -0.000 3/65856 920.0 16.508 16.508 22.331 0.000 -0.000 -0.000 3/65856 930.0 16.298 16.298 22.047 0.000 -0.000 -0.000 3/65856 940.0 16.092 16.092 21.770 0.000 -0.000 -0.000 3/65856 950.0 15.892 15.892 21.500 0.000 -0.000 -0.000 3/65856 960.0 15.697 15.697 21.237 0.000 -0.000 -0.000 3/65856 970.0 15.507 15.507 20.981 0.000 -0.000 -0.000 3/65856 980.0 15.321 15.321 20.731 0.000 -0.000 -0.000 3/65856 990.0 15.140 15.140 20.487 0.000 -0.000 -0.000 3/65856 1000.0 14.963 14.963 20.248 0.000 -0.000 -0.000 3/65856 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:43:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|