----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:54:49]------------------------- 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 2.499807425789996 1.443264490202077 5.603762913333327 b -2.499807425789991 1.443264490202077 5.603762913333327 c 0.000000000000003 -2.886528980404158 5.603762913333327 Atomic positions (fractional): *1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 *3 O 0.00889721918365 0.75000000000000 0.49110278081635 15.999 4 O 0.49110278081635 0.00889721918365 0.75000000000000 15.999 5 O 0.25000000000000 0.50889721918365 0.99110278081635 15.999 6 O 0.99110278081635 0.25000000000000 0.50889721918365 15.999 7 O 0.50889721918365 0.99110278081635 0.25000000000000 15.999 8 O 0.75000000000000 0.49110278081635 0.00889721918365 15.999 *9 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.999614851579988 0.000000000000000 0.000000000000000 b -2.499807425789994 4.329793470606235 0.000000000000000 c 0.000000000000000 0.000000000000000 16.811288739999998 Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.08333333333333 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 3 C 0.33333333333333 0.66666666666667 0.41666666666667 12.011 > 1 4 C 0.66666666666667 0.33333333333333 0.58333333333333 12.011 > 2 5 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 6 C 0.33333333333333 0.66666666666667 0.91666666666667 12.011 > 2 *7 O 0.92556388585032 0.59223055251699 0.08333333333333 15.999 > 3 8 O 0.40776944748301 0.33333333333333 0.08333333333333 15.999 > 4 9 O 0.00000000000000 0.25889721918365 0.25000000000000 15.999 > 5 10 O 0.74110278081635 0.74110278081635 0.25000000000000 15.999 > 6 11 O 0.25889721918365 0.00000000000000 0.25000000000000 15.999 > 7 12 O 0.66666666666667 0.07443611414968 0.08333333333333 15.999 > 8 13 O 0.59223055251699 0.92556388585032 0.41666666666667 15.999 > 3 14 O 0.07443611414968 0.66666666666667 0.41666666666667 15.999 > 4 15 O 0.66666666666667 0.59223055251699 0.58333333333333 15.999 > 5 16 O 0.40776944748301 0.07443611414968 0.58333333333333 15.999 > 6 17 O 0.92556388585032 0.33333333333333 0.58333333333333 15.999 > 7 18 O 0.33333333333333 0.40776944748301 0.41666666666667 15.999 > 8 19 O 0.25889721918365 0.25889721918365 0.75000000000000 15.999 > 3 20 O 0.74110278081635 0.00000000000000 0.75000000000000 15.999 > 4 21 O 0.33333333333333 0.92556388585032 0.91666666666667 15.999 > 5 22 O 0.07443611414968 0.40776944748301 0.91666666666667 15.999 > 6 23 O 0.59223055251699 0.66666666666667 0.91666666666667 15.999 > 7 24 O 0.00000000000000 0.74110278081635 0.75000000000000 15.999 > 8 *25 Ca 0.33333333333333 0.66666666666667 0.16666666666667 40.078 > 9 26 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 10 27 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 9 28 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 10 29 Ca 0.66666666666667 0.33333333333333 0.83333333333333 40.078 > 9 30 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.999229703159976 0.000000000000000 0.000000000000000 b -4.999614851579988 8.659586941212471 0.000000000000000 c 0.000000000000000 0.000000000000000 16.811288739999998 Atomic positions (fractional): *1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 2 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 2 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 2 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 2 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 2 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 2 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 2 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 2 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 2 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 2 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 2 *25 O 0.46278194292516 0.29611527625849 0.08333333333333 15.999 > 3 26 O 0.96278194292516 0.29611527625849 0.08333333333333 15.999 > 3 27 O 0.46278194292516 0.79611527625849 0.08333333333333 15.999 > 3 28 O 0.96278194292516 0.79611527625849 0.08333333333333 15.999 > 3 29 O 0.20388472374151 0.16666666666667 0.08333333333333 15.999 > 4 30 O 0.70388472374151 0.16666666666667 0.08333333333333 15.999 > 4 31 O 0.20388472374151 0.66666666666667 0.08333333333333 15.999 > 4 32 O 0.70388472374151 0.66666666666667 0.08333333333333 15.999 > 4 33 O 0.00000000000000 0.12944860959183 0.25000000000000 15.999 > 5 34 O 0.50000000000000 0.12944860959183 0.25000000000000 15.999 > 5 35 O 0.00000000000000 0.62944860959183 0.25000000000000 15.999 > 5 36 O 0.50000000000000 0.62944860959183 0.25000000000000 15.999 > 5 37 O 0.37055139040817 0.37055139040817 0.25000000000000 15.999 > 6 38 O 0.87055139040817 0.37055139040817 0.25000000000000 15.999 > 6 39 O 0.37055139040817 0.87055139040817 0.25000000000000 15.999 > 6 40 O 0.87055139040817 0.87055139040817 0.25000000000000 15.999 > 6 41 O 0.12944860959183 0.00000000000000 0.25000000000000 15.999 > 7 42 O 0.62944860959183 0.00000000000000 0.25000000000000 15.999 > 7 43 O 0.12944860959183 0.50000000000000 0.25000000000000 15.999 > 7 44 O 0.62944860959183 0.50000000000000 0.25000000000000 15.999 > 7 45 O 0.33333333333333 0.03721805707484 0.08333333333333 15.999 > 8 46 O 0.83333333333333 0.03721805707484 0.08333333333333 15.999 > 8 47 O 0.33333333333333 0.53721805707484 0.08333333333333 15.999 > 8 48 O 0.83333333333333 0.53721805707484 0.08333333333333 15.999 > 8 49 O 0.29611527625849 0.46278194292516 0.41666666666667 15.999 > 3 50 O 0.79611527625849 0.46278194292516 0.41666666666667 15.999 > 3 51 O 0.29611527625849 0.96278194292516 0.41666666666667 15.999 > 3 52 O 0.79611527625849 0.96278194292516 0.41666666666667 15.999 > 3 53 O 0.03721805707484 0.33333333333333 0.41666666666667 15.999 > 4 54 O 0.53721805707484 0.33333333333333 0.41666666666667 15.999 > 4 55 O 0.03721805707484 0.83333333333333 0.41666666666667 15.999 > 4 56 O 0.53721805707484 0.83333333333333 0.41666666666667 15.999 > 4 57 O 0.33333333333333 0.29611527625849 0.58333333333333 15.999 > 5 58 O 0.83333333333333 0.29611527625849 0.58333333333333 15.999 > 5 59 O 0.33333333333333 0.79611527625849 0.58333333333333 15.999 > 5 60 O 0.83333333333333 0.79611527625849 0.58333333333333 15.999 > 5 61 O 0.20388472374151 0.03721805707484 0.58333333333333 15.999 > 6 62 O 0.70388472374151 0.03721805707484 0.58333333333333 15.999 > 6 63 O 0.20388472374151 0.53721805707484 0.58333333333333 15.999 > 6 64 O 0.70388472374151 0.53721805707484 0.58333333333333 15.999 > 6 65 O 0.46278194292516 0.16666666666667 0.58333333333333 15.999 > 7 66 O 0.96278194292516 0.16666666666667 0.58333333333333 15.999 > 7 67 O 0.46278194292516 0.66666666666667 0.58333333333333 15.999 > 7 68 O 0.96278194292516 0.66666666666667 0.58333333333333 15.999 > 7 69 O 0.16666666666667 0.20388472374151 0.41666666666667 15.999 > 8 70 O 0.66666666666667 0.20388472374151 0.41666666666667 15.999 > 8 71 O 0.16666666666667 0.70388472374151 0.41666666666667 15.999 > 8 72 O 0.66666666666667 0.70388472374151 0.41666666666667 15.999 > 8 73 O 0.12944860959183 0.12944860959183 0.75000000000000 15.999 > 3 74 O 0.62944860959183 0.12944860959183 0.75000000000000 15.999 > 3 75 O 0.12944860959183 0.62944860959183 0.75000000000000 15.999 > 3 76 O 0.62944860959183 0.62944860959183 0.75000000000000 15.999 > 3 77 O 0.37055139040817 0.00000000000000 0.75000000000000 15.999 > 4 78 O 0.87055139040817 0.00000000000000 0.75000000000000 15.999 > 4 79 O 0.37055139040817 0.50000000000000 0.75000000000000 15.999 > 4 80 O 0.87055139040817 0.50000000000000 0.75000000000000 15.999 > 4 81 O 0.16666666666667 0.46278194292516 0.91666666666667 15.999 > 5 82 O 0.66666666666667 0.46278194292516 0.91666666666667 15.999 > 5 83 O 0.16666666666667 0.96278194292516 0.91666666666667 15.999 > 5 84 O 0.66666666666667 0.96278194292516 0.91666666666667 15.999 > 5 85 O 0.03721805707484 0.20388472374151 0.91666666666667 15.999 > 6 86 O 0.53721805707484 0.20388472374151 0.91666666666667 15.999 > 6 87 O 0.03721805707484 0.70388472374151 0.91666666666667 15.999 > 6 88 O 0.53721805707484 0.70388472374151 0.91666666666667 15.999 > 6 89 O 0.29611527625849 0.33333333333333 0.91666666666667 15.999 > 7 90 O 0.79611527625849 0.33333333333333 0.91666666666667 15.999 > 7 91 O 0.29611527625849 0.83333333333333 0.91666666666667 15.999 > 7 92 O 0.79611527625849 0.83333333333333 0.91666666666667 15.999 > 7 93 O 0.00000000000000 0.37055139040817 0.75000000000000 15.999 > 8 94 O 0.50000000000000 0.37055139040817 0.75000000000000 15.999 > 8 95 O 0.00000000000000 0.87055139040817 0.75000000000000 15.999 > 8 96 O 0.50000000000000 0.87055139040817 0.75000000000000 15.999 > 8 *97 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 9 98 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 9 99 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 9 100 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 9 101 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 10 102 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 10 103 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 10 104 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 10 105 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 9 106 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 9 107 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 9 108 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 9 109 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 10 110 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 10 111 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 10 112 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 10 113 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 9 114 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 9 115 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 9 116 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 9 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 10 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 10 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 10 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0168228 0.0000000 0.0000000 0.0000000 3.0168228 0.0000000 0.0000000 0.0000000 2.3843654 -------------------------- Born effective charges -------------------------- 1 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 2 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 3 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 4 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 5 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 6 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 7 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 8 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 9 Ca 2.5412558 -0.2188729 0.0000000 0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 10 Ca 2.5412558 0.2188729 0.0000000 -0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 276 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 77 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (1, 1), data: True |-- (77, 74), data: True |-- (193, 191), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.423 Solver_block: 160 / 160 - Time: 0.298 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.737 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 276 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 193 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 77 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (1, 1), data: True |-- (77, 74), data: True |-- (193, 191), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 19:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.499807425789996 1.443264490202077 5.603762913333327 b -2.499807425789991 1.443264490202077 5.603762913333327 c 0.000000000000003 -2.886528980404158 5.603762913333327 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.00889721918365 0.75000000000000 0.49110278081635 15.999 4 O 0.49110278081635 0.00889721918365 0.75000000000000 15.999 5 O 0.25000000000000 0.50889721918365 0.99110278081635 15.999 6 O 0.99110278081635 0.25000000000000 0.50889721918365 15.999 7 O 0.50889721918365 0.99110278081635 0.25000000000000 15.999 8 O 0.75000000000000 0.49110278081635 0.00889721918365 15.999 9 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.999229703159976 0.000000000000000 0.000000000000000 b -4.999614851579988 8.659586941212471 0.000000000000000 c 0.000000000000000 0.000000000000000 16.811288739999998 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.46278194292516 0.29611527625849 0.08333333333333 15.999 > 25 26 O 0.96278194292516 0.29611527625849 0.08333333333333 15.999 > 25 27 O 0.46278194292516 0.79611527625849 0.08333333333333 15.999 > 25 28 O 0.96278194292516 0.79611527625849 0.08333333333333 15.999 > 25 29 O 0.20388472374151 0.16666666666667 0.08333333333333 15.999 > 29 30 O 0.70388472374151 0.16666666666667 0.08333333333333 15.999 > 29 31 O 0.20388472374151 0.66666666666667 0.08333333333333 15.999 > 29 32 O 0.70388472374151 0.66666666666667 0.08333333333333 15.999 > 29 33 O 0.00000000000000 0.12944860959183 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.12944860959183 0.25000000000000 15.999 > 33 35 O 0.00000000000000 0.62944860959183 0.25000000000000 15.999 > 33 36 O 0.50000000000000 0.62944860959183 0.25000000000000 15.999 > 33 37 O 0.37055139040817 0.37055139040817 0.25000000000000 15.999 > 37 38 O 0.87055139040817 0.37055139040817 0.25000000000000 15.999 > 37 39 O 0.37055139040817 0.87055139040817 0.25000000000000 15.999 > 37 40 O 0.87055139040817 0.87055139040817 0.25000000000000 15.999 > 37 41 O 0.12944860959183 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.62944860959183 0.00000000000000 0.25000000000000 15.999 > 41 43 O 0.12944860959183 0.50000000000000 0.25000000000000 15.999 > 41 44 O 0.62944860959183 0.50000000000000 0.25000000000000 15.999 > 41 45 O 0.33333333333333 0.03721805707484 0.08333333333333 15.999 > 45 46 O 0.83333333333333 0.03721805707484 0.08333333333333 15.999 > 45 47 O 0.33333333333333 0.53721805707484 0.08333333333333 15.999 > 45 48 O 0.83333333333333 0.53721805707484 0.08333333333333 15.999 > 45 49 O 0.29611527625849 0.46278194292516 0.41666666666667 15.999 > 25 50 O 0.79611527625849 0.46278194292516 0.41666666666667 15.999 > 25 51 O 0.29611527625849 0.96278194292516 0.41666666666667 15.999 > 25 52 O 0.79611527625849 0.96278194292516 0.41666666666667 15.999 > 25 53 O 0.03721805707484 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.53721805707484 0.33333333333333 0.41666666666667 15.999 > 29 55 O 0.03721805707484 0.83333333333333 0.41666666666667 15.999 > 29 56 O 0.53721805707484 0.83333333333333 0.41666666666667 15.999 > 29 57 O 0.33333333333333 0.29611527625849 0.58333333333333 15.999 > 33 58 O 0.83333333333333 0.29611527625849 0.58333333333333 15.999 > 33 59 O 0.33333333333333 0.79611527625849 0.58333333333333 15.999 > 33 60 O 0.83333333333333 0.79611527625849 0.58333333333333 15.999 > 33 61 O 0.20388472374151 0.03721805707484 0.58333333333333 15.999 > 37 62 O 0.70388472374151 0.03721805707484 0.58333333333333 15.999 > 37 63 O 0.20388472374151 0.53721805707484 0.58333333333333 15.999 > 37 64 O 0.70388472374151 0.53721805707484 0.58333333333333 15.999 > 37 65 O 0.46278194292516 0.16666666666667 0.58333333333333 15.999 > 41 66 O 0.96278194292516 0.16666666666667 0.58333333333333 15.999 > 41 67 O 0.46278194292516 0.66666666666667 0.58333333333333 15.999 > 41 68 O 0.96278194292516 0.66666666666667 0.58333333333333 15.999 > 41 69 O 0.16666666666667 0.20388472374151 0.41666666666667 15.999 > 45 70 O 0.66666666666667 0.20388472374151 0.41666666666667 15.999 > 45 71 O 0.16666666666667 0.70388472374151 0.41666666666667 15.999 > 45 72 O 0.66666666666667 0.70388472374151 0.41666666666667 15.999 > 45 73 O 0.12944860959183 0.12944860959183 0.75000000000000 15.999 > 25 74 O 0.62944860959183 0.12944860959183 0.75000000000000 15.999 > 25 75 O 0.12944860959183 0.62944860959183 0.75000000000000 15.999 > 25 76 O 0.62944860959183 0.62944860959183 0.75000000000000 15.999 > 25 77 O 0.37055139040817 0.00000000000000 0.75000000000000 15.999 > 29 78 O 0.87055139040817 0.00000000000000 0.75000000000000 15.999 > 29 79 O 0.37055139040817 0.50000000000000 0.75000000000000 15.999 > 29 80 O 0.87055139040817 0.50000000000000 0.75000000000000 15.999 > 29 81 O 0.16666666666667 0.46278194292516 0.91666666666667 15.999 > 33 82 O 0.66666666666667 0.46278194292516 0.91666666666667 15.999 > 33 83 O 0.16666666666667 0.96278194292516 0.91666666666667 15.999 > 33 84 O 0.66666666666667 0.96278194292516 0.91666666666667 15.999 > 33 85 O 0.03721805707484 0.20388472374151 0.91666666666667 15.999 > 37 86 O 0.53721805707484 0.20388472374151 0.91666666666667 15.999 > 37 87 O 0.03721805707484 0.70388472374151 0.91666666666667 15.999 > 37 88 O 0.53721805707484 0.70388472374151 0.91666666666667 15.999 > 37 89 O 0.29611527625849 0.33333333333333 0.91666666666667 15.999 > 41 90 O 0.79611527625849 0.33333333333333 0.91666666666667 15.999 > 41 91 O 0.29611527625849 0.83333333333333 0.91666666666667 15.999 > 41 92 O 0.79611527625849 0.83333333333333 0.91666666666667 15.999 > 41 93 O 0.00000000000000 0.37055139040817 0.75000000000000 15.999 > 45 94 O 0.50000000000000 0.37055139040817 0.75000000000000 15.999 > 45 95 O 0.00000000000000 0.87055139040817 0.75000000000000 15.999 > 45 96 O 0.50000000000000 0.87055139040817 0.75000000000000 15.999 > 45 97 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 97 98 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 97 99 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 97 100 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 97 101 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 101 102 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 101 103 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 101 104 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 101 105 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 97 106 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 97 107 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 97 108 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 97 109 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 101 110 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 101 111 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 101 112 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 101 113 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 97 114 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 97 115 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 97 116 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 97 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 101 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 101 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 101 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0168228 0.0000000 0.0000000 0.0000000 3.0168228 0.0000000 0.0000000 0.0000000 2.3843654 -------------------------- Born effective charges -------------------------- 1 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 2 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 3 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 4 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 5 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 6 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 7 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 8 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 9 Ca 2.5412558 -0.2188729 0.0000000 0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 10 Ca 2.5412558 0.2188729 0.0000000 -0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000018 (yxy) -0.00000018 (yxy) -0.00000018 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 2026-01-07 19:55:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:55:06]------------------------- 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 2.499807425789996 1.443264490202077 5.603762913333327 b -2.499807425789991 1.443264490202077 5.603762913333327 c 0.000000000000003 -2.886528980404158 5.603762913333327 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.00889721918365 0.75000000000000 0.49110278081635 15.999 4 O 0.49110278081635 0.00889721918365 0.75000000000000 15.999 5 O 0.25000000000000 0.50889721918365 0.99110278081635 15.999 6 O 0.99110278081635 0.25000000000000 0.50889721918365 15.999 7 O 0.50889721918365 0.99110278081635 0.25000000000000 15.999 8 O 0.75000000000000 0.49110278081635 0.00889721918365 15.999 9 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.999229703159976 0.000000000000000 0.000000000000000 b -4.999614851579988 8.659586941212471 0.000000000000000 c 0.000000000000000 0.000000000000000 16.811288739999998 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.46278194292516 0.29611527625849 0.08333333333333 15.999 > 25 26 O 0.96278194292516 0.29611527625849 0.08333333333333 15.999 > 25 27 O 0.46278194292516 0.79611527625849 0.08333333333333 15.999 > 25 28 O 0.96278194292516 0.79611527625849 0.08333333333333 15.999 > 25 29 O 0.20388472374151 0.16666666666667 0.08333333333333 15.999 > 29 30 O 0.70388472374151 0.16666666666667 0.08333333333333 15.999 > 29 31 O 0.20388472374151 0.66666666666667 0.08333333333333 15.999 > 29 32 O 0.70388472374151 0.66666666666667 0.08333333333333 15.999 > 29 33 O 0.00000000000000 0.12944860959183 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.12944860959183 0.25000000000000 15.999 > 33 35 O 0.00000000000000 0.62944860959183 0.25000000000000 15.999 > 33 36 O 0.50000000000000 0.62944860959183 0.25000000000000 15.999 > 33 37 O 0.37055139040817 0.37055139040817 0.25000000000000 15.999 > 37 38 O 0.87055139040817 0.37055139040817 0.25000000000000 15.999 > 37 39 O 0.37055139040817 0.87055139040817 0.25000000000000 15.999 > 37 40 O 0.87055139040817 0.87055139040817 0.25000000000000 15.999 > 37 41 O 0.12944860959183 0.00000000000000 0.25000000000000 15.999 > 41 42 O 0.62944860959183 0.00000000000000 0.25000000000000 15.999 > 41 43 O 0.12944860959183 0.50000000000000 0.25000000000000 15.999 > 41 44 O 0.62944860959183 0.50000000000000 0.25000000000000 15.999 > 41 45 O 0.33333333333333 0.03721805707484 0.08333333333333 15.999 > 45 46 O 0.83333333333333 0.03721805707484 0.08333333333333 15.999 > 45 47 O 0.33333333333333 0.53721805707484 0.08333333333333 15.999 > 45 48 O 0.83333333333333 0.53721805707484 0.08333333333333 15.999 > 45 49 O 0.29611527625849 0.46278194292516 0.41666666666667 15.999 > 25 50 O 0.79611527625849 0.46278194292516 0.41666666666667 15.999 > 25 51 O 0.29611527625849 0.96278194292516 0.41666666666667 15.999 > 25 52 O 0.79611527625849 0.96278194292516 0.41666666666667 15.999 > 25 53 O 0.03721805707484 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.53721805707484 0.33333333333333 0.41666666666667 15.999 > 29 55 O 0.03721805707484 0.83333333333333 0.41666666666667 15.999 > 29 56 O 0.53721805707484 0.83333333333333 0.41666666666667 15.999 > 29 57 O 0.33333333333333 0.29611527625849 0.58333333333333 15.999 > 33 58 O 0.83333333333333 0.29611527625849 0.58333333333333 15.999 > 33 59 O 0.33333333333333 0.79611527625849 0.58333333333333 15.999 > 33 60 O 0.83333333333333 0.79611527625849 0.58333333333333 15.999 > 33 61 O 0.20388472374151 0.03721805707484 0.58333333333333 15.999 > 37 62 O 0.70388472374151 0.03721805707484 0.58333333333333 15.999 > 37 63 O 0.20388472374151 0.53721805707484 0.58333333333333 15.999 > 37 64 O 0.70388472374151 0.53721805707484 0.58333333333333 15.999 > 37 65 O 0.46278194292516 0.16666666666667 0.58333333333333 15.999 > 41 66 O 0.96278194292516 0.16666666666667 0.58333333333333 15.999 > 41 67 O 0.46278194292516 0.66666666666667 0.58333333333333 15.999 > 41 68 O 0.96278194292516 0.66666666666667 0.58333333333333 15.999 > 41 69 O 0.16666666666667 0.20388472374151 0.41666666666667 15.999 > 45 70 O 0.66666666666667 0.20388472374151 0.41666666666667 15.999 > 45 71 O 0.16666666666667 0.70388472374151 0.41666666666667 15.999 > 45 72 O 0.66666666666667 0.70388472374151 0.41666666666667 15.999 > 45 73 O 0.12944860959183 0.12944860959183 0.75000000000000 15.999 > 25 74 O 0.62944860959183 0.12944860959183 0.75000000000000 15.999 > 25 75 O 0.12944860959183 0.62944860959183 0.75000000000000 15.999 > 25 76 O 0.62944860959183 0.62944860959183 0.75000000000000 15.999 > 25 77 O 0.37055139040817 0.00000000000000 0.75000000000000 15.999 > 29 78 O 0.87055139040817 0.00000000000000 0.75000000000000 15.999 > 29 79 O 0.37055139040817 0.50000000000000 0.75000000000000 15.999 > 29 80 O 0.87055139040817 0.50000000000000 0.75000000000000 15.999 > 29 81 O 0.16666666666667 0.46278194292516 0.91666666666667 15.999 > 33 82 O 0.66666666666667 0.46278194292516 0.91666666666667 15.999 > 33 83 O 0.16666666666667 0.96278194292516 0.91666666666667 15.999 > 33 84 O 0.66666666666667 0.96278194292516 0.91666666666667 15.999 > 33 85 O 0.03721805707484 0.20388472374151 0.91666666666667 15.999 > 37 86 O 0.53721805707484 0.20388472374151 0.91666666666667 15.999 > 37 87 O 0.03721805707484 0.70388472374151 0.91666666666667 15.999 > 37 88 O 0.53721805707484 0.70388472374151 0.91666666666667 15.999 > 37 89 O 0.29611527625849 0.33333333333333 0.91666666666667 15.999 > 41 90 O 0.79611527625849 0.33333333333333 0.91666666666667 15.999 > 41 91 O 0.29611527625849 0.83333333333333 0.91666666666667 15.999 > 41 92 O 0.79611527625849 0.83333333333333 0.91666666666667 15.999 > 41 93 O 0.00000000000000 0.37055139040817 0.75000000000000 15.999 > 45 94 O 0.50000000000000 0.37055139040817 0.75000000000000 15.999 > 45 95 O 0.00000000000000 0.87055139040817 0.75000000000000 15.999 > 45 96 O 0.50000000000000 0.87055139040817 0.75000000000000 15.999 > 45 97 Ca 0.16666666666667 0.33333333333333 0.16666666666667 40.078 > 97 98 Ca 0.66666666666667 0.33333333333333 0.16666666666667 40.078 > 97 99 Ca 0.16666666666667 0.83333333333333 0.16666666666667 40.078 > 97 100 Ca 0.66666666666667 0.83333333333333 0.16666666666667 40.078 > 97 101 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 101 102 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 101 103 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 101 104 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 101 105 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 97 106 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 97 107 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 97 108 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 97 109 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 101 110 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 101 111 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 101 112 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 101 113 Ca 0.33333333333333 0.16666666666667 0.83333333333333 40.078 > 97 114 Ca 0.83333333333333 0.16666666666667 0.83333333333333 40.078 > 97 115 Ca 0.33333333333333 0.66666666666667 0.83333333333333 40.078 > 97 116 Ca 0.83333333333333 0.66666666666667 0.83333333333333 40.078 > 97 117 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 101 118 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 101 119 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 101 120 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0168228 0.0000000 0.0000000 0.0000000 3.0168228 0.0000000 0.0000000 0.0000000 2.3843654 -------------------------- Born effective charges -------------------------- 1 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 2 C 3.2386262 0.0000000 0.0000000 -0.0000000 3.2386262 -0.0000000 0.0000000 -0.0000000 0.2787176 3 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 4 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 5 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 6 O -1.5835674 -0.5941973 -0.2001797 -0.5941973 -2.2696873 0.1155738 -0.1926888 0.1112489 -0.8987244 7 O -2.6127472 -0.0000000 0.0000000 0.0000000 -1.2405074 -0.2311476 0.0000000 -0.2224979 -0.8987244 8 O -1.5835674 0.5941973 0.2001797 0.5941973 -2.2696873 0.1155738 0.1926888 0.1112489 -0.8987244 9 Ca 2.5412558 -0.2188729 0.0000000 0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 10 Ca 2.5412558 0.2188729 0.0000000 -0.2188729 2.5412558 -0.0000000 0.0000000 -0.0000000 2.4174555 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000018 (yxy) -0.00000018 (yxy) -0.00000018 (yyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.84, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 20.464 ( 0.000 0.000 0.000) 0.000 20.464 ( 0.000 0.000 0.000) 0.000 20.484 ( 0.000 0.000 0.000) 0.000 20.484 ( 0.000 0.000 0.000) 0.000 24.684 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 32.228 ( 0.000 0.000 0.000) 0.000 32.250 ( 0.000 0.000 0.000) 0.000 42.029 ( 0.000 0.000 0.000) 0.000 42.029 ( 0.000 0.000 0.000) 0.000 43.022 ( 0.000 0.000 0.000) 0.000 43.022 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 30.930 17.857 -10.646) 37.267 0.611 ( 26.193 15.123 -0.080) 30.245 1.497 ( 59.909 34.588 21.260) 72.370 3.050 ( 1.733 1.001 1.451) 2.472 3.095 ( -0.313 -0.181 -0.977) 1.042 3.661 ( 6.955 4.015 11.501) 14.027 4.757 ( 0.788 0.455 2.308) 2.481 4.815 ( 6.123 3.535 -3.719) 7.989 5.218 ( -4.806 -2.775 -0.798) 5.607 6.574 ( -0.964 -0.556 1.809) 2.124 6.935 ( 2.582 1.491 -7.313) 7.897 8.122 ( -18.010 -10.398 -1.827) 20.877 8.380 ( -1.944 -1.122 1.409) 2.650 8.579 ( 0.464 0.268 -5.331) 5.358 8.743 ( 6.798 3.925 -2.511) 8.241 8.934 ( 1.782 1.029 -1.585) 2.597 9.420 ( -0.468 -0.270 8.612) 8.629 11.259 ( -15.860 -9.157 4.484) 18.855 20.424 ( -2.158 -1.246 0.155) 2.497 20.497 ( 0.981 0.566 -0.279) 1.166 20.503 ( -1.326 -0.765 -0.864) 1.758 20.511 ( 0.931 0.537 0.109) 1.080 24.706 ( -1.153 -0.665 6.616) 6.748 24.833 ( -0.325 -0.188 0.233) 0.442 32.219 ( -0.780 -0.451 -0.004) 0.901 32.260 ( 0.929 0.537 -0.490) 1.180 42.106 ( 6.074 3.507 3.117) 7.676 43.020 ( 0.708 0.409 -3.705) 3.794 43.072 ( 3.949 2.280 2.497) 5.199 46.049 ( 13.971 8.066 -77.669) 79.327 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 19.299 11.143 5.156) 22.874 1.272 ( 33.255 19.200 -9.472) 39.550 2.755 ( 40.528 23.399 4.643) 47.028 3.103 ( 1.989 1.148 -0.119) 2.300 3.195 ( 14.687 8.479 8.605) 19.017 3.985 ( 15.801 9.122 16.000) 24.267 4.809 ( 3.711 2.142 2.335) 4.880 4.817 ( -8.194 -4.731 -8.797) 12.919 5.154 ( 3.049 1.760 -0.761) 3.602 6.559 ( -0.676 -0.390 -0.684) 1.037 6.973 ( 3.830 2.211 -5.867) 7.347 7.656 ( -23.466 -13.548 3.629) 27.339 8.318 ( -4.835 -2.792 2.465) 6.103 8.556 ( 0.469 0.271 -5.434) 5.460 8.876 ( 6.196 3.577 -2.596) 7.611 8.963 ( -0.387 -0.223 4.981) 5.001 9.436 ( -2.194 -1.267 8.346) 8.722 10.804 ( -22.831 -13.182 -9.040) 27.870 20.384 ( -1.563 -0.902 0.586) 1.897 20.451 ( -2.820 -1.628 -0.467) 3.290 20.516 ( -0.442 -0.255 -0.270) 0.578 20.526 ( 1.461 0.843 -0.319) 1.717 24.716 ( -0.084 -0.049 2.921) 2.923 24.824 ( -0.581 -0.336 0.338) 0.751 32.198 ( -0.997 -0.576 -0.152) 1.161 32.283 ( 1.305 0.754 -0.883) 1.747 42.311 ( 9.838 5.680 5.425) 12.589 43.018 ( 1.512 0.873 -6.669) 6.894 43.223 ( 7.739 4.468 6.148) 10.847 45.936 ( 2.227 1.286 -40.958) 41.038 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 10.609 6.125 12.726) 17.664 1.954 ( 31.356 18.104 -10.072) 37.582 3.214 ( 17.278 9.976 -16.420) 25.839 3.222 ( 8.626 4.980 4.495) 10.928 3.877 ( 27.849 16.078 16.377) 36.087 4.389 ( 5.682 3.281 24.295) 25.165 4.427 ( -19.481 -11.247 -10.262) 24.725 5.073 ( 23.513 13.575 -1.656) 27.201 5.254 ( 4.130 2.384 -4.178) 6.340 6.518 ( -1.225 -0.707 -11.159) 11.249 7.040 ( 3.948 2.280 -5.988) 7.526 7.156 ( -25.414 -14.673 19.252) 35.097 8.171 ( -9.759 -5.635 3.704) 11.862 8.561 ( 2.201 1.271 -3.602) 4.409 8.951 ( -3.253 -1.878 6.586) 7.582 8.987 ( 4.261 2.460 -0.799) 4.984 9.402 ( -3.396 -1.961 3.728) 5.411 10.230 ( -21.510 -12.419 -14.677) 28.850 20.361 ( -1.023 -0.591 1.016) 1.559 20.379 ( -3.297 -1.904 -0.403) 3.829 20.493 ( -1.116 -0.644 -0.960) 1.607 20.553 ( 0.950 0.549 -0.233) 1.122 24.730 ( 0.323 0.187 1.569) 1.613 24.811 ( -0.706 -0.408 0.298) 0.868 32.179 ( -0.385 -0.222 -0.365) 0.575 32.304 ( 0.904 0.522 -1.047) 1.479 42.567 ( 9.814 5.666 6.454) 13.041 43.022 ( 2.229 1.287 -8.479) 8.861 43.479 ( 11.446 6.608 11.249) 17.356 45.741 ( -3.877 -2.239 -30.332) 30.661 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.452 3.725 17.468) 18.991 2.507 ( 21.435 12.376 -11.896) 27.461 3.510 ( 9.956 5.748 4.886) 12.492 3.560 ( 21.704 12.531 -18.647) 31.238 4.011 ( -6.373 -3.680 -4.277) 8.512 4.327 ( -1.322 -0.763 14.895) 14.973 4.613 ( 15.673 9.049 19.489) 26.596 5.236 ( -4.206 -2.428 -6.018) 7.733 5.691 ( 27.475 15.863 -3.115) 31.878 6.332 ( -9.652 -5.572 -18.910) 21.950 6.791 ( -17.405 -10.049 30.173) 36.254 6.950 ( -13.531 -7.812 -11.512) 19.407 8.021 ( -1.169 -0.675 7.939) 8.053 8.623 ( 4.105 2.370 -0.377) 4.755 8.901 ( -2.932 -1.693 3.616) 4.954 9.035 ( -0.454 -0.262 0.406) 0.664 9.334 ( -3.025 -1.746 -0.836) 3.592 9.770 ( -13.498 -7.793 -12.052) 19.702 20.308 ( -2.705 -1.562 -0.428) 3.153 20.336 ( -1.915 -1.106 1.003) 2.428 20.474 ( 0.283 0.163 -1.375) 1.413 20.563 ( -0.013 -0.007 0.084) 0.085 24.745 ( 0.459 0.265 0.839) 0.992 24.796 ( -0.691 -0.399 0.183) 0.819 32.181 ( 0.774 0.447 -0.443) 0.997 32.308 ( -0.102 -0.059 -0.909) 0.916 42.788 ( 6.829 3.943 6.845) 10.442 43.032 ( 2.428 1.402 -9.141) 9.561 43.837 ( 14.334 8.276 16.532) 23.394 45.463 ( -8.383 -4.840 -26.357) 28.079 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 8.769 5.063 17.268) 20.018 2.650 ( -5.196 -3.000 -11.548) 13.014 3.570 ( 9.810 5.664 -15.530) 19.222 3.937 ( 13.727 7.925 -10.863) 19.216 4.250 ( -3.507 -2.025 12.534) 13.172 4.412 ( 27.663 15.971 22.887) 39.295 5.002 ( -12.960 -7.483 -6.133) 16.173 5.114 ( 19.330 11.160 12.117) 25.397 5.968 ( -15.148 -8.746 -9.737) 20.019 6.140 ( 7.493 4.326 -8.294) 11.985 6.310 ( -25.704 -14.840 -16.049) 33.742 6.620 ( -10.735 -6.198 18.483) 22.254 8.258 ( 14.974 8.645 9.825) 19.887 8.723 ( 3.839 2.216 1.150) 4.579 8.870 ( -0.541 -0.312 -1.246) 1.394 8.951 ( -7.430 -4.290 0.937) 8.631 9.281 ( -0.237 -0.137 -3.113) 3.125 9.488 ( -8.746 -5.050 -5.446) 11.474 20.261 ( -1.148 -0.663 -0.403) 1.386 20.290 ( -2.212 -1.277 0.509) 2.604 20.492 ( 1.659 0.958 -1.150) 2.234 20.553 ( -0.998 -0.576 0.512) 1.261 24.758 ( 0.481 0.277 0.394) 0.680 24.783 ( -0.597 -0.345 0.049) 0.691 32.209 ( 1.760 1.016 -0.280) 2.052 32.289 ( -1.251 -0.722 -0.534) 1.540 42.934 ( 3.203 1.849 7.471) 8.336 43.034 ( 1.678 0.969 -8.950) 9.157 44.262 ( 15.234 8.795 20.509) 27.020 45.111 ( -11.841 -6.836 -24.577) 28.124 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -13.001 -7.506 -14.352) 20.769 2.335 ( 13.001 7.506 14.352) 20.769 3.829 ( 16.188 9.346 -14.306) 23.538 3.829 ( -16.188 -9.346 14.306) 23.538 4.548 ( -21.068 -12.164 8.996) 25.938 4.548 ( 21.068 12.164 -8.996) 25.938 5.324 ( -36.654 -21.162 -16.492) 45.424 5.324 ( 36.654 21.162 16.492) 45.424 5.576 ( -15.247 -8.803 -9.325) 19.923 5.576 ( 15.247 8.803 9.325) 19.923 6.451 ( 11.677 6.741 -11.157) 17.501 6.451 ( -11.677 -6.741 11.157) 17.501 8.638 ( -12.536 -7.238 -8.393) 16.732 8.638 ( 12.536 7.238 8.393) 16.732 8.851 ( 0.720 0.416 -6.956) 7.005 8.851 ( -0.720 -0.416 6.956) 7.005 9.320 ( -4.985 -2.878 0.827) 5.816 9.320 ( 4.985 2.878 -0.827) 5.816 20.256 ( -0.816 -0.471 0.353) 1.006 20.256 ( 0.816 0.471 -0.353) 1.006 20.526 ( -1.684 -0.972 0.880) 2.134 20.526 ( 1.684 0.972 -0.880) 2.134 24.770 ( -0.511 -0.295 -0.122) 0.602 24.770 ( 0.511 0.295 0.122) 0.602 32.251 ( -1.948 -1.125 -0.084) 2.251 32.251 ( 1.948 1.125 0.084) 2.251 43.010 ( -0.226 -0.131 -8.281) 8.285 43.010 ( 0.226 0.131 8.281) 8.285 44.701 ( -14.224 -8.212 -22.999) 28.261 44.701 ( 14.224 8.212 22.999) 28.261 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.000 33.092 12.102) 35.235 0.911 ( -0.000 33.459 27.236) 43.143 1.380 ( -0.000 60.553 11.545) 61.644 3.058 ( -0.000 1.043 1.055) 1.484 3.159 ( -0.000 1.699 7.504) 7.694 3.696 ( -0.000 3.176 14.792) 15.130 4.715 ( 0.000 -0.264 -2.856) 2.868 4.849 ( -0.000 9.908 0.675) 9.931 5.206 ( 0.000 -6.419 -2.512) 6.893 6.491 ( 0.000 -5.130 -8.963) 10.327 6.895 ( 0.000 5.459 -10.372) 11.721 8.116 ( 0.000 -19.120 -3.678) 19.470 8.353 ( 0.000 -3.510 -1.191) 3.707 8.525 ( 0.000 0.979 -10.529) 10.574 8.748 ( 0.000 7.792 -1.333) 7.905 8.885 ( 0.000 3.584 -5.623) 6.668 9.481 ( -0.000 -1.522 15.054) 15.131 11.427 ( -0.000 -18.861 19.934) 27.443 20.423 ( -0.000 -2.689 0.026) 2.689 20.478 ( 0.000 0.174 -2.542) 2.548 20.508 ( -0.000 -0.383 0.149) 0.411 20.508 ( 0.000 1.118 -0.270) 1.150 24.749 ( -0.000 -5.330 10.470) 11.749 24.834 ( -0.000 -0.399 0.459) 0.609 32.220 ( -0.000 -0.842 0.078) 0.845 32.256 ( 0.000 1.021 -0.832) 1.317 42.075 ( 0.000 5.237 -1.043) 5.339 43.021 ( 0.000 2.137 -4.335) 4.833 43.058 ( -0.000 2.987 1.397) 3.297 45.588 ( 0.000 58.541 -113.530) 127.735 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -5.243 22.877 25.193) 34.431 1.341 ( 7.388 40.623 0.417) 41.291 2.431 ( 37.331 37.385 9.482) 53.676 3.102 ( 1.576 3.634 -0.584) 4.004 3.180 ( 0.304 6.098 9.967) 11.689 3.939 ( 12.217 11.276 14.136) 21.823 4.701 ( -1.498 -2.633 -1.016) 3.195 4.982 ( -0.647 13.039 -1.571) 13.150 5.093 ( 0.250 -8.098 -2.059) 8.359 6.435 ( 5.756 -9.325 -10.734) 15.340 6.907 ( 1.938 3.453 -9.987) 10.743 7.846 ( -10.826 -16.695 -0.706) 19.911 8.198 ( -2.327 -9.580 3.035) 10.315 8.608 ( 4.490 3.920 -11.541) 12.990 8.816 ( 2.268 6.123 -0.129) 6.531 8.943 ( 4.665 0.354 0.065) 4.679 9.514 ( -2.263 -3.185 13.454) 14.010 11.074 ( -25.562 -15.661 6.734) 30.725 20.385 ( -0.881 -2.562 0.222) 2.718 20.464 ( -1.068 -2.068 -0.793) 2.459 20.508 ( 1.072 0.913 -1.095) 1.784 20.522 ( 0.165 0.315 -0.216) 0.416 24.739 ( -0.891 -1.758 5.064) 5.434 24.829 ( -0.324 -0.582 0.544) 0.860 32.205 ( -0.709 -0.893 0.047) 1.141 32.270 ( 0.797 1.324 -1.235) 1.979 42.224 ( 9.439 5.944 1.673) 11.279 43.003 ( -1.014 2.953 -6.520) 7.229 43.165 ( 6.541 4.331 3.397) 8.549 45.670 ( 7.220 22.342 -61.376) 65.714 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 11.202 11.680 19.339) 25.217 1.862 ( 11.016 32.404 1.231) 34.247 3.015 ( 10.282 13.617 -10.780) 20.183 3.158 ( 5.375 2.806 2.072) 6.407 3.676 ( 26.286 18.932 16.400) 36.309 4.440 ( 19.166 8.518 6.871) 22.070 4.483 ( -11.540 -7.584 1.301) 13.870 4.969 ( -3.088 6.351 0.699) 7.096 5.219 ( 7.145 10.784 -0.259) 12.939 6.372 ( 5.019 -10.227 -13.806) 17.899 6.911 ( 2.681 -1.465 -11.997) 12.379 7.498 ( -15.709 -11.941 13.175) 23.726 8.121 ( 1.658 -11.486 5.076) 12.667 8.625 ( -1.635 7.504 -9.440) 12.169 8.911 ( 2.995 0.633 2.847) 4.181 9.024 ( 2.775 1.708 1.884) 3.764 9.479 ( -3.964 -3.046 7.220) 8.781 10.440 ( -30.073 -16.962 -3.477) 34.702 20.357 ( 0.083 -2.305 0.496) 2.359 20.405 ( -2.721 -2.405 0.089) 3.632 20.506 ( -1.342 -0.166 -0.894) 1.621 20.538 ( 1.526 0.701 -1.097) 2.006 24.739 ( -0.211 -0.428 2.505) 2.550 24.818 ( -0.552 -0.670 0.452) 0.979 32.185 ( -0.731 -0.457 -0.107) 0.869 32.292 ( 0.906 1.297 -1.451) 2.147 42.478 ( 11.319 5.978 4.278) 13.497 42.988 ( -0.037 3.736 -8.546) 9.327 43.390 ( 11.509 5.526 7.834) 14.979 45.614 ( -0.710 7.385 -39.206) 39.902 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 10.372 5.353 21.631) 24.579 2.315 ( 12.775 20.861 -3.022) 24.648 3.237 ( 12.143 7.270 -7.655) 16.091 3.432 ( 17.262 13.141 -1.150) 21.725 3.985 ( -14.549 -19.458 -11.404) 26.839 4.306 ( 20.486 13.082 12.291) 27.238 4.789 ( -5.889 8.746 14.094) 17.601 5.093 ( 12.174 -1.595 -4.618) 13.117 5.543 ( 12.500 23.621 1.720) 26.780 6.262 ( 0.282 -6.506 -15.927) 17.207 6.769 ( -5.299 -18.173 -4.287) 19.409 7.287 ( -11.891 -0.579 15.165) 19.280 8.069 ( -1.255 -5.070 8.345) 9.845 8.625 ( -1.296 6.540 -6.125) 9.053 8.924 ( -1.484 -5.381 6.857) 8.842 9.075 ( -0.682 3.377 -0.246) 3.454 9.410 ( -5.092 -0.103 1.798) 5.401 9.815 ( -18.104 -17.508 -8.413) 26.553 20.329 ( -1.832 -2.683 -0.541) 3.294 20.351 ( -1.053 -1.280 1.483) 2.224 20.471 ( -1.289 -0.373 -1.406) 1.943 20.558 ( 0.825 0.163 -0.764) 1.136 24.746 ( 0.172 0.008 1.270) 1.282 24.804 ( -0.625 -0.638 0.268) 0.933 32.177 ( 0.059 0.398 -0.211) 0.454 32.306 ( 0.268 0.878 -1.350) 1.632 42.729 ( 9.267 4.534 5.459) 11.672 42.989 ( 0.706 4.235 -9.263) 10.210 43.730 ( 15.817 6.623 12.918) 21.469 45.415 ( -6.615 0.378 -30.294) 31.010 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 5.905 4.809 22.912) 24.145 2.615 ( 5.589 7.419 -7.884) 12.184 3.343 ( 2.467 -8.191 -12.556) 15.193 3.720 ( 10.703 6.281 -13.180) 18.103 3.943 ( 24.594 3.523 9.546) 26.616 4.699 ( -3.516 20.027 9.555) 22.467 4.834 ( 10.622 -7.477 5.328) 14.040 5.184 ( 1.860 7.897 0.126) 8.114 5.902 ( 8.406 1.021 -11.193) 14.035 6.153 ( -2.864 11.143 -5.329) 12.680 6.345 ( -16.907 -27.124 -4.144) 32.229 7.078 ( -23.582 0.653 14.593) 27.740 8.176 ( 9.368 7.115 9.495) 15.118 8.660 ( 3.311 0.603 -0.623) 3.423 8.861 ( -1.776 -5.793 2.718) 6.641 9.035 ( -5.731 -1.664 -0.101) 5.968 9.321 ( -5.855 1.239 -1.001) 6.068 9.475 ( -2.717 -10.959 -6.795) 13.178 20.274 ( -1.616 -1.508 -0.231) 2.222 20.319 ( -2.241 -1.347 0.670) 2.699 20.463 ( 1.346 0.131 -1.163) 1.784 20.559 ( -0.137 -0.629 -0.237) 0.686 24.756 ( 0.332 0.144 0.593) 0.695 24.789 ( -0.583 -0.526 0.089) 0.790 32.194 ( 1.135 1.293 -0.141) 1.726 32.301 ( -0.811 0.214 -0.955) 1.271 42.917 ( 5.752 2.607 5.287) 8.236 42.997 ( 0.632 3.952 -7.806) 8.772 44.157 ( 17.984 7.179 16.833) 25.657 45.110 ( -10.684 -3.967 -26.317) 28.679 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 8.311 6.586 18.538) 21.357 2.445 ( -15.098 -6.839 -9.722) 19.215 3.433 ( 21.299 -1.233 -17.213) 27.412 3.863 ( 3.176 -13.827 7.074) 15.853 4.351 ( 14.578 14.012 -4.377) 20.688 4.719 ( -5.124 -11.695 -6.086) 14.145 5.113 ( 17.424 22.908 17.176) 33.517 5.441 ( 9.446 8.468 -0.529) 12.697 5.640 ( -25.075 -15.076 -6.392) 29.948 5.736 ( -13.430 -7.257 -11.719) 19.245 6.358 ( 6.409 14.347 -2.309) 15.882 6.758 ( -21.346 -2.395 16.981) 27.381 8.527 ( 15.117 9.401 5.934) 18.765 8.702 ( -1.988 -1.846 -3.248) 4.232 8.769 ( -0.336 -7.732 -2.376) 8.096 8.871 ( -5.253 -9.752 5.701) 12.457 9.286 ( 0.764 3.435 -2.931) 4.579 9.358 ( -2.240 -2.890 -1.753) 4.055 20.250 ( -0.059 -0.112 -0.321) 0.345 20.273 ( -1.742 -0.904 0.397) 2.002 20.495 ( 2.278 0.547 -0.836) 2.488 20.540 ( -0.939 -1.416 0.329) 1.730 24.766 ( 0.417 0.183 0.213) 0.503 24.775 ( -0.526 -0.407 -0.062) 0.668 32.234 ( 1.736 1.769 0.065) 2.479 32.274 ( -1.791 -0.398 -0.409) 1.880 42.981 ( 0.052 2.243 -7.761) 8.079 43.046 ( 1.703 1.778 7.259) 7.665 44.615 ( 17.483 6.775 18.074) 26.043 44.733 ( -12.959 -6.625 -23.036) 27.249 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -13.579 -6.306 -12.089) 19.244 2.624 ( 10.601 6.968 13.365) 18.427 3.631 ( 4.979 -17.151 -4.687) 18.464 3.698 ( 5.332 -12.408 1.079) 13.549 4.397 ( -18.656 -7.260 -0.385) 20.022 4.682 ( 6.083 15.054 -16.667) 23.269 4.897 ( -19.591 -10.433 -5.365) 22.835 5.368 ( -18.591 -0.440 -8.253) 20.346 5.763 ( 22.016 8.103 6.376) 24.311 5.919 ( 23.222 9.741 13.203) 28.434 6.466 ( -17.539 -4.202 11.234) 21.248 6.614 ( 5.551 20.299 -0.813) 21.060 8.399 ( -16.908 -7.719 -10.609) 21.401 8.705 ( 0.007 -6.972 -2.080) 7.276 8.820 ( 6.725 -4.639 2.177) 8.455 8.867 ( 7.491 4.994 6.054) 10.850 9.301 ( 0.161 -0.058 -0.763) 0.782 9.393 ( 6.082 2.574 2.840) 7.189 20.250 ( 0.490 -0.199 -0.375) 0.648 20.272 ( 1.203 1.105 0.337) 1.668 20.507 ( -1.172 -1.772 0.681) 2.231 20.533 ( 1.774 0.582 -0.502) 1.933 24.762 ( -0.538 -0.334 -0.227) 0.673 24.776 ( 0.523 0.209 0.011) 0.563 32.234 ( -2.086 -0.675 0.008) 2.193 32.281 ( 1.443 1.650 0.407) 2.230 42.936 ( -2.505 0.260 -6.809) 7.259 43.107 ( -0.943 1.388 8.492) 8.656 44.312 ( -14.194 -8.550 -21.540) 27.176 45.059 ( 15.788 6.371 19.593) 25.957 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -9.277 -5.058 -12.131) 16.087 2.753 ( -9.009 -5.618 9.868) 14.495 3.437 ( -1.309 -16.649 -2.054) 16.826 3.725 ( 13.852 -11.322 -1.748) 17.976 3.999 ( -23.983 -1.569 8.178) 25.388 4.518 ( -15.121 18.386 -14.180) 27.709 4.703 ( -10.286 -11.491 -11.667) 19.338 5.212 ( -0.080 3.396 3.218) 4.679 6.032 ( -14.542 -5.914 6.581) 17.022 6.258 ( 10.388 9.081 -1.133) 13.844 6.328 ( 16.244 -8.607 5.113) 19.081 7.002 ( 9.194 23.306 2.686) 25.197 8.025 ( -9.976 -4.839 -10.482) 15.258 8.655 ( 0.137 -0.877 -1.197) 1.490 8.839 ( 2.128 -3.331 -0.058) 3.953 9.043 ( 3.011 5.111 1.088) 6.030 9.334 ( 1.690 2.972 0.341) 3.436 9.588 ( 15.210 -2.927 8.408) 17.624 20.275 ( 2.396 0.486 -0.194) 2.453 20.311 ( 1.742 0.964 -0.254) 2.007 20.481 ( -0.482 -0.985 1.193) 1.620 20.558 ( 0.825 0.360 -0.349) 0.966 24.748 ( -0.627 -0.306 -0.443) 0.827 24.787 ( 0.651 0.227 -0.095) 0.695 32.198 ( -1.499 -0.498 0.308) 1.610 32.313 ( 0.472 1.070 0.614) 1.321 42.830 ( -5.666 -1.899 -5.603) 8.192 43.129 ( -3.215 1.631 9.095) 9.784 43.895 ( -13.484 -8.829 -18.118) 24.249 45.452 ( 13.003 5.361 18.937) 23.589 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.677 -8.239 -8.326) 14.577 2.391 ( -24.837 -10.162 6.361) 27.579 3.220 ( -4.403 -9.960 -2.588) 11.193 3.579 ( -22.488 -3.405 10.172) 24.915 4.097 ( -0.362 -3.316 -0.845) 3.441 4.140 ( -1.706 -4.423 -5.951) 7.608 4.546 ( -9.739 17.983 -16.513) 26.285 5.184 ( -5.106 -13.625 7.247) 16.255 5.544 ( -28.716 -2.692 2.276) 28.932 6.442 ( 7.864 -8.477 0.964) 11.603 6.713 ( 25.676 9.763 -2.093) 27.549 7.182 ( -2.881 6.894 -1.972) 7.728 7.962 ( 8.119 -2.428 -5.591) 10.152 8.678 ( -1.996 7.572 0.754) 7.867 8.851 ( 3.623 -2.160 -2.663) 4.989 9.074 ( -3.593 2.856 -0.002) 4.590 9.387 ( 0.504 3.639 -1.166) 3.854 9.971 ( 26.296 0.155 12.133) 28.961 20.328 ( 2.570 0.518 -1.369) 2.958 20.340 ( 2.387 -0.152 0.716) 2.497 20.490 ( 0.753 0.793 1.081) 1.538 20.563 ( -0.323 -0.059 -0.166) 0.367 24.731 ( -0.724 -0.273 -0.693) 1.039 24.801 ( 0.739 0.210 -0.146) 0.782 32.181 ( -0.330 -0.093 0.336) 0.480 32.321 ( -0.693 0.382 0.651) 1.024 42.653 ( -9.365 -3.368 -4.661) 10.990 43.126 ( -4.502 1.935 9.052) 10.293 43.532 ( -10.754 -7.484 -13.583) 18.872 45.779 ( 9.921 4.044 17.487) 20.508 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -14.256 -12.448 -2.091) 19.041 1.886 ( -31.480 -1.228 4.433) 31.814 3.107 ( -3.534 -2.306 2.987) 5.170 3.247 ( -22.891 -2.471 10.320) 25.231 3.434 ( -33.554 -9.862 -16.410) 38.632 4.217 ( -24.912 3.139 -11.454) 27.598 4.574 ( 16.427 -3.788 4.817) 17.533 4.979 ( -4.061 2.720 1.571) 5.134 5.228 ( -11.643 -3.451 0.819) 12.171 6.477 ( 4.717 -4.497 -1.508) 6.689 7.023 ( 0.135 -0.892 2.986) 3.119 7.367 ( 22.773 11.583 -2.787) 25.701 8.057 ( 11.051 -7.975 -3.017) 13.958 8.715 ( -3.579 8.145 1.513) 9.025 8.875 ( 1.729 -2.118 -1.319) 3.036 9.003 ( -5.659 0.544 -0.861) 5.750 9.405 ( -0.120 1.354 -2.313) 2.683 10.528 ( 28.708 4.873 8.286) 30.274 20.349 ( 1.890 -0.520 -0.552) 2.037 20.407 ( 3.822 0.596 0.241) 3.876 20.516 ( 0.527 0.942 0.428) 1.161 20.546 ( -1.264 -0.353 -0.080) 1.315 24.712 ( -0.755 -0.184 -0.826) 1.134 24.814 ( 0.724 0.137 -0.130) 0.748 32.187 ( 0.720 0.154 0.166) 0.755 32.306 ( -1.489 -0.055 0.432) 1.551 42.422 ( -11.539 -3.076 -3.156) 12.352 43.109 ( -4.680 1.960 7.475) 9.035 43.268 ( -7.270 -4.808 -8.487) 12.166 46.033 ( 7.283 2.386 14.230) 16.163 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -21.160 -0.000 0.000) 21.160 1.340 ( -36.717 -0.000 0.000) 36.717 2.366 ( -64.071 -0.000 0.000) 64.071 3.101 ( -1.615 -0.000 0.000) 1.615 3.120 ( -5.772 -0.000 0.000) 5.772 3.809 ( -17.436 -0.000 0.000) 17.436 4.714 ( 3.402 0.000 -0.000) 3.402 4.993 ( -12.116 -0.000 0.000) 12.116 5.109 ( 8.881 0.000 -0.000) 8.881 6.517 ( 3.372 0.000 -0.000) 3.372 6.986 ( -2.746 -0.000 0.000) 2.746 7.849 ( 24.437 0.000 -0.000) 24.437 8.173 ( 10.258 0.000 -0.000) 10.258 8.715 ( -3.507 -0.000 0.000) 3.507 8.814 ( -5.955 -0.000 0.000) 5.955 8.942 ( -1.154 -0.000 0.000) 1.154 9.399 ( -0.110 -0.000 0.000) 0.110 11.013 ( 22.102 0.000 -0.000) 22.102 20.384 ( 2.645 0.000 -0.000) 2.645 20.469 ( 3.082 0.000 -0.000) 3.082 20.518 ( -1.612 -0.000 0.000) 1.612 20.523 ( -0.442 -0.000 0.000) 0.442 24.696 ( -0.681 -0.000 0.000) 0.681 24.825 ( 0.581 0.000 -0.000) 0.581 32.205 ( 1.115 0.000 -0.000) 1.115 32.280 ( -1.559 -0.000 0.000) 1.559 42.211 ( -10.057 -0.000 0.000) 10.057 43.075 ( -3.489 -0.000 0.000) 3.489 43.117 ( -4.981 -0.000 0.000) 4.981 46.196 ( 5.423 0.000 -0.000) 5.423 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -0.000 24.355 18.179) 30.392 1.820 ( -0.000 33.658 24.829) 41.825 2.437 ( 0.000 41.721 -2.498) 41.796 3.134 ( 0.000 8.603 -1.478) 8.729 3.305 ( -0.000 2.712 12.400) 12.693 3.953 ( -0.000 6.444 6.572) 9.204 4.821 ( -0.000 16.325 8.213) 18.274 4.925 ( 0.000 -16.777 -3.629) 17.165 5.116 ( 0.000 13.305 -2.323) 13.507 6.196 ( 0.000 -9.964 -19.787) 22.155 6.874 ( 0.000 2.685 -10.460) 10.799 7.720 ( -0.000 -19.148 1.294) 19.192 8.260 ( -0.000 -5.802 1.188) 5.922 8.442 ( 0.000 0.494 -7.241) 7.257 8.872 ( 0.000 7.198 -3.156) 7.860 8.896 ( -0.000 0.205 0.405) 0.454 9.560 ( -0.000 -5.954 13.529) 14.781 11.191 ( -0.000 -20.845 10.362) 23.278 20.373 ( 0.000 -2.409 -0.098) 2.411 20.436 ( 0.000 -2.039 -1.614) 2.601 20.509 ( 0.000 0.372 -0.537) 0.653 20.516 ( 0.000 0.139 -0.253) 0.289 24.750 ( -0.000 -2.153 4.386) 4.886 24.828 ( -0.000 -0.816 0.623) 1.027 32.203 ( -0.000 -0.824 0.219) 0.853 32.269 ( 0.000 1.428 -1.523) 2.088 42.200 ( 0.000 8.866 -1.961) 9.081 43.019 ( 0.000 3.611 -7.047) 7.919 43.158 ( -0.000 5.121 2.441) 5.673 45.587 ( 0.000 26.128 -51.410) 57.668 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -9.603 16.975 28.758) 34.747 2.130 ( -3.701 35.136 9.603) 36.613 2.943 ( 13.160 19.202 -11.534) 25.980 3.208 ( -5.387 6.213 4.198) 9.233 3.527 ( 19.255 15.365 12.641) 27.688 4.152 ( 16.755 -0.907 -2.272) 16.932 4.577 ( -11.221 -18.292 -6.328) 22.373 5.171 ( -1.422 19.695 11.399) 22.800 5.255 ( 5.873 19.316 3.579) 20.504 6.063 ( 7.327 -10.708 -18.761) 22.811 6.830 ( -0.877 0.917 -14.320) 14.376 7.540 ( -2.587 -17.761 7.033) 19.278 8.107 ( -6.009 -5.473 6.399) 10.344 8.554 ( 9.266 1.344 -7.679) 12.110 8.908 ( 0.990 0.836 2.176) 2.532 8.957 ( 4.268 3.731 -2.631) 6.249 9.526 ( -2.851 -7.216 8.808) 11.738 10.794 ( -26.131 -19.895 6.328) 33.447 20.337 ( -0.802 -2.565 -0.148) 2.691 20.416 ( -0.360 -2.360 0.136) 2.391 20.507 ( 0.813 0.402 -1.700) 1.926 20.518 ( -0.280 -0.128 -0.469) 0.561 24.749 ( -0.240 -1.087 2.725) 2.944 24.820 ( -0.290 -0.943 0.521) 1.116 32.192 ( -0.619 -0.377 0.204) 0.753 32.282 ( 0.797 1.390 -1.723) 2.353 42.366 ( 9.507 8.123 -0.616) 12.520 43.001 ( -1.451 4.425 -8.192) 9.423 43.300 ( 8.450 5.357 4.497) 10.969 45.562 ( -2.263 15.463 -36.927) 40.098 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -2.230 13.898 28.695) 31.961 2.429 ( -0.122 19.745 8.602) 21.538 3.219 ( 0.038 5.408 4.648) 7.131 3.245 ( 14.584 19.045 -16.184) 28.936 3.992 ( -10.441 -15.264 -8.651) 20.417 4.142 ( 16.818 9.038 8.671) 20.970 4.535 ( 24.178 -9.084 -7.097) 26.785 5.211 ( -7.303 8.872 2.610) 11.784 5.646 ( 3.193 19.588 2.387) 19.990 6.098 ( 9.460 5.583 -1.504) 11.087 6.690 ( -5.199 -4.610 -17.041) 18.403 7.387 ( -2.037 -14.279 12.617) 19.163 8.071 ( 0.822 -2.512 10.223) 10.559 8.645 ( 3.400 3.555 -7.672) 9.113 8.924 ( -0.248 -4.350 5.729) 7.198 9.062 ( 4.598 3.749 -3.009) 6.652 9.430 ( -2.678 -7.168 1.301) 7.761 10.110 ( -34.034 -16.860 3.490) 38.142 20.304 ( 0.104 -3.050 -0.243) 3.062 20.379 ( -2.003 -1.260 1.566) 2.838 20.491 ( -1.863 -0.075 -1.572) 2.439 20.526 ( 1.882 -0.504 -1.509) 2.464 24.750 ( -0.014 -0.368 1.500) 1.544 24.807 ( -0.447 -0.905 0.306) 1.054 32.184 ( -0.380 0.404 0.128) 0.569 32.300 ( 0.732 1.182 -1.680) 2.181 42.618 ( 11.354 5.642 1.494) 12.767 42.988 ( -0.465 5.256 -9.203) 10.608 43.579 ( 14.887 5.296 8.600) 17.989 45.425 ( -7.835 6.927 -28.082) 29.967 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 2.049 8.458 27.903) 29.229 2.596 ( 2.147 9.121 0.415) 9.379 3.308 ( -8.107 -0.073 -6.092) 10.141 3.462 ( 9.866 -14.134 -0.816) 17.256 3.774 ( 12.825 22.032 -10.003) 27.385 4.585 ( 14.989 -2.014 6.549) 16.481 4.755 ( 16.177 -0.802 -7.228) 17.737 5.215 ( -0.851 7.929 0.820) 8.017 5.720 ( 3.639 -2.690 -10.686) 11.604 6.306 ( -8.927 4.482 -8.292) 12.982 6.455 ( -7.631 8.391 6.691) 13.169 7.318 ( -2.016 -9.163 10.436) 14.033 8.177 ( 4.503 4.296 11.691) 13.245 8.661 ( -0.794 1.721 -4.927) 5.279 8.855 ( -4.197 -8.060 6.461) 11.150 9.093 ( -3.310 -0.401 -4.236) 5.391 9.332 ( 1.787 -9.471 -3.885) 10.391 9.527 ( -19.710 -5.598 3.503) 20.787 20.272 ( -0.455 -2.583 -0.171) 2.628 20.347 ( -1.969 -0.886 1.578) 2.674 20.454 ( -0.994 0.255 -1.612) 1.911 20.538 ( 1.204 -1.131 -1.156) 2.016 24.755 ( 0.180 -0.050 0.740) 0.764 24.792 ( -0.466 -0.733 0.099) 0.874 32.193 ( 0.541 1.313 0.150) 1.428 32.308 ( -0.100 0.720 -1.359) 1.541 42.843 ( 8.848 3.238 2.754) 9.816 42.994 ( 0.366 5.170 -8.399) 9.870 43.972 ( 19.480 5.237 12.039) 23.491 45.163 ( -12.520 1.056 -23.312) 26.483 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 2.550 2.883 19.947) 20.315 2.580 ( -11.192 -6.008 -3.533) 13.185 3.099 ( 6.614 1.790 -12.699) 14.429 3.647 ( 11.024 -7.749 6.764) 15.077 4.220 ( 15.876 14.728 -1.948) 21.743 4.569 ( 2.396 -12.257 -4.976) 13.444 5.157 ( 17.956 14.414 2.367) 23.147 5.317 ( 5.114 6.252 -7.108) 10.759 5.656 ( 0.013 -11.468 -8.977) 14.564 5.927 ( -18.900 0.152 -8.260) 20.627 6.560 ( -7.940 19.443 8.860) 22.794 7.143 ( -16.111 -7.849 12.899) 22.080 8.394 ( 8.672 4.659 4.210) 10.707 8.650 ( 4.005 -4.904 2.898) 6.964 8.734 ( -3.275 -5.457 3.327) 7.181 8.906 ( -8.400 -9.286 -2.986) 12.872 9.306 ( 1.732 -0.266 -0.140) 1.758 9.352 ( -4.193 0.631 -2.573) 4.960 20.248 ( -0.152 -0.966 -0.006) 0.978 20.301 ( -2.569 -1.173 0.490) 2.866 20.461 ( 1.671 0.701 -0.760) 1.965 20.532 ( 0.128 -1.659 -0.554) 1.753 24.762 ( 0.297 0.067 0.300) 0.428 24.779 ( -0.439 -0.521 -0.040) 0.683 32.227 ( 1.406 1.926 0.244) 2.398 32.296 ( -1.213 0.133 -0.838) 1.480 42.970 ( 1.254 3.714 -5.198) 6.511 43.040 ( 4.286 2.164 2.518) 5.421 44.426 ( 20.860 4.891 13.094) 25.110 44.810 ( -15.277 -2.988 -19.895) 25.261 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -15.035 -9.106 -8.367) 19.468 2.566 ( 8.413 1.883 10.479) 13.570 3.281 ( 10.862 2.961 -8.853) 14.322 3.622 ( -2.186 -17.941 9.239) 20.298 4.411 ( 4.189 -7.362 -8.828) 12.234 4.571 ( 6.045 0.011 0.954) 6.119 5.180 ( -16.775 6.373 -19.557) 26.542 5.503 ( 0.955 1.549 -10.555) 10.711 5.650 ( 11.586 8.697 11.389) 18.428 5.792 ( 1.428 6.062 3.807) 7.300 6.663 ( -5.167 11.598 2.107) 12.871 6.893 ( -11.905 4.055 18.336) 22.234 8.482 ( -0.426 -11.163 -8.970) 14.327 8.588 ( -0.662 -1.245 -5.119) 5.310 8.661 ( -1.246 -15.104 5.673) 16.182 8.854 ( 5.632 7.311 9.167) 13.008 9.284 ( -1.429 -0.023 -4.294) 4.525 9.372 ( 2.883 2.324 1.689) 4.070 20.243 ( -0.207 -0.092 -0.829) 0.859 20.269 ( 0.076 -0.235 0.993) 1.024 20.499 ( 2.054 0.585 -0.556) 2.207 20.508 ( -0.433 -1.810 0.156) 1.868 24.767 ( -0.469 -0.350 -0.128) 0.599 24.770 ( 0.405 0.105 0.072) 0.425 32.262 ( -1.589 0.034 -0.472) 1.658 32.276 ( 1.181 1.596 0.501) 2.047 42.956 ( -2.144 2.131 -5.748) 6.495 43.149 ( 2.909 1.740 6.331) 7.181 44.393 ( -16.480 -5.534 -18.275) 25.223 44.894 ( 19.985 4.272 13.630) 24.565 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -12.280 -5.208 -7.776) 15.440 2.741 ( 6.046 -6.037 0.583) 8.564 3.307 ( -0.572 -4.223 -1.769) 4.614 3.486 ( 2.845 -11.495 5.224) 12.943 4.301 ( -8.166 -0.577 -2.763) 8.640 4.578 ( 1.800 -12.846 -1.781) 13.093 4.917 ( -18.064 16.734 -13.068) 27.876 5.374 ( -11.942 4.588 -3.740) 13.328 5.904 ( 13.758 7.394 -5.701) 16.627 6.045 ( 13.579 -7.503 14.277) 21.083 6.505 ( -15.100 -0.821 6.134) 16.319 7.136 ( 4.226 23.127 9.815) 25.476 8.128 ( -14.862 -8.142 -12.859) 21.273 8.579 ( 4.781 -3.952 0.909) 6.269 8.703 ( 10.400 -7.174 0.968) 12.672 9.035 ( 4.822 5.889 4.115) 8.653 9.272 ( 3.669 -1.699 -2.660) 4.839 9.446 ( 2.829 -0.373 3.422) 4.455 20.244 ( 1.220 0.081 -0.596) 1.360 20.292 ( 1.313 0.358 0.415) 1.423 20.485 ( -0.452 -0.855 0.750) 1.225 20.536 ( 1.804 0.105 -0.443) 1.861 24.754 ( -0.602 -0.239 -0.194) 0.676 24.779 ( 0.542 0.111 -0.026) 0.554 32.224 ( -2.019 -0.362 -0.026) 2.052 32.316 ( 1.009 1.351 0.445) 1.744 42.886 ( -4.733 0.139 -3.858) 6.108 43.228 ( -0.011 2.574 7.521) 7.949 43.974 ( -16.210 -6.693 -15.297) 23.271 45.312 ( 17.901 3.475 11.388) 21.499 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -11.174 -3.021 -4.378) 12.375 2.584 ( -10.258 -10.386 -0.835) 14.621 3.219 ( -5.310 -2.753 -0.375) 5.993 3.676 ( 19.599 -0.193 3.957) 19.995 4.076 ( -17.690 2.256 3.672) 18.207 4.336 ( -16.117 -9.378 -6.639) 19.793 4.798 ( -7.649 14.221 -8.603) 18.296 5.208 ( -8.425 -5.574 3.737) 10.772 6.010 ( -21.635 -1.098 2.041) 21.758 6.179 ( 13.153 -2.784 -1.656) 13.546 6.450 ( 13.290 3.316 3.882) 14.237 7.303 ( -5.746 5.861 2.019) 8.453 7.873 ( -2.555 -1.770 -6.045) 6.797 8.687 ( 6.758 2.605 -0.182) 7.245 8.786 ( 3.245 -1.290 0.103) 3.494 9.153 ( -1.163 4.370 0.466) 4.546 9.403 ( 7.181 6.884 -4.175) 10.788 9.530 ( 18.661 -10.845 8.189) 23.085 20.280 ( 3.004 0.572 -0.570) 3.111 20.310 ( 0.850 -0.694 0.219) 1.119 20.491 ( 0.659 0.576 0.780) 1.173 20.556 ( 0.838 -0.251 -0.300) 0.925 24.740 ( -0.783 -0.142 -0.204) 0.822 24.790 ( 0.674 0.079 -0.046) 0.680 32.194 ( -1.231 -0.168 0.108) 1.247 32.336 ( -0.038 0.569 0.306) 0.647 42.763 ( -7.863 -0.850 -2.108) 8.185 43.273 ( -2.808 3.498 8.331) 9.462 43.591 ( -13.772 -6.135 -11.771) 19.128 45.661 ( 14.946 2.111 7.227) 16.736 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -12.863 -0.000 0.000) 12.863 2.292 ( -18.885 -0.000 0.000) 18.885 3.135 ( -2.598 -0.000 0.000) 2.598 3.634 ( -21.480 -0.000 0.000) 21.480 3.888 ( -28.333 -0.000 0.000) 28.333 4.203 ( 24.164 0.000 -0.000) 24.164 4.667 ( -19.914 -0.000 0.000) 19.914 5.045 ( -5.867 -0.000 0.000) 5.867 5.536 ( -26.814 -0.000 0.000) 26.814 6.338 ( 8.575 0.000 -0.000) 8.575 6.833 ( 23.226 0.000 -0.000) 23.226 7.232 ( -2.183 -0.000 0.000) 2.183 7.880 ( 4.975 0.000 -0.000) 4.975 8.792 ( -1.182 -0.000 0.000) 1.182 8.805 ( 5.162 0.000 -0.000) 5.162 9.105 ( -5.629 -0.000 0.000) 5.629 9.427 ( -1.615 -0.000 0.000) 1.615 10.027 ( 34.560 0.000 -0.000) 34.560 20.319 ( 1.074 0.000 -0.000) 1.074 20.343 ( 3.993 0.000 -0.000) 3.993 20.512 ( 0.891 0.000 -0.000) 0.891 20.557 ( -0.317 -0.000 0.000) 0.317 24.724 ( -0.899 -0.000 0.000) 0.899 24.802 ( 0.749 0.000 -0.000) 0.749 32.182 ( -0.122 -0.000 0.000) 0.122 32.330 ( -1.021 -0.000 0.000) 1.021 42.593 ( -10.923 -0.000 0.000) 10.923 43.281 ( -3.736 -0.000 0.000) 3.736 43.299 ( -10.882 -0.000 0.000) 10.882 45.914 ( 11.718 0.000 -0.000) 11.718 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.000 11.093 26.249) 28.497 2.652 ( -0.000 26.568 20.515) 33.567 2.895 ( 0.000 19.255 -19.621) 27.491 3.443 ( -0.000 22.595 3.029) 22.797 3.482 ( -0.000 2.364 11.749) 11.984 3.933 ( 0.000 -4.311 -7.172) 8.368 4.392 ( 0.000 -27.576 -11.992) 30.071 5.310 ( 0.000 6.274 -5.678) 8.462 5.607 ( -0.000 42.661 23.080) 48.504 5.827 ( 0.000 -5.377 -15.259) 16.178 6.788 ( 0.000 1.268 -13.926) 13.983 7.410 ( -0.000 -17.177 5.274) 17.968 8.150 ( -0.000 -9.474 5.495) 10.952 8.424 ( 0.000 2.527 -1.612) 2.997 8.908 ( -0.000 0.207 1.782) 1.794 8.961 ( 0.000 5.930 -4.495) 7.441 9.513 ( -0.000 -9.396 7.261) 11.874 10.841 ( -0.000 -23.768 5.980) 24.509 20.328 ( 0.000 -2.154 -0.347) 2.182 20.378 ( 0.000 -2.705 -0.581) 2.767 20.504 ( 0.000 0.112 -1.383) 1.388 20.517 ( -0.000 0.255 0.062) 0.262 24.752 ( -0.000 -0.993 2.157) 2.375 24.815 ( -0.000 -1.114 0.444) 1.200 32.198 ( -0.000 0.068 0.406) 0.411 32.278 ( 0.000 1.130 -1.875) 2.190 42.362 ( 0.000 9.953 -2.562) 10.277 43.020 ( 0.000 3.895 -7.330) 8.301 43.293 ( -0.000 5.882 2.920) 6.567 45.572 ( 0.000 13.903 -29.341) 32.468 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -4.295 7.267 30.082) 31.244 2.753 ( -10.615 10.989 8.890) 17.677 3.074 ( 9.061 11.351 -15.494) 21.237 3.437 ( -6.753 14.578 1.191) 16.110 3.918 ( 14.638 9.670 5.065) 18.260 3.990 ( 5.021 -22.627 -14.250) 27.207 4.046 ( 8.687 0.795 -1.988) 8.947 5.289 ( -0.046 -1.468 -8.306) 8.435 5.734 ( -2.426 2.217 -5.573) 6.470 6.230 ( 8.094 41.616 20.689) 47.174 6.680 ( -5.512 0.873 -17.324) 18.201 7.281 ( 0.658 -17.248 7.714) 18.905 8.078 ( 0.576 -7.065 9.225) 11.634 8.522 ( 6.829 0.947 -2.038) 7.189 8.922 ( -0.061 0.011 1.841) 1.842 9.019 ( 3.203 4.947 -3.939) 7.088 9.415 ( -3.456 -10.095 3.058) 11.100 10.440 ( -21.798 -22.198 4.161) 31.388 20.284 ( -1.258 -2.525 -0.288) 2.836 20.378 ( 1.545 -2.053 0.535) 2.624 20.490 ( -0.236 -0.237 -1.953) 1.981 20.515 ( -0.896 0.378 -0.190) 0.990 24.753 ( -0.016 -0.543 1.384) 1.487 24.804 ( -0.207 -1.091 0.262) 1.141 32.198 ( -0.554 0.611 0.366) 0.902 32.287 ( 0.947 0.933 -1.773) 2.216 42.513 ( 7.829 8.069 -1.789) 11.384 43.009 ( -1.136 4.406 -7.611) 8.867 43.449 ( 9.762 5.106 4.740) 11.994 45.504 ( -6.314 8.872 -22.638) 25.121 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -2.746 4.905 28.946) 29.487 2.667 ( -2.182 -7.583 2.744) 8.354 3.239 ( 5.211 3.994 -5.473) 8.548 3.501 ( -12.964 3.906 -0.686) 13.557 3.722 ( 10.237 13.896 -12.691) 21.423 4.241 ( 21.822 -10.503 -7.475) 25.346 4.396 ( 14.810 5.639 2.303) 16.013 5.261 ( 2.582 1.476 -3.634) 4.695 5.675 ( -3.917 0.636 -4.832) 6.253 6.444 ( -12.230 1.141 -16.219) 20.345 6.801 ( 0.038 35.524 15.982) 38.954 7.188 ( 4.184 -16.910 8.511) 19.388 8.162 ( 7.992 -1.584 11.778) 14.322 8.589 ( 2.861 -2.518 -3.347) 5.073 8.916 ( -2.433 0.174 3.086) 3.934 9.093 ( 1.075 1.640 -5.349) 5.697 9.241 ( -4.092 -10.926 0.253) 11.670 9.853 ( -25.178 -14.167 3.475) 29.099 20.248 ( -0.122 -2.470 0.016) 2.473 20.376 ( -0.853 -0.994 1.748) 2.184 20.469 ( -0.737 -0.403 -2.804) 2.927 20.502 ( -0.016 -0.238 -0.439) 0.500 24.756 ( 0.094 -0.201 0.754) 0.786 24.791 ( -0.283 -0.883 0.076) 0.930 32.202 ( 0.001 1.148 0.315) 1.191 32.303 ( 0.732 0.740 -1.460) 1.793 42.724 ( 9.916 4.597 -0.130) 10.930 43.003 ( -0.347 4.891 -7.832) 9.240 43.752 ( 17.257 4.057 7.557) 19.271 45.305 ( -12.794 4.133 -17.948) 22.426 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -0.648 -11.562 8.297) 14.246 2.637 ( -2.212 -5.662 8.786) 10.684 3.150 ( -8.579 11.817 -4.789) 15.368 3.517 ( 4.334 1.703 10.384) 11.380 4.100 ( 13.106 13.704 -4.985) 19.607 4.364 ( 8.811 -9.346 -5.445) 13.952 4.696 ( 27.944 -3.545 -10.805) 30.170 5.390 ( 4.225 9.813 2.965) 11.088 5.553 ( -4.479 -3.289 -9.332) 10.861 6.175 ( -13.888 5.876 -11.945) 19.238 6.982 ( -10.496 11.274 16.454) 22.539 7.205 ( 0.087 -2.497 3.425) 4.240 8.387 ( 9.159 1.025 11.638) 14.845 8.511 ( -3.551 -9.264 -3.008) 10.367 8.828 ( -9.210 -3.460 3.508) 10.445 8.930 ( -4.223 -3.773 -4.466) 7.212 9.242 ( 4.706 0.064 0.551) 4.738 9.474 ( -11.634 -4.096 -0.273) 12.337 20.233 ( 0.528 -1.552 0.328) 1.672 20.340 ( -2.992 -1.088 0.692) 3.258 20.451 ( 0.197 0.652 -1.193) 1.374 20.501 ( 0.832 -1.202 -0.831) 1.681 24.760 ( 0.197 -0.032 0.338) 0.393 24.779 ( -0.287 -0.593 -0.038) 0.660 32.225 ( 1.023 1.530 0.341) 1.872 32.307 ( -0.294 0.391 -1.017) 1.128 42.916 ( 8.313 2.429 1.031) 8.722 43.010 ( 0.498 3.748 -6.123) 7.196 44.159 ( 21.790 3.328 8.659) 23.682 44.990 ( -17.505 0.385 -14.467) 22.713 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -6.485 -13.147 -5.455) 15.642 2.534 ( -2.655 -2.607 5.859) 6.940 3.290 ( 1.675 17.645 5.354) 18.515 3.562 ( -2.645 -7.630 7.042) 10.715 4.185 ( 5.410 -11.300 -8.605) 15.199 4.453 ( 6.347 -1.299 1.755) 6.712 5.159 ( 30.115 -1.074 -9.404) 31.567 5.392 ( -5.910 13.549 -17.052) 22.567 5.589 ( 6.449 1.913 7.479) 10.059 5.992 ( -12.282 6.882 -3.097) 14.415 7.006 ( -16.729 15.652 5.522) 23.566 7.067 ( -1.133 -9.187 11.796) 14.995 8.337 ( -2.534 -10.387 -2.011) 10.879 8.468 ( 2.803 -9.655 2.657) 10.399 8.717 ( -7.529 -1.761 -3.532) 8.500 8.911 ( 1.796 7.299 8.144) 11.083 9.306 ( -4.764 -2.496 -4.026) 6.718 9.334 ( 4.587 1.454 0.601) 4.849 20.239 ( 0.838 -0.040 0.224) 0.868 20.280 ( -2.307 -1.205 0.096) 2.604 20.471 ( 1.505 0.566 -0.387) 1.654 20.495 ( 0.253 -1.166 -0.396) 1.258 24.765 ( 0.292 0.030 0.108) 0.313 24.770 ( -0.320 -0.330 -0.076) 0.466 32.265 ( 1.610 1.470 0.294) 2.200 32.290 ( -1.381 0.008 -0.494) 1.466 42.985 ( -1.266 2.707 -4.075) 5.053 43.095 ( 7.287 0.847 2.338) 7.699 44.565 ( -2.614 1.347 -4.384) 5.279 44.643 ( 5.575 -0.748 0.864) 5.691 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -11.038 -5.678 -4.327) 13.145 2.576 ( 6.132 -2.039 -0.469) 6.479 3.382 ( -8.505 -0.347 4.609) 9.680 3.447 ( -3.279 -0.333 2.774) 4.308 4.171 ( 11.123 -6.678 -6.489) 14.506 4.497 ( 0.894 -4.724 1.251) 4.968 5.244 ( -9.275 7.026 -6.736) 13.445 5.554 ( -0.327 14.991 -12.319) 19.406 5.784 ( 15.493 -8.247 11.723) 21.106 5.849 ( -4.436 1.041 -0.559) 4.591 6.742 ( -14.647 -0.820 2.561) 14.892 7.312 ( 9.062 14.928 11.303) 20.802 8.141 ( -6.280 -12.041 -8.583) 16.065 8.475 ( 6.496 -5.911 1.719) 8.949 8.538 ( -5.804 -1.184 -0.862) 5.986 9.067 ( 1.747 5.992 6.601) 9.085 9.212 ( -0.234 -2.849 -5.016) 5.773 9.418 ( 3.265 0.790 0.862) 3.468 20.235 ( -0.636 0.019 -0.413) 0.758 20.274 ( 1.449 -0.153 0.486) 1.536 20.483 ( 0.160 -0.778 0.087) 0.799 20.505 ( 1.617 0.305 -0.231) 1.662 24.761 ( -0.448 -0.141 -0.066) 0.474 24.771 ( 0.411 0.036 0.012) 0.413 32.256 ( -2.113 -0.093 -0.170) 2.122 32.307 ( 1.588 0.817 0.238) 1.801 42.946 ( -3.466 0.818 -2.080) 4.124 43.226 ( 5.387 0.968 2.843) 6.167 44.183 ( -20.656 -2.328 -7.230) 22.008 45.042 ( 21.811 1.402 4.956) 22.411 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -10.542 -0.000 0.000) 10.542 2.615 ( -0.701 -0.000 0.000) 0.701 3.321 ( -5.480 -0.000 0.000) 5.480 3.399 ( 7.731 0.000 -0.000) 7.731 4.322 ( 7.655 0.000 -0.000) 7.655 4.382 ( -12.007 -0.000 0.000) 12.007 5.039 ( -15.740 -0.000 0.000) 15.740 5.401 ( -14.736 -0.000 0.000) 14.736 5.954 ( 11.343 0.000 -0.000) 11.343 6.019 ( 13.300 0.000 -0.000) 13.300 6.534 ( -12.665 -0.000 0.000) 12.665 7.490 ( -6.420 -0.000 0.000) 6.420 7.914 ( -6.382 -0.000 0.000) 6.382 8.573 ( 7.709 0.000 -0.000) 7.709 8.609 ( 13.877 0.000 -0.000) 13.877 9.157 ( 6.970 0.000 -0.000) 6.970 9.195 ( 0.580 0.000 -0.000) 0.580 9.457 ( 0.761 0.000 -0.000) 0.761 20.242 ( 1.517 0.000 -0.000) 1.517 20.295 ( 0.907 0.000 -0.000) 0.907 20.485 ( 0.456 0.000 -0.000) 0.456 20.532 ( 1.551 0.000 -0.000) 1.551 24.751 ( -0.639 -0.000 0.000) 0.639 24.780 ( 0.550 0.000 -0.000) 0.550 32.220 ( -1.980 -0.000 0.000) 1.980 32.333 ( 0.876 0.000 -0.000) 0.876 42.868 ( -5.659 -0.000 0.000) 5.659 43.309 ( 2.520 0.000 -0.000) 2.520 43.813 ( -19.200 -0.000 0.000) 19.200 45.404 ( 18.909 0.000 -0.000) 18.909 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -0.000 3.185 28.757) 28.933 2.855 ( 0.000 -25.161 -8.005) 26.404 2.918 ( 0.000 6.798 -22.468) 23.474 3.684 ( -0.000 11.106 10.132) 15.033 3.709 ( 0.000 -3.366 -5.812) 6.717 3.945 ( -0.000 -3.692 0.947) 3.811 4.019 ( 0.000 25.954 -0.507) 25.959 5.193 ( 0.000 -4.424 -9.948) 10.887 5.768 ( 0.000 2.808 -1.345) 3.114 6.599 ( 0.000 19.327 -11.003) 22.239 6.783 ( -0.000 28.885 17.929) 33.997 7.144 ( -0.000 -14.549 2.742) 14.805 7.993 ( -0.000 -13.973 8.630) 16.423 8.507 ( -0.000 4.999 3.253) 5.964 8.937 ( -0.000 1.308 0.049) 1.309 9.013 ( 0.000 4.394 -4.808) 6.514 9.359 ( -0.000 -10.611 1.569) 10.726 10.401 ( -0.000 -25.805 2.038) 25.885 20.283 ( 0.000 -1.998 -0.470) 2.052 20.326 ( -0.000 -2.296 0.039) 2.296 20.486 ( 0.000 -0.373 -1.526) 1.571 20.531 ( -0.000 0.977 0.336) 1.033 24.755 ( -0.000 -0.431 1.027) 1.114 24.796 ( -0.000 -1.086 0.148) 1.096 32.214 ( -0.000 0.956 0.500) 1.078 32.276 ( 0.000 0.546 -1.713) 1.798 42.517 ( 0.000 8.447 -2.574) 8.831 43.023 ( 0.000 2.957 -5.534) 6.275 43.430 ( -0.000 5.139 2.711) 5.810 45.541 ( 0.000 7.042 -17.274) 18.654 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -1.333 -33.607 -12.131) 35.754 2.607 ( -0.433 2.651 24.783) 24.928 3.083 ( 21.263 3.807 -16.699) 27.303 3.602 ( -3.245 -1.157 -7.464) 8.220 3.757 ( -6.429 6.185 4.047) 9.796 4.002 ( 2.782 5.438 4.059) 7.333 4.324 ( 5.873 15.435 1.138) 16.554 5.173 ( 4.900 1.568 -4.063) 6.556 5.745 ( -3.938 0.167 -1.521) 4.225 6.556 ( -5.893 6.124 -18.152) 20.044 7.002 ( 0.419 -12.874 4.889) 13.777 7.282 ( -1.453 37.262 20.261) 42.439 7.983 ( 9.553 -11.552 8.966) 17.467 8.581 ( -0.056 4.425 3.530) 5.661 8.943 ( 0.093 0.999 -1.851) 2.105 9.053 ( 2.420 2.794 -4.828) 6.081 9.220 ( -4.464 -10.865 0.227) 11.748 10.030 ( -14.438 -22.454 0.968) 26.713 20.239 ( -1.421 -1.832 -0.097) 2.320 20.346 ( 3.043 -1.643 0.396) 3.480 20.462 ( -1.307 -0.607 -1.707) 2.234 20.530 ( -1.459 1.002 0.181) 1.779 24.756 ( 0.051 -0.227 0.622) 0.664 24.786 ( -0.108 -0.874 0.030) 0.881 32.219 ( -0.557 1.017 0.320) 1.203 32.285 ( 1.208 0.468 -1.267) 1.812 42.631 ( 5.983 5.844 -1.784) 8.552 43.018 ( -0.530 3.050 -5.132) 5.994 43.579 ( 10.533 3.693 3.705) 11.760 45.453 ( -8.229 4.211 -12.797) 15.787 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 8.603 -27.288 -7.566) 29.596 2.729 ( -2.031 1.543 17.293) 17.480 3.414 ( 0.865 14.267 -3.300) 14.669 3.553 ( 5.424 1.344 5.156) 7.603 3.826 ( 20.015 0.108 -9.665) 22.227 4.059 ( 2.273 -5.101 -1.803) 5.868 4.472 ( 0.060 6.981 -1.281) 7.097 5.329 ( 8.340 4.094 1.265) 9.377 5.635 ( -6.505 0.864 -4.886) 8.181 6.403 ( -11.397 10.476 -13.180) 20.331 6.918 ( 4.715 -18.234 6.963) 20.080 7.582 ( -11.267 28.458 10.829) 32.467 8.151 ( 13.151 -8.905 7.281) 17.472 8.602 ( -4.281 3.116 4.517) 6.960 8.901 ( -5.119 -7.330 -8.043) 12.026 8.970 ( -4.325 -0.036 0.866) 4.411 9.164 ( 4.485 -0.814 0.695) 4.611 9.616 ( -13.243 -11.736 0.084) 17.695 20.213 ( 0.049 -1.272 0.216) 1.291 20.374 ( -0.171 -0.755 1.673) 1.843 20.424 ( 0.153 -0.993 -2.737) 2.916 20.509 ( -1.818 0.718 0.031) 1.955 24.758 ( 0.127 -0.077 0.296) 0.332 24.777 ( -0.137 -0.545 -0.035) 0.563 32.227 ( 0.347 0.933 0.229) 1.022 32.302 ( 0.745 0.378 -0.803) 1.159 42.791 ( 8.592 2.601 -0.417) 8.986 43.017 ( -0.228 2.890 -4.505) 5.357 43.875 ( 18.606 2.220 4.539) 19.280 45.226 ( -15.545 1.638 -8.947) 18.010 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 8.751 -12.171 -3.084) 15.304 2.673 ( -10.582 -1.194 4.782) 11.674 3.495 ( -2.850 15.165 3.129) 15.745 3.641 ( -1.197 1.214 10.853) 10.987 3.974 ( -0.219 -10.759 -8.370) 13.633 4.368 ( 24.120 4.502 0.600) 24.544 4.501 ( 18.121 -4.645 -7.656) 20.213 5.430 ( 3.037 -0.103 -3.978) 5.006 5.597 ( -0.441 6.117 -0.279) 6.139 6.253 ( -12.824 7.883 -5.208) 15.929 6.912 ( 8.896 -11.101 5.587) 15.283 7.538 ( -24.309 14.696 4.263) 28.724 8.190 ( 5.148 -12.639 -0.030) 13.647 8.504 ( -8.612 -2.684 2.479) 9.355 8.797 ( -2.901 2.879 -1.079) 4.227 8.968 ( 1.650 2.508 2.771) 4.085 9.254 ( 5.802 0.360 0.143) 5.815 9.365 ( -8.313 -4.427 -1.983) 9.625 20.218 ( 1.264 -0.437 0.288) 1.369 20.325 ( -3.803 -0.556 0.033) 3.843 20.442 ( 2.298 -0.368 -0.590) 2.401 20.491 ( -0.827 0.196 -0.095) 0.856 24.761 ( 0.203 -0.008 0.092) 0.223 24.771 ( -0.171 -0.228 -0.037) 0.287 32.250 ( 1.381 0.650 0.167) 1.535 32.305 ( -0.431 0.141 -0.370) 0.586 42.957 ( 9.028 0.941 0.595) 9.096 43.015 ( -0.433 1.345 -2.634) 2.989 44.264 ( 23.059 1.215 3.282) 23.323 44.895 ( -20.377 -0.073 -5.020) 20.986 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -4.026 -0.000 0.000) 4.026 2.530 ( -3.338 -0.000 0.000) 3.338 3.496 ( -5.169 -0.000 0.000) 5.169 3.667 ( -14.163 -0.000 0.000) 14.163 3.886 ( 12.573 0.000 -0.000) 12.573 4.431 ( 3.067 0.000 -0.000) 3.067 5.095 ( 31.009 0.000 -0.000) 31.009 5.498 ( 6.964 0.000 -0.000) 6.964 5.632 ( 0.856 0.000 -0.000) 0.856 6.046 ( -14.510 -0.000 0.000) 14.510 6.992 ( -5.137 -0.000 0.000) 5.137 7.257 ( -5.319 -0.000 0.000) 5.319 8.169 ( -2.915 -0.000 0.000) 2.915 8.388 ( -1.241 -0.000 0.000) 1.241 8.689 ( -9.919 -0.000 0.000) 9.919 9.080 ( 5.529 0.000 -0.000) 5.529 9.213 ( -6.040 -0.000 0.000) 6.040 9.352 ( 5.214 0.000 -0.000) 5.214 20.244 ( 1.866 0.000 -0.000) 1.866 20.264 ( -2.798 -0.000 0.000) 2.798 20.468 ( 1.133 0.000 -0.000) 1.133 20.488 ( 0.516 0.000 -0.000) 0.516 24.766 ( 0.000 0.000 -0.000) 0.000 24.766 ( 0.017 0.000 -0.000) 0.017 32.282 ( 1.582 0.000 -0.000) 1.582 32.288 ( -1.314 -0.000 0.000) 1.314 42.992 ( -2.018 -0.000 0.000) 2.018 43.116 ( 8.504 0.000 -0.000) 8.504 44.520 ( -22.206 -0.000 0.000) 22.206 44.676 ( 23.895 0.000 -0.000) 23.895 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 -38.511 -20.749) 43.745 2.711 ( -0.000 0.864 3.220) 3.333 2.818 ( -0.000 -0.184 4.668) 4.671 3.583 ( 0.000 -0.611 -9.601) 9.621 3.847 ( -0.000 -0.486 4.264) 4.292 4.106 ( -0.000 5.751 5.706) 8.101 4.470 ( -0.000 17.067 1.809) 17.162 5.154 ( 0.000 7.620 -0.744) 7.656 5.757 ( 0.000 -4.085 -0.755) 4.154 6.567 ( 0.000 5.003 -13.775) 14.655 6.928 ( 0.000 -8.363 -0.109) 8.363 7.768 ( -0.000 31.380 14.663) 34.637 7.815 ( -0.000 -5.777 13.913) 15.065 8.665 ( -0.000 6.505 5.177) 8.314 8.916 ( 0.000 -2.752 -5.726) 6.353 9.036 ( 0.000 2.534 -4.179) 4.887 9.157 ( 0.000 -9.754 -1.276) 9.837 9.918 ( 0.000 -23.137 -0.511) 23.143 20.247 ( 0.000 -1.258 -0.303) 1.294 20.293 ( -0.000 -1.276 0.193) 1.291 20.465 ( 0.000 -0.419 -0.982) 1.068 20.555 ( -0.000 0.927 0.273) 0.967 24.756 ( -0.000 -0.152 0.402) 0.430 24.779 ( 0.000 -0.667 -0.012) 0.667 32.238 ( -0.000 0.935 0.356) 1.001 32.268 ( 0.000 0.136 -1.023) 1.032 42.626 ( 0.000 4.868 -1.705) 5.158 43.024 ( 0.000 1.429 -2.779) 3.124 43.533 ( -0.000 3.023 1.693) 3.465 45.507 ( 0.000 2.816 -8.327) 8.790 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 10.844 -22.979 -10.900) 27.648 2.846 ( 1.528 2.936 10.422) 10.935 2.972 ( 26.667 -2.608 -4.946) 27.247 3.545 ( 0.885 1.509 -5.594) 5.861 3.829 ( -3.502 0.150 1.238) 3.718 4.079 ( -7.432 -0.975 2.241) 7.823 4.601 ( -1.339 9.295 1.194) 9.467 5.279 ( 3.640 6.690 1.321) 7.729 5.679 ( -2.334 -3.885 -1.841) 4.893 6.567 ( -0.226 9.231 -10.896) 14.283 6.783 ( -6.535 -11.544 4.455) 13.994 7.825 ( 8.141 -3.939 2.362) 9.347 8.164 ( -5.666 25.802 16.563) 31.180 8.710 ( -3.834 -0.034 1.832) 4.249 8.835 ( 1.056 -4.904 -6.828) 8.473 9.006 ( -2.710 -3.302 -3.682) 5.640 9.092 ( 2.720 -1.676 0.402) 3.220 9.666 ( -7.049 -12.273 -0.194) 14.155 20.215 ( -1.316 -0.658 0.001) 1.471 20.326 ( 3.632 -0.636 0.154) 3.691 20.440 ( -2.040 -0.314 -0.683) 2.174 20.548 ( -1.637 0.519 0.113) 1.721 24.757 ( 0.067 -0.059 0.173) 0.195 24.774 ( -0.042 -0.333 -0.022) 0.336 32.236 ( -0.580 0.426 0.066) 0.723 32.283 ( 1.407 0.195 -0.393) 1.473 42.697 ( 4.836 2.134 -0.748) 5.338 43.023 ( -0.053 1.050 -1.766) 2.055 43.655 ( 10.877 1.362 1.424) 11.054 45.419 ( -9.074 1.177 -4.229) 10.080 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 16.686 0.000 -0.000) 16.686 2.832 ( -6.209 -0.000 0.000) 6.209 3.566 ( 23.708 0.000 -0.000) 23.708 3.634 ( 27.646 0.000 -0.000) 27.646 3.719 ( -9.881 -0.000 0.000) 9.881 3.957 ( -4.622 -0.000 0.000) 4.622 4.576 ( -7.570 -0.000 0.000) 7.570 5.359 ( 3.121 0.000 -0.000) 3.121 5.636 ( -0.822 -0.000 0.000) 0.822 6.509 ( -13.709 -0.000 0.000) 13.709 6.707 ( 8.462 0.000 -0.000) 8.462 7.980 ( 9.826 0.000 -0.000) 9.826 8.072 ( -23.522 -0.000 0.000) 23.522 8.608 ( -4.412 -0.000 0.000) 4.412 8.844 ( 0.129 0.000 -0.000) 0.129 8.946 ( 0.188 0.000 -0.000) 0.188 9.160 ( 5.347 0.000 -0.000) 5.347 9.480 ( -8.592 -0.000 0.000) 8.592 20.202 ( 0.203 0.000 -0.000) 0.203 20.386 ( 3.622 0.000 -0.000) 3.622 20.388 ( -3.629 -0.000 0.000) 3.629 20.518 ( -2.036 -0.000 0.000) 2.036 24.759 ( 0.134 0.000 -0.000) 0.134 24.771 ( -0.079 -0.000 0.000) 0.079 32.237 ( 0.515 0.000 -0.000) 0.515 32.302 ( 0.721 0.000 -0.000) 0.721 42.814 ( 8.108 0.000 -0.000) 8.108 43.023 ( -0.198 -0.000 0.000) 0.198 43.920 ( 19.071 0.000 -0.000) 19.071 45.197 ( -16.466 -0.000 0.000) 16.466 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -0.000 0.000 0.000) 0.000 2.666 ( -0.000 0.000 0.000) 0.000 2.913 ( -0.000 -0.000 0.000) 0.000 3.520 ( -0.000 0.000 0.000) 0.000 3.851 ( -0.000 0.000 0.000) 0.000 4.174 ( -0.000 0.000 0.000) 0.000 4.650 ( -0.000 0.000 0.000) 0.000 5.309 ( -0.000 0.000 0.000) 0.000 5.658 ( -0.000 0.000 0.000) 0.000 6.551 ( -0.000 0.000 0.000) 0.000 6.845 ( -0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 -0.000) 0.000 8.502 ( -0.000 0.000 0.000) 0.000 8.651 ( 0.000 -0.000 -0.000) 0.000 8.799 ( -0.000 0.000 0.000) 0.000 8.990 ( -0.000 0.000 0.000) 0.000 9.060 ( -0.000 -0.000 0.000) 0.000 9.655 ( -0.000 0.000 0.000) 0.000 20.233 ( -0.000 0.000 0.000) 0.000 20.281 ( -0.000 0.000 0.000) 0.000 20.455 ( -0.000 0.000 0.000) 0.000 20.566 ( -0.000 0.000 0.000) 0.000 24.757 ( -0.000 0.000 0.000) 0.000 24.772 ( -0.000 0.000 0.000) 0.000 32.250 ( -0.000 0.000 0.000) 0.000 32.264 ( -0.000 0.000 0.000) 0.000 42.665 ( -0.000 0.000 0.000) 0.000 43.023 ( -0.000 0.000 0.000) 0.000 43.572 ( -0.000 0.000 0.000) 0.000 45.492 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.000 0.000 35.298) 35.298 0.528 ( -0.000 0.000 35.298) 35.298 0.831 ( -0.000 0.000 55.619) 55.619 3.151 ( -0.000 0.000 6.041) 6.041 3.151 ( -0.000 0.000 6.041) 6.041 3.991 ( -0.000 0.000 5.755) 5.755 4.724 ( 0.000 -0.000 -2.329) 2.329 4.724 ( 0.000 -0.000 -2.329) 2.329 5.252 ( 0.000 -0.000 -3.304) 3.304 6.542 ( 0.000 -0.000 -5.199) 5.199 6.542 ( 0.000 -0.000 -5.199) 5.199 8.306 ( 0.000 -0.000 -27.256) 27.256 8.405 ( -0.000 0.000 1.051) 1.051 8.405 ( -0.000 0.000 1.051) 1.051 8.658 ( -0.000 0.000 0.197) 0.197 8.658 ( -0.000 0.000 0.197) 0.197 9.596 ( -0.000 0.000 21.757) 21.757 12.050 ( 0.000 -0.000 -3.440) 3.440 20.465 ( -0.000 0.000 0.050) 0.050 20.465 ( 0.000 0.000 0.050) 0.050 20.484 ( 0.000 -0.000 -0.020) 0.020 20.484 ( 0.000 -0.000 -0.020) 0.020 24.842 ( -0.000 0.000 0.769) 0.769 25.146 ( 0.000 -0.000 -0.635) 0.635 32.229 ( -0.000 0.000 0.091) 0.091 32.250 ( 0.000 -0.000 -0.078) 0.078 42.045 ( -0.000 0.000 2.173) 2.173 42.045 ( -0.000 0.000 2.173) 2.173 43.004 ( 0.000 -0.000 -2.329) 2.329 43.004 ( 0.000 -0.000 -2.329) 2.329 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 15.485 8.940 17.258) 24.851 0.863 ( 12.014 6.936 29.275) 32.396 1.912 ( 48.122 27.783 32.960) 64.606 3.124 ( -1.906 -1.101 4.339) 4.865 3.143 ( -2.013 -1.162 10.488) 10.742 3.901 ( 3.543 2.045 16.759) 17.251 4.747 ( 3.482 2.010 -4.928) 6.360 4.780 ( 2.818 1.627 1.025) 3.411 5.182 ( -4.096 -2.365 -4.129) 6.278 6.539 ( -0.777 -0.449 -6.611) 6.671 6.725 ( 9.601 5.543 -17.948) 21.096 8.032 ( -10.559 -6.096 -12.960) 17.793 8.391 ( -1.088 -0.628 0.711) 1.443 8.428 ( 1.145 0.661 -8.991) 9.088 8.720 ( 5.413 3.125 -0.622) 6.281 8.876 ( 10.063 5.810 -3.868) 12.247 9.661 ( -4.107 -2.371 20.657) 21.195 11.439 ( -33.591 -19.394 12.180) 40.655 20.428 ( -1.916 -1.106 0.354) 2.240 20.474 ( 0.609 0.352 -1.826) 1.956 20.494 ( 0.039 0.022 -0.463) 0.465 20.511 ( 0.799 0.462 -0.087) 0.927 24.841 ( -0.410 -0.237 0.905) 1.021 24.858 ( -9.620 -5.554 10.148) 15.046 32.220 ( -0.851 -0.491 0.066) 0.985 32.248 ( 0.575 0.332 -0.881) 1.103 42.167 ( 7.417 4.282 5.040) 9.937 42.950 ( -0.990 -0.572 -5.724) 5.837 43.094 ( 6.580 3.799 0.457) 7.611 44.378 ( 89.748 51.816 -104.708) 147.321 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 27.605 15.938 3.036) 32.020 1.335 ( 17.633 10.180 19.684) 28.320 2.792 ( 15.063 8.697 4.391) 17.939 3.144 ( 2.631 1.519 4.996) 5.848 3.420 ( 25.840 14.919 18.947) 35.345 4.266 ( 20.092 11.600 19.538) 30.332 4.670 ( -10.368 -5.986 -10.452) 15.892 4.845 ( 2.183 1.261 2.999) 3.918 5.124 ( 2.557 1.476 -3.245) 4.387 6.438 ( -3.355 -1.937 -14.556) 15.062 6.813 ( 6.903 3.985 -15.141) 17.111 7.755 ( -13.149 -7.592 7.519) 16.943 8.346 ( -3.814 -2.202 1.746) 4.737 8.410 ( 2.740 1.582 -11.926) 12.338 8.856 ( 6.582 3.800 -0.334) 7.608 9.025 ( 3.744 2.162 2.606) 5.048 9.615 ( -7.687 -4.438 14.576) 17.066 10.739 ( -32.378 -18.694 -0.344) 37.389 20.394 ( -1.323 -0.764 0.812) 1.730 20.441 ( -2.504 -1.446 -0.703) 2.976 20.510 ( -0.762 -0.440 -0.555) 1.041 20.513 ( 1.678 0.969 -1.276) 2.320 24.776 ( -2.618 -1.511 4.667) 5.560 24.832 ( -0.748 -0.432 0.785) 1.167 32.196 ( -1.146 -0.662 -0.084) 1.326 32.264 ( 1.261 0.728 -1.491) 2.084 42.403 ( 10.462 6.040 6.838) 13.881 42.908 ( 0.429 0.248 -8.079) 8.094 43.305 ( 11.272 6.508 4.898) 13.907 45.111 ( 26.266 15.164 -62.470) 69.443 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 12.674 7.317 22.312) 26.684 1.845 ( 27.408 15.824 -4.166) 31.921 2.975 ( 10.561 6.098 -13.551) 18.230 3.334 ( 11.564 6.676 9.897) 16.620 4.113 ( 23.873 13.783 15.258) 31.507 4.240 ( -19.773 -11.416 -14.426) 27.007 4.759 ( 1.852 1.069 23.492) 23.589 5.068 ( 26.484 15.291 1.558) 30.621 5.186 ( 2.615 1.510 -4.886) 5.744 6.261 ( -4.420 -2.552 -20.742) 21.361 6.883 ( 4.768 2.753 -14.642) 15.643 7.507 ( -16.790 -9.694 24.615) 31.334 8.229 ( -7.798 -4.502 4.103) 9.895 8.453 ( 6.252 3.609 -10.252) 12.538 8.990 ( 4.841 2.795 0.752) 5.640 9.061 ( -2.884 -1.665 7.091) 7.834 9.484 ( -8.463 -4.886 7.235) 12.159 10.052 ( -25.155 -14.523 -8.893) 30.377 20.372 ( -3.247 -1.875 -0.473) 3.779 20.376 ( -0.883 -0.510 1.104) 1.503 20.477 ( -1.504 -0.869 -1.160) 2.089 20.543 ( 1.372 0.792 -1.027) 1.888 24.759 ( -0.745 -0.430 2.218) 2.379 24.817 ( -0.886 -0.512 0.499) 1.139 32.175 ( -0.504 -0.291 -0.228) 0.625 32.283 ( 1.084 0.626 -1.561) 2.001 42.670 ( 9.856 5.690 7.464) 13.610 42.890 ( 1.815 1.048 -9.170) 9.406 43.641 ( 15.322 8.846 10.432) 20.539 45.182 ( 5.907 3.410 -42.496) 43.040 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 5.037 2.908 26.538) 27.168 2.359 ( 20.257 11.695 -7.674) 24.617 3.233 ( 21.362 12.333 -24.137) 34.511 3.519 ( -10.731 -6.196 -4.733) 13.264 3.995 ( 16.981 9.804 3.072) 19.847 4.533 ( 2.517 1.453 12.811) 13.137 4.875 ( 9.431 5.445 14.646) 18.251 5.143 ( -4.349 -2.511 -6.145) 7.936 5.701 ( 23.906 13.802 4.142) 27.913 6.039 ( -6.469 -3.735 -20.144) 21.484 6.727 ( -15.835 -9.143 -17.584) 25.368 7.246 ( -18.835 -10.875 30.255) 37.261 8.144 ( 1.293 0.746 8.419) 8.551 8.580 ( 8.205 4.737 -5.155) 10.786 8.980 ( -6.422 -3.707 6.609) 9.933 9.049 ( -0.436 -0.252 0.508) 0.715 9.334 ( -6.525 -3.767 1.687) 7.721 9.608 ( -10.832 -6.254 -9.746) 15.856 20.302 ( -2.691 -1.554 -0.409) 3.135 20.349 ( -2.255 -1.302 0.740) 2.707 20.454 ( 0.386 0.223 -1.211) 1.290 20.560 ( 0.472 0.273 -0.453) 0.709 24.759 ( -0.073 -0.042 1.026) 1.030 24.799 ( -0.827 -0.477 0.207) 0.977 32.176 ( 0.769 0.444 -0.214) 0.914 32.292 ( 0.244 0.141 -1.216) 1.248 42.895 ( 2.525 1.458 -9.150) 9.604 42.897 ( 6.909 3.989 7.760) 11.130 44.074 ( 17.517 10.113 15.161) 25.278 45.009 ( -3.690 -2.131 -33.650) 33.919 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 4.819 2.782 22.968) 23.633 2.517 ( -6.866 -3.964 -5.881) 9.871 3.321 ( 8.134 4.696 -17.548) 19.903 3.653 ( 25.814 14.904 -25.079) 38.955 4.445 ( -11.166 -6.447 12.179) 17.736 4.656 ( 28.954 16.717 4.985) 33.803 4.961 ( -6.335 -3.657 5.581) 9.201 5.271 ( 16.508 9.531 8.483) 20.864 5.764 ( -10.484 -6.053 -16.080) 20.127 6.025 ( -35.222 -20.335 -15.003) 43.350 6.133 ( 14.164 8.178 0.246) 16.357 6.975 ( -18.277 -10.552 27.100) 34.349 8.387 ( 14.111 8.147 7.607) 17.982 8.704 ( 1.334 0.770 -3.406) 3.739 8.878 ( -4.623 -2.669 2.364) 5.838 8.995 ( -3.035 -1.752 3.772) 5.149 9.228 ( -1.957 -1.130 -3.079) 3.819 9.409 ( -4.930 -2.846 -5.243) 7.739 20.256 ( -1.123 -0.648 -0.340) 1.341 20.296 ( -2.327 -1.344 0.291) 2.703 20.476 ( 1.733 1.000 -0.984) 2.230 20.558 ( -0.567 -0.328 0.195) 0.684 24.764 ( 0.207 0.119 0.395) 0.462 24.783 ( -0.694 -0.401 -0.010) 0.802 32.206 ( 1.874 1.082 -0.050) 2.164 32.281 ( -0.858 -0.495 -0.630) 1.174 42.904 ( 2.050 1.184 -8.403) 8.730 43.051 ( 3.470 2.003 8.216) 9.140 44.549 ( 17.438 10.068 17.828) 26.894 44.708 ( -9.027 -5.212 -28.998) 30.815 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -15.948 -9.208 -6.506) 19.531 2.575 ( 9.435 5.447 16.701) 19.940 3.588 ( 18.745 10.823 -17.397) 27.770 3.959 ( 0.537 0.310 -2.345) 2.426 4.303 ( 2.371 1.369 -16.520) 16.745 4.550 ( -15.387 -8.884 -6.720) 18.996 5.185 ( -27.017 -15.598 -3.054) 31.345 5.401 ( -15.849 -9.150 -13.118) 22.517 5.630 ( 36.896 21.302 21.717) 47.820 5.664 ( 14.180 8.187 2.428) 16.553 6.377 ( 7.737 4.467 1.032) 8.993 6.697 ( -17.932 -10.353 21.122) 29.578 8.503 ( -14.130 -8.158 -9.574) 18.918 8.727 ( 11.440 6.605 0.471) 13.218 8.792 ( -2.743 -1.584 2.270) 3.897 8.971 ( -4.304 -2.485 8.862) 10.161 9.297 ( 9.806 5.662 -2.130) 11.522 9.319 ( -1.842 -1.063 -1.084) 2.387 20.251 ( 0.770 0.444 -0.358) 0.958 20.261 ( -0.766 -0.443 0.351) 0.952 20.512 ( 1.818 1.049 -0.983) 2.317 20.538 ( -1.384 -0.799 0.751) 1.765 24.768 ( -0.623 -0.359 -0.170) 0.739 24.772 ( 0.377 0.218 0.071) 0.441 32.250 ( -1.627 -0.939 -0.024) 1.879 32.253 ( 2.144 1.238 0.152) 2.480 42.893 ( 0.207 0.119 -7.334) 7.338 43.136 ( 0.531 0.306 8.665) 8.687 44.338 ( -11.807 -6.817 -25.465) 28.885 45.011 ( 15.773 9.106 18.348) 25.852 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -11.340 -6.547 -5.367) 14.152 2.840 ( 4.007 2.313 12.988) 13.788 3.766 ( -13.921 -8.037 9.657) 18.752 3.888 ( 14.599 8.429 -15.152) 22.666 4.044 ( -11.830 -6.830 -24.707) 28.232 4.152 ( -17.470 -10.086 -2.498) 20.327 4.926 ( -21.135 -12.202 -12.730) 27.525 5.087 ( 11.092 6.404 4.951) 13.731 5.990 ( 16.764 9.679 -6.753) 20.501 6.340 ( -20.899 -12.066 18.140) 30.190 6.506 ( 3.268 1.887 3.431) 5.100 6.530 ( 30.446 17.578 13.264) 37.575 8.099 ( -14.650 -8.458 -11.253) 20.317 8.680 ( -3.572 -2.062 -3.881) 5.664 8.909 ( -3.276 -1.891 3.615) 5.232 8.967 ( 6.180 3.568 2.486) 7.556 9.310 ( 0.827 0.478 0.720) 1.196 9.575 ( 13.503 7.796 6.494) 16.890 20.268 ( 1.173 0.677 0.467) 1.432 20.281 ( 1.967 1.136 -0.655) 2.364 20.510 ( -1.454 -0.839 1.164) 2.043 20.543 ( 1.263 0.729 -0.932) 1.731 24.753 ( -0.662 -0.382 -0.308) 0.824 24.782 ( 0.526 0.304 -0.072) 0.611 32.214 ( -1.593 -0.919 0.412) 1.885 32.296 ( 1.482 0.856 0.274) 1.733 42.831 ( -2.901 -1.675 -6.307) 7.141 43.167 ( -1.506 -0.870 8.840) 9.010 43.947 ( -12.451 -7.189 -21.574) 25.926 45.423 ( 13.318 7.689 16.986) 22.913 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -7.398 -4.271 -1.318) 8.644 2.696 ( -22.108 -12.764 12.831) 28.571 3.429 ( -13.564 -7.831 -4.417) 16.273 3.746 ( -18.140 -10.473 4.647) 21.455 4.071 ( 16.281 9.400 2.462) 18.960 4.088 ( 9.014 5.204 -16.965) 19.904 4.338 ( -25.432 -14.683 -15.663) 33.282 5.317 ( 4.269 2.465 4.675) 6.794 5.802 ( -32.416 -18.715 12.049) 39.322 6.351 ( 19.393 11.197 -25.968) 34.290 6.615 ( 6.522 3.766 16.725) 18.343 7.055 ( 8.451 4.879 2.489) 10.070 7.916 ( 5.112 2.951 -5.744) 8.236 8.597 ( -2.053 -1.185 -3.347) 4.102 8.877 ( -0.414 -0.239 0.152) 0.502 9.045 ( 0.265 0.153 1.501) 1.532 9.344 ( 1.594 0.920 0.262) 1.859 9.963 ( 17.198 9.929 13.537) 24.033 20.314 ( 2.661 1.536 0.427) 3.102 20.320 ( 1.723 0.995 -1.058) 2.254 20.494 ( -0.330 -0.191 1.282) 1.337 20.556 ( 0.328 0.189 -0.880) 0.958 24.735 ( -0.757 -0.437 -0.384) 0.955 24.794 ( 0.636 0.367 -0.104) 0.741 32.189 ( -0.790 -0.456 0.562) 1.071 32.317 ( 0.301 0.174 0.221) 0.412 42.694 ( -6.805 -3.929 -5.695) 9.704 43.163 ( -2.599 -1.500 8.437) 8.954 43.589 ( -10.879 -6.281 -16.665) 20.869 45.766 ( 10.609 6.125 13.684) 18.367 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -9.329 -5.386 6.164) 12.411 2.135 ( -31.821 -18.372 14.090) 39.353 3.212 ( -6.083 -3.512 3.330) 7.774 3.394 ( -15.627 -9.022 5.503) 18.865 3.612 ( -32.866 -18.975 -19.844) 42.825 4.101 ( -2.785 -1.608 -12.119) 12.539 4.532 ( 20.533 11.855 3.388) 23.951 5.131 ( -27.680 -15.981 7.109) 32.743 5.309 ( -5.835 -3.369 3.203) 7.461 6.454 ( 4.337 2.504 -18.980) 19.630 7.061 ( -2.839 -1.639 -2.924) 4.393 7.084 ( 24.625 14.217 9.054) 29.841 8.121 ( 10.145 5.857 -2.800) 12.044 8.557 ( -0.071 -0.041 -3.511) 3.512 8.886 ( 1.404 0.811 -1.991) 2.568 9.010 ( -3.728 -2.153 1.493) 4.557 9.376 ( 1.170 0.676 0.443) 1.422 10.469 ( 20.772 11.993 16.525) 29.127 20.346 ( 1.266 0.731 -0.863) 1.697 20.383 ( 3.243 1.873 0.209) 3.751 20.505 ( 0.657 0.379 0.700) 1.032 20.548 ( -0.672 -0.388 -0.937) 1.217 24.716 ( -0.785 -0.453 -0.160) 0.921 24.808 ( 0.660 0.381 -0.038) 0.763 32.185 ( 0.234 0.135 0.433) 0.510 32.312 ( -0.791 -0.457 -0.059) 0.916 42.479 ( -9.655 -5.574 -5.258) 12.326 43.139 ( -2.953 -1.705 7.133) 7.906 43.310 ( -7.867 -4.542 -11.229) 14.443 46.024 ( 7.799 4.503 6.514) 11.114 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -17.959 -10.369 14.726) 25.434 1.490 ( -32.645 -18.848 19.062) 42.241 2.592 ( -49.427 -28.537 -14.527) 58.893 3.156 ( -2.095 -1.209 7.085) 7.487 3.159 ( -7.919 -4.572 -0.494) 9.157 3.863 ( -12.765 -7.370 1.077) 14.779 4.780 ( -6.623 -3.824 -0.949) 7.707 4.917 ( 9.518 5.495 4.230) 11.776 5.147 ( -6.111 -3.528 -1.587) 7.233 6.454 ( 3.688 2.129 -13.679) 14.326 6.985 ( -2.269 -1.310 -3.879) 4.681 7.665 ( 23.337 13.474 3.935) 27.233 8.275 ( 5.306 3.063 -2.691) 6.691 8.550 ( 1.053 0.608 -5.388) 5.524 8.904 ( -6.051 -3.494 -0.278) 6.993 8.906 ( 1.016 0.587 -2.153) 2.452 9.408 ( 0.823 0.475 5.226) 5.312 10.993 ( 18.231 10.526 14.832) 25.752 20.377 ( 1.828 1.055 -0.349) 2.139 20.452 ( 2.761 1.594 -0.398) 3.213 20.518 ( 0.139 0.080 0.002) 0.160 20.521 ( -1.175 -0.679 -0.900) 1.629 24.703 ( -0.439 -0.253 1.405) 1.493 24.823 ( 0.568 0.328 0.153) 0.673 32.200 ( 0.845 0.488 0.200) 0.996 32.286 ( -1.273 -0.735 -0.514) 1.557 42.242 ( -8.908 -5.143 -3.774) 10.956 43.104 ( -2.881 -1.663 4.741) 5.792 43.124 ( -4.925 -2.844 -6.962) 8.990 46.140 ( 2.461 1.421 -15.530) 15.788 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.000 30.068 13.505) 32.962 1.354 ( -0.000 28.677 31.288) 42.442 1.810 ( -0.000 32.328 39.275) 50.868 3.097 ( -0.000 -4.358 4.406) 6.197 3.307 ( -0.000 3.836 11.785) 12.393 3.938 ( -0.000 -2.444 14.374) 14.580 4.696 ( -0.000 1.881 1.373) 2.328 4.836 ( 0.000 11.592 -2.199) 11.799 5.144 ( 0.000 -7.226 -5.804) 9.268 6.316 ( 0.000 -10.816 -14.286) 17.919 6.713 ( 0.000 9.818 -13.102) 16.372 7.938 ( 0.000 -7.214 -21.284) 22.474 8.361 ( -0.000 -4.252 2.166) 4.772 8.405 ( 0.000 -0.358 -2.597) 2.622 8.732 ( 0.000 5.668 -0.880) 5.736 8.822 ( 0.000 8.520 -2.797) 8.967 9.769 ( -0.000 -5.794 21.601) 22.364 11.639 ( -0.000 -22.964 6.904) 23.980 20.425 ( -0.000 -2.787 0.184) 2.793 20.446 ( 0.000 -0.661 -1.395) 1.544 20.503 ( 0.000 1.049 -0.398) 1.122 20.509 ( -0.000 0.280 0.026) 0.281 24.846 ( -0.000 -0.544 1.112) 1.238 24.903 ( -0.000 -11.903 8.249) 14.482 32.221 ( -0.000 -0.812 0.132) 0.823 32.243 ( 0.000 0.315 -0.786) 0.847 42.076 ( -0.000 3.315 1.070) 3.484 42.945 ( 0.000 0.571 -5.763) 5.791 43.061 ( 0.000 5.218 -1.042) 5.321 44.023 ( 0.000 108.902 -78.669) 134.344 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 5.743 38.989 5.734) 39.825 1.474 ( -13.630 22.407 32.237) 41.558 2.655 ( 24.194 15.888 20.076) 35.225 3.129 ( 3.855 1.922 3.936) 5.835 3.371 ( 3.428 8.928 14.728) 17.560 4.124 ( 15.047 4.116 8.415) 17.724 4.714 ( -7.439 0.808 2.685) 7.950 4.955 ( -0.977 11.811 -0.645) 11.868 5.055 ( 4.148 -2.653 -2.536) 5.539 6.214 ( 8.797 -14.210 -18.196) 24.707 6.709 ( 0.108 5.023 -16.151) 16.915 7.790 ( 0.037 -6.932 -8.767) 11.177 8.255 ( -3.308 -6.960 4.454) 8.901 8.463 ( 2.239 3.577 -5.434) 6.880 8.808 ( 3.727 5.700 -0.941) 6.875 8.941 ( 6.858 2.162 -0.425) 7.203 9.750 ( -5.468 -8.624 17.372) 20.151 11.163 ( -31.607 -17.176 4.077) 36.202 20.390 ( -0.486 -2.814 0.479) 2.896 20.448 ( 0.426 -1.131 -1.148) 1.667 20.493 ( -0.177 0.228 -0.764) 0.816 20.517 ( -0.072 0.153 -0.450) 0.480 24.822 ( -2.631 -4.810 5.367) 7.672 24.841 ( -0.445 -0.809 1.028) 1.382 32.206 ( -0.846 -0.845 0.083) 1.199 32.249 ( 0.668 0.980 -1.391) 1.828 42.259 ( 13.435 2.993 3.035) 14.095 42.898 ( -2.161 2.174 -7.427) 8.034 43.203 ( 9.423 6.220 1.607) 11.405 44.695 ( 18.100 51.493 -61.905) 82.530 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 2.098 20.210 21.441) 29.540 1.929 ( 10.427 31.288 8.540) 34.067 2.905 ( 1.627 4.600 -1.561) 5.123 3.238 ( 7.545 1.690 6.713) 10.240 3.917 ( 24.839 14.418 15.453) 32.613 4.309 ( -10.968 -15.376 -10.797) 21.755 4.640 ( 21.448 -0.088 4.822) 21.983 5.023 ( -5.887 10.735 5.507) 13.425 5.242 ( 5.114 18.311 5.361) 19.753 6.125 ( 4.550 -8.286 -17.785) 20.141 6.676 ( 4.905 -2.180 -18.935) 19.681 7.695 ( -3.584 -9.782 10.816) 15.017 8.194 ( 1.061 -5.890 4.342) 7.394 8.482 ( -1.990 7.802 -7.565) 11.048 8.938 ( 5.308 4.267 0.495) 6.828 9.052 ( 5.111 -1.892 1.552) 5.667 9.611 ( -8.326 -9.074 10.367) 16.098 10.416 ( -37.747 -14.829 -0.338) 40.557 20.364 ( 0.110 -2.929 0.455) 2.966 20.409 ( -2.506 -1.269 0.395) 2.837 20.489 ( -1.208 -0.559 -1.391) 1.925 20.519 ( 1.508 0.552 -1.324) 2.082 24.780 ( -1.294 -1.714 2.871) 3.586 24.827 ( -0.733 -0.904 0.695) 1.356 32.184 ( -0.913 -0.367 -0.012) 0.984 32.267 ( 0.988 1.212 -1.699) 2.309 42.547 ( 14.078 3.185 4.963) 15.263 42.859 ( -0.731 3.377 -8.708) 9.369 43.498 ( 15.586 7.203 6.639) 18.409 44.966 ( 5.646 22.028 -44.886) 50.317 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 11.271 12.406 18.348) 24.851 2.345 ( 3.031 19.096 10.044) 21.788 3.007 ( 7.869 14.439 -16.986) 23.642 3.555 ( 16.505 4.718 12.147) 21.029 3.785 ( -12.276 -18.907 -14.919) 27.032 4.479 ( 19.674 10.821 10.234) 24.676 4.910 ( 4.909 -9.864 1.713) 11.150 5.065 ( 3.229 6.790 0.818) 7.563 5.571 ( 9.312 15.744 0.297) 18.294 6.054 ( -3.077 7.380 -10.275) 13.020 6.596 ( 1.812 -13.695 -15.499) 20.762 7.577 ( -9.111 -9.057 20.639) 24.311 8.199 ( -0.741 -1.195 8.869) 8.980 8.509 ( 1.806 9.051 -8.787) 12.743 9.033 ( 0.668 -2.291 5.682) 6.163 9.061 ( -1.454 -2.228 -0.711) 2.754 9.443 ( -6.020 -5.382 2.942) 8.595 9.728 ( -24.829 -11.993 -3.172) 27.755 20.323 ( -1.858 -2.599 -0.285) 3.208 20.372 ( -1.511 -0.947 1.341) 2.231 20.449 ( -1.114 -0.615 -1.575) 2.025 20.543 ( 1.440 0.086 -1.146) 1.843 24.767 ( -0.435 -0.593 1.415) 1.595 24.808 ( -0.781 -0.812 0.315) 1.170 32.175 ( -0.071 0.556 0.000) 0.561 32.284 ( 0.587 0.943 -1.547) 1.904 42.807 ( 9.258 2.180 3.184) 10.030 42.860 ( 2.553 4.489 -6.137) 8.021 43.913 ( 19.681 7.470 11.541) 24.007 44.920 ( -3.918 8.817 -34.765) 36.079 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 2.854 3.881 26.585) 27.018 2.533 ( 2.863 7.909 -2.865) 8.886 3.116 ( -1.936 -7.469 -16.992) 18.662 3.439 ( 8.952 19.231 -20.815) 29.719 4.145 ( 28.465 -1.932 13.575) 31.595 4.748 ( -7.144 -1.314 -2.625) 7.724 4.917 ( 13.411 3.363 6.742) 15.383 5.204 ( 6.373 6.698 1.191) 9.322 5.710 ( 2.923 -2.299 -13.252) 13.764 6.043 ( -5.332 -4.677 -13.746) 15.468 6.298 ( -14.454 1.644 3.595) 14.985 7.380 ( -19.078 -7.184 23.414) 31.045 8.305 ( 7.503 6.083 7.953) 12.512 8.632 ( 6.720 4.478 -3.033) 8.626 8.904 ( -5.767 -9.142 1.885) 10.973 9.034 ( -2.386 -2.040 0.229) 3.147 9.323 ( -9.859 -0.609 1.974) 10.073 9.385 ( -1.710 -7.111 -5.354) 9.064 20.270 ( -1.677 -1.316 -0.222) 2.143 20.327 ( -2.762 -1.342 0.399) 3.097 20.448 ( 1.619 0.236 -0.869) 1.852 20.553 ( 0.575 -0.713 -0.523) 1.055 24.765 ( -0.006 -0.144 0.603) 0.620 24.790 ( -0.683 -0.622 0.034) 0.924 32.194 ( 1.076 1.483 0.120) 1.836 32.286 ( -0.342 0.339 -1.040) 1.146 42.859 ( 1.275 3.801 -7.894) 8.854 43.026 ( 6.968 1.769 6.455) 9.662 44.388 ( 20.708 6.624 13.717) 25.707 44.695 ( -9.527 2.088 -28.289) 29.923 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -17.347 -8.889 -2.363) 19.634 2.584 ( 4.044 2.459 15.863) 16.554 3.173 ( 20.161 1.615 -16.194) 25.910 3.794 ( 14.865 14.509 -15.109) 25.686 4.357 ( -3.521 -4.196 4.855) 7.319 4.580 ( -2.792 -7.562 -12.144) 14.576 5.240 ( 0.115 -10.593 -3.932) 11.300 5.427 ( 17.371 10.394 0.731) 20.257 5.565 ( -13.298 -6.041 -1.486) 14.681 5.627 ( -1.768 9.089 -2.077) 9.490 6.394 ( 1.574 14.250 6.370) 15.688 7.075 ( -21.966 -7.249 24.181) 33.463 8.574 ( 11.408 3.084 1.047) 11.863 8.606 ( -9.049 -5.651 -7.688) 13.150 8.809 ( 0.327 -2.419 5.452) 5.973 8.975 ( 1.371 -10.013 7.247) 12.436 9.223 ( -0.632 3.788 -4.988) 6.295 9.336 ( 0.022 0.736 -1.273) 1.470 20.244 ( -0.356 -0.372 -0.498) 0.717 20.280 ( -1.556 -0.494 0.594) 1.737 20.482 ( 2.172 0.708 -0.886) 2.450 20.543 ( -0.270 -1.474 0.189) 1.511 24.768 ( 0.240 0.061 0.172) 0.302 24.774 ( -0.602 -0.450 -0.128) 0.762 32.236 ( 1.667 1.837 0.146) 2.485 32.269 ( -1.248 -0.199 -0.322) 1.304 42.869 ( 0.088 3.071 -6.897) 7.550 43.158 ( 3.295 0.881 7.381) 8.131 44.358 ( -12.414 -2.454 -25.213) 28.210 44.874 ( 19.478 5.999 15.050) 25.335 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -15.007 -8.269 -0.737) 17.150 2.794 ( 10.583 1.677 6.459) 12.512 3.400 ( 14.937 -7.001 -14.330) 21.851 3.832 ( -3.656 -16.844 6.779) 18.522 4.330 ( -13.988 0.133 -9.900) 17.137 4.334 ( -6.976 20.857 -23.265) 32.014 4.866 ( -5.296 -16.150 -2.566) 17.189 5.253 ( -13.786 3.552 -5.765) 15.359 5.788 ( 10.756 4.820 -1.759) 11.918 6.127 ( 26.873 6.725 14.089) 31.079 6.596 ( 0.715 7.055 6.776) 9.808 6.793 ( -17.413 5.995 21.680) 28.445 8.228 ( -17.095 -9.077 -11.911) 22.727 8.663 ( 0.714 -4.467 -2.826) 5.334 8.880 ( 4.796 -4.511 5.212) 8.397 8.962 ( 1.271 0.676 6.052) 6.221 9.271 ( 4.477 -0.556 -3.025) 5.432 9.437 ( 8.977 4.623 3.147) 10.576 20.242 ( 1.010 -0.397 -0.690) 1.286 20.280 ( 0.481 1.256 0.758) 1.543 20.511 ( 0.441 -0.747 -0.312) 0.922 20.528 ( 0.648 -0.222 0.038) 0.686 24.759 ( -0.638 -0.351 -0.204) 0.756 24.776 ( 0.438 0.176 -0.022) 0.472 32.234 ( -1.626 -0.717 0.034) 1.778 32.286 ( 1.389 1.820 0.313) 2.311 42.843 ( -2.366 1.424 -5.568) 6.215 43.231 ( 0.008 0.954 7.869) 7.927 43.988 ( -13.442 -4.532 -21.491) 25.750 45.304 ( 17.317 4.499 13.132) 22.194 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -9.628 -6.618 3.910) 12.320 2.865 ( -4.532 -12.987 3.024) 14.084 3.352 ( 0.285 -12.986 -4.581) 13.774 3.748 ( 9.533 -6.522 2.086) 11.737 4.054 ( -15.662 0.442 -1.055) 15.704 4.276 ( -10.019 27.425 -18.443) 34.535 4.529 ( -18.552 -13.711 -10.466) 25.332 5.257 ( 5.293 4.106 2.408) 7.119 5.989 ( 11.255 1.539 -11.181) 15.939 6.304 ( -26.083 -8.282 13.811) 30.654 6.516 ( 14.564 -3.622 14.246) 20.693 7.061 ( 5.038 18.544 2.911) 19.436 7.880 ( -5.996 -3.060 -8.175) 10.590 8.626 ( -0.477 1.551 -2.630) 3.090 8.861 ( -0.115 -5.211 2.870) 5.950 9.064 ( 1.511 4.182 1.635) 4.737 9.326 ( 2.937 1.358 -1.494) 3.564 9.723 ( 20.136 -2.336 9.488) 22.382 20.267 ( 2.547 0.025 -0.801) 2.670 20.313 ( 1.253 1.293 0.548) 1.882 20.497 ( -0.185 -0.992 0.961) 1.394 20.548 ( 0.858 0.608 -1.047) 1.484 24.743 ( -0.764 -0.303 -0.170) 0.839 24.786 ( 0.611 0.235 -0.066) 0.658 32.203 ( -1.276 -0.668 0.373) 1.487 32.318 ( 0.484 1.192 0.056) 1.288 42.755 ( -5.990 -0.402 -4.458) 7.477 43.259 ( -2.765 1.735 8.005) 8.645 43.629 ( -12.026 -5.235 -17.216) 21.643 45.659 ( 14.352 2.843 8.605) 16.974 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -7.263 -9.498 10.984) 16.236 2.493 ( -20.737 -17.218 7.341) 27.936 3.219 ( -1.914 -8.102 2.130) 8.593 3.638 ( -18.687 -1.225 -3.067) 18.976 3.944 ( -29.046 -8.297 -11.604) 32.360 4.138 ( 12.164 6.830 -1.059) 13.990 4.347 ( 1.639 18.076 -10.322) 20.880 5.294 ( -2.985 -10.461 6.698) 12.775 5.627 ( -33.621 -9.959 9.468) 36.320 6.241 ( 10.091 4.892 -19.103) 22.152 6.853 ( 19.201 1.889 13.270) 23.417 7.131 ( -3.302 6.122 -5.524) 8.882 7.917 ( 9.101 -1.389 -0.056) 9.207 8.652 ( -2.142 9.924 -3.877) 10.868 8.845 ( 1.880 -2.704 1.526) 3.630 9.076 ( -3.669 1.486 -0.034) 3.959 9.376 ( 1.288 2.522 -0.292) 2.847 10.160 ( 28.772 -4.215 12.796) 31.770 20.308 ( 2.529 0.069 -1.226) 2.811 20.353 ( 2.335 0.579 0.940) 2.583 20.503 ( 0.529 0.431 0.670) 0.956 20.552 ( -0.218 0.265 -1.290) 1.335 24.727 ( -0.832 -0.226 0.161) 0.877 24.800 ( 0.731 0.234 0.009) 0.767 32.186 ( -0.295 -0.352 0.382) 0.597 32.324 ( -0.696 0.446 -0.371) 0.906 42.592 ( -10.043 -1.158 -3.618) 10.738 43.254 ( -5.146 2.717 7.831) 9.756 43.333 ( -8.337 -4.893 -12.809) 16.047 45.911 ( 10.769 0.738 0.060) 10.795 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -11.333 -17.074 19.087) 28.005 1.988 ( -28.711 -10.862 8.817) 31.938 3.157 ( -3.341 -7.002 1.945) 7.998 3.178 ( -31.194 -2.829 -16.494) 35.399 3.372 ( -25.116 2.837 7.953) 26.498 4.152 ( -17.933 10.405 0.815) 20.749 4.614 ( 16.285 -5.326 0.586) 17.144 5.024 ( -10.817 -2.041 5.612) 12.356 5.241 ( -12.425 -4.906 0.827) 13.384 6.333 ( 6.112 6.068 -15.883) 18.068 6.993 ( -1.535 -0.262 -6.984) 7.155 7.417 ( 22.703 8.215 7.808) 25.374 8.045 ( 10.042 -5.506 1.674) 11.575 8.670 ( -4.337 9.690 -6.572) 12.486 8.877 ( 1.423 -0.450 1.439) 2.073 8.989 ( -6.122 0.190 -1.467) 6.298 9.422 ( 1.511 1.082 4.608) 4.968 10.669 ( 29.562 -6.422 9.809) 31.802 20.341 ( 2.229 0.107 -0.453) 2.277 20.412 ( 3.364 0.422 0.362) 3.410 20.519 ( 0.256 0.732 -0.036) 0.776 20.534 ( -1.127 0.065 -1.386) 1.787 24.717 ( -0.476 -0.026 1.375) 1.455 24.815 ( 0.761 0.164 0.214) 0.807 32.190 ( 0.677 -0.109 0.194) 0.713 32.303 ( -1.518 -0.028 -0.893) 1.761 42.385 ( -11.878 0.634 -1.863) 12.040 43.127 ( -5.099 -3.685 -8.203) 10.337 43.222 ( -6.210 3.120 5.579) 8.912 45.997 ( 3.955 -2.500 -18.243) 18.833 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.000 34.208 7.909) 35.110 2.214 ( -0.000 29.608 27.639) 40.504 2.587 ( -0.000 12.922 21.340) 24.947 3.142 ( -0.000 8.812 2.602) 9.188 3.505 ( -0.000 2.707 13.705) 13.969 3.987 ( 0.000 -3.434 -1.592) 3.785 4.812 ( 0.000 -20.030 -11.104) 22.902 5.044 ( -0.000 25.993 20.966) 33.394 5.073 ( 0.000 13.980 -3.762) 14.477 5.896 ( 0.000 -11.405 -19.789) 22.840 6.683 ( 0.000 2.713 -15.049) 15.291 7.648 ( 0.000 -6.687 -11.839) 13.597 8.310 ( -0.000 -4.903 5.236) 7.173 8.391 ( -0.000 0.362 1.361) 1.409 8.822 ( 0.000 5.704 -3.516) 6.701 8.906 ( -0.000 1.956 0.680) 2.070 9.779 ( -0.000 -12.151 15.458) 19.662 11.279 ( -0.000 -20.126 1.336) 20.170 20.374 ( -0.000 -2.663 0.162) 2.668 20.413 ( 0.000 -1.428 -1.261) 1.905 20.504 ( 0.000 -0.525 -0.228) 0.572 20.511 ( 0.000 0.365 -0.483) 0.606 24.818 ( -0.000 -4.701 4.277) 6.356 24.841 ( -0.000 -1.149 1.011) 1.530 32.207 ( -0.000 -0.705 0.209) 0.736 32.245 ( 0.000 1.034 -1.561) 1.872 42.185 ( -0.000 7.150 -0.060) 7.150 42.920 ( 0.000 3.063 -6.179) 6.897 43.176 ( -0.000 6.989 -0.056) 6.989 44.811 ( 0.000 48.704 -48.454) 68.701 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.564 25.093 15.982) 30.098 2.303 ( -18.223 32.393 19.500) 41.972 2.881 ( 6.108 1.194 3.459) 7.120 3.288 ( -5.421 6.413 5.772) 10.189 3.726 ( 20.518 11.521 13.315) 27.037 4.100 ( 16.699 -5.618 -3.142) 17.897 4.426 ( -8.747 -24.185 -13.272) 28.941 5.173 ( 0.054 9.295 -5.459) 10.780 5.483 ( 0.699 28.498 17.434) 33.415 5.829 ( 11.709 -1.044 -9.431) 15.071 6.580 ( -4.254 0.679 -18.900) 19.385 7.580 ( 5.080 -9.793 -2.974) 11.426 8.221 ( -4.402 -3.902 8.381) 10.239 8.485 ( 4.649 1.975 -0.443) 5.070 8.895 ( 4.531 5.327 -3.746) 7.934 8.951 ( 3.421 -1.103 1.512) 3.900 9.673 ( -5.322 -13.383 10.635) 17.904 10.843 ( -27.080 -18.462 0.064) 32.775 20.338 ( -0.581 -3.002 0.311) 3.074 20.414 ( 1.178 -1.530 -0.334) 1.960 20.485 ( -0.614 -0.166 -1.126) 1.293 20.510 ( -0.453 -0.020 -0.688) 0.824 24.791 ( -0.758 -2.593 2.775) 3.873 24.830 ( -0.395 -1.290 0.734) 1.536 32.196 ( -0.745 -0.241 0.208) 0.810 32.255 ( 0.814 1.240 -1.790) 2.325 42.365 ( 11.831 6.091 0.453) 13.315 42.890 ( -2.863 4.273 -6.581) 8.353 43.353 ( 11.667 6.855 2.735) 13.805 44.991 ( -0.763 30.692 -37.480) 48.449 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -6.115 17.192 28.873) 34.156 2.584 ( -2.268 20.936 12.156) 24.315 3.013 ( 7.032 15.842 -11.329) 20.707 3.307 ( 8.518 -0.851 3.015) 9.076 3.837 ( -16.580 -18.655 -9.971) 26.876 4.266 ( 20.017 7.774 4.130) 21.867 4.453 ( 25.897 -12.063 -1.010) 28.587 5.187 ( -2.299 4.860 -5.231) 7.501 5.603 ( -1.491 5.128 -6.095) 8.104 6.226 ( 3.492 27.648 14.979) 31.638 6.391 ( -0.639 -3.227 -21.097) 21.352 7.555 ( 3.802 -14.680 8.236) 17.257 8.223 ( 1.688 0.213 9.641) 9.790 8.549 ( 0.770 4.591 -3.832) 6.029 8.988 ( 3.370 -4.915 0.751) 6.006 9.012 ( 4.233 3.533 -2.072) 5.890 9.474 ( -7.167 -12.493 4.948) 15.230 10.143 ( -34.441 -14.088 0.581) 37.216 20.305 ( -0.055 -3.254 0.358) 3.274 20.402 ( -1.445 -0.720 1.481) 2.191 20.461 ( -1.482 -0.419 -2.384) 2.838 20.506 ( 1.294 -0.363 -1.187) 1.793 24.774 ( -0.478 -1.173 1.556) 2.006 24.812 ( -0.577 -1.165 0.353) 1.347 32.186 ( -0.473 0.552 0.264) 0.773 32.274 ( 0.888 1.265 -1.786) 2.362 42.642 ( 13.876 3.598 1.570) 14.420 42.865 ( -1.366 5.363 -7.285) 9.149 43.698 ( 18.648 5.884 7.381) 20.901 44.987 ( -7.328 17.354 -29.409) 34.925 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 0.486 12.292 28.106) 30.681 2.618 ( -5.760 2.521 3.962) 7.432 3.128 ( -11.489 -5.342 -13.742) 18.692 3.384 ( 5.643 10.698 -11.828) 16.917 3.792 ( 23.234 9.285 10.430) 27.108 4.609 ( 8.136 -16.453 -3.456) 18.678 4.667 ( 23.249 2.276 -4.753) 23.838 5.212 ( 0.264 7.965 -0.526) 7.987 5.591 ( 1.979 -0.726 -6.603) 6.931 6.058 ( -11.707 -3.784 -20.926) 24.275 6.630 ( -5.731 23.085 14.168) 27.686 7.511 ( 1.312 -15.115 13.508) 20.314 8.349 ( 2.193 5.047 11.237) 12.512 8.580 ( 2.351 3.515 -5.368) 6.833 8.931 ( -5.425 -7.229 1.555) 9.171 9.022 ( -1.475 -4.278 -3.778) 5.895 9.308 ( -0.602 -7.302 1.235) 7.431 9.567 ( -20.989 -5.809 1.775) 21.850 20.274 ( -0.583 -2.365 0.389) 2.467 20.365 ( -2.897 -1.172 0.661) 3.194 20.431 ( -0.064 0.534 -1.231) 1.343 20.520 ( 1.609 -1.085 -1.221) 2.293 24.767 ( -0.136 -0.460 0.750) 0.890 24.793 ( -0.557 -0.869 0.053) 1.034 32.197 ( 0.478 1.453 0.403) 1.582 32.287 ( 0.243 0.914 -1.452) 1.733 42.852 ( 2.366 4.579 -3.846) 6.431 42.912 ( 9.121 2.714 -0.491) 9.529 44.138 ( 22.209 4.386 10.272) 24.859 44.808 ( -12.907 8.932 -23.611) 28.352 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -9.083 -10.002 1.369) 13.580 2.639 ( -8.804 -7.387 1.433) 11.581 2.988 ( 6.220 14.889 4.558) 16.767 3.642 ( 10.246 10.246 -6.277) 15.791 4.292 ( 14.658 4.362 10.339) 18.460 4.452 ( -0.615 -11.561 -9.957) 15.270 5.085 ( 26.964 1.469 -11.089) 29.192 5.206 ( -6.584 0.409 -9.300) 11.402 5.591 ( 3.655 -3.314 1.244) 5.088 5.793 ( -9.237 8.844 -8.611) 15.417 6.705 ( -13.040 18.409 10.137) 24.733 7.386 ( -9.688 -13.293 18.140) 24.487 8.441 ( 2.595 0.115 2.328) 3.488 8.631 ( -1.900 -5.934 -4.506) 7.689 8.798 ( 3.201 0.244 3.679) 4.883 8.902 ( -4.133 -9.206 2.543) 10.406 9.292 ( -2.513 1.221 -2.013) 3.443 9.330 ( -3.168 -1.256 0.172) 3.412 20.249 ( -0.745 -0.775 0.110) 1.080 20.306 ( -2.271 -1.285 0.223) 2.619 20.451 ( 1.692 0.909 -0.574) 2.005 20.522 ( 0.774 -1.653 -0.628) 1.930 24.766 ( 0.111 -0.117 0.278) 0.321 24.778 ( -0.491 -0.556 -0.104) 0.749 32.232 ( 1.282 1.996 0.422) 2.410 32.283 ( -0.719 0.328 -0.839) 1.153 42.881 ( -0.351 5.176 -5.508) 7.566 43.093 ( 8.352 0.445 3.174) 8.946 44.475 ( -10.483 3.773 -15.558) 19.136 44.642 ( 16.831 2.674 6.962) 18.409 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -14.906 -11.609 0.428) 18.898 2.605 ( 7.155 -2.609 -6.224) 9.835 3.253 ( 3.688 10.573 5.531) 12.489 3.711 ( 0.520 -14.692 2.645) 14.937 4.272 ( 2.092 -6.808 -9.480) 11.857 4.547 ( 2.560 11.317 -4.705) 12.520 4.883 ( -13.756 0.396 -18.693) 23.212 5.368 ( 3.033 1.547 -6.867) 7.664 5.763 ( -0.461 6.546 0.657) 6.595 5.868 ( 18.462 6.876 9.886) 22.042 6.726 ( -5.981 9.690 5.320) 12.568 7.205 ( -11.502 -0.419 22.422) 25.203 8.326 ( -11.030 -11.638 -10.950) 19.417 8.544 ( 5.255 -3.118 -1.389) 6.266 8.751 ( 0.551 -14.244 6.247) 15.563 8.976 ( 3.937 5.948 7.175) 10.117 9.211 ( -1.379 0.266 -5.450) 5.628 9.391 ( 4.178 2.801 0.929) 5.115 20.231 ( -0.528 -0.134 -0.781) 0.952 20.285 ( 0.242 -0.242 1.180) 1.228 20.488 ( 1.876 0.896 -0.958) 2.289 20.511 ( 0.199 -1.851 0.144) 1.868 24.765 ( -0.512 -0.323 -0.142) 0.621 24.771 ( 0.312 0.052 0.042) 0.319 32.255 ( -1.326 0.140 -0.455) 1.409 32.284 ( 1.238 1.580 0.491) 2.066 42.882 ( -2.070 3.795 -4.153) 5.994 43.226 ( 5.168 0.354 3.515) 6.260 44.138 ( -17.990 1.096 -15.270) 23.622 45.061 ( 21.260 0.894 8.818) 23.034 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -11.175 -6.958 6.354) 14.617 2.676 ( 7.379 -6.088 -8.252) 12.634 3.328 ( -2.768 0.544 3.960) 4.863 3.549 ( 2.176 -14.787 2.310) 15.123 4.230 ( -2.165 2.709 -5.623) 6.606 4.544 ( -4.719 -12.282 -3.493) 13.613 4.674 ( -15.116 28.462 -18.806) 37.312 5.322 ( -5.978 5.551 -2.350) 8.490 5.822 ( 5.308 2.490 -4.997) 7.703 6.257 ( 17.793 -5.392 13.596) 23.033 6.631 ( -12.701 -6.883 9.997) 17.568 7.288 ( -5.194 18.064 8.959) 20.822 7.954 ( -11.745 -5.820 -8.977) 15.887 8.586 ( 4.074 -1.251 -0.451) 4.286 8.751 ( 8.614 -11.034 5.400) 15.004 9.086 ( 1.974 5.001 2.580) 5.963 9.221 ( 5.260 -1.313 -4.077) 6.783 9.498 ( 6.556 -1.761 3.517) 7.646 20.232 ( 1.190 0.317 -0.858) 1.500 20.305 ( 1.055 -0.019 1.151) 1.561 20.495 ( -0.046 -0.778 0.552) 0.955 20.524 ( 1.746 0.308 -1.211) 2.147 24.752 ( -0.635 -0.170 -0.069) 0.661 24.778 ( 0.508 0.124 -0.033) 0.524 32.224 ( -1.747 -0.378 -0.008) 1.787 32.320 ( 0.909 1.259 0.099) 1.557 42.838 ( -4.811 2.213 -2.626) 5.911 43.306 ( 2.227 0.424 1.690) 2.828 43.783 ( -17.734 0.799 -8.970) 19.890 45.426 ( 18.334 -0.835 3.885) 18.760 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -9.916 -5.285 13.653) 17.682 2.583 ( -6.452 -9.218 1.155) 11.311 3.231 ( -5.715 -3.388 1.470) 6.804 3.679 ( 18.362 -2.424 -3.604) 18.869 4.067 ( -17.008 1.919 -4.884) 17.799 4.271 ( -16.199 -2.340 -1.810) 16.467 4.624 ( -9.867 23.763 -13.214) 28.925 5.270 ( -2.820 -5.441 3.636) 7.126 5.916 ( 2.183 2.938 -10.508) 11.127 6.273 ( -21.096 -7.871 11.914) 25.475 6.568 ( 18.509 -5.962 9.908) 21.824 7.252 ( -8.326 6.760 -8.490) 13.678 7.864 ( -0.333 2.454 4.943) 5.529 8.692 ( 5.337 5.465 -0.576) 7.660 8.791 ( 2.526 -4.502 1.888) 5.497 9.154 ( -2.468 3.609 -0.218) 4.378 9.338 ( 8.771 3.767 -4.522) 10.563 9.656 ( 21.176 -12.988 8.497) 26.254 20.266 ( 2.435 0.981 -1.079) 2.838 20.325 ( 1.308 -0.917 1.471) 2.172 20.499 ( 0.664 -0.197 0.306) 0.757 20.543 ( 0.807 0.550 -1.415) 1.719 24.740 ( -0.734 -0.038 0.209) 0.764 24.789 ( 0.685 0.119 0.012) 0.696 32.196 ( -1.136 -0.358 0.151) 1.200 32.334 ( -0.148 0.499 -0.465) 0.698 42.738 ( -8.143 1.758 -1.168) 8.412 43.296 ( -2.058 -2.808 -7.747) 8.494 43.519 ( -14.012 5.221 4.630) 15.653 45.682 ( 14.144 -2.889 -4.309) 15.066 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -11.942 -5.068 19.280) 23.238 2.329 ( -18.463 -4.744 4.826) 19.664 3.152 ( -2.628 -1.122 2.641) 3.891 3.502 ( -24.769 -1.959 -15.250) 29.153 3.960 ( -24.576 9.048 7.888) 27.350 4.156 ( 23.003 -1.445 -5.718) 23.748 4.627 ( -12.026 18.303 -4.849) 22.431 5.121 ( -6.767 -13.255 8.005) 16.899 5.572 ( -27.898 -4.195 4.749) 28.609 6.227 ( 6.566 9.327 -11.722) 16.356 6.849 ( 15.246 -5.221 -2.700) 16.339 7.244 ( 5.272 3.675 4.417) 7.798 7.937 ( 3.875 1.493 7.114) 8.237 8.748 ( -2.516 1.185 -5.478) 6.143 8.843 ( 4.889 0.407 4.551) 6.692 9.095 ( -5.589 1.183 -1.420) 5.886 9.424 ( 1.178 1.889 -0.149) 2.231 10.054 ( 33.594 -13.442 3.364) 36.340 20.311 ( 2.032 1.423 -0.687) 2.574 20.356 ( 2.938 -1.145 1.380) 3.442 20.507 ( 0.931 -0.960 -0.623) 1.475 20.548 ( -0.415 1.162 -1.209) 1.728 24.732 ( -0.539 0.109 0.942) 1.091 24.803 ( 0.815 0.036 0.174) 0.835 32.182 ( -0.128 -0.290 0.046) 0.320 32.321 ( -1.143 0.002 -1.053) 1.554 42.600 ( -10.837 3.547 0.897) 11.438 43.134 ( -5.348 -3.538 -10.287) 12.122 43.442 ( -9.712 7.456 9.789) 15.676 45.777 ( 7.490 -5.148 -17.710) 19.906 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -0.000 25.781 6.611) 26.615 2.756 ( -0.000 -3.214 6.610) 7.350 2.971 ( -0.000 17.600 21.894) 28.092 3.534 ( -0.000 22.656 8.117) 24.066 3.619 ( -0.000 -2.624 4.397) 5.121 3.814 ( 0.000 -7.815 -6.970) 10.472 4.202 ( 0.000 -23.595 -11.121) 26.084 5.173 ( 0.000 1.932 -11.666) 11.825 5.670 ( 0.000 3.831 -6.817) 7.819 5.955 ( -0.000 39.283 21.737) 44.896 6.571 ( 0.000 3.686 -13.568) 14.060 7.402 ( 0.000 -10.221 -6.533) 12.130 8.257 ( -0.000 -8.388 8.509) 11.949 8.456 ( -0.000 2.446 5.910) 6.396 8.883 ( 0.000 5.576 -5.741) 8.004 8.930 ( -0.000 0.003 1.009) 1.009 9.625 ( -0.000 -15.043 7.722) 16.909 10.868 ( 0.000 -22.253 -2.391) 22.381 20.325 ( 0.000 -2.498 -0.035) 2.498 20.369 ( 0.000 -2.106 -0.471) 2.158 20.488 ( 0.000 -0.545 -0.912) 1.062 20.516 ( 0.000 0.682 -0.210) 0.714 24.785 ( -0.000 -2.206 2.146) 3.078 24.823 ( -0.000 -1.483 0.564) 1.586 32.204 ( -0.000 0.217 0.360) 0.421 32.249 ( 0.000 1.078 -1.894) 2.179 42.335 ( 0.000 8.697 -1.064) 8.762 42.940 ( 0.000 3.793 -3.207) 4.968 43.317 ( -0.000 7.293 0.306) 7.300 45.122 ( 0.000 25.992 -29.565) 39.366 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 3.458 14.135 18.388) 23.450 2.789 ( 6.762 -0.146 1.121) 6.856 2.964 ( -7.340 -5.049 2.676) 9.302 3.454 ( -11.668 15.390 0.795) 19.329 3.745 ( 0.666 -14.807 -16.054) 21.850 4.004 ( 7.616 -3.102 6.218) 10.309 4.098 ( 17.517 9.160 7.614) 21.183 5.142 ( 3.154 -0.742 -9.987) 10.499 5.674 ( -3.364 5.687 -3.211) 7.346 6.330 ( -0.450 9.100 -17.693) 19.902 6.625 ( -2.797 33.115 19.920) 38.746 7.335 ( 6.651 -13.311 -0.996) 14.913 8.220 ( 1.801 -7.076 9.589) 12.052 8.538 ( 2.101 2.018 4.404) 5.281 8.918 ( 1.489 1.661 -3.408) 4.073 8.966 ( 3.439 2.237 -2.087) 4.602 9.471 ( -4.571 -14.518 4.274) 15.810 10.451 ( -20.627 -20.840 -2.751) 29.451 20.284 ( -0.970 -2.751 0.288) 2.931 20.381 ( 2.713 -1.749 -0.086) 3.229 20.465 ( -1.337 -0.554 -1.377) 1.997 20.512 ( -1.229 0.817 -0.277) 1.501 24.775 ( -0.221 -1.344 1.397) 1.950 24.808 ( -0.270 -1.373 0.282) 1.427 32.203 ( -0.626 0.683 0.360) 0.994 32.260 ( 1.033 1.141 -1.781) 2.354 42.492 ( 8.986 7.056 -1.052) 11.474 42.929 ( -3.176 4.487 -3.025) 6.275 43.506 ( 13.046 5.705 2.995) 14.550 45.156 ( -6.324 18.283 -23.123) 30.149 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -1.718 -23.480 -0.006) 23.543 2.826 ( -0.997 0.561 24.363) 24.389 3.113 ( 3.083 11.283 -8.171) 14.269 3.535 ( -6.490 20.248 2.272) 21.384 3.591 ( 13.995 3.086 -4.340) 14.974 4.165 ( 14.949 -6.896 -1.009) 16.494 4.409 ( 9.255 -2.119 -1.147) 9.563 5.223 ( 7.711 6.317 -0.485) 9.980 5.601 ( -7.148 0.286 -6.058) 9.374 6.148 ( -10.188 5.514 -21.390) 24.326 7.057 ( -2.647 31.780 17.359) 36.309 7.310 ( 5.763 -17.036 6.446) 19.105 8.316 ( 9.961 -2.809 8.300) 13.267 8.576 ( -1.773 0.976 2.323) 3.080 8.933 ( 1.040 -0.293 -0.816) 1.354 8.994 ( -1.766 -1.784 -7.394) 7.809 9.277 ( -3.444 -10.599 4.224) 11.918 9.871 ( -23.790 -14.045 -1.241) 27.654 20.253 ( 0.045 -2.589 0.683) 2.678 20.400 ( -0.912 -1.063 1.450) 2.016 20.426 ( 0.119 -0.580 -2.870) 2.931 20.496 ( -0.912 0.456 -0.486) 1.129 24.767 ( -0.121 -0.671 0.771) 1.029 24.792 ( -0.346 -1.025 0.039) 1.083 32.208 ( 0.042 1.121 0.485) 1.222 32.280 ( 0.844 1.147 -1.541) 2.098 42.720 ( 11.643 3.908 -0.439) 12.289 42.916 ( -1.878 5.451 -3.752) 6.879 43.856 ( 20.183 3.075 6.466) 21.415 45.034 ( -13.270 11.853 -17.894) 25.235 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 0.989 -21.539 -0.982) 21.584 2.749 ( -12.050 -5.946 -0.826) 13.462 3.197 ( -2.344 18.316 13.369) 22.797 3.645 ( -0.136 8.789 5.633) 10.440 4.128 ( 19.936 10.555 9.088) 24.319 4.251 ( 9.692 -11.652 -8.033) 17.153 4.524 ( 21.981 -3.271 -12.545) 25.519 5.350 ( -13.478 2.575 -14.270) 19.797 5.479 ( 10.190 3.612 4.571) 11.738 5.987 ( -8.564 11.562 -12.189) 18.857 7.200 ( -15.319 16.328 12.336) 25.563 7.298 ( 5.328 -14.404 7.971) 17.303 8.459 ( 3.847 -11.413 -1.862) 12.187 8.550 ( -2.882 2.482 7.101) 8.055 8.792 ( -5.433 -5.264 -3.971) 8.544 8.938 ( -1.236 1.184 2.252) 2.829 9.256 ( 3.573 -1.452 1.580) 4.168 9.459 ( -13.396 -5.952 -1.867) 14.777 20.242 ( 0.560 -1.660 0.955) 1.995 20.339 ( -3.476 -1.113 -0.870) 3.752 20.441 ( 1.142 0.546 -0.090) 1.269 20.489 ( 0.510 -0.580 -0.833) 1.136 24.765 ( 0.043 -0.275 0.343) 0.442 24.778 ( -0.322 -0.615 -0.084) 0.699 32.232 ( 1.041 1.399 0.597) 1.843 32.291 ( -0.072 0.840 -1.134) 1.413 42.917 ( 2.570 4.392 -1.128) 5.213 42.947 ( 7.339 2.523 -2.078) 8.034 44.276 ( 23.176 0.781 7.165) 24.271 44.782 ( -18.058 7.234 -13.136) 23.473 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -7.557 -13.574 1.312) 15.591 2.529 ( -4.030 -1.159 -5.649) 7.035 3.430 ( -0.136 15.016 11.998) 19.221 3.647 ( -6.179 -5.489 3.962) 9.166 4.086 ( 3.248 -14.833 -4.357) 15.797 4.453 ( 6.946 -1.159 -1.805) 7.270 5.041 ( 31.539 7.521 -6.955) 33.161 5.123 ( -9.188 14.532 -17.339) 24.418 5.711 ( 9.792 2.285 8.757) 13.334 5.922 ( -7.613 9.129 -5.752) 13.205 7.068 ( -20.774 8.015 3.938) 22.612 7.277 ( 6.373 -11.439 13.822) 19.040 8.309 ( -6.178 -10.857 -1.938) 12.641 8.446 ( -0.376 -6.566 -4.349) 7.885 8.738 ( -5.555 -4.129 5.515) 8.850 9.012 ( 4.032 6.832 4.795) 9.269 9.243 ( -6.627 -2.961 -3.930) 8.254 9.336 ( 5.005 1.194 -0.176) 5.149 20.244 ( -0.404 0.017 0.324) 0.518 20.280 ( -0.980 -1.420 -0.068) 1.726 20.466 ( 1.233 0.762 -0.227) 1.467 20.489 ( 0.616 -0.873 -0.464) 1.165 24.767 ( 0.201 -0.070 0.097) 0.234 24.768 ( -0.330 -0.277 -0.097) 0.442 32.270 ( 1.096 1.287 0.293) 1.716 32.283 ( -0.669 0.336 -0.429) 0.863 42.940 ( -1.758 4.544 -1.945) 5.246 43.112 ( 8.917 0.136 -0.252) 8.922 44.443 ( -20.230 5.627 -7.637) 22.343 44.713 ( 22.983 -1.977 4.544) 23.511 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -9.679 -4.793 6.613) 12.664 2.530 ( 5.058 1.753 -5.120) 7.407 3.429 ( -8.798 -8.082 1.174) 12.004 3.485 ( -6.127 -1.407 2.164) 6.649 4.121 ( 11.258 0.103 0.099) 11.259 4.479 ( 1.411 -4.853 -3.526) 6.162 5.090 ( -11.476 25.204 -14.406) 31.217 5.411 ( 5.118 8.569 -4.894) 11.116 5.820 ( -6.214 0.559 -3.475) 7.142 5.972 ( 16.553 -7.007 12.747) 22.035 6.801 ( -13.363 -4.152 4.516) 14.704 7.436 ( 8.448 0.131 4.384) 9.519 8.057 ( -10.261 -2.745 -1.434) 10.718 8.449 ( 7.124 -3.959 -2.498) 8.524 8.610 ( -4.119 -6.347 7.499) 10.653 9.124 ( -1.055 -2.937 -5.745) 6.538 9.154 ( 1.771 5.246 4.096) 6.888 9.423 ( 4.139 0.059 -0.130) 4.141 20.228 ( -0.689 0.531 -0.561) 1.035 20.285 ( 1.507 -0.936 0.971) 2.022 20.484 ( 0.543 -0.839 -0.040) 1.000 20.498 ( 1.251 0.857 -0.673) 1.659 24.760 ( -0.442 -0.057 -0.029) 0.446 24.771 ( 0.382 0.024 -0.004) 0.382 32.254 ( -1.958 0.172 -0.189) 1.974 32.310 ( 1.487 0.511 0.124) 1.577 42.927 ( -3.606 3.117 -0.514) 4.794 43.229 ( 5.751 -0.734 -2.498) 6.313 44.120 ( -20.834 5.652 -1.057) 21.613 45.079 ( 21.589 -3.527 0.036) 21.876 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -8.949 -1.008 14.524) 17.089 2.619 ( 1.309 4.562 0.215) 4.751 3.318 ( -0.250 -4.495 -0.668) 4.551 3.363 ( 1.706 -1.155 -3.500) 4.061 4.336 ( -13.268 -0.751 -5.802) 14.501 4.353 ( 7.624 7.203 3.374) 11.018 4.990 ( -17.106 14.850 -6.665) 23.613 5.377 ( -10.824 2.545 -2.167) 11.328 5.805 ( 6.802 4.349 -9.717) 12.633 6.205 ( 16.158 -13.586 12.576) 24.572 6.573 ( -13.072 -7.316 5.972) 16.126 7.373 ( -5.604 -5.758 -11.931) 14.384 8.023 ( -7.286 8.939 11.494) 16.282 8.593 ( 14.854 -1.316 -1.351) 14.974 8.622 ( 6.077 -2.865 5.489) 8.675 9.110 ( 7.262 -3.328 -4.912) 9.378 9.217 ( -0.073 4.184 1.559) 4.466 9.462 ( 2.189 -3.382 0.556) 4.067 20.237 ( 1.331 0.816 -0.458) 1.627 20.305 ( 1.211 -0.907 1.102) 1.872 20.481 ( 0.334 -0.755 -0.493) 0.962 20.527 ( 1.418 1.019 -0.684) 1.875 24.752 ( -0.562 0.090 0.154) 0.589 24.780 ( 0.565 0.028 -0.002) 0.566 32.220 ( -1.964 0.024 0.041) 1.964 32.329 ( 0.724 -0.193 -0.430) 0.864 42.876 ( -5.792 2.514 1.000) 6.393 43.244 ( 0.462 -2.656 -7.515) 7.984 43.883 ( -17.245 8.604 8.136) 20.919 45.348 ( 17.495 -5.274 -7.353) 19.696 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -10.242 0.017 20.000) 22.470 2.594 ( -11.424 4.951 0.269) 12.453 3.261 ( -4.449 4.573 5.503) 8.426 3.572 ( 18.450 1.917 -9.354) 20.774 3.958 ( -21.742 -1.818 -11.640) 24.729 4.459 ( -13.093 12.332 9.252) 20.226 4.841 ( -4.877 3.463 -2.783) 6.597 5.190 ( -9.776 -2.274 1.429) 10.138 5.890 ( -5.298 5.292 -11.218) 13.488 6.257 ( -9.768 -3.459 6.856) 12.425 6.452 ( 19.981 -10.134 0.907) 22.422 7.252 ( 0.614 -2.160 -1.649) 2.786 8.007 ( -5.480 2.993 10.856) 12.524 8.702 ( 4.323 -5.473 0.269) 6.979 8.785 ( 5.629 3.590 1.535) 6.851 9.137 ( 0.105 -4.041 -1.819) 4.433 9.412 ( 6.689 7.394 -6.275) 11.781 9.470 ( 16.739 -9.721 3.615) 19.692 20.278 ( 2.724 0.690 -0.520) 2.857 20.323 ( 1.255 -0.631 1.522) 2.071 20.475 ( 0.563 -1.028 -1.252) 1.716 20.552 ( 0.661 1.014 -0.658) 1.377 24.746 ( -0.518 0.195 0.551) 0.781 24.791 ( 0.739 -0.049 0.090) 0.746 32.193 ( -1.321 -0.024 -0.021) 1.322 32.326 ( -0.222 -0.557 -0.971) 1.141 42.800 ( -7.628 3.579 2.843) 8.892 43.132 ( -4.089 -3.164 -9.785) 11.067 43.783 ( -13.458 10.714 13.208) 21.688 45.473 ( 11.486 -6.817 -17.469) 21.990 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 0.000 7.226 -16.778) 18.268 2.688 ( 0.000 -41.156 -13.507) 43.316 2.874 ( -0.000 0.735 26.844) 26.854 3.600 ( 0.000 -5.087 -8.404) 9.823 3.812 ( -0.000 10.700 6.476) 12.507 4.022 ( -0.000 2.612 8.937) 9.311 4.086 ( -0.000 23.573 9.589) 25.449 5.055 ( 0.000 0.856 -7.813) 7.860 5.751 ( 0.000 4.377 -1.372) 4.587 6.334 ( 0.000 7.785 -20.252) 21.696 7.123 ( 0.000 -11.850 -5.408) 13.026 7.124 ( -0.000 39.228 23.514) 45.735 8.137 ( -0.000 -13.764 10.342) 17.217 8.589 ( -0.000 4.205 7.223) 8.358 8.923 ( 0.000 -0.851 -1.873) 2.057 8.930 ( 0.000 5.431 -5.883) 8.007 9.384 ( -0.000 -14.125 1.616) 14.217 10.378 ( 0.000 -24.362 -5.187) 24.908 20.278 ( 0.000 -2.148 -0.184) 2.156 20.327 ( -0.000 -2.034 0.063) 2.035 20.467 ( 0.000 -0.442 -1.071) 1.159 20.534 ( -0.000 1.213 0.099) 1.217 24.770 ( -0.000 -1.078 1.049) 1.504 24.798 ( -0.000 -1.302 0.136) 1.309 32.221 ( -0.000 0.975 0.474) 1.084 32.250 ( 0.000 0.902 -1.725) 1.946 42.485 ( 0.000 7.990 -1.622) 8.153 42.994 ( -0.000 2.260 1.776) 2.875 43.450 ( 0.000 6.029 -0.137) 6.031 45.276 ( 0.000 15.169 -17.737) 23.339 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 5.444 -38.771 -9.507) 40.289 2.824 ( 20.156 3.322 -7.675) 21.822 2.992 ( 4.232 0.056 14.155) 14.774 3.504 ( -2.919 -0.105 -3.563) 4.608 3.815 ( -5.818 4.933 2.397) 7.996 4.111 ( -1.570 3.103 10.754) 11.302 4.358 ( 1.329 13.463 3.554) 13.988 5.135 ( 7.769 7.070 -0.536) 10.518 5.709 ( -6.489 0.124 -3.696) 7.469 6.265 ( -5.863 10.659 -20.210) 23.588 7.031 ( 5.133 -12.452 -1.332) 13.534 7.573 ( -4.654 33.213 18.388) 38.247 8.122 ( 8.165 -11.051 9.716) 16.828 8.657 ( -1.260 4.396 6.039) 7.575 8.894 ( 0.522 -2.628 -4.594) 5.318 8.969 ( 1.045 3.151 -5.574) 6.488 9.234 ( -2.316 -11.721 1.238) 12.011 10.002 ( -13.012 -21.004 -4.817) 25.173 20.241 ( -1.055 -1.982 0.307) 2.266 20.347 ( 3.429 -1.493 -0.237) 3.747 20.442 ( -1.914 -0.391 -0.946) 2.171 20.532 ( -1.637 1.154 0.066) 2.004 24.766 ( -0.039 -0.681 0.660) 0.949 24.786 ( -0.134 -0.973 0.003) 0.983 32.223 ( -0.550 0.877 0.268) 1.070 32.266 ( 1.268 1.056 -1.208) 2.045 42.606 ( 6.579 5.911 -1.449) 8.962 42.994 ( -2.809 2.659 1.828) 4.278 43.619 ( 13.237 3.244 1.863) 13.755 45.258 ( -8.368 11.410 -12.963) 19.190 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 12.200 -26.404 -1.521) 29.126 2.874 ( -7.008 -3.885 0.379) 8.022 3.416 ( 11.499 12.274 3.830) 17.250 3.592 ( 27.603 3.022 0.790) 27.779 3.798 ( -0.625 0.734 4.166) 4.277 4.070 ( -2.871 -11.032 4.498) 12.255 4.455 ( -4.415 11.910 -0.215) 12.704 5.345 ( 6.154 1.109 -0.169) 6.255 5.551 ( -7.122 6.255 -5.650) 11.035 6.186 ( -7.739 15.527 -14.777) 22.788 7.006 ( 7.719 -17.164 4.202) 19.284 7.735 ( -13.816 20.442 9.090) 26.294 8.239 ( 6.893 -9.214 5.026) 12.557 8.666 ( -4.808 -1.547 0.808) 5.114 8.808 ( -1.978 -1.464 -1.642) 2.958 8.961 ( -0.382 0.808 -1.625) 1.854 9.177 ( 3.629 -3.504 0.975) 5.138 9.594 ( -12.925 -11.150 -3.160) 17.360 20.219 ( 0.292 -1.608 0.637) 1.754 20.384 ( -1.288 -0.532 -2.526) 2.885 20.399 ( 1.230 -0.579 1.445) 1.984 20.509 ( -2.015 0.858 -0.058) 2.191 24.763 ( 0.035 -0.363 0.335) 0.495 24.776 ( -0.157 -0.541 -0.058) 0.566 32.231 ( 0.471 0.690 0.394) 0.924 32.289 ( 0.746 1.029 -0.903) 1.560 42.780 ( 9.379 2.937 -0.958) 9.875 42.991 ( -1.849 3.621 0.928) 4.170 43.934 ( 20.334 -0.295 3.452) 20.627 45.096 ( -15.758 8.387 -8.344) 19.705 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 9.481 -10.656 3.902) 14.788 2.649 ( -12.318 -1.616 -7.186) 14.353 3.553 ( -0.975 4.460 4.648) 6.516 3.841 ( -2.580 6.347 11.491) 13.378 3.861 ( -0.285 -17.870 -3.846) 18.281 4.387 ( 32.831 0.869 -2.986) 32.978 4.424 ( 7.067 6.173 2.828) 9.801 5.315 ( -3.403 10.434 -10.059) 14.888 5.644 ( 4.787 2.842 5.220) 7.632 6.138 ( -9.408 13.865 -9.360) 19.192 7.012 ( 9.859 -16.655 6.888) 20.543 7.582 ( -25.742 9.323 1.062) 27.398 8.192 ( 4.320 -12.308 0.741) 13.065 8.486 ( -8.971 -2.987 -4.150) 10.326 8.840 ( -3.265 1.265 6.197) 7.118 8.984 ( 4.137 0.266 -0.912) 4.245 9.248 ( 5.795 0.269 -0.911) 5.872 9.339 ( -8.810 -2.183 -1.306) 9.170 20.225 ( 1.397 -1.065 0.641) 1.870 20.317 ( -3.735 -0.005 -1.029) 3.874 20.441 ( 2.318 -0.135 0.463) 2.367 20.488 ( -1.026 0.485 -0.234) 1.159 24.763 ( 0.148 -0.166 0.115) 0.251 24.770 ( -0.179 -0.166 -0.050) 0.249 32.255 ( 1.409 0.289 0.382) 1.488 32.298 ( -0.368 0.774 -0.518) 1.002 42.954 ( 9.628 0.771 -1.010) 9.712 43.005 ( -1.522 3.421 1.252) 3.948 44.301 ( 23.415 -2.922 1.775) 23.664 44.833 ( -20.338 6.727 -3.245) 21.665 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -2.970 0.934 8.582) 9.129 2.463 ( -1.763 1.163 -8.547) 8.804 3.494 ( -5.917 -4.373 0.153) 7.359 3.586 ( -7.829 -13.175 -6.525) 16.657 4.024 ( 5.569 8.940 13.641) 17.234 4.375 ( 3.889 1.866 -7.315) 8.492 5.137 ( 28.611 4.646 5.401) 29.484 5.387 ( 0.574 18.000 -9.942) 20.571 5.743 ( 6.943 -8.930 10.054) 15.134 6.002 ( -13.692 5.037 -5.715) 15.668 7.033 ( -5.618 -8.503 5.107) 11.399 7.219 ( -6.178 -7.271 -4.867) 10.711 8.194 ( -1.980 1.579 3.239) 4.111 8.341 ( -0.587 1.288 -5.253) 5.441 8.754 ( -9.296 -1.673 7.558) 12.097 9.010 ( 3.323 -6.171 -7.602) 10.340 9.256 ( -3.693 4.443 4.021) 7.039 9.341 ( 5.256 0.089 -1.428) 5.447 20.247 ( 1.859 -0.699 0.347) 2.016 20.261 ( -2.600 0.457 -0.395) 2.669 20.471 ( 0.955 0.244 0.397) 1.062 20.485 ( 0.406 0.351 -0.349) 0.640 24.766 ( -0.001 0.005 0.008) 0.009 24.766 ( 0.015 0.001 -0.008) 0.017 32.283 ( 1.512 -0.315 0.112) 1.548 32.287 ( -1.284 0.433 -0.112) 1.360 43.008 ( -2.392 2.212 2.156) 3.907 43.096 ( 7.598 -0.427 -2.487) 8.006 44.544 ( -21.248 7.042 3.084) 22.596 44.654 ( 23.105 -4.802 -2.753) 23.759 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -9.279 5.124 13.396) 17.083 2.530 ( 10.182 1.568 -6.554) 12.210 3.323 ( -8.133 1.661 -3.208) 8.899 3.413 ( -0.938 -3.535 -0.512) 3.693 4.289 ( 7.798 8.606 8.352) 14.305 4.441 ( 1.334 5.989 -6.089) 8.644 5.321 ( -9.727 4.672 3.643) 11.389 5.568 ( 1.874 11.413 -9.320) 14.853 5.724 ( -7.436 -6.136 -1.658) 9.782 5.885 ( 11.459 -12.089 7.368) 18.214 6.744 ( -14.545 -4.617 3.241) 15.601 7.141 ( 7.186 -19.533 -10.417) 23.274 8.275 ( 1.246 13.570 8.623) 16.126 8.420 ( 5.239 5.348 -3.801) 8.397 8.619 ( -6.930 -1.427 8.009) 10.686 8.957 ( 4.144 -6.835 -7.975) 11.291 9.275 ( -1.639 2.920 3.426) 4.790 9.397 ( 3.003 -1.471 -1.940) 3.866 20.239 ( -0.736 0.791 0.009) 1.080 20.272 ( 1.822 -0.949 0.186) 2.063 20.481 ( -0.461 0.737 -0.181) 0.888 20.505 ( 1.706 0.272 -0.191) 1.738 24.762 ( -0.395 0.204 0.093) 0.454 24.771 ( 0.437 -0.053 -0.032) 0.442 32.259 ( -2.210 0.354 0.158) 2.243 32.303 ( 1.458 -1.063 -0.332) 1.835 42.987 ( -3.862 1.591 3.322) 5.336 43.157 ( 3.209 -2.025 -5.777) 6.912 44.320 ( -18.645 9.473 10.436) 23.373 44.934 ( 20.066 -6.405 -9.365) 23.051 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -10.026 2.518 18.418) 21.121 2.672 ( 7.507 -1.826 -7.015) 10.436 3.275 ( -1.170 9.145 -9.221) 13.039 3.502 ( 4.457 12.597 9.182) 16.212 4.287 ( -17.838 3.116 -4.335) 18.620 4.599 ( 8.666 11.506 0.445) 14.411 5.070 ( -20.532 -5.262 8.077) 22.682 5.393 ( -15.245 1.508 -2.068) 15.459 5.825 ( 12.866 8.243 -13.049) 20.093 5.986 ( 16.462 -15.937 1.370) 22.953 6.470 ( -15.048 -7.568 2.028) 16.965 7.047 ( 9.938 -18.938 -0.520) 21.394 8.299 ( -15.049 7.902 9.168) 19.312 8.589 ( 6.240 3.347 2.941) 7.668 8.707 ( 9.244 5.012 1.032) 10.565 8.968 ( 8.825 -5.798 -4.727) 11.568 9.299 ( 1.539 1.940 1.104) 2.711 9.396 ( 0.912 -1.617 -3.217) 3.714 20.248 ( 1.009 0.374 0.048) 1.077 20.293 ( 1.883 -1.182 0.413) 2.261 20.473 ( -0.967 0.952 -0.833) 1.592 20.537 ( 1.658 0.380 -0.194) 1.712 24.758 ( -0.442 0.256 0.274) 0.580 24.779 ( 0.601 -0.108 0.003) 0.611 32.225 ( -2.240 0.325 0.098) 2.266 32.307 ( 0.837 -1.305 -0.703) 1.703 42.949 ( -4.883 2.144 4.404) 6.916 43.108 ( -1.631 -2.761 -8.055) 8.670 44.209 ( -15.396 11.855 15.677) 24.966 45.094 ( 15.003 -7.667 -17.472) 24.272 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -35.354 -4.394) 35.626 2.594 ( 0.000 4.946 -7.079) 8.635 2.999 ( -0.000 -7.012 4.635) 8.405 3.529 ( -0.000 0.777 5.689) 5.742 3.853 ( 0.000 -0.958 -3.847) 3.964 4.212 ( -0.000 -0.464 8.742) 8.754 4.548 ( -0.000 12.774 8.554) 15.374 5.159 ( -0.000 11.922 1.640) 12.034 5.732 ( 0.000 -4.578 -2.606) 5.267 6.331 ( 0.000 13.240 -17.491) 21.937 6.886 ( 0.000 -5.846 -5.412) 7.967 7.892 ( -0.000 -6.146 7.393) 9.614 8.115 ( -0.000 24.929 20.260) 32.123 8.742 ( -0.000 5.029 3.907) 6.369 8.810 ( 0.000 -7.885 -8.395) 11.517 8.975 ( 0.000 3.399 -2.519) 4.231 9.144 ( 0.000 -9.986 -0.901) 10.027 9.870 ( 0.000 -20.302 -5.970) 21.162 20.244 ( 0.000 -1.187 -0.119) 1.193 20.295 ( -0.000 -1.311 0.093) 1.314 20.454 ( 0.000 -0.015 -0.519) 0.519 20.557 ( -0.000 0.879 0.121) 0.888 24.763 ( -0.000 -0.543 0.464) 0.714 24.779 ( 0.000 -0.696 -0.026) 0.697 32.244 ( -0.000 0.730 0.366) 0.817 32.252 ( 0.000 0.848 -1.060) 1.357 42.602 ( 0.000 5.457 -1.273) 5.604 43.053 ( -0.000 -0.568 6.604) 6.628 43.535 ( 0.000 3.435 -1.429) 3.720 45.379 ( 0.000 9.618 -8.648) 12.934 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 11.578 -15.613 8.658) 21.278 2.866 ( 10.439 2.007 -3.329) 11.139 2.929 ( 17.697 -3.174 -4.753) 18.597 3.592 ( 0.655 1.361 11.408) 11.507 3.824 ( -0.074 0.331 -2.806) 2.826 4.128 ( -9.379 -6.341 5.069) 12.404 4.654 ( -2.727 5.651 5.917) 8.624 5.304 ( 2.581 5.145 1.880) 6.055 5.639 ( -2.756 -0.870 -3.465) 4.511 6.377 ( -3.085 18.257 -14.148) 23.302 6.815 ( 0.191 -7.801 -0.389) 7.813 7.871 ( 5.895 -7.868 3.324) 10.378 8.369 ( -11.209 12.544 9.589) 19.363 8.643 ( -1.096 -7.343 -7.239) 10.369 8.820 ( 2.718 2.937 1.872) 4.418 8.975 ( -2.019 -0.011 0.394) 2.057 9.092 ( 2.680 -2.379 -0.334) 3.599 9.629 ( -6.303 -9.577 -4.655) 12.374 20.216 ( -1.123 -0.801 0.243) 1.401 20.323 ( 3.396 -0.530 -0.496) 3.472 20.436 ( -1.974 0.268 0.157) 1.998 20.549 ( -1.676 0.421 0.006) 1.728 24.760 ( 0.036 -0.370 0.246) 0.445 24.773 ( -0.049 -0.303 -0.025) 0.308 32.237 ( -0.495 0.318 0.115) 0.600 32.277 ( 1.367 0.804 -0.459) 1.651 42.684 ( 5.027 3.101 -0.691) 5.947 43.060 ( -1.817 -0.149 6.267) 6.527 43.660 ( 12.326 0.219 -0.527) 12.339 45.354 ( -8.994 7.767 -4.432) 12.683 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 13.278 3.046 10.849) 17.415 2.720 ( -4.558 -5.214 -13.062) 14.784 3.516 ( 19.584 0.674 -4.229) 20.047 3.680 ( 6.400 -4.403 5.910) 9.761 3.869 ( 12.019 -2.935 15.157) 19.565 3.951 ( -2.593 4.125 0.107) 4.874 4.585 ( -9.083 -2.033 1.249) 9.391 5.346 ( 2.024 1.842 -1.762) 3.255 5.648 ( 0.696 2.581 1.658) 3.145 6.403 ( -9.579 17.951 -11.027) 23.143 6.772 ( 5.638 -9.913 5.410) 12.622 7.973 ( 4.405 5.372 -3.947) 7.991 8.027 ( -15.483 -19.853 -2.712) 25.323 8.584 ( -6.130 2.439 -2.480) 7.048 8.874 ( -0.532 -2.412 2.835) 3.760 8.962 ( -0.900 2.320 2.284) 3.378 9.152 ( 5.102 0.459 -0.973) 5.215 9.464 ( -7.295 2.201 -1.944) 7.864 20.204 ( 0.215 -0.389 0.293) 0.532 20.356 ( -0.103 0.151 -1.983) 1.991 20.418 ( 0.065 0.762 2.040) 2.178 20.517 ( -2.038 -0.034 -0.095) 2.040 24.759 ( 0.120 -0.234 0.063) 0.270 24.771 ( -0.082 0.053 -0.001) 0.098 32.239 ( 0.543 -0.271 0.193) 0.637 32.301 ( 0.717 0.688 -0.186) 1.011 42.810 ( 7.873 0.701 -0.334) 7.912 43.065 ( -1.290 0.689 5.320) 5.517 43.911 ( 19.188 -3.193 -0.946) 19.475 45.199 ( -16.015 6.588 0.160) 17.318 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 7.636 9.731 4.650) 13.215 2.533 ( -6.525 0.023 -11.329) 13.074 3.458 ( -6.435 -16.322 -1.984) 17.657 3.532 ( -1.194 -6.123 -3.976) 7.397 4.100 ( 5.347 9.072 7.326) 12.828 4.366 ( 1.660 -0.949 0.403) 1.954 4.645 ( 33.998 7.217 11.920) 36.743 5.426 ( 4.175 4.345 -2.562) 6.548 5.659 ( -0.203 -5.887 6.251) 8.589 6.265 ( -14.321 4.419 -4.050) 15.525 6.866 ( 7.138 -0.647 -0.827) 7.215 7.476 ( -21.948 -15.903 -3.288) 27.303 8.172 ( 8.334 9.688 -3.166) 13.166 8.445 ( -9.277 1.602 -3.567) 10.068 8.818 ( -0.959 -5.017 -2.052) 5.505 8.942 ( -3.898 -1.354 2.106) 4.633 9.243 ( 5.527 0.283 -1.412) 5.711 9.393 ( -5.887 4.798 1.740) 7.791 20.216 ( 1.169 -0.011 0.103) 1.174 20.317 ( -3.061 0.834 -0.917) 3.302 20.457 ( 1.372 0.674 1.316) 2.017 20.491 ( -0.684 0.117 -0.029) 0.695 24.760 ( 0.228 -0.158 -0.056) 0.283 24.771 ( -0.166 0.274 0.027) 0.321 32.249 ( 1.328 -0.993 0.033) 1.658 32.309 ( -0.460 0.510 0.190) 0.712 42.943 ( 8.158 -0.867 -1.096) 8.277 43.076 ( -1.431 0.370 5.306) 5.507 44.205 ( 21.939 -5.329 -4.428) 23.007 44.976 ( -19.211 6.759 5.560) 21.111 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 5.932 1.642 -7.413) 9.635 2.426 ( -8.466 8.320 1.681) 11.988 3.276 ( 4.093 -11.286 2.395) 12.242 3.458 ( -2.271 3.151 -6.011) 7.157 4.323 ( 5.995 7.680 9.055) 13.301 4.398 ( 4.766 5.539 -5.569) 9.188 5.299 ( 24.466 1.295 7.770) 25.703 5.503 ( 3.045 1.727 -2.714) 4.430 5.611 ( 0.993 -11.921 11.913) 16.883 5.991 ( -17.892 -0.927 -3.949) 18.346 6.847 ( 0.026 -13.718 -10.580) 17.324 7.033 ( -19.447 -2.259 3.496) 19.888 8.370 ( -0.228 6.717 2.047) 7.025 8.391 ( 6.802 12.566 -6.154) 15.558 8.746 ( 2.835 -7.668 -6.869) 10.678 8.844 ( -9.277 0.651 5.345) 10.726 9.314 ( 4.079 -0.833 -1.885) 4.570 9.360 ( -3.599 1.845 3.060) 5.072 20.238 ( 1.255 -0.054 0.029) 1.257 20.277 ( -2.404 1.113 -0.365) 2.674 20.477 ( 1.251 -0.456 0.370) 1.382 20.501 ( -0.141 1.584 0.337) 1.626 24.763 ( 0.353 -0.138 -0.107) 0.394 24.770 ( -0.295 0.352 0.053) 0.462 32.261 ( 1.599 -1.631 -0.199) 2.293 32.297 ( -1.616 0.379 0.419) 1.712 43.034 ( 4.750 -2.156 -1.466) 5.419 43.074 ( -1.532 -0.155 3.620) 3.934 44.475 ( 20.977 -6.716 -9.849) 24.128 44.775 ( -18.157 8.651 11.543) 23.190 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 11.689 -7.017 -13.898) 19.469 2.369 ( -11.922 6.615 13.898) 19.469 3.454 ( -4.049 15.238 -12.608) 20.188 3.454 ( 15.221 4.113 12.608) 20.188 4.521 ( 5.333 5.402 -5.651) 9.463 4.521 ( 2.012 7.319 5.651) 9.463 5.438 ( 8.235 -13.465 -14.970) 21.754 5.438 ( -15.779 0.399 14.970) 21.754 5.687 ( -1.822 -3.536 -10.299) 11.040 5.687 ( -2.152 -3.346 10.299) 11.040 6.696 ( -8.591 -8.938 -7.408) 14.442 6.696 ( -3.445 -11.909 7.408) 14.442 8.579 ( 2.165 14.184 -5.148) 15.243 8.579 ( 11.201 8.967 5.148) 15.243 8.710 ( 7.416 -8.809 -9.804) 15.124 8.710 ( -11.337 2.018 9.804) 15.124 9.338 ( 1.678 -1.662 -2.933) 3.765 9.338 ( -2.278 0.622 2.933) 3.765 20.256 ( 0.131 0.059 -0.885) 0.896 20.256 ( -0.015 0.143 0.885) 0.896 20.505 ( -0.916 1.609 -0.276) 1.872 20.505 ( 1.851 0.011 0.276) 1.872 24.768 ( 0.488 -0.168 -0.103) 0.526 24.768 ( -0.390 0.339 0.103) 0.526 32.269 ( 1.140 -1.609 -0.485) 2.031 32.269 ( -1.964 0.183 0.485) 2.031 43.050 ( 0.932 -2.389 -6.692) 7.167 43.050 ( -2.535 -0.388 6.692) 7.167 44.662 ( 17.118 -7.682 -17.248) 25.486 44.662 ( -15.211 10.983 17.248) 25.486 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 8.859 25.798) 27.277 2.712 ( -0.000 5.551 4.524) 7.161 2.773 ( 0.000 -5.795 -13.832) 14.997 3.657 ( -0.000 -1.051 15.213) 15.249 3.802 ( 0.000 1.522 -6.556) 6.730 4.188 ( -0.000 -5.716 1.803) 5.994 4.695 ( -0.000 -5.092 5.818) 7.732 5.308 ( 0.000 -4.744 -0.285) 4.753 5.647 ( 0.000 4.318 -1.312) 4.513 6.500 ( 0.000 15.405 -6.616) 16.765 6.812 ( 0.000 2.871 -4.244) 5.124 7.729 ( -0.000 -7.738 1.197) 7.830 8.335 ( 0.000 -27.335 -14.105) 30.760 8.763 ( 0.000 -4.517 -3.725) 5.855 8.795 ( -0.000 16.973 11.898) 20.727 9.025 ( -0.000 3.723 1.553) 4.034 9.065 ( -0.000 0.971 2.616) 2.790 9.616 ( 0.000 3.111 -5.110) 5.983 20.234 ( -0.000 0.181 0.128) 0.222 20.280 ( 0.000 -0.119 -0.171) 0.208 20.459 ( -0.000 0.578 0.454) 0.735 20.565 ( 0.000 -0.178 -0.139) 0.226 24.757 ( -0.000 -0.324 0.097) 0.338 24.772 ( -0.000 0.035 0.008) 0.036 32.250 ( -0.000 -0.320 0.011) 0.320 32.263 ( 0.000 0.865 -0.086) 0.870 42.663 ( -0.000 1.384 0.073) 1.386 43.100 ( -0.000 -3.085 9.883) 10.353 43.548 ( 0.000 0.242 -3.112) 3.122 45.486 ( 0.000 6.567 -0.857) 6.623 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 2.592 22.416 23.813) 32.806 2.595 ( 0.229 -7.912 -19.905) 21.421 3.105 ( 26.409 7.950 11.668) 29.946 3.676 ( -2.392 -2.780 8.034) 8.832 3.817 ( 1.611 -2.412 1.414) 3.227 4.053 ( -6.472 -2.648 -0.912) 7.052 4.616 ( -2.363 -12.279 3.169) 12.899 5.261 ( 3.981 -6.167 -1.316) 7.457 5.697 ( -1.127 5.381 0.895) 5.570 6.643 ( 1.251 17.311 -4.912) 18.038 6.734 ( -8.809 -1.476 1.819) 9.115 7.789 ( 11.707 1.156 -6.754) 13.565 7.917 ( -5.303 -33.576 -11.989) 36.044 8.660 ( -3.080 -4.414 -3.208) 6.266 8.954 ( 0.470 4.340 7.524) 8.699 9.050 ( -4.904 5.830 0.496) 7.634 9.093 ( 1.473 0.378 1.870) 2.410 9.638 ( -6.534 14.609 -3.733) 16.433 20.217 ( -1.395 0.577 0.268) 1.534 20.319 ( 3.003 0.750 -0.700) 3.173 20.456 ( -1.403 0.879 1.323) 2.119 20.546 ( -1.560 -0.617 -0.254) 1.697 24.755 ( 0.081 -0.266 -0.069) 0.286 24.774 ( -0.039 0.347 0.029) 0.350 32.235 ( -0.520 -0.656 -0.017) 0.838 32.288 ( 1.348 0.554 0.248) 1.479 42.706 ( 4.503 -0.962 0.781) 4.670 43.110 ( -0.749 -2.698 9.406) 9.814 43.618 ( 10.735 -2.466 -3.235) 11.480 45.474 ( -8.704 5.505 2.934) 10.709 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -0.985 14.061 -1.971) 14.232 2.480 ( 3.851 0.606 -9.163) 9.957 3.430 ( 2.697 -7.210 -2.130) 7.987 3.525 ( -14.712 -8.076 1.905) 16.891 4.038 ( 27.789 -2.653 17.290) 32.836 4.105 ( 8.755 6.851 4.399) 11.956 4.489 ( 1.333 -5.665 1.254) 5.953 5.315 ( 6.811 -3.129 -0.725) 7.530 5.697 ( -3.323 0.410 3.737) 5.018 6.523 ( -14.334 1.563 0.943) 14.449 6.832 ( 2.929 11.297 -3.707) 12.245 7.438 ( -4.827 -32.457 -7.479) 33.655 8.021 ( 13.820 6.351 -9.465) 17.914 8.564 ( -3.649 -0.400 -0.651) 3.728 8.930 ( -9.104 0.039 -4.420) 10.120 9.017 ( -4.764 6.939 7.211) 11.083 9.157 ( 4.486 0.247 -0.265) 4.501 9.595 ( -11.506 10.696 -2.480) 15.904 20.213 ( -0.114 1.105 0.259) 1.141 20.349 ( -0.296 0.853 -1.690) 1.916 20.464 ( 0.217 1.426 2.524) 2.907 20.508 ( -1.673 -0.603 -0.174) 1.787 24.754 ( 0.190 -0.228 -0.204) 0.360 24.777 ( -0.125 0.526 0.029) 0.541 32.224 ( 0.336 -1.189 -0.087) 1.238 32.313 ( 0.697 0.337 0.581) 0.968 42.796 ( 7.420 -2.309 0.432) 7.783 43.119 ( -0.745 -2.440 8.731) 9.096 43.800 ( 17.153 -4.872 -5.233) 18.584 45.351 ( -14.544 5.261 7.374) 17.134 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.160 -3.990 -21.464) 21.862 2.611 ( 1.985 8.332 1.269) 8.658 3.250 ( -9.898 -1.389 7.090) 12.254 3.385 ( 4.257 -4.004 -6.152) 8.485 4.219 ( 9.549 -13.101 9.175) 18.628 4.395 ( 4.684 10.499 -1.098) 11.549 4.855 ( 30.182 -0.934 10.528) 31.979 5.363 ( 4.381 -7.190 -0.486) 8.433 5.678 ( -1.904 2.916 7.912) 8.644 6.292 ( -17.701 2.734 1.981) 18.020 6.736 ( -6.802 -13.159 -15.363) 21.341 7.223 ( -1.407 -4.943 6.344) 8.165 8.205 ( 11.238 -1.990 -12.496) 16.923 8.558 ( -4.447 11.857 2.961) 13.004 8.730 ( -9.266 1.844 -7.929) 12.335 9.023 ( -6.403 5.668 6.529) 10.759 9.234 ( 4.574 0.545 -0.739) 4.666 9.471 ( -8.137 1.782 -0.542) 8.348 20.232 ( 0.402 1.539 0.214) 1.605 20.324 ( -2.138 0.820 -1.319) 2.642 20.470 ( -0.827 -0.520 1.089) 1.463 20.514 ( 0.855 1.720 0.917) 2.129 24.755 ( 0.313 -0.227 -0.274) 0.474 24.780 ( -0.263 0.548 0.012) 0.608 32.222 ( 1.011 -1.627 -0.146) 1.921 32.320 ( -0.467 0.106 0.782) 0.917 42.895 ( 7.199 -2.890 -1.499) 7.900 43.120 ( -1.223 -2.859 8.344) 8.905 44.021 ( 19.454 -6.268 -9.718) 22.631 45.196 ( -15.915 6.597 12.590) 21.338 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.000 31.273 28.862) 42.556 2.409 ( 0.000 -7.005 -23.732) 24.744 3.014 ( -0.000 7.476 18.332) 19.798 3.742 ( 0.000 -1.369 -9.149) 9.251 3.750 ( -0.000 -3.213 11.959) 12.383 4.037 ( 0.000 -9.347 -3.642) 10.031 4.491 ( -0.000 -20.238 4.455) 20.723 5.171 ( -0.000 -1.478 1.069) 1.824 5.762 ( -0.000 4.008 0.347) 4.023 6.723 ( -0.000 6.478 6.620) 9.262 6.890 ( 0.000 9.300 -5.184) 10.647 7.433 ( 0.000 -34.486 -24.666) 42.399 7.746 ( 0.000 0.018 -0.264) 0.265 8.606 ( 0.000 -6.559 -2.394) 6.982 8.978 ( -0.000 -1.786 2.594) 3.149 9.069 ( 0.000 0.793 -0.016) 0.793 9.197 ( -0.000 6.382 4.045) 7.556 9.888 ( 0.000 24.647 -4.442) 25.044 20.253 ( -0.000 1.406 0.484) 1.487 20.289 ( 0.000 1.323 -0.345) 1.368 20.483 ( -0.000 0.830 1.367) 1.600 20.549 ( 0.000 -1.010 -0.505) 1.130 24.751 ( 0.000 -0.268 -0.257) 0.371 24.779 ( -0.000 0.618 0.022) 0.618 32.233 ( 0.000 -1.150 -0.378) 1.210 32.282 ( -0.000 0.617 0.845) 1.046 42.652 ( -0.000 -3.694 1.908) 4.157 43.132 ( -0.000 -4.503 11.366) 12.225 43.487 ( 0.000 -2.548 -4.458) 5.135 45.616 ( -0.000 4.273 5.801) 7.205 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -2.097 -6.315 -25.306) 26.166 2.631 ( -7.936 19.213 13.161) 24.603 3.314 ( 6.703 -4.407 10.730) 13.397 3.710 ( 13.113 -5.151 6.356) 15.456 3.736 ( -9.290 2.569 4.257) 10.537 3.983 ( 8.342 -3.741 1.315) 9.237 4.334 ( 4.405 -19.343 2.693) 20.020 5.237 ( 2.561 4.680 3.916) 6.618 5.770 ( -2.287 0.832 2.440) 3.446 6.741 ( -9.015 -4.021 0.695) 9.895 6.917 ( 0.426 15.350 -5.738) 16.392 7.004 ( 4.324 -38.725 -12.015) 40.776 7.863 ( 7.432 8.962 -6.543) 13.355 8.559 ( 1.884 -2.758 0.427) 3.367 8.948 ( -1.343 -3.327 -1.212) 3.787 9.094 ( 2.651 -0.696 0.623) 2.811 9.241 ( -4.140 7.897 2.958) 9.394 9.977 ( -14.744 22.325 -5.990) 27.417 20.244 ( -1.589 1.823 0.514) 2.472 20.337 ( 2.104 1.734 -0.788) 2.838 20.490 ( -0.557 0.812 1.831) 2.079 20.527 ( -1.152 -0.787 -0.243) 1.416 24.748 ( 0.121 -0.265 -0.445) 0.532 24.785 ( -0.092 0.764 -0.016) 0.769 32.214 ( -0.418 -1.165 -0.340) 1.283 32.302 ( 1.067 0.185 1.035) 1.498 42.660 ( 5.026 -5.368 2.134) 7.657 43.142 ( -0.229 -4.626 11.078) 12.008 43.510 ( 8.952 -4.109 -5.398) 11.232 45.622 ( -7.702 3.513 9.249) 12.538 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -1.537 -9.073 -25.275) 26.898 2.619 ( -3.447 -2.632 -3.308) 5.454 3.254 ( 1.044 -5.996 -1.418) 6.249 3.584 ( -13.151 7.625 8.037) 17.195 3.926 ( 9.326 -16.050 13.199) 22.777 4.285 ( 14.317 -3.352 -2.312) 14.885 4.442 ( 25.243 2.003 10.075) 27.253 5.297 ( -1.722 -0.828 0.411) 1.954 5.769 ( -0.988 2.812 8.338) 8.855 6.474 ( 0.858 -24.731 -12.634) 27.784 6.676 ( -14.953 0.063 -2.724) 15.199 7.132 ( 9.122 4.614 3.590) 10.835 7.989 ( 5.638 1.549 -10.785) 12.268 8.651 ( 4.678 5.689 4.217) 8.487 8.851 ( -5.760 -0.889 -5.094) 7.741 9.143 ( 3.686 -2.396 1.610) 4.682 9.272 ( -3.558 10.762 3.940) 12.000 9.774 ( -24.443 13.410 -6.947) 28.732 20.253 ( -0.234 2.453 0.625) 2.542 20.350 ( -1.207 0.892 -1.751) 2.307 20.498 ( -1.735 -0.167 0.600) 1.844 20.516 ( 1.226 1.290 1.842) 2.561 24.746 ( 0.266 -0.293 -0.560) 0.685 24.790 ( -0.245 0.747 -0.060) 0.788 32.198 ( 0.086 -1.162 -0.205) 1.184 32.323 ( 0.595 -0.263 1.102) 1.280 42.727 ( 7.852 -5.295 0.401) 9.479 43.143 ( -0.539 -5.127 10.648) 11.830 43.632 ( 14.530 -5.268 -8.493) 17.636 45.545 ( -11.743 4.119 13.445) 18.320 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 -5.509 -25.585) 26.171 2.915 ( -0.000 -2.463 0.161) 2.468 3.277 ( -0.000 -5.563 25.117) 25.726 3.524 ( 0.000 -8.048 -10.364) 13.122 3.787 ( -0.000 -3.680 5.498) 6.616 3.989 ( -0.000 14.234 5.554) 15.279 4.075 ( -0.000 -23.569 5.682) 24.245 5.324 ( -0.000 7.693 6.508) 10.077 5.819 ( -0.000 1.944 6.998) 7.263 6.374 ( 0.000 -46.020 -23.530) 51.687 6.877 ( -0.000 -0.572 12.841) 12.854 7.045 ( 0.000 14.541 -10.168) 17.743 7.892 ( 0.000 13.282 -4.635) 14.067 8.495 ( -0.000 -4.101 1.488) 4.362 8.924 ( 0.000 -2.538 -1.588) 2.994 9.064 ( -0.000 -2.364 1.797) 2.970 9.342 ( 0.000 6.403 -0.521) 6.424 10.321 ( 0.000 25.726 -8.487) 27.090 20.292 ( -0.000 1.910 0.745) 2.050 20.324 ( 0.000 2.654 -0.198) 2.661 20.512 ( -0.000 0.378 1.806) 1.845 20.524 ( 0.000 -0.746 -0.669) 1.002 24.741 ( 0.000 -0.272 -0.733) 0.782 24.794 ( 0.000 0.895 -0.093) 0.900 32.206 ( 0.000 -0.944 -0.548) 1.092 32.299 ( -0.000 -0.094 1.354) 1.357 42.561 ( -0.000 -8.267 3.363) 8.925 43.151 ( -0.000 -5.291 11.381) 12.551 43.371 ( 0.000 -4.249 -5.153) 6.679 45.764 ( -0.000 2.137 11.750) 11.943 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -5.102 -9.021 -24.812) 26.890 2.613 ( -9.849 -20.905 -8.957) 24.784 3.239 ( -4.781 -4.670 2.594) 7.169 3.499 ( 7.697 -20.404 11.522) 24.664 3.855 ( 16.505 -21.129 -0.604) 26.818 4.100 ( 2.886 7.485 3.886) 8.914 4.194 ( 7.068 19.169 11.594) 23.491 5.352 ( -4.084 -2.188 -0.227) 4.639 5.789 ( -0.999 -24.073 -6.003) 24.830 6.027 ( 9.198 -10.109 2.606) 13.914 6.905 ( -4.534 0.588 10.458) 11.414 7.135 ( 0.628 16.208 -9.756) 18.929 7.962 ( -2.573 7.231 -5.824) 9.635 8.580 ( 9.727 1.456 5.073) 11.067 8.883 ( -1.797 -0.385 -3.028) 3.542 9.064 ( 2.542 -3.776 1.872) 4.922 9.382 ( -0.876 5.546 -1.277) 5.758 10.333 ( -21.022 22.873 -9.882) 32.600 20.293 ( -1.340 2.344 0.823) 2.823 20.367 ( 0.281 2.244 -0.882) 2.427 20.509 ( -0.011 0.308 0.038) 0.311 20.527 ( -0.006 -0.084 1.759) 1.761 24.735 ( 0.160 -0.308 -0.950) 1.011 24.801 ( -0.170 0.871 -0.158) 0.901 32.192 ( -0.383 -0.527 -0.380) 0.754 32.311 ( 0.830 -0.613 1.291) 1.653 42.546 ( 6.079 -8.742 2.604) 10.962 43.150 ( -0.413 -6.021 11.084) 12.621 43.365 ( 7.315 -4.449 -6.559) 10.786 45.793 ( -6.081 1.930 14.949) 16.254 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 -9.162 -21.868) 23.710 2.369 ( 0.000 -33.100 -17.392) 37.392 3.237 ( -0.000 -25.645 24.055) 35.162 3.314 ( 0.000 -4.706 -9.811) 10.881 3.440 ( -0.000 -25.849 2.060) 25.931 4.009 ( -0.000 0.793 3.513) 3.601 4.521 ( -0.000 25.836 4.880) 26.293 5.306 ( 0.000 -39.329 -16.527) 42.660 5.342 ( 0.000 -7.987 -0.732) 8.020 6.119 ( -0.000 9.943 22.871) 24.939 6.965 ( -0.000 -2.046 9.538) 9.755 7.268 ( 0.000 21.739 -12.637) 25.145 8.102 ( 0.000 10.644 -0.800) 10.674 8.484 ( -0.000 -0.869 5.470) 5.539 8.884 ( 0.000 0.193 -1.180) 1.196 9.010 ( -0.000 -5.115 1.830) 5.433 9.418 ( 0.000 4.110 -5.011) 6.481 10.695 ( 0.000 24.291 -13.174) 27.633 20.335 ( -0.000 1.800 0.635) 1.909 20.384 ( -0.000 3.398 0.183) 3.403 20.514 ( 0.000 0.229 -0.387) 0.450 20.528 ( -0.000 -0.586 1.617) 1.720 24.725 ( 0.000 -0.308 -1.331) 1.366 24.810 ( 0.000 0.866 -0.226) 0.895 32.192 ( 0.000 0.094 -0.439) 0.449 32.302 ( -0.000 -0.995 1.227) 1.580 42.411 ( -0.000 -10.734 3.948) 11.437 43.151 ( -0.000 -5.800 9.992) 11.554 43.232 ( 0.000 -4.543 -5.237) 6.933 45.935 ( -0.000 0.867 17.202) 17.224 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 0.000 34.264) 34.264 1.046 ( -0.000 0.000 34.264) 34.264 1.649 ( -0.000 0.000 54.226) 54.226 3.264 ( -0.000 0.000 8.241) 8.241 3.264 ( -0.000 0.000 8.241) 8.241 4.117 ( -0.000 0.000 11.178) 11.178 4.686 ( 0.000 -0.000 -2.099) 2.099 4.686 ( 0.000 -0.000 -2.099) 2.099 5.178 ( 0.000 -0.000 -6.686) 6.686 6.427 ( 0.000 -0.000 -10.200) 10.200 6.427 ( 0.000 -0.000 -10.200) 10.200 7.831 ( 0.000 -0.000 -35.248) 35.248 8.428 ( -0.000 0.000 2.035) 2.035 8.428 ( -0.000 0.000 2.035) 2.035 8.661 ( -0.000 0.000 0.121) 0.121 8.661 ( 0.000 0.000 0.121) 0.121 9.950 ( -0.000 0.000 24.490) 24.490 11.974 ( 0.000 -0.000 -6.761) 6.761 20.466 ( -0.000 0.000 0.101) 0.101 20.466 ( -0.000 0.000 0.101) 0.101 20.484 ( -0.000 0.000 -0.049) 0.049 20.484 ( 0.000 -0.000 -0.049) 0.049 24.858 ( -0.000 0.000 1.481) 1.481 25.132 ( 0.000 -0.000 -1.250) 1.250 32.231 ( -0.000 0.000 0.154) 0.154 32.248 ( 0.000 -0.000 -0.132) 0.132 42.093 ( -0.000 0.000 4.221) 4.221 42.093 ( -0.000 0.000 4.221) 4.221 42.953 ( 0.000 -0.000 -4.490) 4.490 42.953 ( 0.000 -0.000 -4.490) 4.490 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.455 0.840 27.627) 27.679 1.363 ( 2.736 1.580 35.866) 36.005 2.442 ( 34.750 20.063 37.478) 54.906 3.197 ( -3.097 -1.788 4.274) 5.572 3.332 ( -1.062 -0.613 13.968) 14.022 4.116 ( 3.935 2.272 11.675) 12.528 4.689 ( 0.755 0.436 -2.013) 2.194 4.810 ( 6.162 3.558 4.235) 8.280 5.096 ( -3.201 -1.848 -7.363) 8.239 6.378 ( -3.820 -2.205 -14.824) 15.466 6.447 ( 8.507 4.912 -19.091) 21.470 7.717 ( 5.107 2.948 -27.196) 27.828 8.389 ( -4.167 -2.406 2.225) 5.301 8.411 ( -1.278 -0.738 2.007) 2.491 8.714 ( 5.134 2.964 -0.415) 5.943 8.833 ( 10.797 6.234 -2.288) 12.675 9.985 ( -7.415 -4.281 22.155) 23.752 11.540 ( -31.465 -18.166 1.545) 36.366 20.435 ( -1.611 -0.930 0.559) 1.943 20.455 ( 0.030 0.017 -0.709) 0.710 20.487 ( -0.200 -0.115 -0.532) 0.579 20.508 ( 0.575 0.332 -0.316) 0.735 24.859 ( -0.604 -0.349 1.496) 1.651 24.967 ( -9.250 -5.340 4.540) 11.605 32.221 ( -0.927 -0.535 0.111) 1.077 32.237 ( -0.171 -0.099 -0.485) 0.524 42.255 ( 8.504 4.910 6.691) 11.882 42.852 ( -2.253 -1.301 -7.398) 7.842 43.086 ( 9.594 5.539 -1.542) 11.186 43.271 ( 73.599 42.493 -48.311) 97.757 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 17.380 10.034 13.992) 24.465 1.677 ( 11.702 6.756 25.523) 28.879 2.938 ( -2.202 -1.271 15.138) 15.350 3.220 ( 4.607 2.660 3.809) 6.543 3.706 ( 26.038 15.033 18.482) 35.292 4.495 ( 24.139 13.937 8.891) 29.258 4.524 ( -14.989 -8.654 -8.478) 19.273 4.948 ( 2.216 1.280 13.151) 13.397 5.064 ( 3.407 1.967 -4.392) 5.897 6.160 ( -6.009 -3.469 -21.909) 22.982 6.544 ( 9.042 5.220 -20.169) 22.711 7.774 ( 6.361 3.672 -8.473) 11.213 8.303 ( -3.448 -1.991 0.647) 4.034 8.378 ( -3.081 -1.779 2.661) 4.443 8.854 ( 7.081 4.088 -0.136) 8.178 9.034 ( 7.427 4.288 -1.154) 8.653 9.851 ( -12.768 -7.372 16.815) 22.363 10.758 ( -37.732 -21.785 1.570) 43.598 20.408 ( -1.127 -0.651 1.022) 1.655 20.431 ( -2.252 -1.300 -0.625) 2.675 20.493 ( 1.509 0.871 -1.233) 2.134 20.500 ( -1.074 -0.620 -0.856) 1.507 24.841 ( -4.311 -2.489 3.763) 6.240 24.847 ( -1.069 -0.617 1.124) 1.669 32.195 ( -1.259 -0.727 -0.008) 1.454 32.243 ( 0.923 0.533 -1.243) 1.637 42.513 ( 10.800 6.236 7.922) 14.774 42.781 ( -0.277 -0.160 -8.870) 8.875 43.368 ( 15.281 8.822 3.597) 18.008 44.238 ( 37.232 21.496 -52.136) 67.576 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 20.834 12.028 2.837) 24.223 2.107 ( 16.359 9.445 18.761) 26.623 2.875 ( -4.079 -2.355 2.054) 5.139 3.484 ( 16.408 9.473 8.656) 20.830 4.020 ( -22.756 -13.138 -14.017) 29.781 4.318 ( 21.227 12.256 11.759) 27.186 4.953 ( 3.381 1.952 1.553) 4.201 5.112 ( 1.423 0.822 -4.868) 5.138 5.229 ( 23.193 13.391 20.597) 33.786 5.935 ( -4.159 -2.401 -22.457) 22.965 6.629 ( 5.468 3.157 -18.421) 19.473 7.823 ( -5.365 -3.097 14.970) 16.201 8.296 ( 5.912 3.413 -8.149) 10.630 8.296 ( -5.471 -3.159 5.049) 8.087 8.996 ( 4.828 2.788 -0.279) 5.582 9.134 ( 0.917 0.530 2.079) 2.333 9.620 ( -13.303 -7.680 11.180) 18.998 9.968 ( -30.469 -17.591 -2.625) 35.280 20.365 ( -3.177 -1.834 -0.506) 3.703 20.393 ( -0.922 -0.532 1.121) 1.546 20.459 ( -1.712 -0.989 -1.287) 2.359 20.526 ( 1.695 0.979 -1.137) 2.264 24.792 ( -1.764 -1.018 2.053) 2.892 24.825 ( -1.186 -0.685 0.589) 1.491 32.173 ( -0.554 -0.320 -0.028) 0.640 32.260 ( 1.146 0.662 -1.461) 1.971 42.753 ( 1.741 1.005 -9.151) 9.369 42.787 ( 9.828 5.674 8.193) 13.996 43.788 ( 19.128 11.043 9.332) 23.977 44.540 ( 13.448 7.764 -42.150) 44.919 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 18.642 10.763 -2.756) 21.702 2.518 ( 6.365 3.675 28.271) 29.210 2.878 ( 12.833 7.409 -21.996) 26.521 3.394 ( -22.437 -12.954 -10.249) 27.861 4.068 ( 27.634 15.955 4.598) 32.239 4.700 ( 3.418 1.974 9.132) 9.948 5.027 ( 8.438 4.872 5.619) 11.247 5.065 ( -2.754 -1.590 -3.818) 4.969 5.740 ( -4.525 -2.613 -19.697) 20.378 5.794 ( 18.890 10.906 6.755) 22.835 6.469 ( -14.838 -8.566 -14.881) 22.693 7.670 ( -16.558 -9.560 26.002) 32.275 8.269 ( 2.509 1.449 8.404) 8.890 8.478 ( 12.590 7.269 -8.225) 16.703 9.025 ( -1.600 -0.924 -3.887) 4.304 9.080 ( -7.299 -4.214 6.086) 10.396 9.408 ( -9.791 -5.653 8.439) 14.108 9.481 ( -10.737 -6.199 -7.329) 14.402 20.296 ( -2.630 -1.518 -0.397) 3.063 20.356 ( -2.671 -1.542 0.210) 3.092 20.440 ( 0.602 0.347 -0.715) 0.997 20.552 ( 0.944 0.545 -0.611) 1.250 24.774 ( -0.632 -0.365 0.952) 1.200 24.802 ( -1.020 -0.589 0.148) 1.187 32.175 ( 0.790 0.456 0.108) 0.919 32.274 ( 0.571 0.330 -1.175) 1.347 42.763 ( 2.873 1.659 -8.458) 9.085 43.017 ( 6.969 4.023 8.301) 11.561 44.286 ( 20.071 11.588 13.269) 26.705 44.494 ( 0.731 0.422 -34.737) 34.748 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -7.099 -4.099 1.094) 8.270 2.644 ( -0.423 -0.244 17.102) 17.109 3.063 ( 6.005 3.467 -16.655) 18.041 3.259 ( 26.691 15.410 -23.863) 38.978 4.559 ( 7.410 4.278 -13.165) 15.701 4.589 ( -12.814 -7.398 6.609) 16.206 5.168 ( 19.171 11.068 16.970) 27.893 5.358 ( 14.913 8.610 3.112) 17.499 5.515 ( -8.073 -4.661 -16.388) 18.853 5.782 ( -26.519 -15.311 -14.965) 34.083 6.230 ( 8.073 4.661 10.413) 13.975 7.385 ( -20.310 -11.726 26.936) 35.715 8.488 ( 11.519 6.650 6.140) 14.649 8.638 ( -1.399 -0.807 -4.977) 5.232 8.933 ( -7.097 -4.097 4.576) 9.386 8.991 ( 6.821 3.938 -5.728) 9.739 9.248 ( -8.690 -5.017 6.761) 12.100 9.328 ( -2.225 -1.285 -5.819) 6.361 20.251 ( -1.096 -0.633 -0.287) 1.298 20.298 ( -2.243 -1.295 0.075) 2.592 20.463 ( 1.599 0.923 -0.728) 1.985 20.560 ( -0.102 -0.059 0.026) 0.120 24.770 ( -0.083 -0.048 0.333) 0.346 24.782 ( -0.793 -0.458 -0.106) 0.921 32.207 ( 1.902 1.098 0.244) 2.210 32.271 ( -0.433 -0.250 -0.605) 0.784 42.787 ( 2.571 1.484 -7.232) 7.818 43.176 ( 3.625 2.093 8.429) 9.411 44.268 ( -6.042 -3.488 -29.612) 30.423 44.789 ( 18.620 10.750 14.358) 25.854 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -16.934 -9.777 3.745) 19.909 2.771 ( 7.216 4.166 5.658) 10.072 3.325 ( 18.682 10.786 -17.673) 27.887 3.674 ( 18.068 10.432 -24.199) 31.951 4.247 ( -19.242 -11.109 2.170) 22.324 4.393 ( -10.051 -5.803 -13.490) 17.795 5.188 ( -17.045 -9.841 2.458) 19.835 5.196 ( -13.973 -8.067 -14.044) 21.390 5.664 ( 11.481 6.628 -1.599) 13.353 5.930 ( 33.995 19.627 18.214) 43.273 6.455 ( 6.865 3.963 8.253) 11.444 7.051 ( -21.403 -12.357 25.456) 35.479 8.358 ( -16.618 -9.595 -9.683) 21.494 8.697 ( 1.709 0.987 -1.821) 2.685 8.872 ( 2.689 1.553 5.809) 6.587 9.088 ( -7.820 -4.515 4.918) 10.282 9.277 ( 16.350 9.440 1.200) 18.917 9.287 ( 0.357 0.206 -3.117) 3.144 20.245 ( 0.650 0.375 -0.350) 0.828 20.266 ( -0.628 -0.363 0.353) 0.807 20.497 ( 1.730 0.999 -1.034) 2.250 20.548 ( -1.008 -0.582 0.605) 1.312 24.765 ( -0.677 -0.391 -0.202) 0.807 24.772 ( 0.250 0.144 0.029) 0.290 32.250 ( -1.260 -0.727 0.006) 1.454 32.255 ( 2.139 1.235 0.195) 2.477 42.794 ( 0.693 0.400 -5.884) 5.938 43.264 ( 0.659 0.381 8.418) 8.453 43.957 ( -9.159 -5.288 -25.228) 27.355 45.241 ( 15.851 9.152 12.593) 22.217 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -11.521 -6.651 8.856) 15.981 2.975 ( 6.269 3.620 1.102) 7.323 3.614 ( 14.703 8.489 -20.190) 26.380 3.661 ( -9.285 -5.361 -16.025) 19.281 3.926 ( -6.075 -3.507 5.138) 8.695 4.076 ( -12.563 -7.254 -8.138) 16.634 4.745 ( -20.993 -12.120 -11.391) 26.784 5.146 ( 8.875 5.124 3.033) 10.688 5.863 ( 8.943 5.164 -7.815) 12.951 6.629 ( 5.394 3.114 10.538) 12.240 6.635 ( -15.192 -8.771 16.841) 24.318 6.720 ( 14.516 8.381 15.911) 23.111 7.933 ( -13.184 -7.612 -10.708) 18.612 8.625 ( -3.755 -2.168 -3.097) 5.328 8.963 ( -5.105 -2.947 3.155) 6.686 9.010 ( 4.476 2.584 2.930) 5.941 9.302 ( 1.764 1.019 -1.810) 2.725 9.682 ( 18.062 10.428 7.690) 22.229 20.271 ( 1.681 0.970 -0.693) 2.061 20.275 ( 1.189 0.686 0.499) 1.461 20.526 ( 1.278 0.738 -1.319) 1.979 20.526 ( -1.214 -0.701 1.022) 1.735 24.749 ( -0.687 -0.397 -0.146) 0.806 24.781 ( 0.494 0.285 -0.066) 0.574 32.220 ( -1.397 -0.806 0.447) 1.674 32.297 ( 1.440 0.832 -0.114) 1.667 42.748 ( -2.674 -1.544 -4.823) 5.727 43.294 ( -1.561 -0.901 8.059) 8.258 43.631 ( -9.506 -5.488 -20.537) 23.286 45.609 ( 12.460 7.194 7.969) 16.447 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -6.649 -3.839 15.506) 17.303 2.858 ( -18.667 -10.778 7.889) 22.954 3.414 ( -8.264 -4.771 3.327) 10.105 3.630 ( -7.543 -4.355 -19.874) 21.698 3.887 ( -0.082 -0.047 -8.592) 8.592 4.064 ( 17.504 10.106 -3.339) 20.485 4.171 ( -23.708 -13.688 -7.707) 28.439 5.363 ( 5.425 3.132 0.981) 6.341 6.010 ( 10.370 5.987 -18.642) 22.156 6.044 ( -37.098 -21.418 19.970) 47.263 6.855 ( 10.740 6.201 14.894) 19.382 7.025 ( 2.600 1.501 -6.375) 7.047 7.864 ( 9.252 5.342 -0.945) 10.726 8.539 ( -2.286 -1.320 -3.910) 4.718 8.895 ( -2.119 -1.223 1.958) 3.134 9.067 ( -0.292 -0.169 1.017) 1.071 9.342 ( 2.453 1.416 -0.275) 2.846 10.161 ( 20.483 11.826 12.583) 26.790 20.305 ( 1.646 0.950 -0.957) 2.128 20.320 ( 2.534 1.463 0.358) 2.948 20.511 ( -0.466 -0.269 1.016) 1.150 20.538 ( 0.392 0.226 -1.577) 1.641 24.734 ( -0.675 -0.390 0.209) 0.807 24.793 ( 0.666 0.385 -0.001) 0.770 32.197 ( -0.807 -0.466 0.583) 1.099 32.314 ( 0.231 0.133 -0.640) 0.694 42.619 ( -6.911 -3.990 -4.462) 9.143 43.279 ( -3.032 -1.751 7.085) 7.902 43.350 ( -7.511 -4.336 -15.060) 17.378 45.862 ( 8.272 4.776 -0.591) 9.570 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.000 10.960 24.138) 26.509 1.824 ( -0.000 25.741 31.513) 40.690 2.436 ( -0.000 18.925 43.368) 47.318 3.165 ( -0.000 -7.665 3.281) 8.338 3.483 ( -0.000 6.523 10.705) 12.536 4.098 ( -0.000 -8.227 7.987) 11.466 4.794 ( -0.000 11.027 12.510) 16.676 4.798 ( 0.000 10.431 -2.144) 10.649 5.033 ( 0.000 -7.634 -9.106) 11.882 6.073 ( 0.000 -15.856 -18.245) 24.172 6.501 ( 0.000 8.892 -15.697) 18.041 7.539 ( 0.000 5.021 -30.536) 30.947 8.409 ( -0.000 -3.308 4.034) 5.217 8.422 ( -0.000 -1.660 3.469) 3.845 8.717 ( 0.000 4.022 -1.235) 4.207 8.792 ( 0.000 9.475 -1.614) 9.611 10.095 ( -0.000 -9.517 21.801) 23.788 11.653 ( 0.000 -19.112 -3.772) 19.481 20.429 ( -0.000 -2.769 0.323) 2.788 20.436 ( 0.000 -1.685 -0.105) 1.688 20.496 ( 0.000 0.867 -0.500) 1.001 20.508 ( 0.000 0.458 -0.200) 0.499 24.867 ( -0.000 -0.818 1.663) 1.853 24.985 ( -0.000 -9.766 3.146) 10.261 32.223 ( -0.000 -0.811 0.151) 0.825 32.234 ( 0.000 -0.544 -0.405) 0.678 42.107 ( -0.000 1.354 3.113) 3.395 42.852 ( 0.000 0.149 -6.600) 6.602 43.027 ( 0.000 7.607 -3.444) 8.351 43.242 ( 0.000 82.270 -31.874) 88.229 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 4.103 26.925 14.891) 31.041 1.962 ( -16.696 20.182 32.977) 42.113 2.985 ( 7.747 -1.531 21.373) 22.785 3.196 ( 5.602 4.818 5.187) 9.028 3.595 ( 9.109 9.739 14.586) 19.763 4.189 ( 16.302 -3.455 2.209) 16.810 4.697 ( -13.122 -6.525 -6.323) 15.961 4.967 ( 3.597 5.855 -1.782) 7.099 5.117 ( 4.430 16.515 15.493) 23.073 5.920 ( 9.148 -14.090 -20.353) 26.391 6.436 ( -3.226 5.363 -20.372) 21.312 7.563 ( 11.284 4.890 -20.889) 24.240 8.334 ( -4.411 -4.550 6.199) 8.865 8.462 ( -0.599 1.549 4.025) 4.355 8.787 ( 5.068 4.454 -1.855) 6.997 8.929 ( 6.960 4.402 -1.318) 8.340 10.015 ( -7.673 -13.468 18.062) 23.801 11.179 ( -29.926 -18.044 -2.075) 35.007 20.400 ( -0.184 -2.971 0.758) 3.072 20.434 ( 0.945 -1.052 -0.599) 1.536 20.484 ( -1.092 0.075 -0.594) 1.245 20.508 ( -0.382 -0.051 -0.687) 0.788 24.859 ( -0.654 -1.184 1.376) 1.930 24.887 ( -3.156 -5.651 3.345) 7.285 32.207 ( -0.942 -0.814 0.102) 1.249 32.232 ( 0.385 0.326 -0.946) 1.073 42.311 ( 16.658 0.106 3.844) 17.096 42.786 ( -3.630 2.584 -7.561) 8.777 43.213 ( 12.950 8.231 -0.086) 15.345 43.933 ( 15.428 56.439 -40.009) 70.881 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -1.500 33.282 11.834) 35.355 2.153 ( 4.249 17.348 20.463) 27.161 2.996 ( -6.789 -5.741 13.375) 16.061 3.305 ( 10.873 2.587 0.716) 11.199 4.104 ( 16.277 4.701 6.555) 18.166 4.174 ( -12.133 -11.630 -4.987) 17.531 4.651 ( 26.768 -5.357 -0.100) 27.299 5.046 ( -1.038 5.239 -1.923) 5.676 5.389 ( -0.479 16.273 8.911) 18.559 5.905 ( 1.709 7.073 -8.361) 11.084 6.371 ( 7.959 -3.139 -20.916) 22.598 7.732 ( 12.714 -0.438 -7.649) 14.844 8.265 ( -2.671 -2.341 6.726) 7.606 8.455 ( -5.503 3.809 3.585) 7.592 8.929 ( 6.755 3.653 -1.546) 7.834 9.059 ( 6.495 -0.672 -0.904) 6.592 9.787 ( -11.675 -14.589 13.270) 22.918 10.410 ( -38.756 -15.153 -1.044) 41.627 20.371 ( -0.500 -3.161 0.470) 3.234 20.417 ( -1.707 -0.410 0.566) 1.844 20.467 ( -1.052 -1.099 -1.568) 2.185 20.500 ( 1.059 0.404 -1.086) 1.570 24.819 ( -2.049 -2.545 2.256) 3.971 24.838 ( -1.018 -1.245 0.801) 1.797 32.185 ( -1.001 -0.257 0.112) 1.040 32.244 ( 0.939 0.908 -1.390) 1.907 42.621 ( 16.617 0.083 4.815) 17.301 42.733 ( -1.431 4.004 -8.073) 9.124 43.589 ( 19.836 8.880 5.606) 22.444 44.344 ( 6.654 30.987 -37.330) 48.969 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 2.051 23.053 8.034) 24.499 2.574 ( 10.542 23.281 8.718) 27.003 2.862 ( -8.158 -2.457 5.699) 10.250 3.556 ( -13.850 -18.764 -14.802) 27.622 3.725 ( 20.204 5.995 8.848) 22.857 4.579 ( 20.566 5.757 1.962) 21.446 4.911 ( 6.213 -13.657 0.456) 15.010 5.068 ( 3.531 7.059 -0.641) 7.919 5.505 ( 5.446 2.256 -8.478) 10.326 5.948 ( -6.477 13.507 -8.396) 17.172 6.423 ( 4.323 -0.534 -3.040) 5.312 7.828 ( 2.514 -9.737 10.515) 14.549 8.318 ( 3.431 4.425 5.680) 7.976 8.408 ( -4.374 7.569 -1.597) 8.887 9.005 ( 0.485 -0.975 -4.230) 4.368 9.108 ( 1.976 -4.220 1.217) 4.816 9.519 ( -9.955 -12.485 8.005) 17.862 9.712 ( -27.212 -8.482 0.506) 28.507 20.320 ( -2.211 -2.216 -0.079) 3.131 20.389 ( -2.398 -0.888 0.694) 2.650 20.427 ( -0.146 -0.785 -1.179) 1.424 20.526 ( 1.875 -0.040 -1.040) 2.144 24.786 ( -0.981 -1.083 1.201) 1.891 24.813 ( -0.998 -1.027 0.253) 1.454 32.177 ( -0.121 0.724 0.276) 0.784 32.262 ( 0.849 0.883 -1.369) 1.837 42.723 ( 0.479 4.685 -7.606) 8.946 42.906 ( 13.351 0.035 5.271) 14.353 44.072 ( 22.695 7.984 9.593) 25.901 44.420 ( -2.915 16.330 -31.098) 35.245 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 3.999 9.693 -2.030) 10.680 2.763 ( -7.163 0.365 8.019) 10.759 2.913 ( -1.377 -1.956 1.630) 2.894 3.159 ( 3.297 16.527 -14.508) 22.237 4.262 ( 23.317 3.668 -0.563) 23.610 4.719 ( -8.482 -11.478 0.964) 14.305 4.973 ( 21.510 3.360 -1.690) 21.837 5.206 ( 6.703 0.540 0.694) 6.761 5.536 ( -1.267 6.088 -10.214) 11.958 5.805 ( -4.801 -12.949 -14.554) 20.063 6.429 ( -10.652 14.075 12.047) 21.371 7.718 ( -13.080 -10.888 20.670) 26.774 8.409 ( 5.170 3.622 5.524) 8.388 8.582 ( 8.814 8.724 -2.940) 12.745 8.874 ( -4.138 -7.802 -5.737) 10.531 9.060 ( -3.572 -4.023 2.545) 5.952 9.310 ( -6.153 -4.426 -4.248) 8.689 9.397 ( -8.485 -4.792 7.494) 12.293 20.267 ( -1.915 -1.107 -0.194) 2.221 20.330 ( -2.777 -1.164 0.012) 3.011 20.438 ( 1.590 0.172 -0.446) 1.660 20.545 ( 1.222 -0.792 -0.521) 1.547 24.773 ( -0.338 -0.396 0.505) 0.725 24.790 ( -0.796 -0.712 -0.078) 1.071 32.198 ( 0.999 1.599 0.428) 1.933 32.271 ( 0.123 0.427 -0.940) 1.039 42.750 ( 1.190 4.836 -6.599) 8.268 43.118 ( 9.212 -0.683 5.581) 10.793 44.259 ( -8.692 7.237 -26.282) 28.612 44.599 ( 21.708 7.017 11.516) 25.556 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -17.875 -10.508 5.728) 21.512 2.615 ( 7.729 -4.182 -15.215) 17.570 3.074 ( 9.452 10.988 3.955) 15.024 3.544 ( 13.509 26.064 -13.540) 32.329 4.369 ( -2.186 -5.096 -15.866) 16.807 4.413 ( -13.630 -11.649 0.719) 17.944 5.115 ( -4.367 -18.552 -10.615) 21.816 5.350 ( 3.391 -4.151 -5.283) 7.526 5.590 ( 4.488 10.788 -1.841) 11.829 5.716 ( 15.812 12.926 13.995) 24.758 6.520 ( -1.178 12.408 9.703) 15.795 7.440 ( -20.174 -8.979 23.764) 32.439 8.482 ( -13.543 -8.959 -7.770) 18.001 8.594 ( 9.477 -1.204 1.263) 9.636 8.892 ( 1.276 0.790 5.165) 5.378 9.038 ( 10.148 -3.173 -1.070) 10.686 9.168 ( -5.788 -2.327 -1.285) 6.369 9.332 ( -0.526 2.875 1.750) 3.407 20.236 ( -0.539 -0.694 -0.524) 1.023 20.290 ( -1.403 0.149 0.688) 1.570 20.469 ( 1.921 0.561 -0.913) 2.199 20.546 ( 0.348 -1.459 0.128) 1.506 24.771 ( 0.057 -0.051 0.117) 0.140 24.771 ( -0.636 -0.450 -0.193) 0.803 32.238 ( 1.323 1.496 0.147) 2.003 32.265 ( -0.556 0.273 -0.129) 0.632 42.779 ( 0.246 4.035 -5.226) 6.607 43.256 ( 5.226 -1.197 5.306) 7.543 44.000 ( -12.869 3.141 -22.187) 25.841 45.065 ( 20.122 4.423 10.725) 23.227 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -13.355 -8.911 10.715) 19.302 2.705 ( 16.140 -3.561 -18.417) 24.746 3.313 ( 6.880 4.175 1.212) 8.139 3.831 ( 4.169 6.660 -8.850) 11.835 4.039 ( -16.815 4.605 -10.586) 20.396 4.186 ( -7.050 -1.617 -10.484) 12.736 4.794 ( -7.892 -15.734 -6.732) 18.846 5.214 ( -8.007 4.019 0.208) 8.961 5.748 ( 6.170 4.107 -2.835) 7.936 6.328 ( 25.819 4.587 12.854) 29.205 6.695 ( 3.864 8.306 5.895) 10.894 7.153 ( -21.865 -0.485 25.264) 33.416 8.056 ( -17.439 -10.176 -10.790) 22.893 8.631 ( -0.421 -3.731 -1.252) 3.958 8.957 ( 3.462 -2.869 4.739) 6.533 9.035 ( -2.782 -1.278 3.157) 4.397 9.214 ( 7.914 -1.051 -4.538) 9.183 9.492 ( 13.149 5.427 4.363) 14.879 20.231 ( 1.151 -0.667 -0.671) 1.490 20.293 ( 0.048 1.671 0.912) 1.904 20.498 ( 1.524 0.311 -1.256) 1.999 20.534 ( -0.097 -1.386 0.504) 1.478 24.756 ( -0.631 -0.307 -0.140) 0.716 24.775 ( 0.375 0.156 -0.037) 0.408 32.235 ( -1.128 -0.756 0.020) 1.358 32.290 ( 1.059 1.834 0.146) 2.123 42.772 ( -2.354 2.437 -3.937) 5.194 43.325 ( 1.899 -1.361 3.573) 4.269 43.697 ( -13.837 1.389 -16.175) 21.331 45.447 ( 16.645 2.005 6.232) 17.886 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -7.757 -6.452 18.083) 20.707 2.808 ( 8.755 -11.277 -9.549) 17.176 3.353 ( -2.073 -6.883 2.548) 7.626 3.753 ( 0.905 -6.422 -1.482) 6.653 3.942 ( -7.477 16.044 -16.782) 24.392 4.040 ( -8.234 13.367 -7.528) 17.411 4.404 ( -19.870 -10.514 -6.577) 23.423 5.273 ( 6.624 4.784 -0.617) 8.194 5.840 ( 5.352 0.910 -7.485) 9.246 6.560 ( -25.118 -13.548 18.273) 33.888 6.726 ( 13.876 -2.714 14.135) 19.993 7.047 ( -6.086 9.138 -5.221) 12.157 7.811 ( 0.213 3.467 -0.391) 3.496 8.584 ( -1.960 2.046 -2.621) 3.859 8.911 ( -1.764 -4.954 3.355) 6.238 9.087 ( 0.436 3.026 1.215) 3.289 9.290 ( 5.036 0.529 -3.150) 5.964 9.862 ( 24.413 -1.893 8.950) 26.071 20.254 ( 2.470 -0.348 -0.816) 2.624 20.324 ( 0.901 1.924 0.850) 2.288 20.507 ( 0.334 -0.693 0.007) 0.769 20.530 ( 0.468 0.021 -1.029) 1.131 24.743 ( -0.640 -0.199 0.157) 0.688 24.786 ( 0.633 0.263 -0.023) 0.686 32.209 ( -1.034 -0.826 0.367) 1.373 32.315 ( 0.180 1.163 -0.557) 1.302 42.698 ( -6.447 0.804 -3.171) 7.229 43.311 ( -1.870 -3.077 -7.068) 7.932 43.446 ( -11.345 3.183 -1.131) 11.838 45.708 ( 12.070 -0.667 -1.712) 12.209 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 27.323 10.353) 29.219 2.631 ( -0.000 26.694 28.172) 38.810 2.944 ( -0.000 -6.112 19.665) 20.593 3.218 ( -0.000 14.532 10.311) 17.818 3.676 ( -0.000 1.906 7.513) 7.751 3.964 ( -0.000 -9.564 0.998) 9.616 4.616 ( 0.000 -22.486 -14.310) 26.653 5.005 ( 0.000 9.809 -4.996) 11.008 5.405 ( -0.000 29.648 26.415) 39.708 5.621 ( 0.000 -6.440 -16.888) 18.075 6.433 ( 0.000 3.175 -18.285) 18.559 7.388 ( 0.000 4.559 -21.771) 22.244 8.403 ( -0.000 -3.315 6.872) 7.630 8.465 ( -0.000 0.666 7.485) 7.514 8.767 ( 0.000 3.741 -3.902) 5.405 8.911 ( 0.000 3.625 -0.155) 3.629 10.010 ( -0.000 -18.033 15.360) 23.687 11.238 ( 0.000 -19.116 -6.535) 20.202 20.378 ( -0.000 -2.853 0.409) 2.882 20.402 ( 0.000 -1.714 -0.145) 1.720 20.499 ( 0.000 -0.815 -0.401) 0.909 20.502 ( 0.000 0.527 -0.660) 0.844 24.858 ( -0.000 -1.646 1.250) 2.067 24.870 ( -0.000 -5.503 2.732) 6.143 32.210 ( -0.000 -0.612 0.176) 0.637 32.225 ( 0.000 0.336 -1.114) 1.164 42.198 ( -0.000 5.231 1.857) 5.550 42.841 ( 0.000 4.370 -4.160) 6.033 43.156 ( 0.000 8.763 -2.597) 9.140 44.205 ( 0.000 52.758 -32.710) 62.076 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 11.238 28.885 5.212) 31.429 2.705 ( -23.416 23.167 29.096) 43.950 2.995 ( 2.631 -4.148 8.440) 9.765 3.351 ( -9.957 0.235 3.409) 10.527 3.865 ( 17.870 2.759 0.126) 18.082 4.114 ( 22.377 -5.824 7.957) 24.453 4.230 ( -7.992 -21.361 -10.135) 24.958 5.067 ( 2.400 4.114 -7.491) 8.877 5.525 ( -2.453 6.023 -7.555) 9.969 5.954 ( 12.976 26.557 18.894) 35.080 6.291 ( -9.489 5.142 -17.412) 20.485 7.442 ( 12.741 -0.032 -14.901) 19.605 8.349 ( -4.335 -2.413 8.684) 10.002 8.543 ( 0.607 0.847 7.096) 7.172 8.831 ( 5.840 3.440 -4.519) 8.146 8.965 ( 3.543 0.164 0.117) 3.549 9.837 ( -6.212 -19.349 11.333) 23.268 10.796 ( -24.867 -17.814 -6.318) 31.235 20.346 ( -0.318 -3.286 0.793) 3.395 20.408 ( 1.858 -1.214 -0.469) 2.268 20.473 ( -1.528 -0.692 -0.495) 1.749 20.498 ( -0.735 0.233 -0.897) 1.183 24.827 ( -1.075 -3.383 2.020) 4.084 24.841 ( -0.549 -1.758 0.796) 2.007 32.199 ( -0.768 -0.114 0.217) 0.806 32.231 ( 0.748 0.836 -1.411) 1.803 42.379 ( 13.024 4.073 1.392) 13.717 42.809 ( -5.339 5.902 -4.221) 9.009 43.384 ( 15.831 8.277 1.466) 17.924 44.492 ( -1.193 37.466 -29.003) 47.395 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -5.903 18.201 13.403) 23.361 2.743 ( -0.836 33.404 9.556) 34.754 3.023 ( -4.909 -5.137 17.069) 18.489 3.253 ( 8.407 -5.394 -10.070) 14.183 3.713 ( -6.684 -15.578 -8.183) 18.823 4.233 ( 17.773 -1.144 -6.022) 18.800 4.545 ( 20.597 -8.158 11.085) 24.772 5.101 ( 2.099 4.954 -4.401) 6.951 5.511 ( -2.743 6.547 -6.000) 9.295 6.017 ( -7.219 -3.271 -25.071) 26.293 6.535 ( 4.285 31.076 21.530) 38.048 7.589 ( 13.580 -8.228 -4.407) 16.479 8.350 ( 0.941 2.134 7.886) 8.224 8.558 ( -3.729 2.337 4.428) 6.243 8.930 ( 4.868 -0.286 -4.913) 6.922 9.013 ( 3.248 -2.696 -1.066) 4.354 9.580 ( -8.219 -17.201 9.068) 21.111 10.120 ( -31.452 -13.193 -3.695) 34.307 20.315 ( -0.247 -3.221 0.950) 3.368 20.419 ( 0.298 -0.050 -0.349) 0.462 20.427 ( -2.585 -1.215 -0.800) 2.966 20.489 ( 0.733 -0.177 -1.077) 1.315 24.795 ( -0.852 -1.725 1.243) 2.291 24.817 ( -0.750 -1.463 0.278) 1.668 32.192 ( -0.440 0.714 0.451) 0.953 32.249 ( 0.978 1.147 -1.562) 2.171 42.663 ( 15.641 1.634 1.161) 15.769 42.774 ( -3.156 6.838 -4.895) 8.982 43.802 ( 22.296 6.349 6.877) 24.181 44.581 ( -7.673 24.355 -24.589) 35.450 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -10.406 4.993 0.069) 11.542 2.956 ( -11.759 -13.322 -6.072) 18.778 3.023 ( -3.351 6.032 25.564) 26.479 3.214 ( 3.052 26.488 -8.172) 27.888 3.920 ( 25.541 8.560 3.303) 27.139 4.508 ( 24.928 -4.709 -13.665) 28.815 4.629 ( 2.703 -18.105 5.892) 19.230 5.201 ( -1.831 7.120 -2.729) 7.842 5.519 ( 4.804 -0.581 -2.787) 5.584 5.744 ( -7.877 1.662 -19.633) 21.219 6.851 ( -9.691 22.530 15.116) 28.809 7.671 ( 9.079 -14.942 6.641) 18.702 8.502 ( -0.857 5.035 8.887) 10.250 8.521 ( 2.569 4.414 -1.726) 5.391 8.872 ( -5.911 -5.295 -6.628) 10.340 9.000 ( 2.366 -6.318 -1.657) 6.947 9.376 ( -5.321 -9.086 7.396) 12.867 9.576 ( -18.785 -7.125 -0.509) 20.098 20.283 ( -1.079 -1.936 0.884) 2.386 20.360 ( -2.695 -1.638 -1.263) 3.397 20.425 ( 0.067 0.845 0.342) 0.914 20.503 ( 1.899 -1.101 -1.062) 2.438 24.777 ( -0.429 -0.775 0.623) 1.083 24.793 ( -0.664 -0.985 -0.061) 1.190 32.206 ( 0.436 1.581 0.691) 1.780 32.266 ( 0.590 0.959 -1.340) 1.750 42.781 ( -1.226 7.190 -4.314) 8.475 42.925 ( 13.739 -0.268 0.687) 13.759 44.275 ( 21.136 4.388 7.552) 22.869 44.489 ( -10.459 14.529 -17.943) 25.346 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -8.612 -2.151 -15.147) 17.556 2.544 ( -10.398 -14.574 5.242) 18.654 3.209 ( -1.346 15.113 17.630) 23.260 3.542 ( 7.794 21.151 -4.360) 22.959 4.240 ( 4.222 0.471 -14.745) 15.345 4.485 ( -2.836 -11.023 8.641) 14.290 4.880 ( 15.208 -4.023 -16.109) 22.516 5.053 ( 8.902 -7.020 -7.330) 13.500 5.667 ( 5.947 5.501 4.634) 9.333 5.684 ( 0.702 11.169 -3.179) 11.634 6.852 ( -15.501 14.906 9.345) 23.448 7.642 ( -1.969 -15.088 15.183) 21.495 8.461 ( -0.888 -3.692 -0.303) 3.809 8.549 ( -6.391 -7.154 -5.112) 10.870 8.837 ( 8.394 4.013 1.995) 9.516 8.951 ( -1.914 -4.723 2.771) 5.800 9.253 ( -7.183 0.024 -2.936) 7.760 9.360 ( -1.882 -4.277 3.682) 5.949 20.249 ( -1.821 -0.545 -0.135) 1.905 20.310 ( -0.978 -1.340 0.443) 1.717 20.443 ( 1.098 0.974 -0.535) 1.562 20.514 ( 1.383 -1.648 -0.465) 2.201 24.770 ( -0.076 -0.264 0.225) 0.355 24.776 ( -0.529 -0.549 -0.183) 0.784 32.239 ( 0.891 1.928 0.464) 2.174 32.272 ( -0.029 0.506 -0.623) 0.803 42.814 ( -0.866 6.707 -3.471) 7.601 43.119 ( 10.197 -1.339 0.028) 10.285 44.234 ( -17.185 10.398 -14.254) 24.630 44.769 ( 23.235 0.174 8.103) 24.608 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -8.969 -10.979 1.887) 14.301 2.457 ( 1.699 1.615 -8.352) 8.675 3.377 ( -2.365 9.682 8.423) 13.049 3.722 ( 2.486 -7.476 0.067) 7.879 4.128 ( 0.636 -2.676 -9.924) 10.298 4.396 ( -12.268 23.350 -15.759) 30.726 4.684 ( -1.041 -15.299 -7.453) 17.050 5.306 ( 4.801 2.894 -1.470) 5.795 5.733 ( -0.310 6.231 -3.191) 7.008 6.041 ( 21.406 5.370 12.253) 25.243 6.798 ( -6.744 6.868 3.741) 10.327 7.531 ( -8.481 -4.594 20.774) 22.904 8.173 ( -14.337 -11.503 -9.210) 20.559 8.537 ( 5.760 -4.648 0.268) 7.406 8.837 ( 1.758 -11.596 5.008) 12.753 9.060 ( 4.701 6.058 3.260) 8.332 9.129 ( -3.804 -0.551 -4.718) 6.085 9.405 ( 5.283 1.995 1.201) 5.773 20.220 ( -0.719 -0.160 -0.695) 1.013 20.305 ( 0.405 -0.173 1.445) 1.510 20.471 ( 1.523 0.964 -1.405) 2.285 20.513 ( 0.654 -1.847 0.166) 1.966 24.763 ( -0.497 -0.252 -0.138) 0.574 24.771 ( 0.223 0.011 0.019) 0.224 32.248 ( -1.052 0.210 -0.421) 1.152 32.291 ( 1.099 1.466 0.442) 1.885 42.834 ( -2.319 5.361 -2.351) 6.297 43.237 ( 6.170 -1.733 -2.454) 6.862 43.963 ( -18.431 8.223 -7.701) 21.602 45.157 ( 20.607 -2.715 4.240) 21.213 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -5.987 -6.398 16.257) 18.468 2.534 ( 8.854 3.600 -9.610) 13.554 3.388 ( -4.144 -1.827 3.453) 5.695 3.555 ( 0.807 -17.382 -1.234) 17.444 4.155 ( -0.935 7.432 -4.290) 8.632 4.344 ( -15.129 22.742 -20.971) 34.436 4.519 ( -5.432 0.284 -3.069) 6.245 5.307 ( -4.454 4.558 0.100) 6.374 5.755 ( 1.997 -0.108 -4.131) 4.590 6.438 ( 17.337 -5.123 10.236) 20.775 6.768 ( -3.291 -4.027 6.951) 8.681 7.371 ( -20.574 -2.402 2.890) 20.915 7.910 ( -5.113 5.929 3.582) 8.610 8.571 ( 3.400 -1.128 -1.129) 3.756 8.845 ( 6.296 -10.870 6.582) 14.182 9.097 ( 3.935 2.047 -2.307) 5.000 9.164 ( 2.579 1.247 -2.278) 3.660 9.550 ( 11.133 -3.138 3.435) 12.066 20.220 ( 1.065 0.361 -0.666) 1.307 20.325 ( 0.977 0.016 1.530) 1.816 20.496 ( 1.017 1.151 -1.373) 2.060 20.506 ( 0.679 -1.672 -0.247) 1.821 24.752 ( -0.524 -0.066 0.073) 0.533 24.778 ( 0.502 0.142 -0.032) 0.523 32.224 ( -1.461 -0.366 0.013) 1.506 32.319 ( 0.526 1.053 -0.266) 1.207 42.808 ( -5.139 3.972 -1.347) 6.634 43.253 ( 0.795 -2.473 -7.987) 8.399 43.737 ( -15.803 8.778 2.130) 18.202 45.431 ( 16.130 -5.363 -2.914) 17.246 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 18.063 -5.089) 18.766 3.007 ( -0.000 -0.240 19.322) 19.323 3.251 ( -0.000 -8.196 10.137) 13.036 3.567 ( 0.000 7.216 -4.525) 8.517 3.581 ( 0.000 3.601 -4.010) 5.390 3.869 ( -0.000 0.462 16.280) 16.287 4.124 ( 0.000 -10.214 -0.317) 10.219 5.008 ( 0.000 0.326 -8.986) 8.992 5.591 ( 0.000 9.724 -4.399) 10.673 6.091 ( 0.000 10.784 -8.878) 13.968 6.543 ( -0.000 29.743 15.150) 33.379 7.232 ( 0.000 -2.332 -15.428) 15.604 8.389 ( -0.000 -7.025 8.814) 11.271 8.580 ( -0.000 1.502 9.685) 9.801 8.795 ( 0.000 4.841 -5.727) 7.499 8.936 ( 0.000 -0.538 -0.195) 0.573 9.738 ( -0.000 -20.716 7.232) 21.942 10.775 ( 0.000 -20.709 -9.828) 22.923 20.327 ( -0.000 -2.816 0.249) 2.827 20.366 ( -0.000 -2.012 0.158) 2.018 20.475 ( 0.000 -0.927 -0.766) 1.203 20.511 ( 0.000 1.065 -0.362) 1.125 24.814 ( -0.000 -2.884 1.600) 3.298 24.831 ( -0.000 -1.928 0.537) 2.001 32.209 ( -0.000 0.371 0.331) 0.497 32.223 ( 0.000 0.785 -1.556) 1.743 42.332 ( -0.000 7.070 0.695) 7.104 42.931 ( -0.000 5.567 2.229) 5.996 43.301 ( 0.000 8.620 -2.464) 8.965 44.722 ( 0.000 32.096 -23.793) 39.953 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 21.046 11.307 -7.739) 25.114 2.935 ( -1.752 -28.889 -7.476) 29.892 3.117 ( -2.068 -1.483 23.611) 23.748 3.520 ( -1.288 -1.360 -12.948) 13.082 3.530 ( -16.934 19.977 10.518) 28.221 4.076 ( 1.222 0.584 0.226) 1.373 4.272 ( 16.287 2.705 17.160) 23.813 5.031 ( 6.292 2.495 -3.928) 7.826 5.624 ( -4.850 7.100 -3.674) 9.350 6.014 ( -6.381 3.852 -22.537) 23.738 6.956 ( -1.152 33.970 21.863) 40.414 7.255 ( 12.355 -4.916 -8.715) 15.898 8.359 ( 1.056 -7.027 8.971) 11.445 8.632 ( -0.832 1.415 6.487) 6.692 8.848 ( 2.874 3.667 -4.103) 6.208 8.942 ( 2.107 -1.917 -1.912) 3.431 9.538 ( -3.607 -18.739 4.652) 19.642 10.361 ( -18.099 -19.309 -9.218) 28.025 20.292 ( -0.488 -3.014 0.756) 3.145 20.376 ( 2.592 -1.573 -0.494) 3.072 20.450 ( -1.572 -0.887 -0.702) 1.937 20.507 ( -1.530 1.249 -0.281) 1.995 24.793 ( -0.385 -1.857 1.105) 2.195 24.812 ( -0.350 -1.664 0.188) 1.711 32.208 ( -0.508 0.723 0.282) 0.927 32.236 ( 0.988 1.190 -1.402) 2.088 42.484 ( 9.215 5.775 0.136) 10.876 42.918 ( -6.852 6.351 1.346) 9.439 43.543 ( 17.533 5.937 2.272) 18.650 44.837 ( -6.365 24.338 -19.453) 31.800 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 4.057 -29.683 -3.544) 30.168 2.934 ( -3.993 -0.143 -5.554) 6.842 3.224 ( 8.288 8.738 15.204) 19.396 3.541 ( 18.373 1.955 -1.957) 18.580 3.594 ( -8.650 25.246 7.744) 27.787 4.157 ( 5.923 5.421 -5.271) 9.605 4.441 ( 3.688 -14.206 10.411) 17.995 5.255 ( 10.780 10.278 4.326) 15.510 5.467 ( -11.648 -4.139 -12.683) 17.711 5.852 ( -6.712 11.121 -17.069) 21.450 7.279 ( 5.386 8.232 8.013) 12.688 7.378 ( -0.060 5.363 6.548) 8.464 8.413 ( 7.311 -4.762 5.760) 10.455 8.645 ( -3.289 2.671 4.839) 6.432 8.888 ( -2.862 -0.347 -5.257) 5.996 8.901 ( 2.043 -3.424 -3.786) 5.499 9.354 ( -1.494 -13.131 5.834) 14.446 9.816 ( -20.742 -13.252 -5.967) 25.327 20.268 ( 0.343 -2.811 1.244) 3.093 20.382 ( -1.664 -0.698 -2.613) 3.176 20.422 ( 1.191 -1.064 1.127) 1.955 20.488 ( -1.624 1.028 -0.450) 1.974 24.778 ( -0.317 -1.005 0.647) 1.237 24.792 ( -0.419 -1.130 -0.063) 1.207 32.216 ( 0.256 1.060 0.663) 1.277 32.258 ( 0.845 1.418 -1.408) 2.169 42.712 ( 12.221 3.144 -0.461) 12.627 42.889 ( -4.515 7.243 -0.148) 8.537 43.950 ( 23.030 1.698 6.420) 23.968 44.787 ( -13.294 17.783 -15.029) 26.811 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 3.904 -21.656 2.767) 22.179 2.650 ( -16.483 -2.418 -9.380) 19.118 3.457 ( 0.120 10.013 17.855) 20.471 3.699 ( -3.813 14.784 2.060) 15.406 4.110 ( 17.156 6.518 -5.780) 19.241 4.302 ( 12.809 0.913 -10.258) 16.435 4.409 ( 16.686 -11.007 16.744) 26.076 5.076 ( -17.085 0.887 -21.401) 27.399 5.575 ( 11.555 6.000 7.485) 15.018 5.826 ( -4.227 13.399 -9.622) 17.029 7.349 ( -19.917 15.539 7.767) 26.429 7.403 ( 12.542 -18.268 4.911) 22.696 8.447 ( 1.405 -10.331 0.727) 10.451 8.563 ( -8.975 -5.633 -4.516) 11.519 8.810 ( 1.478 3.584 5.748) 6.933 8.946 ( 2.187 2.614 -1.402) 3.685 9.294 ( 1.537 -5.833 3.479) 6.963 9.417 ( -12.737 -6.488 -3.646) 14.752 20.261 ( 0.570 -1.887 1.546) 2.505 20.317 ( -2.912 -0.844 -1.914) 3.585 20.447 ( 0.890 0.297 0.830) 1.253 20.476 ( 0.216 -0.065 -0.933) 0.960 24.770 ( -0.114 -0.459 0.300) 0.560 24.777 ( -0.356 -0.589 -0.152) 0.704 32.243 ( 1.050 1.229 0.852) 1.828 32.274 ( 0.154 1.177 -1.142) 1.647 42.901 ( -2.533 7.316 -0.335) 7.750 42.928 ( 11.306 1.001 -1.241) 11.418 44.376 ( 23.438 -1.914 6.511) 24.400 44.608 ( -17.357 12.909 -10.129) 23.885 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -10.673 -7.190 2.040) 13.029 2.425 ( 0.270 -3.303 -4.405) 5.513 3.596 ( -3.196 5.015 8.927) 10.727 3.679 ( -7.209 -3.917 0.775) 8.241 4.058 ( -2.119 -4.160 0.159) 4.671 4.396 ( 9.813 -9.633 -5.592) 14.844 4.813 ( -11.611 27.745 -18.674) 35.402 5.052 ( 28.955 5.343 3.679) 29.672 5.827 ( -3.626 8.498 -5.135) 10.571 5.850 ( 11.715 2.539 8.139) 14.489 7.111 ( -21.141 5.386 1.201) 21.849 7.455 ( 10.976 -17.573 9.713) 22.883 8.271 ( -12.160 -6.458 -3.352) 14.171 8.397 ( 3.369 -8.258 -1.031) 8.978 8.839 ( -5.381 -2.922 7.169) 9.428 9.031 ( 4.514 2.462 -2.727) 5.820 9.210 ( -6.497 0.354 0.028) 6.507 9.331 ( 4.890 -0.665 -0.394) 4.951 20.245 ( -2.276 0.312 -0.325) 2.320 20.283 ( 1.368 -1.930 0.662) 2.457 20.462 ( 0.170 1.282 -0.468) 1.375 20.483 ( 1.182 -0.938 -0.165) 1.518 24.767 ( -0.329 -0.196 -0.113) 0.399 24.768 ( 0.110 -0.145 0.081) 0.199 32.269 ( -0.774 1.084 -0.423) 1.398 32.282 ( 1.302 0.577 0.374) 1.473 42.927 ( -2.604 6.431 0.032) 6.938 43.088 ( 8.394 -0.289 -2.777) 8.847 44.359 ( -20.127 11.624 -3.710) 23.537 44.764 ( 22.938 -5.924 2.494) 23.822 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -4.545 0.581 8.880) 9.992 2.455 ( 5.488 2.237 -2.616) 6.478 3.436 ( -8.865 -11.993 0.721) 14.931 3.504 ( -7.190 -5.273 0.793) 8.952 4.146 ( 6.667 8.726 1.151) 11.042 4.407 ( 2.754 -6.211 -5.068) 8.476 4.854 ( -11.857 34.577 -15.819) 39.830 5.392 ( 3.734 5.188 1.314) 6.526 5.750 ( -5.487 -0.204 -5.654) 7.881 6.149 ( 16.616 -6.414 10.561) 20.707 6.853 ( -10.252 -1.570 1.987) 10.560 7.455 ( 1.154 -18.269 -0.073) 18.306 8.098 ( -4.283 8.536 5.556) 11.049 8.424 ( 7.550 -5.911 -0.524) 9.603 8.729 ( -4.286 -5.772 7.925) 10.700 9.024 ( 1.300 -3.804 -6.946) 8.025 9.211 ( -1.222 5.144 2.974) 6.066 9.414 ( 5.509 -0.991 -1.025) 5.691 20.220 ( -0.737 0.779 -0.415) 1.150 20.301 ( 1.864 -1.518 1.145) 2.663 20.476 ( 0.597 0.408 -1.078) 1.298 20.491 ( 0.668 0.078 -0.103) 0.680 24.760 ( -0.373 0.034 0.014) 0.375 24.771 ( 0.351 0.011 -0.017) 0.352 32.251 ( -1.760 0.422 -0.155) 1.816 32.310 ( 1.164 0.182 -0.019) 1.178 42.929 ( -4.165 5.173 0.694) 6.677 43.162 ( 3.641 -1.438 -5.795) 6.993 44.143 ( -18.547 12.070 3.483) 22.401 45.049 ( 19.383 -8.450 -3.829) 21.488 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 7.649 -9.861) 12.480 2.489 ( 0.000 -39.965 -12.011) 41.731 3.206 ( -0.000 -8.948 13.872) 16.507 3.511 ( -0.000 4.510 0.867) 4.593 3.832 ( 0.000 1.680 -4.851) 5.134 4.211 ( -0.000 8.049 16.183) 18.074 4.290 ( -0.000 17.383 17.116) 24.395 4.978 ( 0.000 5.053 -2.244) 5.529 5.724 ( 0.000 4.878 -2.111) 5.315 6.023 ( 0.000 7.065 -21.078) 22.231 6.993 ( 0.000 -7.677 -11.673) 13.971 7.460 ( -0.000 36.711 21.437) 42.511 8.288 ( -0.000 -12.664 9.414) 15.780 8.681 ( -0.000 2.607 2.359) 3.515 8.871 ( -0.000 5.905 0.290) 5.912 8.883 ( 0.000 -3.757 -3.334) 5.022 9.403 ( -0.000 -17.199 0.783) 17.217 10.252 ( 0.000 -22.082 -11.545) 24.918 20.277 ( -0.000 -2.340 0.064) 2.340 20.329 ( -0.000 -2.065 0.310) 2.089 20.454 ( 0.000 -0.403 -0.750) 0.851 20.535 ( -0.000 1.429 0.007) 1.429 24.785 ( -0.000 -1.503 0.861) 1.732 24.800 ( -0.000 -1.488 0.038) 1.489 32.225 ( 0.000 1.081 -1.518) 1.864 32.228 ( -0.000 1.004 0.492) 1.118 42.474 ( -0.000 6.953 0.251) 6.957 43.077 ( -0.000 2.951 9.404) 9.857 43.425 ( 0.000 6.802 -3.116) 7.482 45.028 ( 0.000 20.950 -15.430) 26.019 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 8.119 -32.550 -1.247) 33.571 2.713 ( 26.607 9.103 -4.523) 28.482 3.081 ( -2.135 -12.496 -4.368) 13.408 3.594 ( -2.219 6.129 15.034) 16.386 3.785 ( -0.543 1.095 -7.046) 7.152 4.310 ( -2.882 0.826 15.228) 15.520 4.456 ( -7.066 11.772 10.519) 17.296 5.161 ( 10.580 9.478 3.862) 14.720 5.625 ( -11.793 0.162 -8.036) 14.272 5.977 ( -3.702 13.145 -17.707) 22.361 6.963 ( 10.509 -9.432 -7.534) 16.005 7.819 ( -7.185 25.204 14.240) 29.827 8.269 ( 5.311 -7.456 9.814) 13.421 8.713 ( -0.635 2.535 -0.673) 2.698 8.814 ( 0.779 -5.682 -5.613) 8.025 8.928 ( -1.031 4.143 1.555) 4.543 9.250 ( 0.219 -13.193 0.728) 13.215 9.891 ( -10.753 -18.496 -9.749) 23.511 20.248 ( -0.540 -2.220 0.566) 2.353 20.340 ( 2.643 -1.456 -0.595) 3.076 20.434 ( -1.642 -0.114 -0.261) 1.667 20.533 ( -1.733 1.248 0.058) 2.137 24.775 ( -0.124 -0.999 0.578) 1.161 24.786 ( -0.163 -1.021 -0.074) 1.037 32.225 ( -0.130 0.864 -0.123) 0.883 32.252 ( 0.962 1.364 -0.615) 1.779 42.595 ( 6.472 5.375 0.123) 8.414 43.061 ( -7.138 4.002 6.464) 10.428 43.643 ( 17.343 2.010 1.881) 17.561 45.076 ( -8.154 17.105 -11.495) 22.163 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 11.700 -20.271 7.299) 24.517 2.790 ( -9.326 -7.300 -8.998) 14.874 3.418 ( 33.034 7.636 -3.090) 34.046 3.694 ( 5.860 3.606 7.125) 9.905 3.816 ( 3.059 4.743 1.105) 5.752 4.234 ( -0.987 -18.298 16.473) 24.641 4.493 ( -11.415 15.608 5.863) 20.206 5.265 ( -10.139 1.433 -10.901) 14.956 5.523 ( 5.384 10.788 2.452) 12.304 5.981 ( -4.155 16.071 -12.602) 20.841 7.030 ( 12.536 -13.890 -1.248) 18.752 7.832 ( -15.127 11.046 3.237) 19.008 8.316 ( -0.050 -9.802 5.641) 11.309 8.600 ( -4.564 -6.683 -6.266) 10.235 8.858 ( 3.178 5.501 3.954) 7.483 8.938 ( -0.880 2.205 -0.448) 2.416 9.192 ( 3.516 -6.951 1.066) 7.862 9.526 ( -10.741 -9.260 -5.729) 15.295 20.231 ( 0.598 -2.043 0.858) 2.295 20.348 ( -0.972 -0.350 -2.110) 2.349 20.419 ( 0.741 -0.080 1.201) 1.413 20.508 ( -2.210 0.919 -0.025) 2.394 24.768 ( -0.066 -0.577 0.319) 0.663 24.775 ( -0.180 -0.491 -0.101) 0.533 32.238 ( 0.740 0.510 0.466) 1.012 32.276 ( 0.641 1.483 -0.808) 1.806 42.770 ( 9.103 2.949 -0.233) 9.572 43.032 ( -4.594 5.309 4.013) 8.086 43.986 ( 21.833 -3.360 3.986) 22.446 44.981 ( -15.147 14.114 -7.147) 21.903 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 9.445 -9.414 8.863) 16.012 2.503 ( -12.001 -2.404 -10.643) 16.220 3.622 ( 1.540 -4.752 3.868) 6.318 3.745 ( -5.475 -6.836 -7.475) 11.514 4.030 ( 10.292 -2.705 7.174) 12.834 4.335 ( -13.219 3.407 0.028) 13.651 4.565 ( 35.474 5.646 13.834) 38.492 5.161 ( -7.111 20.901 -9.806) 24.157 5.732 ( 7.874 1.578 6.397) 10.267 5.993 ( -6.582 14.066 -9.905) 18.420 7.094 ( 12.370 -17.027 3.583) 21.349 7.559 ( -25.202 3.689 -4.276) 25.827 8.219 ( 4.015 -12.409 2.963) 13.375 8.420 ( -9.851 -1.947 -3.694) 10.700 8.925 ( 1.459 -4.279 -1.330) 4.712 8.958 ( -1.453 1.973 3.315) 4.123 9.228 ( 5.386 -1.165 -1.633) 5.748 9.328 ( -6.111 1.305 -0.164) 6.251 20.236 ( 1.576 -1.747 0.769) 2.475 20.299 ( -3.170 0.492 -1.284) 3.456 20.452 ( 1.778 0.170 0.820) 1.965 20.484 ( -1.326 0.698 -0.224) 1.515 24.765 ( 0.074 -0.296 0.123) 0.329 24.769 ( -0.185 -0.082 -0.066) 0.213 32.261 ( 1.411 -0.066 0.527) 1.508 32.290 ( -0.291 1.308 -0.573) 1.457 42.937 ( 8.686 0.894 -1.116) 8.803 43.041 ( -3.139 5.391 3.183) 7.003 44.323 ( 22.695 -7.317 1.527) 23.894 44.795 ( -19.017 12.652 -1.999) 22.929 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.207 -0.105 -12.159) 12.219 2.301 ( -0.695 0.993 12.159) 12.219 3.515 ( -4.215 -11.419 -2.984) 12.532 3.515 ( -7.781 -9.360 2.984) 12.532 4.225 ( 5.274 4.841 -12.413) 14.329 4.225 ( 1.556 6.988 12.413) 14.329 5.245 ( -4.730 23.585 -8.768) 25.603 5.245 ( 22.790 7.696 8.768) 25.603 5.889 ( -12.308 5.378 -9.068) 16.206 5.889 ( 10.811 -7.970 9.068) 16.206 7.127 ( -5.038 -11.746 -6.843) 14.498 7.127 ( -7.654 -10.236 6.843) 14.498 8.259 ( 1.663 0.423 -5.219) 5.494 8.259 ( -0.465 1.652 5.219) 5.494 8.882 ( 2.792 -7.985 -9.044) 12.383 8.882 ( -8.311 -1.575 9.044) 12.383 9.309 ( 5.424 -0.031 -2.913) 6.156 9.309 ( -2.739 4.682 2.913) 6.156 20.254 ( -1.987 0.803 -0.518) 2.205 20.254 ( 1.689 -1.320 0.518) 2.205 20.479 ( 0.137 0.675 -0.523) 0.865 20.479 ( 0.516 0.456 0.523) 0.865 24.766 ( 0.195 -0.105 -0.007) 0.221 24.766 ( -0.188 0.116 0.007) 0.221 32.285 ( -0.787 0.595 -0.146) 0.998 32.285 ( 0.909 -0.384 0.146) 0.998 43.050 ( 5.510 -0.675 -3.260) 6.438 43.050 ( -3.340 4.434 3.260) 6.438 44.601 ( 20.776 -9.833 -4.104) 23.349 44.601 ( -18.904 13.076 4.104) 23.349 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 -20.625 14.211) 25.047 2.542 ( -0.000 11.030 0.016) 11.030 2.932 ( 0.000 -14.977 -9.916) 17.962 3.729 ( 0.000 0.656 -12.599) 12.616 3.741 ( -0.000 2.215 19.304) 19.431 4.364 ( -0.000 -7.803 11.293) 13.727 4.717 ( -0.000 7.983 13.920) 16.047 5.203 ( -0.000 13.914 4.129) 14.514 5.682 ( 0.000 -6.035 -3.980) 7.229 6.058 ( 0.000 18.724 -18.990) 26.669 6.772 ( 0.000 -2.426 -9.718) 10.016 7.983 ( -0.000 -10.941 3.931) 11.626 8.396 ( -0.000 24.878 17.300) 30.302 8.677 ( 0.000 -13.191 -8.613) 15.754 8.741 ( 0.000 4.089 -3.792) 5.577 9.000 ( -0.000 3.610 5.218) 6.345 9.125 ( 0.000 -9.898 -1.486) 10.009 9.747 ( 0.000 -16.901 -10.298) 19.792 20.243 ( -0.000 -1.175 0.039) 1.175 20.296 ( -0.000 -1.511 0.079) 1.513 20.449 ( 0.000 0.434 -0.123) 0.451 20.559 ( -0.000 0.806 0.049) 0.807 24.769 ( -0.000 -0.826 0.441) 0.936 24.778 ( 0.000 -0.674 -0.070) 0.678 32.237 ( 0.000 1.430 -0.980) 1.734 32.249 ( -0.000 0.516 0.401) 0.654 42.597 ( -0.000 5.095 0.748) 5.150 43.213 ( -0.000 -1.510 14.638) 14.716 43.491 ( 0.000 3.770 -4.382) 5.781 45.253 ( 0.000 15.253 -8.389) 17.408 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 4.933 -4.921 23.099) 24.127 2.718 ( -1.553 -13.412 -13.808) 19.312 2.941 ( 28.682 12.746 5.672) 31.895 3.687 ( 0.550 2.440 -8.155) 8.530 3.858 ( 1.802 1.174 15.420) 15.569 4.235 ( -8.027 -13.801 8.810) 18.235 4.774 ( -5.594 0.755 10.059) 11.534 5.326 ( -0.936 1.211 0.709) 1.687 5.586 ( -0.783 4.433 -2.937) 5.375 6.158 ( -2.907 23.154 -15.026) 27.755 6.771 ( 5.507 -2.778 -5.437) 8.222 7.890 ( 3.307 -11.274 -2.595) 12.032 8.396 ( -9.018 -18.333 -3.564) 20.740 8.610 ( -5.321 10.049 1.544) 11.475 8.851 ( 5.670 7.945 3.641) 10.418 9.002 ( -2.776 -0.469 1.231) 3.073 9.095 ( 1.877 -1.360 1.721) 2.887 9.533 ( -4.367 -6.906 -7.900) 11.365 20.221 ( -0.858 -0.935 0.417) 1.336 20.313 ( 2.467 -0.542 -0.806) 2.651 20.443 ( -1.330 0.863 0.693) 1.730 20.549 ( -1.675 0.266 -0.062) 1.697 24.764 ( -0.005 -0.610 0.272) 0.668 24.773 ( -0.058 -0.239 -0.041) 0.250 32.239 ( -0.232 0.448 0.107) 0.516 32.270 ( 1.186 1.047 -0.400) 1.632 42.685 ( 4.803 3.152 0.994) 5.830 43.187 ( -6.046 0.634 9.646) 11.402 43.654 ( 15.396 -2.163 0.681) 15.562 45.285 ( -8.471 13.403 -5.056) 16.642 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 4.316 2.036 14.583) 15.344 2.511 ( -1.542 -8.075 -12.700) 15.128 3.464 ( 12.487 0.103 -3.597) 12.995 3.731 ( -2.934 -3.887 -0.036) 4.870 3.992 ( 2.707 6.031 7.199) 9.774 4.131 ( 20.650 -5.190 18.414) 28.150 4.616 ( -12.578 -4.732 2.967) 13.763 5.314 ( 0.529 4.664 -1.968) 5.090 5.684 ( 3.492 3.328 3.092) 5.730 6.225 ( -7.564 20.893 -12.404) 25.447 6.822 ( 6.902 -6.095 0.881) 9.250 7.807 ( -5.077 -6.004 -15.768) 17.619 8.063 ( -1.504 -18.138 5.453) 19.000 8.551 ( -7.431 2.279 -1.650) 7.945 8.888 ( -6.504 -1.852 -1.453) 6.917 9.021 ( 0.699 2.392 5.282) 5.840 9.130 ( 4.049 -0.085 -2.055) 4.541 9.431 ( -3.989 4.413 -2.206) 6.345 20.211 ( 0.234 -0.654 0.535) 0.876 20.329 ( -0.280 0.316 -1.739) 1.789 20.447 ( 0.151 1.327 1.795) 2.237 20.515 ( -2.020 -0.131 -0.156) 2.030 24.761 ( 0.082 -0.429 0.111) 0.451 24.771 ( -0.091 0.117 -0.006) 0.149 32.243 ( 0.617 -0.539 0.339) 0.887 32.297 ( 0.712 1.278 -0.340) 1.502 42.811 ( 7.092 0.892 0.704) 7.183 43.162 ( -3.746 2.383 6.753) 8.081 43.905 ( 19.064 -7.202 0.848) 20.397 45.194 ( -14.716 12.295 -1.079) 19.207 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -0.000 13.000 36.453) 38.701 2.508 ( 0.000 -13.853 -17.318) 22.177 2.861 ( -0.000 14.801 12.140) 19.143 3.666 ( 0.000 4.598 -11.014) 11.935 3.908 ( -0.000 -4.271 17.639) 18.148 4.224 ( -0.000 -12.141 2.836) 12.468 4.817 ( -0.000 -9.620 10.335) 14.119 5.291 ( 0.000 -9.617 -2.341) 9.897 5.631 ( 0.000 8.434 -0.500) 8.449 6.365 ( 0.000 26.718 -11.231) 28.982 6.722 ( 0.000 5.295 -7.668) 9.319 7.682 ( 0.000 -15.330 -10.302) 18.470 8.184 ( 0.000 -28.141 -3.584) 28.368 8.712 ( 0.000 -4.149 -2.710) 4.955 8.957 ( -0.000 11.387 9.556) 14.865 9.005 ( 0.000 2.038 -2.887) 3.534 9.143 ( -0.000 3.210 6.061) 6.859 9.510 ( 0.000 6.386 -8.836) 10.902 20.236 ( -0.000 0.370 0.237) 0.439 20.276 ( 0.000 -0.288 -0.289) 0.408 20.468 ( -0.000 1.150 0.800) 1.401 20.562 ( 0.000 -0.416 -0.289) 0.507 24.759 ( -0.000 -0.586 0.171) 0.610 24.773 ( -0.000 0.088 0.010) 0.088 32.250 ( -0.000 -0.662 0.008) 0.662 32.261 ( 0.000 1.625 -0.157) 1.632 42.676 ( -0.000 1.636 1.844) 2.465 43.304 ( -0.000 -5.411 17.182) 18.013 43.482 ( 0.000 0.497 -5.684) 5.706 45.460 ( 0.000 12.243 -3.040) 12.615 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -7.236 -1.799 -2.331) 7.812 2.385 ( 0.431 6.692 11.118) 12.984 3.277 ( 15.872 10.833 8.903) 21.178 3.716 ( 8.101 4.358 2.030) 9.420 3.923 ( -1.112 -11.610 9.306) 14.921 4.069 ( -2.164 -5.127 3.857) 6.771 4.690 ( -5.483 -14.487 6.474) 16.788 5.236 ( 4.844 -4.621 -1.997) 6.986 5.714 ( 0.160 6.022 1.640) 6.244 6.507 ( -7.353 22.794 -11.134) 26.412 6.752 ( 1.476 3.869 -1.269) 4.331 7.519 ( 8.407 -18.618 -23.357) 31.030 7.922 ( -0.305 -20.487 6.687) 21.553 8.628 ( -2.763 -3.727 -0.928) 4.732 9.014 ( -2.319 -0.163 -2.161) 3.174 9.044 ( 1.561 1.213 1.657) 2.579 9.145 ( -5.426 5.592 4.414) 8.955 9.566 ( -4.559 15.741 -5.372) 17.246 20.222 ( -1.341 0.589 0.510) 1.551 20.307 ( 2.153 0.820 -0.920) 2.481 20.477 ( -0.756 1.347 1.493) 2.149 20.541 ( -1.419 -0.742 -0.410) 1.652 24.755 ( 0.074 -0.537 0.044) 0.544 24.775 ( -0.043 0.365 0.037) 0.370 32.235 ( -0.344 -0.972 -0.004) 1.032 32.290 ( 1.222 1.279 0.056) 1.770 42.727 ( 4.017 -0.605 2.164) 4.603 43.273 ( -4.142 -2.084 10.397) 11.384 43.579 ( 12.364 -5.563 -0.289) 13.561 45.495 ( -7.884 11.325 -0.538) 13.810 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 -10.844 -19.414) 22.238 2.773 ( -0.000 18.880 25.441) 31.681 3.308 ( -0.000 12.906 20.637) 24.341 3.607 ( 0.000 -3.667 -6.748) 7.680 3.926 ( -0.000 -8.492 11.400) 14.215 3.989 ( 0.000 -10.111 -3.274) 10.628 4.593 ( -0.000 -22.549 8.824) 24.214 5.175 ( 0.000 5.207 -0.753) 5.261 5.783 ( -0.000 5.156 2.994) 5.962 6.754 ( 0.000 15.768 -2.417) 15.952 6.781 ( 0.000 8.494 -9.170) 12.500 7.058 ( 0.000 -28.967 -25.352) 38.495 7.797 ( -0.000 -10.202 6.844) 12.285 8.595 ( -0.000 -5.513 0.780) 5.568 8.992 ( 0.000 -5.019 -0.598) 5.054 9.049 ( 0.000 3.553 -2.204) 4.181 9.259 ( -0.000 3.482 3.810) 5.161 9.797 ( 0.000 24.069 -7.368) 25.172 20.261 ( -0.000 1.639 0.627) 1.755 20.282 ( 0.000 1.366 -0.463) 1.442 20.504 ( -0.000 1.224 1.498) 1.935 20.539 ( 0.000 -1.167 -0.777) 1.402 24.749 ( 0.000 -0.614 -0.059) 0.617 24.780 ( -0.000 0.578 0.044) 0.580 32.227 ( 0.000 -1.378 -0.420) 1.440 32.292 ( -0.000 1.269 0.524) 1.372 42.689 ( -0.000 -3.106 3.193) 4.455 43.348 ( -0.000 -7.689 17.203) 18.844 43.404 ( 0.000 -2.101 -6.600) 6.926 45.664 ( -0.000 10.435 0.211) 10.437 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.000 0.000 32.644) 32.644 1.545 ( -0.000 0.000 32.644) 32.644 2.437 ( -0.000 0.000 51.441) 51.441 3.359 ( -0.000 0.000 3.086) 3.086 3.359 ( -0.000 0.000 3.086) 3.086 4.322 ( -0.000 0.000 16.333) 16.333 4.689 ( -0.000 0.000 3.566) 3.566 4.689 ( -0.000 0.000 3.566) 3.566 5.052 ( 0.000 -0.000 -10.264) 10.264 6.241 ( 0.000 -0.000 -14.730) 14.730 6.241 ( 0.000 -0.000 -14.730) 14.730 7.277 ( 0.000 -0.000 -38.949) 38.949 8.464 ( -0.000 0.000 2.780) 2.780 8.464 ( -0.000 0.000 2.780) 2.780 8.660 ( 0.000 -0.000 -0.311) 0.311 8.660 ( 0.000 -0.000 -0.311) 0.311 10.308 ( -0.000 0.000 23.460) 23.460 11.850 ( 0.000 -0.000 -9.866) 9.866 20.468 ( -0.000 0.000 0.148) 0.148 20.468 ( -0.000 0.000 0.148) 0.148 20.483 ( 0.000 -0.000 -0.088) 0.088 20.483 ( 0.000 -0.000 -0.088) 0.088 24.885 ( -0.000 0.000 2.083) 2.083 25.109 ( 0.000 -0.000 -1.815) 1.815 32.233 ( -0.000 0.000 0.175) 0.175 32.246 ( 0.000 -0.000 -0.150) 0.150 42.169 ( -0.000 0.000 6.016) 6.016 42.169 ( -0.000 0.000 6.016) 6.016 42.872 ( 0.000 -0.000 -6.327) 6.327 42.872 ( 0.000 -0.000 -6.327) 6.327 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -4.931 -2.847 29.548) 30.091 1.897 ( 0.970 0.560 35.364) 35.382 3.005 ( 21.872 12.628 37.543) 45.247 3.211 ( -3.870 -2.235 -3.462) 5.653 3.522 ( 4.937 2.851 9.853) 11.384 4.247 ( -0.467 -0.270 7.111) 7.131 4.710 ( -3.413 -1.971 4.846) 6.247 4.943 ( 11.227 6.482 14.293) 19.297 4.968 ( -0.636 -0.367 -9.082) 9.111 6.104 ( -8.185 -4.726 -21.778) 23.741 6.157 ( 5.133 2.964 -19.925) 20.788 7.275 ( 14.782 8.535 -31.377) 35.719 8.450 ( -1.395 -0.806 3.102) 3.496 8.451 ( -3.077 -1.776 5.264) 6.351 8.705 ( 5.031 2.904 -0.779) 5.861 8.800 ( 9.718 5.611 -2.379) 11.471 10.310 ( -9.747 -5.628 21.405) 24.184 11.504 ( -25.747 -14.865 -5.808) 30.292 20.445 ( -1.253 -0.723 0.743) 1.626 20.450 ( -0.554 -0.320 -0.010) 0.640 20.479 ( -0.487 -0.281 -0.569) 0.800 20.502 ( 0.256 0.148 -0.557) 0.630 24.885 ( -0.917 -0.529 1.946) 2.215 25.005 ( -6.665 -3.848 1.075) 7.771 32.223 ( -0.996 -0.575 0.122) 1.156 32.232 ( -0.631 -0.365 -0.214) 0.760 42.364 ( 9.289 5.363 7.949) 13.350 42.727 ( 2.847 1.644 -9.940) 10.470 42.798 ( 40.441 23.349 -18.320) 50.163 43.050 ( 12.944 7.473 -3.220) 15.289 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 7.590 4.382 20.180) 22.001 2.083 ( 2.863 1.653 28.851) 29.040 3.216 ( 7.587 4.380 -5.203) 10.190 3.221 ( -10.663 -6.156 21.974) 25.188 3.931 ( 22.359 12.909 9.947) 27.668 4.426 ( -20.027 -11.563 -5.136) 23.689 4.552 ( 21.963 12.680 2.133) 25.450 5.012 ( 3.956 2.284 -1.831) 4.922 5.228 ( 6.538 3.775 22.048) 23.305 5.808 ( -5.953 -3.437 -24.614) 25.556 6.238 ( 10.662 6.156 -19.928) 23.425 7.524 ( 18.145 10.476 -22.365) 30.646 8.399 ( -4.802 -2.773 9.361) 10.880 8.427 ( -2.479 -1.431 3.840) 4.789 8.849 ( 7.418 4.283 -0.578) 8.585 8.997 ( 8.523 4.921 -3.671) 10.504 10.109 ( -16.205 -9.356 17.839) 25.853 10.761 ( -36.981 -21.351 -1.516) 42.729 20.423 ( -2.303 -1.330 -0.494) 2.705 20.424 ( -0.981 -0.566 1.188) 1.642 20.478 ( 1.237 0.714 -0.774) 1.625 20.485 ( -1.362 -0.787 -1.151) 1.949 24.865 ( -1.538 -0.888 1.288) 2.194 24.885 ( -4.612 -2.663 2.084) 5.719 32.196 ( -1.303 -0.752 0.067) 1.506 32.228 ( 0.451 0.260 -0.747) 0.911 42.636 ( 10.898 6.292 8.584) 15.233 42.648 ( -0.539 -0.311 -8.980) 9.001 43.414 ( 19.618 11.326 2.743) 22.818 43.590 ( 34.362 19.839 -35.171) 53.022 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 12.974 7.490 8.242) 17.098 2.323 ( 9.309 5.375 11.909) 16.043 3.052 ( -11.850 -6.842 19.817) 24.082 3.520 ( 20.481 11.825 -5.567) 24.295 3.876 ( -24.549 -14.174 -4.183) 28.654 4.434 ( 20.244 11.688 2.697) 23.531 4.947 ( 8.930 5.156 -0.064) 10.312 5.042 ( 0.141 0.081 -5.142) 5.145 5.521 ( 12.491 7.212 15.251) 20.992 5.617 ( -2.175 -1.256 -18.885) 19.051 6.389 ( 7.710 4.451 -10.922) 14.091 7.828 ( 16.337 9.432 -13.028) 22.926 8.326 ( -5.932 -3.425 10.700) 12.705 8.379 ( -3.448 -1.991 5.988) 7.191 8.980 ( 3.499 2.020 -1.890) 4.461 9.121 ( 4.023 2.322 -3.458) 5.791 9.816 ( -16.243 -9.378 15.179) 24.128 9.954 ( -32.729 -18.896 -0.072) 37.792 20.357 ( -3.111 -1.796 -0.545) 3.633 20.408 ( -1.412 -0.815 0.840) 1.834 20.440 ( -1.427 -0.824 -1.107) 1.985 20.511 ( 1.800 1.039 -0.784) 2.221 24.818 ( -2.370 -1.368 1.432) 3.089 24.834 ( -1.576 -0.910 0.519) 1.893 32.174 ( -0.502 -0.290 0.213) 0.617 32.241 ( 1.047 0.605 -1.073) 1.617 42.622 ( 2.013 1.162 -8.418) 8.733 42.912 ( 9.735 5.621 8.511) 14.100 43.920 ( 22.600 13.048 8.667) 27.498 43.962 ( 15.846 9.148 -34.888) 39.394 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 16.009 9.243 0.457) 18.491 2.556 ( 9.788 5.651 -16.169) 19.728 2.970 ( -3.193 -1.844 27.599) 27.844 3.255 ( -23.314 -13.461 -7.443) 27.931 4.078 ( 23.581 13.614 -4.312) 27.568 4.784 ( 4.385 2.532 1.114) 5.184 5.024 ( 3.262 1.884 -3.723) 5.297 5.055 ( 8.606 4.969 -0.992) 9.987 5.489 ( -3.049 -1.760 -11.386) 11.918 5.819 ( 7.277 4.202 -4.784) 9.669 6.381 ( -5.920 -3.418 5.018) 8.480 7.981 ( -7.206 -4.160 13.300) 15.688 8.360 ( 11.837 6.834 -5.602) 14.772 8.394 ( 2.998 1.731 8.341) 9.031 8.945 ( -4.564 -2.635 -6.308) 8.220 9.134 ( -2.629 -1.518 0.201) 3.043 9.400 ( -15.220 -8.787 -2.977) 17.825 9.576 ( -11.949 -6.899 13.764) 19.488 20.290 ( -2.525 -1.458 -0.385) 2.940 20.355 ( -2.793 -1.613 -0.411) 3.252 20.434 ( 0.592 0.342 -0.051) 0.686 20.543 ( 1.267 0.731 -0.489) 1.542 24.786 ( -1.065 -0.615 0.712) 1.421 24.803 ( -1.228 -0.709 -0.009) 1.418 32.180 ( 0.841 0.486 0.478) 1.083 32.258 ( 0.785 0.453 -0.959) 1.319 42.646 ( 3.435 1.983 -7.099) 8.132 43.141 ( 6.937 4.005 8.285) 11.524 44.000 ( 3.351 1.934 -31.040) 31.280 44.471 ( 21.686 12.520 11.733) 27.653 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -2.028 -1.171 5.541) 6.016 2.573 ( 4.161 2.402 -25.160) 25.615 2.846 ( -0.324 -0.187 -11.460) 11.466 3.210 ( 11.673 6.739 16.298) 21.150 4.324 ( 2.555 1.475 -17.801) 18.044 4.624 ( -13.812 -7.974 -2.312) 16.115 5.204 ( 3.731 2.154 -15.744) 16.322 5.355 ( 14.356 8.288 -3.640) 16.972 5.494 ( 15.457 8.924 16.906) 24.584 5.628 ( -17.287 -9.981 -4.664) 20.499 6.411 ( 4.391 2.535 13.152) 14.096 7.747 ( -18.567 -10.720 20.745) 29.833 8.569 ( -3.055 -1.764 -3.615) 5.051 8.576 ( 8.154 4.708 5.854) 11.087 8.855 ( 9.889 5.709 -11.634) 16.301 9.003 ( -7.762 -4.481 4.500) 10.029 9.234 ( -0.514 -0.297 -6.718) 6.745 9.393 ( -10.226 -5.904 11.668) 16.601 20.247 ( -1.067 -0.616 -0.233) 1.253 20.298 ( -1.973 -1.139 -0.062) 2.279 20.454 ( 1.264 0.730 -0.454) 1.528 20.560 ( 0.290 0.167 -0.028) 0.336 24.774 ( -0.328 -0.189 0.239) 0.447 24.780 ( -0.855 -0.494 -0.228) 1.013 32.213 ( 1.818 1.050 0.546) 2.169 32.263 ( -0.062 -0.036 -0.530) 0.535 42.692 ( 3.180 1.836 -5.489) 6.605 43.299 ( 3.630 2.096 7.959) 8.995 43.844 ( -3.676 -2.122 -26.797) 27.131 44.977 ( 18.422 10.636 11.121) 24.003 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -15.404 -8.894 12.604) 21.800 2.592 ( 10.798 6.234 -29.067) 31.629 3.073 ( 16.721 9.654 -15.921) 25.025 3.524 ( 9.427 5.442 4.634) 11.830 4.166 ( -6.662 -3.846 -16.642) 18.334 4.258 ( -15.842 -9.146 -1.079) 18.324 4.993 ( -11.524 -6.653 -13.043) 18.633 5.240 ( -11.936 -6.891 4.030) 14.359 5.638 ( 9.538 5.507 -1.406) 11.103 6.173 ( 29.666 17.128 14.565) 37.223 6.592 ( 6.073 3.506 9.473) 11.786 7.420 ( -20.058 -11.581 22.875) 32.553 8.227 ( -19.769 -11.414 -7.268) 23.956 8.687 ( -1.601 -0.924 0.514) 1.918 8.950 ( 2.278 1.315 4.509) 5.220 9.073 ( 1.975 1.140 -5.643) 6.087 9.227 ( 1.913 1.104 -4.971) 5.440 9.368 ( 10.152 5.861 9.410) 15.032 20.240 ( 0.490 0.283 -0.312) 0.646 20.272 ( -0.438 -0.253 0.342) 0.611 20.482 ( 1.434 0.828 -0.989) 1.928 20.556 ( -0.648 -0.374 0.448) 0.872 24.762 ( -0.643 -0.371 -0.205) 0.770 24.773 ( 0.148 0.085 0.001) 0.170 32.250 ( -0.900 -0.520 0.004) 1.040 32.258 ( 1.890 1.091 0.197) 2.191 42.720 ( 1.142 0.659 -3.998) 4.210 43.383 ( 0.608 0.351 7.454) 7.487 43.600 ( -6.740 -3.891 -22.340) 23.657 45.387 ( 14.117 8.151 7.102) 17.781 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -0.000 -0.908 28.145) 28.159 2.283 ( -0.000 24.008 30.043) 38.458 3.070 ( -0.000 10.529 40.005) 41.368 3.154 ( 0.000 -8.706 -4.355) 9.734 3.583 ( -0.000 10.318 1.350) 10.406 4.230 ( -0.000 -15.667 11.579) 19.482 4.799 ( -0.000 2.783 1.917) 3.379 4.878 ( 0.000 -4.899 -10.175) 11.293 5.057 ( -0.000 20.690 21.968) 30.177 5.777 ( 0.000 -18.723 -21.454) 28.475 6.242 ( 0.000 7.367 -19.205) 20.569 7.060 ( 0.000 13.288 -33.302) 35.855 8.474 ( -0.000 -1.579 4.562) 4.827 8.487 ( -0.000 0.303 4.931) 4.941 8.694 ( 0.000 2.639 -1.988) 3.304 8.768 ( 0.000 9.340 -1.740) 9.501 10.411 ( -0.000 -12.564 20.570) 24.103 11.550 ( 0.000 -16.535 -9.589) 19.114 20.434 ( -0.000 -2.631 0.438) 2.667 20.440 ( -0.000 -1.981 0.550) 2.056 20.488 ( 0.000 0.588 -0.573) 0.821 20.503 ( 0.000 0.428 -0.452) 0.622 24.895 ( -0.000 -1.232 2.053) 2.395 25.009 ( -0.000 -6.864 0.362) 6.873 32.226 ( -0.000 -0.831 0.134) 0.842 32.230 ( 0.000 -1.012 -0.191) 1.030 42.167 ( -0.000 -0.528 4.976) 5.004 42.752 ( 0.000 1.208 -6.679) 6.787 42.942 ( 0.000 54.581 -10.195) 55.525 42.964 ( 0.000 12.021 -6.233) 13.541 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.690 14.599 21.631) 26.151 2.442 ( -17.091 16.972 30.912) 39.188 3.078 ( 3.556 -3.030 -7.043) 8.452 3.433 ( -2.190 -1.114 24.066) 24.191 3.756 ( 14.457 9.412 4.128) 17.738 4.254 ( 15.936 -4.346 8.803) 18.717 4.565 ( -11.488 -15.537 -10.644) 22.061 4.955 ( 4.203 4.026 2.168) 6.211 5.373 ( -1.403 11.062 8.956) 14.302 5.675 ( 12.037 3.215 -4.396) 13.212 6.110 ( -5.881 5.104 -23.072) 24.351 7.204 ( 16.759 12.124 -26.540) 33.649 8.430 ( -3.344 -2.539 6.429) 7.678 8.547 ( -1.593 2.664 6.604) 7.297 8.754 ( 6.523 2.897 -2.484) 7.557 8.900 ( 6.024 6.120 -2.543) 8.956 10.281 ( -8.656 -17.502 17.622) 26.302 11.106 ( -25.665 -18.295 -7.519) 32.403 20.413 ( -0.044 -2.965 0.961) 3.118 20.430 ( 0.708 -1.344 -0.019) 1.519 20.475 ( -1.342 0.195 -0.553) 1.464 20.496 ( -0.685 -0.227 -0.898) 1.152 24.881 ( -0.951 -1.703 1.531) 2.480 24.922 ( -2.889 -5.100 1.340) 6.013 32.209 ( -0.974 -0.782 0.108) 1.253 32.221 ( 0.125 -0.293 -0.513) 0.604 42.371 ( 18.372 -2.241 4.095) 18.956 42.677 ( -5.529 4.313 -7.017) 9.920 43.203 ( 17.179 10.406 -1.103) 20.115 43.487 ( 8.064 50.068 -21.176) 54.957 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -1.979 28.263 12.849) 31.110 2.477 ( -9.313 11.060 22.358) 26.626 3.203 ( 15.131 0.636 -2.165) 15.298 3.300 ( -10.473 -6.630 14.544) 19.110 4.037 ( -10.156 -18.346 -9.434) 22.994 4.172 ( 13.358 3.915 -3.648) 14.389 4.715 ( 25.528 -0.385 9.273) 27.163 5.011 ( -0.697 1.299 -2.162) 2.616 5.366 ( 0.349 0.950 -8.623) 8.682 5.862 ( -10.200 14.737 -9.986) 20.516 6.184 ( 16.475 10.107 5.879) 20.202 7.509 ( 20.453 9.001 -20.109) 30.062 8.389 ( -2.904 -2.641 8.858) 9.688 8.540 ( -5.873 2.803 6.324) 9.074 8.900 ( 7.251 1.681 -1.933) 7.691 9.025 ( 5.763 1.466 -3.650) 6.978 10.001 ( -12.462 -18.657 15.314) 27.164 10.374 ( -35.228 -16.244 -3.985) 38.997 20.377 ( -1.541 -2.646 0.375) 3.085 20.425 ( -0.288 -0.660 0.405) 0.826 20.445 ( -1.819 -1.202 -1.148) 2.464 20.487 ( 1.025 0.183 -0.769) 1.294 24.846 ( -2.299 -2.765 1.293) 3.822 24.850 ( -1.410 -1.687 0.718) 2.313 32.187 ( -0.973 -0.104 0.258) 1.012 32.226 ( 0.813 0.474 -0.940) 1.330 42.617 ( -2.489 5.514 -6.835) 9.127 42.690 ( 19.086 -3.087 3.599) 19.666 43.668 ( 23.375 11.075 4.906) 26.327 43.879 ( 3.664 33.792 -24.652) 41.989 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -6.627 26.834 8.345) 28.873 2.554 ( -2.038 13.560 -2.438) 13.927 3.163 ( -6.801 -4.036 25.191) 26.403 3.363 ( -7.397 -17.044 -10.206) 21.198 3.785 ( 16.545 5.466 -1.437) 17.483 4.506 ( 23.642 -1.793 -11.901) 26.529 4.929 ( -2.169 -6.156 0.677) 6.562 5.082 ( 7.445 6.064 2.796) 10.001 5.376 ( 3.485 2.380 -6.908) 8.095 5.749 ( -0.689 -2.257 -15.131) 15.314 6.535 ( -0.371 16.185 14.805) 21.938 7.827 ( 18.894 1.420 -9.795) 21.330 8.394 ( -1.347 3.682 7.642) 8.589 8.480 ( -6.759 2.480 6.860) 9.945 8.936 ( -1.292 -3.494 -4.617) 5.933 9.078 ( 3.952 -2.490 -4.687) 6.617 9.645 ( -22.558 -13.610 4.924) 26.802 9.760 ( -14.989 -11.503 8.869) 20.872 20.319 ( -2.742 -1.585 -0.078) 3.169 20.386 ( -2.694 -1.450 -0.925) 3.196 20.422 ( 0.419 -0.474 0.459) 0.781 20.513 ( 2.137 -0.249 -0.687) 2.259 24.801 ( -1.332 -1.357 0.804) 2.064 24.815 ( -1.235 -1.243 0.059) 1.753 32.184 ( -0.081 0.897 0.576) 1.069 32.244 ( 1.012 0.703 -1.045) 1.616 42.620 ( 0.008 6.220 -6.085) 8.702 42.972 ( 15.984 -3.599 3.271) 16.708 43.985 ( -4.015 20.746 -22.578) 30.924 44.238 ( 24.340 9.608 8.823) 27.615 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -4.405 2.334 -12.606) 13.556 2.718 ( -3.956 23.534 -1.174) 23.893 2.937 ( -12.120 -9.204 -4.690) 15.925 3.267 ( 2.758 5.603 22.408) 23.262 4.134 ( 12.335 3.340 -14.404) 19.256 4.718 ( -7.589 -7.037 -5.533) 11.736 4.856 ( 21.942 -3.557 -11.618) 25.081 5.277 ( 12.440 -4.950 9.120) 16.200 5.378 ( -2.332 8.601 -10.559) 13.817 5.693 ( 2.903 -3.839 -0.127) 4.814 6.625 ( -11.033 13.409 13.567) 22.036 7.954 ( -2.136 -9.838 9.518) 13.854 8.443 ( 5.418 4.304 -0.932) 6.982 8.584 ( 4.884 7.478 3.531) 9.605 8.774 ( -4.953 -5.624 -6.026) 9.616 9.069 ( 0.647 -4.466 -2.222) 5.030 9.264 ( -12.144 -3.116 -1.587) 12.637 9.542 ( -8.454 -10.014 11.530) 17.455 20.263 ( -2.161 -1.018 -0.341) 2.413 20.329 ( -2.360 -0.657 0.020) 2.450 20.434 ( 1.205 -0.137 -0.160) 1.223 20.538 ( 1.688 -0.855 -0.356) 1.925 24.780 ( -0.596 -0.568 0.354) 0.896 24.787 ( -0.883 -0.762 -0.238) 1.190 32.207 ( 0.892 1.585 0.698) 1.948 32.259 ( 0.511 0.500 -0.731) 1.022 42.666 ( 1.163 6.066 -4.655) 7.734 43.178 ( 11.661 -4.394 1.826) 12.594 43.911 ( -10.936 13.892 -19.396) 26.245 44.763 ( 22.944 5.684 10.431) 25.837 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 3.682 -2.776 -26.500) 26.898 2.519 ( -14.569 -8.446 11.794) 20.559 3.057 ( 2.357 26.693 -7.914) 27.941 3.525 ( 6.621 11.575 9.681) 16.478 4.117 ( -1.095 -2.407 -17.732) 17.928 4.362 ( -14.238 -13.508 -7.047) 20.853 4.942 ( 0.021 -10.983 -12.034) 16.292 5.322 ( 1.374 -6.230 0.547) 6.403 5.568 ( 6.047 8.254 -0.546) 10.246 5.934 ( 21.586 11.712 14.960) 28.757 6.662 ( -3.212 8.775 8.873) 12.886 7.748 ( -15.815 -7.441 16.404) 23.970 8.390 ( -15.791 -12.958 -3.712) 20.761 8.614 ( 9.128 -2.798 1.030) 9.602 8.925 ( 10.961 9.095 -3.554) 14.679 8.994 ( -1.289 -2.359 -0.008) 2.689 9.142 ( -1.184 -2.637 -3.219) 4.327 9.410 ( -2.938 -2.556 7.941) 8.844 20.228 ( -0.545 -0.981 -0.506) 1.231 20.301 ( -1.417 0.949 0.797) 1.883 20.455 ( 1.633 0.072 -0.886) 1.859 20.547 ( 0.799 -1.397 0.100) 1.612 24.768 ( -0.627 -0.413 -0.251) 0.792 24.772 ( -0.077 -0.122 0.074) 0.162 32.240 ( 0.791 0.709 0.013) 1.062 32.266 ( 0.115 1.031 0.170) 1.052 42.716 ( 0.316 5.005 -3.183) 5.940 43.289 ( 7.042 -5.306 -2.164) 9.079 43.734 ( -13.672 10.273 -11.946) 20.861 45.196 ( 18.893 2.204 7.133) 20.315 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -0.000 13.332 15.582) 20.508 2.997 ( 0.000 2.133 -7.810) 8.096 3.042 ( -0.000 24.897 26.673) 36.487 3.534 ( -0.000 1.417 26.166) 26.204 3.669 ( 0.000 -2.495 -9.821) 10.133 4.075 ( -0.000 -11.888 14.698) 18.904 4.413 ( 0.000 -20.887 -12.962) 24.582 4.955 ( 0.000 2.134 -0.623) 2.223 5.398 ( 0.000 3.463 -12.825) 13.284 5.787 ( -0.000 23.754 21.085) 31.762 6.170 ( 0.000 10.231 -13.333) 16.806 7.028 ( 0.000 12.083 -26.122) 28.781 8.503 ( -0.000 -1.614 6.254) 6.459 8.590 ( -0.000 2.942 8.802) 9.281 8.705 ( 0.000 1.942 -4.420) 4.828 8.899 ( 0.000 5.104 -1.387) 5.289 10.231 ( -0.000 -23.446 14.272) 27.448 11.097 ( 0.000 -19.005 -12.027) 22.491 20.386 ( -0.000 -2.975 0.606) 3.036 20.407 ( -0.000 -2.070 0.771) 2.209 20.491 ( 0.000 -0.872 -0.719) 1.130 20.492 ( 0.000 0.657 -0.738) 0.988 24.877 ( -0.000 -2.297 1.274) 2.627 24.899 ( -0.000 -5.113 1.141) 5.239 32.212 ( -0.000 -0.523 0.138) 0.541 32.212 ( 0.000 -0.361 -0.676) 0.767 42.240 ( -0.000 3.274 3.721) 4.957 42.803 ( 0.000 7.781 -0.782) 7.821 43.099 ( 0.000 10.288 -5.040) 11.456 43.827 ( 0.000 47.756 -18.973) 51.387 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 13.915 15.741 8.649) 22.721 2.973 ( -8.380 15.882 -4.611) 18.540 3.155 ( -16.145 11.454 23.552) 30.766 3.479 ( -7.528 -12.874 13.910) 20.394 3.678 ( 10.548 -13.960 -19.205) 25.980 4.129 ( -4.381 -9.917 -7.433) 13.145 4.351 ( 23.268 -0.309 20.678) 31.130 4.992 ( 3.478 0.176 -1.733) 3.890 5.415 ( -2.319 10.516 -5.895) 12.277 5.887 ( -3.921 -0.755 -21.328) 21.699 6.403 ( 1.041 33.960 24.950) 42.153 7.165 ( 16.469 7.747 -21.459) 28.138 8.473 ( -3.430 -1.369 7.840) 8.666 8.646 ( -1.839 0.749 4.122) 4.575 8.779 ( 7.031 2.470 -0.586) 7.475 8.953 ( 2.820 1.182 -1.735) 3.516 10.005 ( -5.410 -24.876 11.075) 27.762 10.662 ( -21.224 -18.109 -11.393) 30.136 20.360 ( 0.051 -3.421 1.084) 3.589 20.403 ( 1.090 -1.451 -0.156) 1.822 20.467 ( -1.242 -0.972 -0.450) 1.640 20.485 ( -1.088 0.700 -0.819) 1.531 24.850 ( -1.136 -3.374 1.037) 3.708 24.852 ( -0.769 -2.398 0.671) 2.606 32.202 ( -0.571 -0.017 0.184) 0.601 32.214 ( 0.531 0.370 -0.899) 1.108 42.407 ( 12.771 2.370 2.457) 13.220 42.765 ( -9.066 9.015 -1.832) 12.916 43.404 ( 21.176 9.686 1.698) 23.348 44.134 ( -2.424 37.802 -19.280) 42.504 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 5.153 16.971 4.133) 18.211 2.973 ( -19.969 28.359 11.006) 36.388 3.074 ( 8.060 -14.128 -6.985) 17.702 3.363 ( -7.372 -4.931 19.797) 21.693 3.565 ( 9.571 -9.911 -7.788) 15.827 4.082 ( 10.417 -1.601 -15.245) 18.534 4.765 ( 14.340 -9.418 18.022) 24.883 5.079 ( 3.633 8.084 0.407) 8.872 5.426 ( -3.481 8.195 -5.012) 10.218 5.649 ( -5.642 -3.372 -23.166) 24.080 6.862 ( -0.592 29.089 21.906) 36.420 7.438 ( 20.381 1.071 -14.831) 25.229 8.473 ( -0.475 0.773 8.531) 8.579 8.624 ( -3.752 1.545 2.200) 4.616 8.874 ( 2.901 -1.713 -1.424) 3.657 8.973 ( 1.834 -3.120 -4.015) 5.406 9.733 ( -5.785 -21.371 11.057) 24.747 10.034 ( -26.632 -13.504 -7.772) 30.855 20.333 ( -0.442 -2.955 1.462) 3.326 20.388 ( -1.220 -1.330 -2.213) 2.855 20.442 ( -0.987 -0.098 1.147) 1.516 20.474 ( 0.519 -0.177 -1.049) 1.184 24.810 ( -1.061 -1.949 0.772) 2.350 24.819 ( -0.936 -1.739 0.057) 1.976 32.200 ( -0.284 0.900 0.678) 1.162 32.228 ( 0.999 0.867 -1.240) 1.813 42.677 ( 15.884 0.147 0.803) 15.905 42.718 ( -5.477 9.353 -2.665) 11.162 43.910 ( 25.516 6.654 7.995) 27.555 44.266 ( -8.182 27.439 -17.592) 33.605 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -18.882 1.427 -3.377) 19.234 2.896 ( -3.291 -22.318 -2.568) 22.705 3.155 ( -8.583 38.522 3.598) 39.630 3.408 ( -0.085 4.184 20.951) 21.365 3.879 ( 18.456 8.481 -6.772) 21.410 4.252 ( 27.106 -3.749 -18.706) 33.147 4.809 ( -3.854 -12.932 12.715) 18.541 5.075 ( -2.581 -8.313 -10.973) 14.006 5.501 ( -1.765 14.597 -8.344) 16.905 5.548 ( 9.708 -0.343 1.994) 9.916 7.067 ( -13.654 18.835 13.535) 26.915 7.685 ( 18.577 -8.384 -4.661) 20.907 8.533 ( -4.254 2.111 2.144) 5.210 8.594 ( 0.941 2.222 2.919) 3.787 8.799 ( -5.240 -3.339 -1.273) 6.343 8.952 ( 3.939 -4.398 -4.590) 7.478 9.479 ( -15.694 -8.282 2.614) 17.937 9.580 ( -6.532 -13.624 4.190) 15.679 20.296 ( -2.536 -1.038 0.506) 2.786 20.340 ( -0.556 -2.265 -0.864) 2.488 20.433 ( -1.057 0.981 0.478) 1.519 20.490 ( 2.312 -1.276 -0.697) 2.731 24.785 ( -0.642 -0.949 0.428) 1.223 24.791 ( -0.752 -1.036 -0.236) 1.302 32.218 ( 0.335 1.698 0.894) 1.948 32.248 ( 0.969 0.847 -1.055) 1.664 42.732 ( -2.438 9.200 -2.250) 9.780 42.923 ( 13.955 -1.511 -1.003) 14.072 44.214 ( -13.366 19.677 -12.398) 26.824 44.440 ( 24.934 2.087 8.366) 26.383 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -15.406 0.227 -14.002) 20.820 2.652 ( -5.893 -14.168 8.768) 17.674 3.372 ( -7.773 28.590 3.861) 29.878 3.598 ( 4.016 10.483 11.317) 15.941 4.000 ( 2.460 2.069 -16.720) 17.026 4.471 ( -15.950 -6.370 -11.408) 20.619 4.637 ( 16.014 -8.248 -14.020) 22.827 5.085 ( 18.263 -9.549 10.464) 23.113 5.589 ( 1.438 13.156 -5.561) 14.355 5.811 ( 12.869 5.449 10.414) 17.429 6.971 ( -17.159 9.949 6.332) 20.821 7.810 ( 7.678 -13.068 6.617) 16.538 8.406 ( -7.320 -8.172 -6.051) 12.529 8.531 ( -2.465 -4.966 2.426) 6.052 8.864 ( 5.171 7.461 1.666) 9.229 8.961 ( 2.010 -2.045 -1.516) 3.244 9.214 ( -9.263 -0.972 -2.072) 9.541 9.435 ( -2.092 -9.348 6.036) 11.322 20.243 ( -2.393 -0.464 -0.684) 2.532 20.323 ( 0.081 -1.214 1.320) 1.795 20.434 ( 0.225 0.863 -0.809) 1.204 20.509 ( 1.811 -1.591 -0.180) 2.417 24.772 ( -0.529 -0.482 -0.261) 0.762 24.773 ( -0.229 -0.358 0.160) 0.454 32.243 ( 0.124 1.416 -0.078) 1.424 32.268 ( 0.904 0.964 0.188) 1.335 42.778 ( -1.501 8.245 -1.427) 8.501 43.092 ( 9.666 -2.199 -3.426) 10.489 44.069 ( -16.709 15.246 -7.906) 23.961 44.878 ( 22.611 -2.782 6.893) 23.802 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 6.086 -3.329) 6.937 3.116 ( 0.000 -31.675 -20.388) 37.670 3.207 ( -0.000 19.772 5.934) 20.643 3.556 ( -0.000 -14.267 6.403) 15.638 3.696 ( -0.000 14.650 10.968) 18.301 4.119 ( 0.000 2.485 -0.362) 2.511 4.191 ( -0.000 2.919 24.851) 25.021 4.941 ( -0.000 -0.445 0.061) 0.449 5.536 ( 0.000 12.448 -2.675) 12.732 5.852 ( 0.000 1.285 -18.751) 18.794 6.866 ( -0.000 36.120 24.313) 43.541 6.964 ( 0.000 4.356 -19.993) 20.462 8.505 ( -0.000 -5.471 6.125) 8.213 8.660 ( 0.000 -0.083 -3.376) 3.377 8.779 ( -0.000 5.421 7.507) 9.260 8.927 ( 0.000 -1.073 -0.851) 1.369 9.836 ( -0.000 -26.290 5.913) 26.947 10.586 ( 0.000 -19.922 -15.215) 25.068 20.332 ( -0.000 -3.097 0.459) 3.131 20.374 ( -0.000 -2.271 0.834) 2.420 20.464 ( 0.000 -0.972 -0.862) 1.299 20.506 ( 0.000 1.417 -0.341) 1.458 24.832 ( -0.000 -3.011 0.880) 3.137 24.838 ( -0.000 -2.385 0.323) 2.407 32.203 ( 0.000 0.364 -1.145) 1.201 32.214 ( -0.000 0.546 0.349) 0.648 42.358 ( -0.000 5.427 2.804) 6.109 43.012 ( -0.000 8.810 8.822) 12.467 43.245 ( 0.000 9.729 -5.099) 10.984 44.419 ( 0.000 33.478 -17.050) 37.570 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 24.674 7.548 -3.674) 26.063 2.766 ( 6.260 -29.873 -12.710) 33.063 3.330 ( -7.963 -11.537 -6.311) 15.373 3.438 ( -2.871 15.224 14.178) 21.001 3.709 ( -5.864 5.815 5.364) 9.847 4.053 ( -11.215 13.171 3.267) 17.604 4.572 ( 12.756 -1.616 21.399) 24.964 5.030 ( 9.273 4.548 3.144) 10.796 5.565 ( -8.919 3.655 -4.799) 10.767 5.691 ( -7.261 6.987 -19.151) 21.640 7.033 ( 15.027 -0.661 -14.008) 20.554 7.318 ( -1.515 32.540 19.864) 38.155 8.477 ( 1.325 -6.722 6.278) 9.292 8.650 ( 0.748 1.569 -4.681) 4.993 8.861 ( -0.474 1.444 5.385) 5.595 8.911 ( 0.759 -2.669 -1.160) 3.007 9.604 ( -0.984 -22.883 4.013) 23.253 10.186 ( -14.835 -17.992 -13.912) 27.154 20.305 ( 0.165 -3.257 0.882) 3.378 20.370 ( 1.201 -1.758 -0.205) 2.139 20.441 ( -0.977 -0.841 -0.568) 1.409 20.505 ( -1.671 1.567 -0.077) 2.292 24.807 ( -0.476 -2.034 0.682) 2.197 24.813 ( -0.431 -1.895 -0.036) 1.943 32.207 ( 0.466 0.660 -0.665) 1.046 32.224 ( 0.139 1.200 -0.006) 1.208 42.499 ( 8.478 4.612 1.981) 9.852 42.957 ( -11.806 9.251 3.294) 15.356 43.590 ( 22.857 5.735 4.792) 24.048 44.582 ( -6.265 27.177 -14.822) 31.584 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 8.665 -25.228 -0.572) 26.681 2.879 ( -10.637 -2.942 -1.046) 11.086 3.255 ( 30.800 3.795 -7.165) 31.850 3.574 ( -2.132 14.042 0.870) 14.229 3.766 ( 3.804 3.614 10.719) 11.934 4.061 ( -10.366 23.711 0.461) 25.882 4.693 ( 4.507 -17.736 19.734) 26.913 5.191 ( -18.969 1.708 -17.933) 26.160 5.373 ( 13.456 3.358 6.541) 15.334 5.656 ( -4.036 13.368 -9.978) 17.162 7.238 ( 19.830 -8.052 -8.764) 23.127 7.553 ( -12.843 21.159 12.124) 27.561 8.502 ( 4.729 -6.203 5.697) 9.659 8.649 ( -2.597 1.347 -4.217) 5.132 8.835 ( 2.104 -4.311 -4.332) 6.464 8.880 ( -4.296 1.893 3.820) 6.052 9.440 ( 1.557 -16.951 5.198) 17.798 9.701 ( -16.776 -11.848 -9.101) 22.464 20.288 ( 0.904 -3.178 1.331) 3.562 20.348 ( -2.161 -0.668 -1.761) 2.867 20.434 ( 1.616 -1.038 0.384) 1.959 20.484 ( -2.318 1.464 -0.005) 2.741 24.786 ( -0.455 -1.165 0.448) 1.328 24.790 ( -0.479 -1.146 -0.226) 1.263 32.226 ( 0.992 0.872 0.299) 1.354 32.241 ( 0.347 1.642 -0.618) 1.789 42.712 ( 11.222 2.647 0.541) 11.543 42.901 ( -7.112 9.556 1.503) 12.006 44.058 ( 25.009 -0.209 8.530) 26.424 44.590 ( -12.734 21.542 -11.569) 27.569 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -19.175 -3.814 -7.536) 20.953 2.518 ( 6.285 -18.513 7.536) 20.953 3.663 ( 1.204 7.259 -8.497) 11.240 3.663 ( 5.684 4.673 8.497) 11.240 4.124 ( 12.938 8.878 -8.531) 17.860 4.124 ( 1.219 15.644 8.531) 17.860 4.737 ( -17.789 3.431 -23.457) 29.639 4.737 ( 11.866 -13.690 23.457) 29.639 5.693 ( -1.893 13.430 -8.369) 15.937 5.693 ( 12.577 5.076 8.369) 15.937 7.425 ( 18.706 -14.641 -2.074) 23.845 7.425 ( -22.032 8.879 2.074) 23.845 8.487 ( -9.328 -5.803 -4.521) 11.880 8.487 ( -0.361 -10.980 4.521) 11.880 8.898 ( 3.840 3.911 -4.970) 7.399 8.898 ( 1.467 5.281 4.970) 7.399 9.355 ( -9.605 -5.199 -4.436) 11.788 9.355 ( 0.300 -10.917 4.436) 11.788 20.287 ( -2.177 -0.677 -1.956) 3.003 20.287 ( 0.502 -2.224 1.956) 3.003 20.462 ( 0.188 0.276 -1.006) 1.060 20.462 ( 0.145 0.301 1.006) 1.060 24.774 ( -0.368 -0.495 -0.229) 0.659 24.774 ( -0.245 -0.567 0.229) 0.659 32.257 ( 0.382 1.382 -1.045) 1.775 32.257 ( 1.006 1.022 1.045) 1.775 42.909 ( 9.965 1.049 -1.138) 10.084 42.909 ( -4.074 9.154 1.138) 10.084 44.478 ( -15.151 16.650 -7.491) 23.726 44.478 ( 21.995 -4.796 7.491) 23.726 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.000 9.514 -4.169) 10.388 2.362 ( 0.000 -27.392 -4.222) 27.715 3.230 ( 0.000 -18.706 -4.175) 19.166 3.669 ( 0.000 -2.280 -16.567) 16.723 3.695 ( -0.000 14.110 17.841) 22.746 4.475 ( -0.000 8.506 18.025) 19.932 4.574 ( -0.000 11.925 20.394) 23.624 4.983 ( -0.000 6.258 2.250) 6.651 5.699 ( 0.000 4.333 -0.644) 4.381 5.720 ( 0.000 5.881 -19.046) 19.933 6.789 ( 0.000 -3.661 -15.318) 15.749 7.756 ( -0.000 31.567 18.094) 36.385 8.394 ( -0.000 -10.296 3.766) 10.963 8.631 ( 0.000 3.300 -6.807) 7.565 8.839 ( 0.000 -7.023 -1.699) 7.225 8.956 ( -0.000 4.092 8.637) 9.557 9.405 ( 0.000 -19.900 -0.501) 19.906 10.046 ( 0.000 -19.420 -15.612) 24.917 20.280 ( -0.000 -2.548 0.243) 2.560 20.336 ( -0.000 -2.394 0.596) 2.468 20.444 ( 0.000 -0.149 -0.574) 0.593 20.535 ( -0.000 1.583 0.072) 1.585 24.795 ( -0.000 -1.665 0.565) 1.758 24.799 ( 0.000 -1.580 -0.152) 1.587 32.205 ( 0.000 1.108 -1.210) 1.640 32.236 ( -0.000 1.029 0.574) 1.178 42.496 ( -0.000 5.827 2.737) 6.438 43.274 ( -0.000 4.075 17.073) 17.553 43.359 ( 0.000 7.401 -5.722) 9.355 44.819 ( 0.000 24.281 -12.786) 27.442 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 7.134 -18.661 8.637) 21.765 2.695 ( 29.023 13.746 1.513) 32.150 2.969 ( -5.453 -17.791 -7.490) 20.059 3.575 ( 1.175 1.052 -17.569) 17.639 3.881 ( -1.394 7.610 18.491) 20.044 4.542 ( -4.321 1.406 15.299) 15.960 4.658 ( -9.831 6.118 14.909) 18.877 5.243 ( 12.283 8.958 7.033) 16.750 5.462 ( -18.381 3.282 -13.276) 22.910 5.769 ( -0.516 9.636 -9.689) 13.675 6.817 ( 14.555 -5.808 -11.806) 19.620 7.976 ( -8.785 11.365 5.890) 15.525 8.396 ( 3.443 0.453 6.174) 7.083 8.652 ( 0.082 0.908 -5.204) 5.283 8.746 ( 1.388 -5.244 -2.593) 6.012 9.000 ( -3.651 2.536 6.118) 7.563 9.255 ( 2.815 -14.415 0.143) 14.688 9.723 ( -7.928 -15.388 -12.312) 21.242 20.256 ( -0.020 -2.408 0.562) 2.473 20.332 ( 1.406 -1.738 -0.397) 2.271 20.432 ( -1.050 0.362 0.018) 1.111 20.534 ( -1.728 1.224 0.168) 2.124 24.782 ( -0.187 -1.146 0.419) 1.235 24.784 ( -0.186 -0.975 -0.198) 1.012 32.218 ( 0.702 1.285 -0.743) 1.642 32.250 ( 0.270 1.054 0.341) 1.140 42.613 ( 5.742 4.693 2.395) 7.792 43.155 ( -11.627 6.521 4.895) 14.201 43.706 ( 20.981 -0.429 8.055) 22.478 44.915 ( -7.557 20.894 -10.282) 24.483 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -0.000 -3.518 26.323) 26.557 2.575 ( -0.000 14.877 2.397) 15.069 2.792 ( 0.000 -18.287 -5.888) 19.212 3.492 ( 0.000 4.335 -18.652) 19.149 4.040 ( -0.000 1.881 20.067) 20.155 4.528 ( -0.000 -13.887 9.810) 17.003 4.950 ( -0.000 3.813 16.932) 17.356 5.277 ( -0.000 14.589 5.624) 15.636 5.626 ( 0.000 -10.015 -2.867) 10.418 5.772 ( 0.000 21.703 -19.275) 29.027 6.605 ( 0.000 1.302 -12.495) 12.562 7.966 ( 0.000 -16.061 -7.705) 17.814 8.551 ( 0.000 2.828 -0.654) 2.902 8.664 ( 0.000 6.066 -5.830) 8.413 8.665 ( -0.000 5.595 12.356) 13.564 9.053 ( 0.000 -5.682 -1.119) 5.791 9.137 ( -0.000 -2.205 5.250) 5.694 9.575 ( 0.000 -13.795 -12.330) 18.502 20.245 ( -0.000 -1.197 0.155) 1.207 20.297 ( -0.000 -1.868 0.098) 1.870 20.450 ( -0.000 0.947 0.184) 0.965 20.559 ( -0.000 0.641 0.033) 0.642 24.775 ( -0.000 -0.970 0.351) 1.032 24.777 ( 0.000 -0.574 -0.144) 0.591 32.223 ( 0.000 1.849 -0.802) 2.015 32.256 ( -0.000 0.261 0.456) 0.526 42.626 ( -0.000 4.411 3.254) 5.481 43.408 ( 0.000 4.035 -6.633) 7.764 43.483 ( -0.000 -2.506 21.486) 21.632 45.125 ( 0.000 19.204 -9.016) 21.215 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.000 0.000 30.452) 30.452 2.015 ( -0.000 0.000 30.452) 30.452 3.168 ( -0.000 0.000 46.278) 46.278 3.326 ( 0.000 -0.000 -7.830) 7.830 3.326 ( 0.000 -0.000 -7.830) 7.830 4.606 ( -0.000 0.000 22.054) 22.054 4.813 ( -0.000 0.000 13.109) 13.109 4.813 ( -0.000 0.000 13.109) 13.109 4.871 ( 0.000 -0.000 -14.309) 14.309 5.993 ( 0.000 -0.000 -18.468) 18.468 5.993 ( 0.000 -0.000 -18.468) 18.468 6.681 ( 0.000 -0.000 -40.924) 40.924 8.509 ( -0.000 0.000 3.120) 3.120 8.509 ( -0.000 0.000 3.120) 3.120 8.650 ( 0.000 -0.000 -1.009) 1.009 8.650 ( 0.000 -0.000 -1.009) 1.009 10.644 ( -0.000 0.000 21.684) 21.684 11.682 ( 0.000 -0.000 -12.699) 12.699 20.470 ( -0.000 0.000 0.185) 0.185 20.470 ( -0.000 0.000 0.185) 0.185 20.481 ( 0.000 -0.000 -0.133) 0.133 20.481 ( 0.000 -0.000 -0.133) 0.133 24.920 ( -0.000 0.000 2.525) 2.525 25.079 ( 0.000 -0.000 -2.293) 2.293 32.236 ( -0.000 0.000 0.161) 0.161 32.244 ( 0.000 -0.000 -0.140) 0.140 42.270 ( -0.000 0.000 7.439) 7.439 42.270 ( -0.000 0.000 7.439) 7.439 42.767 ( 0.000 -0.000 -7.708) 7.708 42.767 ( 0.000 -0.000 -7.708) 7.708 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -7.947 -4.588 28.844) 30.268 2.404 ( 2.902 1.675 32.566) 32.738 3.081 ( -4.400 -2.540 -13.884) 14.785 3.533 ( 12.835 7.410 26.280) 30.171 3.577 ( 10.445 6.031 3.096) 12.452 4.395 ( -8.185 -4.725 14.625) 17.413 4.707 ( -8.980 -5.185 -10.972) 15.097 4.952 ( 3.496 2.018 11.846) 12.515 5.224 ( 15.023 8.674 22.540) 28.443 5.740 ( -11.386 -6.573 -26.646) 29.713 5.855 ( 3.336 1.926 -20.443) 20.803 6.799 ( 21.351 12.327 -32.343) 40.667 8.501 ( -1.161 -0.671 3.682) 3.919 8.532 ( -0.641 -0.370 5.324) 5.375 8.690 ( 5.073 2.929 -1.293) 5.999 8.759 ( 8.287 4.784 -3.174) 10.082 10.618 ( -11.254 -6.498 20.003) 23.854 11.380 ( -21.268 -12.279 -10.557) 26.732 20.453 ( -0.833 -0.481 0.294) 1.006 20.457 ( -0.858 -0.495 0.870) 1.318 20.470 ( -0.716 -0.413 -0.543) 0.989 20.492 ( -0.153 -0.088 -0.776) 0.796 24.916 ( -1.369 -0.790 2.195) 2.705 25.007 ( -4.635 -2.676 -0.716) 5.399 32.224 ( -1.047 -0.604 0.106) 1.213 32.230 ( -0.796 -0.460 -0.091) 0.924 42.489 ( 9.734 5.620 8.696) 14.211 42.581 ( 13.909 8.030 -7.389) 17.679 42.630 ( 10.224 5.903 -8.111) 14.324 42.993 ( 16.733 9.661 -4.256) 19.784 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.262 -0.151 21.254) 21.256 2.527 ( -4.509 -2.603 30.563) 31.003 3.067 ( 10.621 6.132 -13.855) 18.503 3.564 ( -13.830 -7.985 23.290) 28.239 3.953 ( 20.509 11.841 -7.069) 24.714 4.332 ( -19.853 -11.462 -8.834) 24.567 4.640 ( 17.769 10.259 10.272) 22.946 5.003 ( -2.024 -1.168 -2.839) 3.677 5.479 ( -1.037 -0.599 -15.436) 15.482 5.503 ( 2.938 1.696 8.925) 9.548 6.026 ( 16.862 9.735 -2.829) 19.675 7.154 ( 23.129 13.353 -26.712) 37.772 8.490 ( -1.770 -1.022 4.649) 5.078 8.530 ( -2.470 -1.426 7.352) 7.886 8.840 ( 7.477 4.317 -0.517) 8.649 8.928 ( 8.041 4.642 -5.536) 10.810 10.378 ( -17.771 -10.260 18.110) 27.369 10.707 ( -33.393 -19.280 -5.728) 38.983 20.416 ( -2.527 -1.459 -0.548) 2.969 20.443 ( -0.889 -0.514 1.259) 1.625 20.466 ( -1.604 -0.926 -1.375) 2.307 20.471 ( 1.067 0.616 -0.169) 1.243 24.884 ( -2.150 -1.241 1.210) 2.762 24.904 ( -4.147 -2.394 0.619) 4.828 32.197 ( -1.249 -0.721 0.142) 1.450 32.220 ( 0.058 0.033 -0.372) 0.378 42.518 ( -0.349 -0.201 -8.366) 8.375 42.766 ( 10.803 6.237 8.734) 15.228 43.175 ( 26.416 15.251 -21.242) 37.170 43.455 ( 24.272 14.013 2.947) 28.181 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 5.528 3.192 9.487) 11.435 2.521 ( -6.695 -3.865 15.766) 17.559 3.377 ( 17.265 9.968 -10.577) 22.568 3.385 ( -10.455 -6.036 22.844) 25.838 3.830 ( -17.432 -10.064 -4.812) 20.696 4.383 ( 21.139 12.205 -9.011) 26.020 4.897 ( -1.099 -0.635 -16.657) 16.705 4.968 ( 6.162 3.558 2.007) 7.393 5.458 ( 0.392 0.226 0.122) 0.468 5.605 ( 7.156 4.132 -3.391) 8.932 6.394 ( 10.769 6.217 11.857) 17.181 7.561 ( 24.072 13.898 -20.984) 34.827 8.473 ( -1.791 -1.034 6.599) 6.915 8.484 ( -5.474 -3.161 8.448) 10.551 8.946 ( 1.308 0.755 -2.350) 2.793 9.041 ( 4.785 2.763 -7.072) 8.975 9.947 ( -31.011 -17.904 -1.314) 35.832 10.065 ( -17.268 -9.970 17.875) 26.779 20.349 ( -3.022 -1.745 -0.582) 3.538 20.408 ( -2.527 -1.459 -0.999) 3.085 20.436 ( -0.433 -0.250 0.676) 0.841 20.503 ( 1.713 0.989 -0.292) 1.999 24.834 ( -2.539 -1.466 0.711) 3.017 24.840 ( -2.005 -1.158 0.251) 2.329 32.179 ( -0.331 -0.191 0.481) 0.615 32.228 ( 0.857 0.495 -0.697) 1.211 42.506 ( 2.613 1.509 -7.010) 7.632 43.037 ( 9.531 5.503 8.230) 13.743 43.512 ( 14.361 8.292 -25.564) 30.472 44.052 ( 25.575 14.766 9.270) 30.952 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 11.976 6.914 1.657) 13.927 2.380 ( -7.581 -4.377 -6.731) 11.042 3.194 ( -19.982 -11.537 -0.505) 23.079 3.361 ( -2.343 -1.352 24.125) 24.276 3.939 ( 16.350 9.440 -13.752) 23.357 4.706 ( 6.610 3.817 -11.532) 13.829 4.866 ( 7.296 4.212 -17.281) 19.226 5.024 ( 6.132 3.540 -2.692) 7.575 5.488 ( 1.567 0.905 10.440) 10.596 5.726 ( 2.599 1.501 -4.808) 5.668 6.554 ( -1.329 -0.767 15.356) 15.432 7.982 ( 17.943 10.360 -10.992) 23.454 8.378 ( -4.760 -2.748 5.049) 7.464 8.517 ( 3.100 1.790 8.126) 8.880 8.859 ( -6.896 -3.982 -4.358) 9.078 9.079 ( 2.077 1.199 -6.900) 7.305 9.391 ( -18.499 -10.680 0.941) 21.381 9.804 ( -14.341 -8.280 16.369) 23.285 20.284 ( -2.380 -1.374 -0.345) 2.769 20.346 ( -2.487 -1.436 -0.694) 2.954 20.437 ( 0.244 0.141 0.378) 0.472 20.538 ( 1.399 0.808 -0.261) 1.636 24.795 ( -1.308 -0.755 0.418) 1.568 24.801 ( -1.393 -0.804 -0.258) 1.629 32.190 ( 0.909 0.525 0.855) 1.354 32.245 ( 0.878 0.507 -0.733) 1.251 42.555 ( 4.171 2.408 -5.144) 7.047 43.259 ( 6.759 3.902 7.483) 10.813 43.584 ( 4.066 2.347 -24.595) 25.039 44.641 ( 22.097 12.758 11.414) 27.952 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 -6.416 28.153) 28.875 2.711 ( -0.000 22.775 27.323) 35.570 2.981 ( 0.000 -8.035 -16.200) 18.083 3.502 ( 0.000 12.756 -12.104) 17.585 3.656 ( -0.000 3.078 35.880) 36.012 4.469 ( -0.000 -19.847 20.664) 28.651 4.645 ( 0.000 -8.530 -16.433) 18.516 4.953 ( -0.000 0.823 13.471) 13.496 5.424 ( -0.000 26.072 26.830) 37.411 5.439 ( 0.000 -18.241 -23.816) 29.998 5.935 ( 0.000 6.638 -21.612) 22.609 6.561 ( 0.000 19.550 -33.518) 38.803 8.540 ( -0.000 -0.050 4.143) 4.143 8.563 ( -0.000 2.838 5.163) 5.892 8.658 ( 0.000 1.406 -2.779) 3.114 8.737 ( 0.000 8.756 -2.439) 9.090 10.704 ( -0.000 -15.220 18.804) 24.191 11.378 ( 0.000 -15.322 -13.325) 20.306 20.442 ( -0.000 -2.389 0.520) 2.445 20.451 ( -0.000 -1.762 0.866) 1.964 20.479 ( 0.000 0.249 -0.605) 0.654 20.495 ( 0.000 0.232 -0.680) 0.719 24.927 ( -0.000 -1.814 2.225) 2.871 25.002 ( 0.000 -4.759 -1.091) 4.883 32.227 ( -0.000 -0.866 0.097) 0.871 32.228 ( 0.000 -1.196 -0.098) 1.200 42.253 ( -0.000 -2.204 6.542) 6.903 42.658 ( 0.000 4.178 -5.808) 7.154 42.856 ( 0.000 33.330 -3.508) 33.514 42.870 ( 0.000 18.576 -5.267) 19.308 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.487 6.698 24.180) 25.096 2.764 ( -5.559 1.914 -2.916) 6.563 3.007 ( -5.448 12.674 13.881) 19.570 3.659 ( 15.856 4.762 -14.271) 21.857 3.797 ( -7.685 -7.726 22.326) 24.843 4.375 ( -8.505 -16.269 -14.836) 23.603 4.479 ( 13.272 -3.002 19.628) 23.884 5.016 ( -0.795 -4.029 -0.874) 4.198 5.264 ( 3.375 -0.876 -5.656) 6.645 5.760 ( -7.385 4.942 -23.570) 25.189 5.931 ( 8.737 26.972 26.968) 39.129 6.789 ( 19.606 16.458 -28.838) 38.560 8.521 ( -2.300 -0.603 5.763) 6.235 8.627 ( -2.464 2.700 2.215) 4.274 8.729 ( 8.425 2.950 0.704) 8.954 8.852 ( 4.585 7.135 -3.957) 9.359 10.536 ( -8.463 -20.962 16.444) 27.954 10.962 ( -21.251 -18.441 -11.593) 30.432 20.427 ( -0.151 -2.704 0.836) 2.834 20.432 ( 0.054 -1.576 0.237) 1.594 20.468 ( -1.079 0.191 -0.280) 1.131 20.482 ( -0.798 -0.342 -0.968) 1.300 24.904 ( -1.343 -2.373 1.421) 3.075 24.930 ( -2.374 -4.138 -0.086) 4.772 32.211 ( -0.928 -0.725 0.115) 1.183 32.215 ( -0.041 -0.731 -0.260) 0.777 42.432 ( 17.592 -3.477 4.233) 18.425 42.580 ( -7.861 7.185 -5.970) 12.209 43.188 ( 22.166 13.080 -0.716) 25.747 43.271 ( 2.627 41.143 -8.915) 42.179 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -8.958 21.964 12.492) 26.809 2.774 ( -4.149 1.861 13.421) 14.171 3.101 ( 7.748 6.620 -0.419) 10.199 3.604 ( -11.127 -8.866 18.541) 23.371 3.849 ( 6.226 -18.344 -13.784) 23.775 4.035 ( 5.160 -2.008 -13.936) 14.995 4.877 ( 14.997 4.867 9.510) 18.413 4.928 ( -3.829 7.119 -11.167) 13.786 5.322 ( 2.591 -2.989 6.925) 7.975 5.605 ( -1.015 0.932 -17.897) 17.950 6.457 ( 7.441 23.483 23.723) 34.199 7.172 ( 24.145 14.060 -24.464) 37.137 8.513 ( -1.888 -0.853 7.672) 7.947 8.604 ( -3.560 1.430 1.264) 4.039 8.886 ( 5.451 1.011 0.592) 5.576 8.952 ( 3.912 2.924 -6.005) 7.741 10.233 ( -12.180 -21.727 14.934) 29.042 10.292 ( -28.646 -17.261 -6.257) 34.025 20.381 ( -2.672 -1.558 0.006) 3.093 20.418 ( -0.367 -2.299 -1.099) 2.575 20.444 ( -1.418 -0.206 0.768) 1.625 20.478 ( 1.315 -0.201 -0.342) 1.374 24.858 ( -1.986 -2.350 0.424) 3.106 24.859 ( -2.051 -2.382 0.364) 3.165 32.192 ( -0.823 0.105 0.419) 0.929 32.215 ( 0.688 0.040 -0.579) 0.900 42.524 ( -3.832 7.899 -5.503) 10.362 42.732 ( 20.203 -5.462 1.838) 21.009 43.581 ( -1.407 32.981 -12.997) 35.478 43.772 ( 27.995 12.952 6.764) 31.579 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -6.570 29.490 3.414) 30.406 2.599 ( -21.023 -1.378 8.634) 22.769 3.273 ( -2.026 -13.983 -0.816) 14.152 3.500 ( -1.717 -3.622 15.810) 16.310 3.701 ( 9.946 5.511 -6.836) 13.267 4.261 ( 26.338 -6.379 -18.969) 33.079 4.849 ( -7.360 6.351 -13.337) 16.504 5.090 ( 1.227 11.522 -3.266) 12.039 5.398 ( 6.306 -9.774 11.563) 16.401 5.595 ( 8.609 -2.155 -4.000) 9.734 6.787 ( -5.111 16.971 17.695) 25.045 7.608 ( 26.088 9.929 -18.043) 33.237 8.506 ( -5.823 0.162 4.406) 7.304 8.562 ( -1.344 2.082 4.911) 5.501 8.887 ( -3.409 -4.108 -1.358) 5.508 8.985 ( 3.688 -0.949 -7.366) 8.292 9.651 ( -24.217 -11.520 -2.078) 26.898 9.962 ( -9.036 -18.061 15.533) 25.478 20.316 ( -3.146 -1.176 -0.470) 3.391 20.373 ( -1.947 -1.185 -0.627) 2.364 20.432 ( -0.145 -0.679 0.685) 0.975 20.506 ( 2.266 -0.495 -0.278) 2.336 24.810 ( -1.467 -1.417 0.382) 2.075 24.814 ( -1.436 -1.400 -0.265) 2.023 32.194 ( 0.042 1.028 0.843) 1.330 32.231 ( 1.087 0.505 -0.705) 1.391 42.544 ( -0.293 7.980 -4.097) 8.975 42.992 ( 17.092 -6.492 -0.755) 18.299 43.715 ( -7.436 24.548 -12.998) 28.755 44.390 ( 26.789 8.818 11.340) 30.397 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 -1.966 11.094) 11.267 2.844 ( 0.000 13.095 -8.981) 15.879 3.358 ( 0.000 6.691 -7.610) 10.134 3.460 ( -0.000 7.758 6.785) 10.307 3.887 ( -0.000 -10.645 20.664) 23.245 4.199 ( 0.000 -15.309 -16.682) 22.642 4.387 ( -0.000 -10.101 25.764) 27.673 4.956 ( 0.000 -1.464 -3.179) 3.500 5.286 ( -0.000 10.341 0.940) 10.383 5.747 ( 0.000 1.274 -18.150) 18.194 6.326 ( -0.000 32.813 26.451) 42.147 6.626 ( 0.000 17.406 -27.484) 32.532 8.580 ( -0.000 -0.677 3.676) 3.738 8.636 ( 0.000 0.259 -4.843) 4.850 8.719 ( -0.000 5.651 8.316) 10.054 8.871 ( 0.000 6.540 -2.243) 6.914 10.430 ( -0.000 -28.552 12.321) 31.097 10.890 ( 0.000 -19.744 -15.513) 25.109 20.396 ( -0.000 -3.041 0.713) 3.123 20.423 ( -0.000 -2.200 1.290) 2.550 20.478 ( 0.000 -0.881 -1.019) 1.347 20.481 ( 0.000 0.808 -0.663) 1.045 24.894 ( -0.000 -3.080 1.016) 3.243 24.906 ( 0.000 -4.261 -0.056) 4.261 32.204 ( 0.000 -0.895 -0.393) 0.977 32.214 ( -0.000 -0.410 0.124) 0.428 42.308 ( -0.000 1.542 5.489) 5.702 42.826 ( -0.000 13.394 4.214) 14.041 43.008 ( 0.000 11.444 -7.054) 13.444 43.617 ( 0.000 40.640 -9.927) 41.835 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 21.617 0.724 2.156) 21.736 2.853 ( -11.569 19.458 -5.850) 23.381 3.309 ( 14.258 -16.412 -20.561) 29.924 3.520 ( -19.409 9.505 19.625) 29.192 3.766 ( -5.961 -11.442 17.798) 21.982 3.953 ( -6.046 -5.862 -14.834) 17.058 4.668 ( 19.076 0.830 20.586) 28.078 4.982 ( 2.044 4.677 -2.438) 5.656 5.394 ( -1.419 8.019 4.408) 9.261 5.568 ( -8.668 -0.462 -19.097) 20.977 6.783 ( 5.368 27.080 16.311) 32.065 6.830 ( 14.113 18.249 -14.338) 27.162 8.572 ( -1.014 -1.060 4.942) 5.155 8.616 ( 0.522 -0.415 -5.763) 5.801 8.849 ( 3.104 3.611 7.249) 8.673 8.917 ( 0.882 2.558 -2.703) 3.825 10.161 ( -3.171 -30.008 9.695) 31.694 10.466 ( -17.224 -19.107 -14.616) 29.587 20.375 ( 0.611 -3.377 0.770) 3.517 20.405 ( -0.688 -1.720 0.499) 1.919 20.457 ( -0.313 -1.094 -0.868) 1.431 20.477 ( -1.300 1.074 -0.190) 1.697 24.859 ( -0.969 -2.854 0.266) 3.026 24.860 ( -1.075 -3.115 0.204) 3.301 32.200 ( 0.510 -0.314 -0.524) 0.796 32.209 ( -0.477 0.379 0.246) 0.657 42.454 ( 11.172 1.227 3.871) 11.887 42.749 ( -13.210 12.534 -0.730) 18.225 43.450 ( 26.874 11.653 5.186) 29.747 43.907 ( -3.273 34.920 -11.719) 36.979 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 7.201 6.323 -10.571) 14.268 2.853 ( 1.876 9.398 10.571) 14.268 3.270 ( 12.602 -12.431 -17.046) 24.575 3.270 ( -17.067 4.698 17.046) 24.575 3.791 ( 5.212 -1.482 -22.703) 23.340 3.791 ( -3.889 3.773 22.703) 23.340 5.020 ( -7.251 7.865 -12.232) 16.250 5.020 ( 10.437 -2.348 12.232) 16.250 5.407 ( 4.453 -1.521 -5.942) 7.580 5.407 ( -3.544 3.096 5.942) 7.580 7.175 ( 23.845 8.288 -19.841) 32.108 7.175 ( -4.745 24.794 19.841) 32.108 8.588 ( -0.502 0.386 -6.245) 6.277 8.588 ( 0.585 -0.241 6.245) 6.277 8.905 ( -0.392 -2.111 -4.507) 4.992 8.905 ( -1.632 -1.395 4.507) 4.992 9.896 ( -21.037 -14.583 -10.484) 27.661 9.896 ( -2.111 -25.510 10.484) 27.661 20.358 ( -1.748 -1.766 -1.877) 3.114 20.358 ( -0.655 -2.397 1.877) 3.114 20.458 ( 0.629 -0.507 -1.062) 1.335 20.458 ( -0.754 0.291 1.062) 1.335 24.818 ( -1.091 -1.912 -0.307) 2.223 24.818 ( -1.110 -1.901 0.307) 2.223 32.212 ( 0.990 0.513 -0.938) 1.457 32.212 ( -0.051 1.114 0.938) 1.457 42.691 ( -7.347 11.983 -1.235) 14.110 42.691 ( 14.051 -0.371 1.235) 14.110 44.052 ( -7.863 27.332 -11.549) 30.696 44.052 ( 27.602 6.856 11.549) 30.696 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 1.730 -6.142) 6.381 2.797 ( 0.000 -22.708 -20.903) 30.864 3.259 ( -0.000 23.023 4.574) 23.473 3.676 ( 0.000 -7.270 -13.876) 15.665 3.709 ( -0.000 -18.314 10.904) 21.314 4.208 ( -0.000 22.644 12.180) 25.712 4.571 ( -0.000 0.468 25.145) 25.150 4.972 ( -0.000 1.124 2.005) 2.298 5.533 ( -0.000 11.213 3.070) 11.626 5.590 ( 0.000 0.737 -15.126) 15.144 6.656 ( 0.000 9.668 -20.642) 22.794 7.226 ( -0.000 32.953 23.666) 40.571 8.552 ( 0.000 -4.846 -0.422) 4.865 8.572 ( 0.000 -0.531 -6.675) 6.696 8.917 ( -0.000 5.168 9.313) 10.651 8.922 ( -0.000 -0.649 0.541) 0.845 9.909 ( -0.000 -31.509 3.782) 31.735 10.335 ( 0.000 -19.916 -17.995) 26.842 20.340 ( -0.000 -3.326 0.568) 3.374 20.390 ( -0.000 -2.630 1.238) 2.907 20.450 ( 0.000 -0.785 -0.978) 1.254 20.502 ( 0.000 1.734 -0.117) 1.738 24.840 ( 0.000 -2.762 -0.098) 2.764 24.840 ( -0.000 -2.759 0.226) 2.769 32.189 ( 0.000 -0.055 -0.784) 0.786 32.220 ( -0.000 0.754 0.456) 0.881 42.416 ( -0.000 4.056 5.043) 6.472 43.153 ( 0.000 10.530 -7.122) 12.712 43.200 ( -0.000 12.828 16.611) 20.987 44.206 ( 0.000 32.181 -11.945) 34.327 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -0.000 0.000 27.535) 27.535 2.447 ( -0.000 0.000 27.535) 27.535 3.135 ( 0.000 -0.000 -17.321) 17.321 3.135 ( 0.000 -0.000 -17.321) 17.321 3.796 ( -0.000 0.000 37.585) 37.585 4.621 ( 0.000 -0.000 -19.530) 19.530 4.987 ( -0.000 0.000 29.552) 29.552 5.063 ( -0.000 0.000 19.703) 19.703 5.063 ( -0.000 0.000 19.703) 19.703 5.698 ( 0.000 -0.000 -21.031) 21.031 5.698 ( 0.000 -0.000 -21.031) 21.031 6.070 ( 0.000 -0.000 -40.803) 40.803 8.555 ( -0.000 0.000 3.013) 3.013 8.555 ( -0.000 0.000 3.013) 3.013 8.629 ( 0.000 -0.000 -1.807) 1.807 8.629 ( 0.000 -0.000 -1.807) 1.807 10.952 ( -0.000 0.000 19.693) 19.693 11.473 ( 0.000 -0.000 -15.253) 15.253 20.473 ( -0.000 0.000 0.204) 0.204 20.473 ( -0.000 0.000 0.204) 0.204 20.479 ( 0.000 -0.000 -0.174) 0.174 20.479 ( 0.000 -0.000 -0.174) 0.174 24.959 ( -0.000 0.000 2.772) 2.772 25.042 ( 0.000 -0.000 -2.638) 2.638 32.238 ( -0.000 0.000 0.135) 0.135 32.242 ( 0.000 -0.000 -0.122) 0.122 42.388 ( -0.000 0.000 8.382) 8.382 42.388 ( -0.000 0.000 8.382) 8.382 42.646 ( 0.000 -0.000 -8.537) 8.537 42.646 ( 0.000 -0.000 -8.537) 8.537 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -9.921 -5.728 26.013) 28.424 2.816 ( -4.175 -2.410 -20.825) 21.376 2.857 ( 6.107 3.526 28.118) 28.988 3.400 ( 18.233 10.527 -16.587) 26.803 4.002 ( -0.569 -0.329 27.594) 27.602 4.470 ( -5.400 -3.118 -19.585) 20.554 4.683 ( -12.181 -7.033 23.089) 27.036 5.155 ( -10.991 -6.346 1.767) 12.814 5.376 ( -1.961 -1.132 -10.446) 10.688 5.492 ( -1.059 -0.611 -9.177) 9.258 5.658 ( 20.827 12.024 16.444) 29.133 6.321 ( 25.122 14.504 -31.735) 42.995 8.557 ( -0.616 -0.356 3.767) 3.834 8.598 ( 0.296 0.171 2.787) 2.808 8.672 ( 6.138 3.544 -0.455) 7.103 8.705 ( 6.610 3.816 -4.086) 8.658 10.903 ( -12.152 -7.016 18.236) 23.010 11.196 ( -17.995 -10.389 -13.977) 25.042 20.456 ( -1.391 -0.803 -0.109) 1.610 20.465 ( -0.401 -0.231 0.031) 0.464 20.470 ( -0.455 -0.263 0.907) 1.048 20.479 ( -0.627 -0.362 -0.928) 1.177 24.949 ( -1.997 -1.153 2.187) 3.178 24.988 ( -3.238 -1.870 -1.664) 4.093 32.226 ( -1.076 -0.621 0.082) 1.245 32.229 ( -0.816 -0.471 -0.052) 0.944 42.477 ( -3.081 -1.779 -7.793) 8.567 42.560 ( 15.347 8.861 -0.721) 17.736 42.620 ( 9.817 5.668 8.842) 14.377 42.928 ( 21.292 12.293 -4.257) 24.952 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -7.024 -4.055 13.046) 15.361 2.858 ( 15.242 8.800 -11.199) 20.861 2.979 ( -7.757 -4.479 29.628) 30.953 3.737 ( 13.663 7.888 -15.937) 22.425 3.919 ( -7.316 -4.224 19.369) 21.131 4.152 ( -15.415 -8.900 -15.149) 23.373 4.781 ( -8.500 -4.908 -24.762) 26.636 4.822 ( 9.580 5.531 12.547) 16.728 5.422 ( 2.710 1.564 -13.069) 13.439 5.488 ( 2.850 1.645 13.630) 14.022 6.231 ( 18.542 10.705 24.201) 32.313 6.743 ( 26.487 15.292 -28.332) 41.691 8.562 ( -0.867 -0.501 4.971) 5.070 8.599 ( -1.049 -0.606 1.581) 1.992 8.834 ( 6.735 3.889 -7.109) 10.537 8.843 ( 6.941 4.007 1.177) 8.100 10.593 ( -29.087 -16.793 -9.463) 34.894 10.643 ( -17.819 -10.288 17.433) 26.968 20.406 ( -2.639 -1.524 -0.687) 3.124 20.444 ( -1.842 -1.063 -1.449) 2.573 20.461 ( -0.780 -0.450 1.200) 1.501 20.473 ( 0.880 0.508 0.368) 1.081 24.899 ( -2.885 -1.666 0.822) 3.431 24.905 ( -3.419 -1.974 -0.407) 3.969 32.200 ( -1.080 -0.624 0.235) 1.269 32.216 ( -0.200 -0.116 -0.181) 0.293 42.402 ( 0.261 0.151 -7.108) 7.114 42.893 ( 10.512 6.069 8.275) 14.691 42.938 ( 18.283 10.556 -11.265) 23.929 43.511 ( 29.393 16.970 4.987) 34.305 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -0.000 -10.858 22.774) 25.230 2.697 ( 0.000 -5.670 -19.604) 20.408 3.083 ( -0.000 20.023 20.642) 28.758 3.249 ( 0.000 13.124 -19.332) 23.366 4.126 ( -0.000 -2.279 27.118) 27.213 4.365 ( 0.000 -6.438 -21.386) 22.334 4.833 ( -0.000 -21.464 27.296) 34.724 5.041 ( 0.000 -18.256 -21.681) 28.343 5.231 ( -0.000 0.165 15.326) 15.327 5.590 ( 0.000 5.108 -20.952) 21.566 5.864 ( -0.000 29.989 28.756) 41.548 6.074 ( 0.000 23.501 -31.529) 39.324 8.593 ( -0.000 0.527 2.683) 2.734 8.610 ( 0.000 0.241 -3.188) 3.197 8.639 ( -0.000 5.365 4.574) 7.050 8.696 ( 0.000 8.120 -2.899) 8.621 10.968 ( -0.000 -17.826 16.639) 24.384 11.159 ( 0.000 -14.675 -16.070) 21.762 20.450 ( -0.000 -2.085 0.536) 2.153 20.465 ( -0.000 -1.287 0.973) 1.614 20.471 ( 0.000 -0.077 -0.556) 0.561 20.483 ( 0.000 -0.100 -0.843) 0.848 24.960 ( -0.000 -2.618 2.119) 3.368 24.980 ( 0.000 -3.317 -1.855) 3.800 32.227 ( 0.000 -1.246 -0.072) 1.248 32.229 ( -0.000 -0.909 0.062) 0.911 42.360 ( -0.000 -3.553 7.664) 8.448 42.586 ( 0.000 9.664 -3.671) 10.338 42.749 ( 0.000 11.111 -8.322) 13.882 42.874 ( -0.000 31.432 2.645) 31.544 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 3.533 -0.797 -22.602) 22.890 2.507 ( -2.457 2.661 22.602) 22.890 3.356 ( 18.456 0.532 -24.314) 30.530 3.356 ( -8.767 16.249 24.314) 30.530 4.116 ( -5.475 -14.573 -19.700) 25.108 4.116 ( -9.883 -12.028 19.700) 25.108 4.795 ( -6.028 2.367 -21.324) 22.285 4.795 ( 5.064 -4.037 21.324) 22.285 5.428 ( -5.672 4.804 -20.013) 21.349 5.428 ( 6.996 -2.510 20.013) 21.349 6.355 ( 20.748 19.213 -29.289) 40.712 6.355 ( 6.265 27.575 29.289) 40.712 8.598 ( 0.532 -0.418 -4.350) 4.403 8.598 ( -0.628 0.252 4.350) 4.403 8.784 ( 2.508 7.764 -4.951) 9.543 8.784 ( 5.470 6.054 4.951) 9.543 10.767 ( -17.334 -18.402 -14.490) 29.138 10.767 ( -7.269 -24.212 14.490) 29.138 20.434 ( -0.657 -1.878 -0.094) 1.992 20.434 ( -1.298 -1.508 0.094) 1.992 20.470 ( -0.231 -0.465 -0.547) 0.754 20.470 ( -0.288 -0.433 0.547) 0.754 24.922 ( -1.848 -3.180 -0.970) 3.803 24.922 ( -1.829 -3.191 0.970) 3.803 32.213 ( -0.118 -1.011 -0.150) 1.029 32.213 ( -0.816 -0.608 0.150) 1.029 42.499 ( -10.251 10.588 -4.861) 15.518 42.499 ( 14.295 -3.584 4.861) 15.518 43.194 ( 1.769 31.993 -2.110) 32.111 43.194 ( 26.822 17.528 2.110) 32.111 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.000 -0.000 -23.466) 23.466 2.828 ( 0.000 -0.000 -23.466) 23.466 2.828 ( -0.000 0.000 23.466) 23.466 2.828 ( -0.000 0.000 23.466) 23.466 4.277 ( 0.000 -0.000 -27.302) 27.302 4.277 ( -0.000 0.000 27.302) 27.302 5.376 ( 0.000 -0.000 -21.819) 21.819 5.376 ( 0.000 -0.000 -21.819) 21.819 5.376 ( -0.000 0.000 21.819) 21.819 5.376 ( -0.000 0.000 21.819) 21.819 5.486 ( 0.000 -0.000 -37.082) 37.082 5.486 ( -0.000 0.000 37.082) 37.082 8.597 ( 0.000 -0.000 -2.530) 2.530 8.597 ( 0.000 -0.000 -2.530) 2.530 8.597 ( -0.000 0.000 2.530) 2.530 8.597 ( -0.000 0.000 2.530) 2.530 11.229 ( 0.000 -0.000 -17.564) 17.564 11.229 ( -0.000 0.000 17.564) 17.564 20.476 ( 0.000 -0.000 -0.200) 0.200 20.476 ( -0.000 0.000 0.200) 0.200 20.476 ( 0.000 -0.000 -0.200) 0.200 20.476 ( -0.000 0.000 0.200) 0.200 25.001 ( 0.000 -0.000 -2.808) 2.808 25.001 ( -0.000 0.000 2.808) 2.808 32.240 ( 0.000 -0.000 -0.118) 0.118 32.240 ( -0.000 0.000 0.118) 0.118 42.516 ( 0.000 -0.000 -8.763) 8.763 42.516 ( 0.000 -0.000 -8.763) 8.763 42.516 ( -0.000 0.000 8.763) 8.763 42.516 ( -0.000 0.000 8.763) 8.763 =================== 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 3/51840 10.0 839.299 839.299 1826.509 0.000 -0.000 -0.000 3/51840 20.0 147.772 147.772 253.540 0.000 -0.000 -0.000 3/51840 30.0 61.243 61.243 90.981 0.000 -0.000 -0.000 3/51840 40.0 36.939 36.939 51.233 0.000 -0.000 -0.000 3/51840 50.0 26.062 26.062 34.661 0.000 -0.000 -0.000 3/51840 60.0 20.012 20.012 25.867 0.000 -0.000 -0.000 3/51840 70.0 16.216 16.216 20.540 0.000 -0.000 -0.000 3/51840 80.0 13.645 13.645 17.022 0.000 -0.000 -0.000 3/51840 90.0 11.803 11.803 14.549 0.000 -0.000 -0.000 3/51840 100.0 10.424 10.424 12.725 0.000 -0.000 -0.000 3/51840 110.0 9.355 9.355 11.326 0.000 -0.000 -0.000 3/51840 120.0 8.500 8.500 10.218 0.000 -0.000 -0.000 3/51840 130.0 7.801 7.801 9.319 0.000 -0.000 -0.000 3/51840 140.0 7.216 7.216 8.574 0.000 -0.000 -0.000 3/51840 150.0 6.719 6.719 7.945 0.000 -0.000 -0.000 3/51840 160.0 6.290 6.290 7.407 0.000 -0.000 -0.000 3/51840 170.0 5.916 5.916 6.941 0.000 -0.000 -0.000 3/51840 180.0 5.587 5.587 6.533 0.000 -0.000 -0.000 3/51840 190.0 5.295 5.295 6.172 0.000 -0.000 -0.000 3/51840 200.0 5.034 5.034 5.852 0.000 -0.000 -0.000 3/51840 210.0 4.800 4.800 5.566 0.000 -0.000 -0.000 3/51840 220.0 4.588 4.588 5.308 0.000 -0.000 -0.000 3/51840 230.0 4.397 4.397 5.076 0.000 -0.000 -0.000 3/51840 240.0 4.223 4.223 4.865 0.000 -0.000 -0.000 3/51840 250.0 4.064 4.064 4.674 0.000 -0.000 -0.000 3/51840 260.0 3.919 3.919 4.500 0.000 -0.000 -0.000 3/51840 270.0 3.786 3.786 4.340 0.000 -0.000 -0.000 3/51840 280.0 3.665 3.665 4.194 0.000 -0.000 -0.000 3/51840 290.0 3.553 3.553 4.061 0.000 -0.000 -0.000 3/51840 300.0 3.450 3.450 3.938 0.000 -0.000 -0.000 3/51840 310.0 3.355 3.355 3.825 0.000 -0.000 -0.000 3/51840 320.0 3.268 3.268 3.720 0.000 -0.000 -0.000 3/51840 330.0 3.188 3.188 3.624 0.000 -0.000 -0.000 3/51840 340.0 3.113 3.113 3.535 0.000 -0.000 -0.000 3/51840 350.0 3.044 3.044 3.452 0.000 -0.000 -0.000 3/51840 360.0 2.980 2.980 3.376 0.000 -0.000 -0.000 3/51840 370.0 2.920 2.920 3.305 0.000 -0.000 -0.000 3/51840 380.0 2.865 2.865 3.238 0.000 -0.000 -0.000 3/51840 390.0 2.813 2.813 3.176 0.000 -0.000 -0.000 3/51840 400.0 2.765 2.765 3.118 0.000 -0.000 -0.000 3/51840 410.0 2.720 2.720 3.064 0.000 -0.000 -0.000 3/51840 420.0 2.677 2.677 3.013 0.000 -0.000 -0.000 3/51840 430.0 2.638 2.638 2.966 0.000 -0.000 -0.000 3/51840 440.0 2.600 2.600 2.920 0.000 -0.000 -0.000 3/51840 450.0 2.565 2.565 2.878 0.000 -0.000 -0.000 3/51840 460.0 2.531 2.531 2.838 0.000 -0.000 -0.000 3/51840 470.0 2.500 2.500 2.799 0.000 -0.000 -0.000 3/51840 480.0 2.470 2.470 2.763 0.000 -0.000 -0.000 3/51840 490.0 2.441 2.441 2.729 0.000 -0.000 -0.000 3/51840 500.0 2.414 2.414 2.696 0.000 -0.000 -0.000 3/51840 510.0 2.388 2.388 2.664 0.000 -0.000 -0.000 3/51840 520.0 2.363 2.363 2.634 0.000 -0.000 -0.000 3/51840 530.0 2.339 2.339 2.605 0.000 -0.000 -0.000 3/51840 540.0 2.316 2.316 2.577 0.000 -0.000 -0.000 3/51840 550.0 2.294 2.294 2.551 0.000 -0.000 -0.000 3/51840 560.0 2.273 2.273 2.525 0.000 -0.000 -0.000 3/51840 570.0 2.253 2.253 2.500 0.000 -0.000 -0.000 3/51840 580.0 2.233 2.233 2.476 0.000 -0.000 -0.000 3/51840 590.0 2.213 2.213 2.453 0.000 -0.000 -0.000 3/51840 600.0 2.195 2.195 2.430 0.000 -0.000 -0.000 3/51840 610.0 2.177 2.177 2.408 0.000 -0.000 -0.000 3/51840 620.0 2.159 2.159 2.387 0.000 -0.000 -0.000 3/51840 630.0 2.142 2.142 2.366 0.000 -0.000 -0.000 3/51840 640.0 2.125 2.125 2.345 0.000 -0.000 -0.000 3/51840 650.0 2.109 2.109 2.326 0.000 -0.000 -0.000 3/51840 660.0 2.093 2.093 2.306 0.000 -0.000 -0.000 3/51840 670.0 2.077 2.077 2.287 0.000 -0.000 -0.000 3/51840 680.0 2.061 2.061 2.269 0.000 -0.000 -0.000 3/51840 690.0 2.046 2.046 2.251 0.000 -0.000 -0.000 3/51840 700.0 2.032 2.032 2.233 0.000 -0.000 -0.000 3/51840 710.0 2.017 2.017 2.216 0.000 -0.000 -0.000 3/51840 720.0 2.003 2.003 2.198 0.000 -0.000 -0.000 3/51840 730.0 1.989 1.989 2.182 0.000 -0.000 -0.000 3/51840 740.0 1.975 1.975 2.165 0.000 -0.000 -0.000 3/51840 750.0 1.961 1.961 2.149 0.000 -0.000 -0.000 3/51840 760.0 1.948 1.948 2.133 0.000 -0.000 -0.000 3/51840 770.0 1.935 1.935 2.117 0.000 -0.000 -0.000 3/51840 780.0 1.922 1.922 2.102 0.000 -0.000 -0.000 3/51840 790.0 1.909 1.909 2.087 0.000 -0.000 -0.000 3/51840 800.0 1.896 1.896 2.072 0.000 -0.000 -0.000 3/51840 810.0 1.884 1.884 2.057 0.000 -0.000 -0.000 3/51840 820.0 1.872 1.872 2.042 0.000 -0.000 -0.000 3/51840 830.0 1.860 1.860 2.028 0.000 -0.000 -0.000 3/51840 840.0 1.848 1.848 2.014 0.000 -0.000 -0.000 3/51840 850.0 1.836 1.836 2.000 0.000 -0.000 -0.000 3/51840 860.0 1.824 1.824 1.986 0.000 -0.000 -0.000 3/51840 870.0 1.812 1.812 1.973 0.000 -0.000 -0.000 3/51840 880.0 1.801 1.801 1.959 0.000 -0.000 -0.000 3/51840 890.0 1.790 1.790 1.946 0.000 -0.000 -0.000 3/51840 900.0 1.779 1.779 1.933 0.000 -0.000 -0.000 3/51840 910.0 1.768 1.768 1.920 0.000 -0.000 -0.000 3/51840 920.0 1.757 1.757 1.907 0.000 -0.000 -0.000 3/51840 930.0 1.746 1.746 1.895 0.000 -0.000 -0.000 3/51840 940.0 1.735 1.735 1.882 0.000 -0.000 -0.000 3/51840 950.0 1.725 1.725 1.870 0.000 -0.000 -0.000 3/51840 960.0 1.714 1.714 1.858 0.000 -0.000 -0.000 3/51840 970.0 1.704 1.704 1.846 0.000 -0.000 -0.000 3/51840 980.0 1.694 1.694 1.834 0.000 -0.000 -0.000 3/51840 990.0 1.683 1.683 1.822 0.000 -0.000 -0.000 3/51840 1000.0 1.673 1.673 1.811 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:56:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|