----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:59:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.769940795000000 2.769940795000000 3.361868140000000 b 2.769940795000000 -2.769940795000000 3.361868140000000 c 2.769940795000000 2.769940795000000 -3.361868140000000 Atomic positions (fractional): *1 Be 0.62573324664380 0.87426675335620 0.50000000000000 9.012 2 Be 0.87426675335620 0.37426675335620 0.24853350671239 9.012 3 Be 0.37426675335620 0.12573324664380 0.50000000000000 9.012 4 Be 0.12573324664380 0.62573324664380 0.75146649328761 9.012 *5 N 0.33023135202697 0.83023135202697 0.16046270405393 14.007 6 N 0.16976864797303 0.33023135202697 0.50000000000000 14.007 7 N 0.83023135202697 0.66976864797303 0.50000000000000 14.007 8 N 0.66976864797303 0.16976864797303 0.83953729594607 14.007 *9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.539881590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.539881590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.723736280000000 Atomic positions (fractional): *1 Be 0.37426675335620 0.12573324664380 0.50000000000000 9.012 > 1 2 Be 0.87426675335620 0.37426675335620 0.50000000000000 9.012 > 2 3 Be 0.12573324664380 0.37426675335620 0.00000000000000 9.012 > 3 4 Be 0.62573324664380 0.12573324664380 0.00000000000000 9.012 > 4 5 Be 0.87426675335620 0.62573324664380 0.00000000000000 9.012 > 1 6 Be 0.37426675335620 0.87426675335620 0.00000000000000 9.012 > 2 7 Be 0.62573324664380 0.87426675335620 0.50000000000000 9.012 > 3 8 Be 0.12573324664380 0.62573324664380 0.50000000000000 9.012 > 4 *9 N 0.33023135202697 0.83023135202697 0.50000000000000 14.007 > 5 10 N 0.33023135202697 0.16976864797303 0.00000000000000 14.007 > 6 11 N 0.16976864797303 0.33023135202697 0.50000000000000 14.007 > 7 12 N 0.16976864797303 0.66976864797303 0.00000000000000 14.007 > 8 13 N 0.83023135202697 0.33023135202697 0.00000000000000 14.007 > 5 14 N 0.83023135202697 0.66976864797303 0.50000000000000 14.007 > 6 15 N 0.66976864797303 0.83023135202697 0.00000000000000 14.007 > 7 16 N 0.66976864797303 0.16976864797303 0.50000000000000 14.007 > 8 *17 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 9 18 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 10 19 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 9 20 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.079763180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079763180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.723736280000000 Atomic positions (fractional): *1 Be 0.18713337667810 0.06286662332190 0.50000000000000 9.012 > 1 2 Be 0.68713337667810 0.06286662332190 0.50000000000000 9.012 > 1 3 Be 0.18713337667810 0.56286662332190 0.50000000000000 9.012 > 1 4 Be 0.68713337667810 0.56286662332190 0.50000000000000 9.012 > 1 5 Be 0.43713337667810 0.18713337667810 0.50000000000000 9.012 > 2 6 Be 0.93713337667810 0.18713337667810 0.50000000000000 9.012 > 2 7 Be 0.43713337667810 0.68713337667810 0.50000000000000 9.012 > 2 8 Be 0.93713337667810 0.68713337667810 0.50000000000000 9.012 > 2 9 Be 0.06286662332190 0.18713337667810 0.00000000000000 9.012 > 3 10 Be 0.56286662332190 0.18713337667810 0.00000000000000 9.012 > 3 11 Be 0.06286662332190 0.68713337667810 0.00000000000000 9.012 > 3 12 Be 0.56286662332190 0.68713337667810 0.00000000000000 9.012 > 3 13 Be 0.31286662332190 0.06286662332190 0.00000000000000 9.012 > 4 14 Be 0.81286662332190 0.06286662332190 0.00000000000000 9.012 > 4 15 Be 0.31286662332190 0.56286662332190 0.00000000000000 9.012 > 4 16 Be 0.81286662332190 0.56286662332190 0.00000000000000 9.012 > 4 17 Be 0.43713337667810 0.31286662332190 0.00000000000000 9.012 > 1 18 Be 0.93713337667810 0.31286662332190 0.00000000000000 9.012 > 1 19 Be 0.43713337667810 0.81286662332190 0.00000000000000 9.012 > 1 20 Be 0.93713337667810 0.81286662332190 0.00000000000000 9.012 > 1 21 Be 0.18713337667810 0.43713337667810 0.00000000000000 9.012 > 2 22 Be 0.68713337667810 0.43713337667810 0.00000000000000 9.012 > 2 23 Be 0.18713337667810 0.93713337667810 0.00000000000000 9.012 > 2 24 Be 0.68713337667810 0.93713337667810 0.00000000000000 9.012 > 2 25 Be 0.31286662332190 0.43713337667810 0.50000000000000 9.012 > 3 26 Be 0.81286662332190 0.43713337667810 0.50000000000000 9.012 > 3 27 Be 0.31286662332190 0.93713337667810 0.50000000000000 9.012 > 3 28 Be 0.81286662332190 0.93713337667810 0.50000000000000 9.012 > 3 29 Be 0.06286662332190 0.31286662332190 0.50000000000000 9.012 > 4 30 Be 0.56286662332190 0.31286662332190 0.50000000000000 9.012 > 4 31 Be 0.06286662332190 0.81286662332190 0.50000000000000 9.012 > 4 32 Be 0.56286662332190 0.81286662332190 0.50000000000000 9.012 > 4 *33 N 0.16511567601348 0.41511567601348 0.50000000000000 14.007 > 5 34 N 0.66511567601348 0.41511567601348 0.50000000000000 14.007 > 5 35 N 0.16511567601348 0.91511567601348 0.50000000000000 14.007 > 5 36 N 0.66511567601348 0.91511567601348 0.50000000000000 14.007 > 5 37 N 0.16511567601348 0.08488432398652 0.00000000000000 14.007 > 6 38 N 0.66511567601348 0.08488432398652 0.00000000000000 14.007 > 6 39 N 0.16511567601348 0.58488432398652 0.00000000000000 14.007 > 6 40 N 0.66511567601348 0.58488432398652 0.00000000000000 14.007 > 6 41 N 0.08488432398652 0.16511567601348 0.50000000000000 14.007 > 7 42 N 0.58488432398652 0.16511567601348 0.50000000000000 14.007 > 7 43 N 0.08488432398652 0.66511567601348 0.50000000000000 14.007 > 7 44 N 0.58488432398652 0.66511567601348 0.50000000000000 14.007 > 7 45 N 0.08488432398652 0.33488432398652 0.00000000000000 14.007 > 8 46 N 0.58488432398652 0.33488432398652 0.00000000000000 14.007 > 8 47 N 0.08488432398652 0.83488432398652 0.00000000000000 14.007 > 8 48 N 0.58488432398652 0.83488432398652 0.00000000000000 14.007 > 8 49 N 0.41511567601348 0.16511567601348 0.00000000000000 14.007 > 5 50 N 0.91511567601348 0.16511567601348 0.00000000000000 14.007 > 5 51 N 0.41511567601348 0.66511567601348 0.00000000000000 14.007 > 5 52 N 0.91511567601348 0.66511567601348 0.00000000000000 14.007 > 5 53 N 0.41511567601348 0.33488432398652 0.50000000000000 14.007 > 6 54 N 0.91511567601348 0.33488432398652 0.50000000000000 14.007 > 6 55 N 0.41511567601348 0.83488432398652 0.50000000000000 14.007 > 6 56 N 0.91511567601348 0.83488432398652 0.50000000000000 14.007 > 6 57 N 0.33488432398652 0.41511567601348 0.00000000000000 14.007 > 7 58 N 0.83488432398652 0.41511567601348 0.00000000000000 14.007 > 7 59 N 0.33488432398652 0.91511567601348 0.00000000000000 14.007 > 7 60 N 0.83488432398652 0.91511567601348 0.00000000000000 14.007 > 7 61 N 0.33488432398652 0.08488432398652 0.50000000000000 14.007 > 8 62 N 0.83488432398652 0.08488432398652 0.50000000000000 14.007 > 8 63 N 0.33488432398652 0.58488432398652 0.50000000000000 14.007 > 8 64 N 0.83488432398652 0.58488432398652 0.50000000000000 14.007 > 8 *65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 9 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 9 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 9 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 9 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 10 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 10 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 10 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 10 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 9 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 9 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 9 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 9 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 10 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 10 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 10 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2387463 0.0000000 0.0000000 0.0000000 5.2387463 0.0000000 0.0000000 0.0000000 5.5078310 -------------------------- Born effective charges -------------------------- 1 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 2 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 3 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 4 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 5 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 6 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 7 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 8 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 9 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 10 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 304 Number of blocks in projector: 304 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: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (304, 296), data: False |-- (34, 34), data: True |-- (70, 67), data: True |-- (90, 88), data: True |-- (110, 107), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 80 / 80 - Time: 0.165 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.203 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 304 Number of blocks in projector: 304 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: 110 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 70 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 34 Use standard eigh solver. Tree of FC basis block matrices: - (304, 296), data: False |-- (34, 34), data: True |-- (70, 67), data: True |-- (90, 88), data: True |-- (110, 107), 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 23:59:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:59:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.769940795000000 2.769940795000000 3.361868140000000 b 2.769940795000000 -2.769940795000000 3.361868140000000 c 2.769940795000000 2.769940795000000 -3.361868140000000 Atomic positions (fractional): 1 Be 0.62573324664380 0.87426675335620 0.50000000000000 9.012 2 Be 0.87426675335620 0.37426675335620 0.24853350671239 9.012 3 Be 0.37426675335620 0.12573324664380 0.50000000000000 9.012 4 Be 0.12573324664380 0.62573324664380 0.75146649328761 9.012 5 N 0.33023135202697 0.83023135202697 0.16046270405393 14.007 6 N 0.16976864797303 0.33023135202697 0.50000000000000 14.007 7 N 0.83023135202697 0.66976864797303 0.50000000000000 14.007 8 N 0.66976864797303 0.16976864797303 0.83953729594607 14.007 9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.079763180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079763180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.723736280000000 Atomic positions (fractional): 1 Be 0.18713337667810 0.06286662332190 0.50000000000000 9.012 > 1 2 Be 0.68713337667810 0.06286662332190 0.50000000000000 9.012 > 1 3 Be 0.18713337667810 0.56286662332190 0.50000000000000 9.012 > 1 4 Be 0.68713337667810 0.56286662332190 0.50000000000000 9.012 > 1 5 Be 0.43713337667810 0.18713337667810 0.50000000000000 9.012 > 5 6 Be 0.93713337667810 0.18713337667810 0.50000000000000 9.012 > 5 7 Be 0.43713337667810 0.68713337667810 0.50000000000000 9.012 > 5 8 Be 0.93713337667810 0.68713337667810 0.50000000000000 9.012 > 5 9 Be 0.06286662332190 0.18713337667810 0.00000000000000 9.012 > 9 10 Be 0.56286662332190 0.18713337667810 0.00000000000000 9.012 > 9 11 Be 0.06286662332190 0.68713337667810 0.00000000000000 9.012 > 9 12 Be 0.56286662332190 0.68713337667810 0.00000000000000 9.012 > 9 13 Be 0.31286662332190 0.06286662332190 0.00000000000000 9.012 > 13 14 Be 0.81286662332190 0.06286662332190 0.00000000000000 9.012 > 13 15 Be 0.31286662332190 0.56286662332190 0.00000000000000 9.012 > 13 16 Be 0.81286662332190 0.56286662332190 0.00000000000000 9.012 > 13 17 Be 0.43713337667810 0.31286662332190 0.00000000000000 9.012 > 1 18 Be 0.93713337667810 0.31286662332190 0.00000000000000 9.012 > 1 19 Be 0.43713337667810 0.81286662332190 0.00000000000000 9.012 > 1 20 Be 0.93713337667810 0.81286662332190 0.00000000000000 9.012 > 1 21 Be 0.18713337667810 0.43713337667810 0.00000000000000 9.012 > 5 22 Be 0.68713337667810 0.43713337667810 0.00000000000000 9.012 > 5 23 Be 0.18713337667810 0.93713337667810 0.00000000000000 9.012 > 5 24 Be 0.68713337667810 0.93713337667810 0.00000000000000 9.012 > 5 25 Be 0.31286662332190 0.43713337667810 0.50000000000000 9.012 > 9 26 Be 0.81286662332190 0.43713337667810 0.50000000000000 9.012 > 9 27 Be 0.31286662332190 0.93713337667810 0.50000000000000 9.012 > 9 28 Be 0.81286662332190 0.93713337667810 0.50000000000000 9.012 > 9 29 Be 0.06286662332190 0.31286662332190 0.50000000000000 9.012 > 13 30 Be 0.56286662332190 0.31286662332190 0.50000000000000 9.012 > 13 31 Be 0.06286662332190 0.81286662332190 0.50000000000000 9.012 > 13 32 Be 0.56286662332190 0.81286662332190 0.50000000000000 9.012 > 13 33 N 0.16511567601348 0.41511567601348 0.50000000000000 14.007 > 33 34 N 0.66511567601348 0.41511567601348 0.50000000000000 14.007 > 33 35 N 0.16511567601348 0.91511567601348 0.50000000000000 14.007 > 33 36 N 0.66511567601348 0.91511567601348 0.50000000000000 14.007 > 33 37 N 0.16511567601348 0.08488432398652 0.00000000000000 14.007 > 37 38 N 0.66511567601348 0.08488432398652 0.00000000000000 14.007 > 37 39 N 0.16511567601348 0.58488432398652 0.00000000000000 14.007 > 37 40 N 0.66511567601348 0.58488432398652 0.00000000000000 14.007 > 37 41 N 0.08488432398652 0.16511567601348 0.50000000000000 14.007 > 41 42 N 0.58488432398652 0.16511567601348 0.50000000000000 14.007 > 41 43 N 0.08488432398652 0.66511567601348 0.50000000000000 14.007 > 41 44 N 0.58488432398652 0.66511567601348 0.50000000000000 14.007 > 41 45 N 0.08488432398652 0.33488432398652 0.00000000000000 14.007 > 45 46 N 0.58488432398652 0.33488432398652 0.00000000000000 14.007 > 45 47 N 0.08488432398652 0.83488432398652 0.00000000000000 14.007 > 45 48 N 0.58488432398652 0.83488432398652 0.00000000000000 14.007 > 45 49 N 0.41511567601348 0.16511567601348 0.00000000000000 14.007 > 33 50 N 0.91511567601348 0.16511567601348 0.00000000000000 14.007 > 33 51 N 0.41511567601348 0.66511567601348 0.00000000000000 14.007 > 33 52 N 0.91511567601348 0.66511567601348 0.00000000000000 14.007 > 33 53 N 0.41511567601348 0.33488432398652 0.50000000000000 14.007 > 37 54 N 0.91511567601348 0.33488432398652 0.50000000000000 14.007 > 37 55 N 0.41511567601348 0.83488432398652 0.50000000000000 14.007 > 37 56 N 0.91511567601348 0.83488432398652 0.50000000000000 14.007 > 37 57 N 0.33488432398652 0.41511567601348 0.00000000000000 14.007 > 41 58 N 0.83488432398652 0.41511567601348 0.00000000000000 14.007 > 41 59 N 0.33488432398652 0.91511567601348 0.00000000000000 14.007 > 41 60 N 0.83488432398652 0.91511567601348 0.00000000000000 14.007 > 41 61 N 0.33488432398652 0.08488432398652 0.50000000000000 14.007 > 45 62 N 0.83488432398652 0.08488432398652 0.50000000000000 14.007 > 45 63 N 0.33488432398652 0.58488432398652 0.50000000000000 14.007 > 45 64 N 0.83488432398652 0.58488432398652 0.50000000000000 14.007 > 45 65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 65 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 65 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 65 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 69 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 69 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 65 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 65 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 65 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 65 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 69 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 69 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 69 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2387463 0.0000000 0.0000000 0.0000000 5.2387463 0.0000000 0.0000000 0.0000000 5.5078310 -------------------------- Born effective charges -------------------------- 1 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 2 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 3 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 4 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 5 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 6 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 7 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 8 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 9 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 10 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 23:59:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:59:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.769940795000000 2.769940795000000 3.361868140000000 b 2.769940795000000 -2.769940795000000 3.361868140000000 c 2.769940795000000 2.769940795000000 -3.361868140000000 Atomic positions (fractional): 1 Be 0.62573324664380 0.87426675335620 0.50000000000000 9.012 2 Be 0.87426675335620 0.37426675335620 0.24853350671239 9.012 3 Be 0.37426675335620 0.12573324664380 0.50000000000000 9.012 4 Be 0.12573324664380 0.62573324664380 0.75146649328761 9.012 5 N 0.33023135202697 0.83023135202697 0.16046270405393 14.007 6 N 0.16976864797303 0.33023135202697 0.50000000000000 14.007 7 N 0.83023135202697 0.66976864797303 0.50000000000000 14.007 8 N 0.66976864797303 0.16976864797303 0.83953729594607 14.007 9 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 10 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.079763180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.079763180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.723736280000000 Atomic positions (fractional): 1 Be 0.18713337667810 0.06286662332190 0.50000000000000 9.012 > 1 2 Be 0.68713337667810 0.06286662332190 0.50000000000000 9.012 > 1 3 Be 0.18713337667810 0.56286662332190 0.50000000000000 9.012 > 1 4 Be 0.68713337667810 0.56286662332190 0.50000000000000 9.012 > 1 5 Be 0.43713337667810 0.18713337667810 0.50000000000000 9.012 > 5 6 Be 0.93713337667810 0.18713337667810 0.50000000000000 9.012 > 5 7 Be 0.43713337667810 0.68713337667810 0.50000000000000 9.012 > 5 8 Be 0.93713337667810 0.68713337667810 0.50000000000000 9.012 > 5 9 Be 0.06286662332190 0.18713337667810 0.00000000000000 9.012 > 9 10 Be 0.56286662332190 0.18713337667810 0.00000000000000 9.012 > 9 11 Be 0.06286662332190 0.68713337667810 0.00000000000000 9.012 > 9 12 Be 0.56286662332190 0.68713337667810 0.00000000000000 9.012 > 9 13 Be 0.31286662332190 0.06286662332190 0.00000000000000 9.012 > 13 14 Be 0.81286662332190 0.06286662332190 0.00000000000000 9.012 > 13 15 Be 0.31286662332190 0.56286662332190 0.00000000000000 9.012 > 13 16 Be 0.81286662332190 0.56286662332190 0.00000000000000 9.012 > 13 17 Be 0.43713337667810 0.31286662332190 0.00000000000000 9.012 > 1 18 Be 0.93713337667810 0.31286662332190 0.00000000000000 9.012 > 1 19 Be 0.43713337667810 0.81286662332190 0.00000000000000 9.012 > 1 20 Be 0.93713337667810 0.81286662332190 0.00000000000000 9.012 > 1 21 Be 0.18713337667810 0.43713337667810 0.00000000000000 9.012 > 5 22 Be 0.68713337667810 0.43713337667810 0.00000000000000 9.012 > 5 23 Be 0.18713337667810 0.93713337667810 0.00000000000000 9.012 > 5 24 Be 0.68713337667810 0.93713337667810 0.00000000000000 9.012 > 5 25 Be 0.31286662332190 0.43713337667810 0.50000000000000 9.012 > 9 26 Be 0.81286662332190 0.43713337667810 0.50000000000000 9.012 > 9 27 Be 0.31286662332190 0.93713337667810 0.50000000000000 9.012 > 9 28 Be 0.81286662332190 0.93713337667810 0.50000000000000 9.012 > 9 29 Be 0.06286662332190 0.31286662332190 0.50000000000000 9.012 > 13 30 Be 0.56286662332190 0.31286662332190 0.50000000000000 9.012 > 13 31 Be 0.06286662332190 0.81286662332190 0.50000000000000 9.012 > 13 32 Be 0.56286662332190 0.81286662332190 0.50000000000000 9.012 > 13 33 N 0.16511567601348 0.41511567601348 0.50000000000000 14.007 > 33 34 N 0.66511567601348 0.41511567601348 0.50000000000000 14.007 > 33 35 N 0.16511567601348 0.91511567601348 0.50000000000000 14.007 > 33 36 N 0.66511567601348 0.91511567601348 0.50000000000000 14.007 > 33 37 N 0.16511567601348 0.08488432398652 0.00000000000000 14.007 > 37 38 N 0.66511567601348 0.08488432398652 0.00000000000000 14.007 > 37 39 N 0.16511567601348 0.58488432398652 0.00000000000000 14.007 > 37 40 N 0.66511567601348 0.58488432398652 0.00000000000000 14.007 > 37 41 N 0.08488432398652 0.16511567601348 0.50000000000000 14.007 > 41 42 N 0.58488432398652 0.16511567601348 0.50000000000000 14.007 > 41 43 N 0.08488432398652 0.66511567601348 0.50000000000000 14.007 > 41 44 N 0.58488432398652 0.66511567601348 0.50000000000000 14.007 > 41 45 N 0.08488432398652 0.33488432398652 0.00000000000000 14.007 > 45 46 N 0.58488432398652 0.33488432398652 0.00000000000000 14.007 > 45 47 N 0.08488432398652 0.83488432398652 0.00000000000000 14.007 > 45 48 N 0.58488432398652 0.83488432398652 0.00000000000000 14.007 > 45 49 N 0.41511567601348 0.16511567601348 0.00000000000000 14.007 > 33 50 N 0.91511567601348 0.16511567601348 0.00000000000000 14.007 > 33 51 N 0.41511567601348 0.66511567601348 0.00000000000000 14.007 > 33 52 N 0.91511567601348 0.66511567601348 0.00000000000000 14.007 > 33 53 N 0.41511567601348 0.33488432398652 0.50000000000000 14.007 > 37 54 N 0.91511567601348 0.33488432398652 0.50000000000000 14.007 > 37 55 N 0.41511567601348 0.83488432398652 0.50000000000000 14.007 > 37 56 N 0.91511567601348 0.83488432398652 0.50000000000000 14.007 > 37 57 N 0.33488432398652 0.41511567601348 0.00000000000000 14.007 > 41 58 N 0.83488432398652 0.41511567601348 0.00000000000000 14.007 > 41 59 N 0.33488432398652 0.91511567601348 0.00000000000000 14.007 > 41 60 N 0.83488432398652 0.91511567601348 0.00000000000000 14.007 > 41 61 N 0.33488432398652 0.08488432398652 0.50000000000000 14.007 > 45 62 N 0.83488432398652 0.08488432398652 0.50000000000000 14.007 > 45 63 N 0.33488432398652 0.58488432398652 0.50000000000000 14.007 > 45 64 N 0.83488432398652 0.58488432398652 0.50000000000000 14.007 > 45 65 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 65 66 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 65 67 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 65 68 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 65 69 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 69 70 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 69 71 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 69 72 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 69 73 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 65 74 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 65 75 Ca 0.25000000000000 0.75000000000000 0.25000000000000 40.078 > 65 76 Ca 0.75000000000000 0.75000000000000 0.25000000000000 40.078 > 65 77 Ca 0.25000000000000 0.25000000000000 0.75000000000000 40.078 > 69 78 Ca 0.75000000000000 0.25000000000000 0.75000000000000 40.078 > 69 79 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 69 80 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2387463 0.0000000 0.0000000 0.0000000 5.2387463 0.0000000 0.0000000 0.0000000 5.5078310 -------------------------- Born effective charges -------------------------- 1 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 2 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 3 Be 1.9679512 -0.1100161 0.0000000 -0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 4 Be 1.9679512 0.1100161 0.0000000 0.1100161 1.9679512 0.0000000 0.0000000 0.0000000 0.7311263 5 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 6 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 7 N -3.0128070 0.3618745 0.0000000 0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 8 N -3.0128070 -0.3618745 0.0000000 -0.3618745 -3.0128070 0.0000000 0.0000000 0.0000000 -2.0857080 9 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 10 Ca 2.0897116 0.0000000 0.0000000 0.0000000 2.0897116 0.0000000 0.0000000 0.0000000 2.7091632 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) 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 ... Generalized regular grid: [ 1 9 126 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 7 7 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.89, Number of G-points: 305, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 120 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 4.088 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 6.831 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.962 ( 0.000 0.000 0.000) 0.000 15.443 ( 0.000 0.000 0.000) 0.000 15.443 ( 0.000 0.000 0.000) 0.000 17.153 ( 0.000 0.000 0.000) 0.000 17.485 ( 0.000 0.000 0.000) 0.000 17.503 ( 0.000 0.000 0.000) 0.000 18.686 ( 0.000 0.000 0.000) 0.000 18.686 ( 0.000 0.000 0.000) 0.000 19.772 ( 0.000 0.000 0.000) 0.000 21.881 ( 0.000 0.000 0.000) 0.000 22.256 ( 0.000 0.000 0.000) 0.000 25.719 ( 0.000 0.000 0.000) 0.000 25.860 ( 0.000 0.000 0.000) 0.000 25.860 ( 0.000 0.000 0.000) 0.000 29.144 ( 0.000 0.000 0.000) 0.000 29.144 ( 0.000 0.000 0.000) 0.000 32.334 ( 0.000 0.000 0.000) 0.000 33.598 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 28.284 28.284 0.000) 40.000 1.239 ( 36.045 36.045 0.000) 50.975 3.475 ( 78.177 78.177 0.000) 110.559 3.623 ( -17.026 -17.026 0.000) 24.079 4.274 ( 8.670 8.670 0.000) 12.261 5.515 ( -3.122 -3.122 0.000) 4.415 5.663 ( 12.398 12.398 0.000) 17.533 6.352 ( 2.908 2.908 0.000) 4.112 6.937 ( 4.954 4.954 0.000) 7.005 6.954 ( 4.964 4.964 0.000) 7.021 7.401 ( -1.271 -1.271 0.000) 1.798 8.640 ( 31.118 31.118 0.000) 44.007 9.723 ( 18.370 18.370 0.000) 25.979 15.151 ( -12.435 -12.435 0.000) 17.586 15.413 ( -1.420 -1.420 0.000) 2.009 17.115 ( -1.969 -1.969 0.000) 2.784 17.139 ( -17.383 -17.383 0.000) 24.583 17.400 ( -57.138 -57.138 0.000) 80.805 17.712 ( 9.610 9.610 0.000) 13.590 18.561 ( -6.662 -6.662 0.000) 9.421 20.792 ( 22.772 22.772 0.000) 32.204 21.905 ( 1.226 1.226 0.000) 1.733 22.233 ( -1.000 -1.000 0.000) 1.415 24.392 ( -32.393 -32.393 0.000) 45.810 26.013 ( 6.987 6.987 0.000) 9.881 27.449 ( 38.943 38.943 0.000) 55.073 29.170 ( 1.056 1.056 0.000) 1.493 32.116 ( -13.377 -13.377 0.000) 18.919 33.490 ( -2.095 -2.095 0.000) 2.962 34.255 ( 3.555 3.555 0.000) 5.028 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 27.023 27.023 0.000) 38.216 2.809 ( 39.577 39.577 0.000) 55.970 2.986 ( -12.869 -12.869 0.000) 18.200 4.715 ( 12.414 12.414 0.000) 17.556 5.294 ( -5.645 -5.645 0.000) 7.984 5.938 ( 42.661 42.661 0.000) 60.331 6.165 ( 10.192 10.192 0.000) 14.414 6.542 ( 6.194 6.194 0.000) 8.759 7.107 ( 1.166 1.166 0.000) 1.650 7.176 ( 6.105 6.105 0.000) 8.634 7.430 ( 4.619 4.619 0.000) 6.533 10.197 ( 43.669 43.669 0.000) 61.757 10.867 ( 33.614 33.614 0.000) 47.538 14.625 ( -12.064 -12.064 0.000) 17.061 15.102 ( -49.971 -49.971 0.000) 70.670 15.345 ( -1.746 -1.746 0.000) 2.469 16.188 ( -29.009 -29.009 0.000) 41.025 17.002 ( -3.458 -3.458 0.000) 4.890 18.122 ( -15.382 -15.382 0.000) 21.754 18.124 ( 9.894 9.894 0.000) 13.992 21.455 ( 11.398 11.398 0.000) 16.119 21.982 ( 2.628 2.628 0.000) 3.717 22.182 ( -1.516 -1.516 0.000) 2.144 23.245 ( -24.502 -24.502 0.000) 34.651 26.347 ( 8.692 8.692 0.000) 12.292 28.812 ( 26.951 26.951 0.000) 38.114 29.203 ( 0.361 0.361 0.000) 0.511 31.152 ( -33.274 -33.274 0.000) 47.056 33.572 ( 5.335 5.335 0.000) 7.545 34.460 ( 7.053 7.053 0.000) 9.975 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -6.312 -6.312 0.000) 8.926 3.383 ( 24.328 24.328 0.000) 34.405 4.180 ( 26.397 26.397 0.000) 37.331 5.130 ( -1.473 -1.473 0.000) 2.083 5.205 ( 11.239 11.239 0.000) 15.895 6.439 ( 2.851 2.851 0.000) 4.033 6.755 ( 3.510 3.510 0.000) 4.964 6.967 ( -7.860 -7.860 0.000) 11.116 7.058 ( 17.016 17.016 0.000) 24.064 7.369 ( 3.116 3.116 0.000) 4.406 7.954 ( 22.099 22.099 0.000) 31.253 11.065 ( -30.994 -30.994 0.000) 43.832 11.967 ( 42.671 42.671 0.000) 60.347 14.266 ( -5.537 -5.537 0.000) 7.831 14.616 ( 29.411 29.411 0.000) 41.593 14.905 ( -33.397 -33.397 0.000) 47.231 15.287 ( -1.005 -1.005 0.000) 1.421 16.857 ( -3.512 -3.512 0.000) 4.967 17.340 ( -22.958 -22.958 0.000) 32.467 18.460 ( 6.578 6.578 0.000) 9.303 21.797 ( 6.648 6.648 0.000) 9.401 22.104 ( 2.162 2.162 0.000) 3.058 22.115 ( -0.738 -0.738 0.000) 1.044 22.466 ( -13.805 -13.805 0.000) 19.524 26.652 ( 6.079 6.079 0.000) 8.597 29.192 ( -0.808 -0.808 0.000) 1.143 29.271 ( -20.651 -20.651 0.000) 29.204 29.901 ( -9.168 -9.168 0.000) 12.966 33.815 ( 5.837 5.837 0.000) 8.255 34.813 ( 9.692 9.692 0.000) 13.706 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -1.536 -1.536 0.000) 2.173 4.105 ( 8.894 8.894 0.000) 12.578 4.859 ( 7.940 7.940 0.000) 11.228 5.315 ( 11.177 11.177 0.000) 15.806 5.547 ( 4.880 4.880 0.000) 6.901 6.203 ( -13.980 -13.980 0.000) 19.771 6.745 ( -1.014 -1.014 0.000) 1.434 6.838 ( 0.961 0.961 0.000) 1.359 7.429 ( 0.345 0.345 0.000) 0.488 7.509 ( 6.252 6.252 0.000) 8.842 8.913 ( 18.563 18.563 0.000) 26.251 9.753 ( -22.179 -22.179 0.000) 31.366 13.386 ( 20.305 20.305 0.000) 28.716 13.767 ( -15.262 -15.262 0.000) 21.584 14.152 ( -0.911 -0.911 0.000) 1.288 15.264 ( -0.237 -0.237 0.000) 0.335 15.882 ( 20.710 20.710 0.000) 29.289 16.430 ( -18.000 -18.000 0.000) 25.456 16.748 ( -1.563 -1.563 0.000) 2.210 18.639 ( 2.267 2.267 0.000) 3.206 22.009 ( 2.491 2.491 0.000) 3.523 22.054 ( -0.889 -0.889 0.000) 1.258 22.162 ( -1.254 -1.254 0.000) 1.773 22.210 ( 1.504 1.504 0.000) 2.127 26.817 ( 2.059 2.059 0.000) 2.912 28.050 ( -21.996 -21.996 0.000) 31.107 29.158 ( -0.587 -0.587 0.000) 0.830 29.970 ( 1.855 1.855 0.000) 2.623 33.988 ( 2.338 2.338 0.000) 3.307 35.130 ( 4.723 4.723 0.000) 6.680 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.44 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 0.000 9.335 15.856) 18.399 4.224 ( 0.000 -0.930 2.896) 3.042 4.808 ( -0.000 12.509 -1.555) 12.606 4.853 ( 0.000 -1.691 7.054) 7.254 5.941 ( 0.000 16.075 6.773) 17.444 6.299 ( -0.000 -3.132 -7.599) 8.219 6.766 ( -0.000 23.553 -4.255) 23.935 7.024 ( 0.000 -20.564 25.031) 32.395 7.344 ( -0.000 -2.556 -3.985) 4.735 7.355 ( -0.000 2.911 -0.541) 2.961 8.880 ( -0.000 27.937 -1.969) 28.006 9.173 ( -0.000 2.170 -2.269) 3.140 12.856 ( -0.000 90.858 -2.391) 90.890 14.402 ( 0.000 -2.711 3.502) 4.429 14.571 ( -0.000 -4.148 -9.443) 10.314 14.654 ( 0.000 -87.564 0.071) 87.564 15.363 ( -0.000 -6.912 -1.540) 7.082 15.576 ( 0.000 -27.830 0.737) 27.840 17.707 ( 0.000 -12.198 18.377) 22.057 17.839 ( -0.000 11.891 -16.275) 20.156 22.008 ( -0.000 3.784 -1.367) 4.024 22.054 ( 0.000 -3.466 0.874) 3.574 22.291 ( -0.000 20.594 -4.278) 21.034 22.611 ( 0.000 -20.323 3.475) 20.618 27.336 ( -0.000 21.589 1.104) 21.618 27.720 ( 0.000 -16.135 1.081) 16.171 30.823 ( 0.000 24.608 6.952) 25.571 31.418 ( -0.000 -8.820 -18.507) 20.502 32.626 ( 0.000 3.087 6.670) 7.350 32.876 ( -0.000 -6.200 -7.689) 9.877 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.44 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 5.525 -0.437 0.938) 5.621 4.245 ( 7.912 3.709 7.399) 11.449 4.838 ( 1.667 0.136 -1.966) 2.581 5.091 ( 3.324 11.419 -11.806) 16.758 6.089 ( 1.134 -9.272 1.803) 9.514 6.165 ( 3.231 -4.335 -1.203) 5.539 6.532 ( -4.560 -20.123 11.065) 23.413 7.165 ( -7.249 4.707 5.154) 10.063 7.272 ( -9.047 15.025 -5.191) 18.291 7.520 ( 1.454 13.816 -13.695) 19.508 8.719 ( -6.492 -46.234 0.925) 46.696 9.409 ( 18.929 17.095 0.311) 25.508 12.922 ( 7.477 -78.982 1.416) 79.348 14.185 ( -25.105 37.448 -0.204) 45.085 14.414 ( -0.500 4.398 8.108) 9.237 14.517 ( 1.466 -2.957 -6.160) 6.988 15.538 ( -2.334 15.080 -3.028) 15.557 15.810 ( 27.987 43.744 2.270) 51.980 17.498 ( 2.099 -10.167 17.662) 20.487 18.082 ( 0.578 10.803 -15.893) 19.226 21.947 ( -1.757 -9.016 3.263) 9.748 22.070 ( 0.129 1.390 -0.786) 1.603 22.175 ( -2.976 -14.333 1.623) 14.728 22.600 ( -8.277 19.815 -3.025) 21.687 27.431 ( 5.675 -19.507 -1.865) 20.402 27.818 ( 5.501 18.749 -0.827) 19.557 30.400 ( -35.397 -25.593 5.168) 43.985 30.876 ( -28.903 8.926 -3.313) 30.431 32.889 ( 24.250 -15.377 7.483) 29.674 33.360 ( 32.461 9.900 -9.784) 35.319 ======================= Grid point 12 (8/120) ======================= q-point: (-0.56 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.294 ( 6.907 -3.979 -3.433) 8.679 4.368 ( 10.679 -14.088 -1.708) 17.761 4.974 ( 5.565 4.644 -0.756) 7.287 5.399 ( 7.596 8.577 -21.710) 24.548 5.892 ( 9.420 -15.660 -4.193) 18.750 5.972 ( -10.791 -13.207 -1.554) 17.126 6.244 ( 1.627 -0.981 3.162) 3.689 6.792 ( -3.567 -15.346 8.870) 18.080 7.479 ( -6.963 13.684 -0.652) 15.368 7.726 ( -1.131 -25.765 1.703) 25.846 7.816 ( -9.397 16.166 -15.722) 24.430 10.372 ( 51.792 5.891 2.092) 52.168 11.614 ( 10.249 -73.602 2.359) 74.350 14.140 ( -16.626 13.057 1.373) 21.185 14.461 ( -0.586 2.088 11.096) 11.306 14.505 ( 0.111 -0.406 -3.987) 4.010 15.752 ( -28.044 34.636 -3.421) 44.697 17.211 ( 10.014 17.006 11.326) 22.754 17.486 ( 1.655 18.636 7.729) 20.243 18.251 ( -3.490 7.764 -14.993) 17.241 21.575 ( 2.794 -18.303 2.903) 18.741 22.005 ( 1.231 -2.881 0.732) 3.217 22.151 ( 1.314 0.765 -0.178) 1.531 22.805 ( -14.215 22.117 -1.184) 26.318 27.113 ( 3.125 -17.684 -8.214) 19.748 28.171 ( 0.981 6.194 8.942) 10.922 29.517 ( -7.600 -10.048 -1.650) 12.706 30.427 ( -29.610 11.094 -0.986) 31.635 33.029 ( 28.029 -24.035 11.212) 38.588 33.996 ( 20.629 -3.379 -8.031) 22.394 ======================= Grid point 17 (9/120) ======================= q-point: ( 0.44 -0.01 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -15.712 5.471 19.564) 25.681 4.122 ( -21.272 3.957 8.017) 23.074 4.580 ( 2.167 -2.736 26.227) 26.458 4.963 ( -0.938 7.263 7.985) 10.835 5.607 ( -22.017 8.494 4.787) 24.079 6.192 ( -10.892 -1.461 -8.283) 13.762 6.404 ( -9.460 -1.739 -5.947) 11.308 7.009 ( -18.084 -5.356 -3.122) 19.117 7.304 ( 1.728 3.491 18.195) 18.607 7.623 ( 23.001 -7.278 16.808) 29.403 8.000 ( -24.781 -15.178 -3.879) 29.317 9.411 ( -17.428 45.296 -5.390) 48.831 11.304 ( -83.698 20.015 -4.682) 86.185 14.442 ( 4.946 -3.883 -0.994) 6.366 14.685 ( 6.537 0.269 -12.150) 13.800 15.046 ( 43.638 -47.975 -2.619) 64.906 16.092 ( 38.635 -13.790 4.088) 41.225 16.957 ( 54.334 30.360 -3.957) 62.366 17.650 ( -8.829 4.721 -14.774) 17.847 17.958 ( 13.698 -2.155 18.297) 22.958 21.690 ( -24.813 -4.704 -4.994) 25.744 21.996 ( -3.636 0.467 -0.309) 3.679 22.127 ( 1.921 1.062 -0.242) 2.208 22.994 ( 26.338 -7.285 2.318) 27.425 26.926 ( -21.039 0.943 5.335) 21.725 28.103 ( 7.228 12.496 -0.782) 14.457 29.892 ( -30.630 -21.386 -2.300) 37.428 31.044 ( -1.664 -24.768 -11.427) 27.327 32.774 ( -15.609 21.730 -11.269) 29.031 33.396 ( 7.435 23.239 4.144) 24.748 ======================= Grid point 18 (10/120) ======================= q-point: ( 0.44 -0.01 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -28.520 28.520 18.927) 44.553 3.968 ( -7.898 7.898 25.398) 27.746 4.674 ( -1.445 1.445 36.713) 36.770 5.017 ( -2.097 2.097 3.899) 4.899 5.458 ( -16.725 16.725 5.316) 24.243 6.023 ( -2.896 2.896 -11.574) 12.277 6.288 ( -2.928 2.928 -4.055) 5.795 6.673 ( -12.698 12.698 -11.402) 21.272 7.441 ( -1.178 1.178 16.602) 16.686 7.543 ( -1.793 1.793 -2.897) 3.849 7.822 ( 19.301 -19.301 23.424) 35.968 10.143 ( -44.096 44.096 -1.211) 62.372 10.248 ( -49.668 49.668 -11.085) 71.111 14.450 ( 6.593 -6.593 -2.724) 9.714 14.774 ( 1.696 -1.696 -13.874) 14.080 14.988 ( 49.932 -49.932 -2.913) 70.674 16.355 ( 30.413 -30.413 4.331) 43.228 17.501 ( -8.108 8.108 -15.889) 19.594 18.045 ( 15.323 -15.323 -1.886) 21.752 18.072 ( 9.645 -9.645 18.045) 22.620 21.301 ( -14.212 14.212 -3.754) 20.446 21.969 ( -2.044 2.044 -0.426) 2.922 22.163 ( 0.093 -0.093 -0.564) 0.579 23.257 ( 23.022 -23.022 0.415) 32.560 26.650 ( -9.585 9.585 8.354) 15.922 28.332 ( -13.948 13.948 -10.602) 22.394 29.315 ( -1.363 1.363 3.474) 3.973 30.715 ( 11.059 -11.059 -7.929) 17.534 32.838 ( -23.019 23.019 -15.705) 36.144 33.727 ( -9.435 9.435 4.760) 14.167 ======================= Grid point 20 (11/120) ======================= q-point: (-0.13 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 -23.561 -46.516) 52.142 1.750 ( -0.000 -70.971 -11.675) 71.925 2.236 ( -0.000 -85.349 -17.554) 87.135 4.047 ( -0.000 14.142 -15.101) 20.690 4.290 ( -0.000 -5.608 -13.364) 14.493 5.598 ( -0.000 -17.557 -11.380) 20.923 6.258 ( 0.000 -2.831 6.123) 6.746 6.807 ( 0.000 -6.629 7.226) 9.806 6.825 ( -0.000 3.558 -3.729) 5.154 6.858 ( -0.000 31.922 -42.144) 52.870 7.572 ( -0.000 -8.550 -3.522) 9.247 8.285 ( 0.000 -30.294 0.881) 30.307 9.573 ( -0.000 9.986 -5.436) 11.370 15.232 ( 0.000 12.435 6.249) 13.917 15.337 ( 0.000 3.052 6.916) 7.559 17.347 ( -0.000 18.402 -2.802) 18.614 17.541 ( 0.000 -10.636 6.081) 12.252 17.694 ( -0.000 39.454 -24.278) 46.326 18.346 ( -0.000 61.129 -14.844) 62.906 18.445 ( -0.000 23.388 1.104) 23.414 20.498 ( 0.000 -48.261 6.075) 48.642 21.897 ( 0.000 -1.628 0.094) 1.631 22.232 ( 0.000 1.211 0.959) 1.544 24.600 ( -0.000 55.532 -0.963) 55.540 26.072 ( -0.000 -11.192 -1.759) 11.329 26.977 ( 0.000 -52.241 -1.078) 52.252 29.193 ( -0.000 -5.285 -0.768) 5.341 31.622 ( 0.000 -116.787 115.745) 164.426 32.365 ( -0.000 -1.113 -1.799) 2.115 33.535 ( 0.000 5.429 0.723) 5.477 ======================= Grid point 22 (12/120) ======================= q-point: (-0.13 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 26.230 14.964 -32.112) 44.081 2.639 ( 69.753 -15.407 -9.189) 72.023 3.543 ( -8.825 -14.649 -18.229) 24.995 4.524 ( 9.655 15.889 -6.258) 19.618 4.832 ( 51.025 45.149 0.423) 68.133 6.046 ( 4.875 3.552 -20.799) 21.655 6.104 ( -8.543 -1.990 -35.910) 36.966 6.385 ( 7.111 2.872 5.996) 9.735 6.999 ( 11.032 1.611 7.161) 13.251 7.107 ( 8.392 4.608 -3.826) 10.310 7.605 ( 14.497 -14.356 -3.622) 20.721 9.284 ( 26.266 37.493 2.681) 45.856 10.215 ( 50.576 21.381 9.511) 55.727 14.814 ( -14.961 -9.482 3.829) 18.122 15.270 ( -5.091 1.287 6.833) 8.617 16.189 ( -58.282 -54.839 1.413) 80.038 16.667 ( -31.530 -15.719 -2.260) 35.303 17.316 ( -11.387 -5.691 -20.951) 24.515 17.872 ( 11.216 7.126 6.973) 15.007 18.102 ( -35.668 15.330 0.583) 38.827 21.319 ( 30.017 -0.563 3.224) 30.195 21.946 ( 2.680 0.786 0.092) 2.794 22.193 ( -2.377 -0.085 0.466) 2.424 23.590 ( -39.012 -7.853 -0.166) 39.795 26.322 ( 18.305 -1.645 -2.931) 18.611 28.083 ( 18.428 30.390 1.480) 35.572 29.365 ( 21.001 -8.897 -0.251) 22.809 31.758 ( -9.737 -36.017 11.233) 38.965 33.368 ( 0.676 22.586 11.770) 25.477 33.605 ( 14.010 17.606 36.882) 43.203 ======================= Grid point 23 (13/120) ======================= q-point: (-0.13 -0.02 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 14.288 5.547 -24.899) 29.239 3.187 ( 10.630 1.001 -20.314) 22.949 3.846 ( 49.249 8.913 -4.704) 50.269 4.969 ( 9.020 12.789 -2.205) 15.805 5.544 ( -7.663 -3.796 -29.118) 30.348 6.228 ( 10.552 11.416 5.758) 16.578 6.602 ( 14.868 15.637 1.169) 21.609 6.623 ( 10.537 2.362 7.845) 13.347 7.189 ( -2.306 -4.173 -6.252) 7.862 7.289 ( 10.657 3.359 2.989) 11.567 7.786 ( 28.015 -3.964 -1.480) 28.333 10.548 ( -9.452 50.241 1.932) 51.159 11.849 ( 65.290 1.533 3.245) 65.389 14.326 ( -17.240 -14.311 3.586) 22.691 14.408 ( -12.150 -9.514 -0.193) 15.433 15.197 ( -5.134 1.848 6.888) 8.788 15.565 ( -30.908 -26.374 -1.411) 40.656 17.077 ( -6.270 -3.195 -13.208) 14.965 17.506 ( -42.837 5.805 0.852) 43.237 18.250 ( 9.924 6.139 7.001) 13.609 21.735 ( 16.458 -2.113 1.309) 16.644 22.041 ( 3.123 2.625 0.259) 4.087 22.134 ( -3.238 -0.261 -0.207) 3.255 22.743 ( -23.520 -12.287 -0.467) 26.540 26.673 ( 19.381 -2.913 -3.389) 19.890 28.722 ( -15.703 28.791 3.607) 32.993 29.646 ( 28.557 -16.257 3.320) 33.028 30.511 ( -25.755 -45.102 2.698) 52.008 33.632 ( -1.817 14.823 -2.220) 15.098 34.299 ( 8.407 22.443 20.448) 31.504 ======================= Grid point 24 (14/120) ======================= q-point: (-0.13 -0.02 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 6.574 -11.578 -30.131) 32.942 3.995 ( 18.967 18.211 -13.586) 29.597 4.744 ( 22.970 6.370 -3.261) 24.059 5.283 ( -2.913 8.824 -8.234) 12.416 5.497 ( 10.819 2.413 -12.372) 16.611 6.401 ( -5.519 1.674 -0.868) 5.833 6.756 ( 4.838 -7.140 9.946) 13.165 6.817 ( -0.895 -11.584 3.850) 12.240 7.179 ( 2.892 12.624 9.726) 16.196 7.476 ( 7.074 -1.553 -0.911) 7.299 8.641 ( 44.400 8.737 -1.243) 45.268 10.033 ( -57.765 -5.028 1.771) 58.011 13.049 ( 56.330 7.077 0.745) 56.778 13.979 ( -48.875 -1.597 -0.425) 48.903 14.201 ( -2.643 -1.863 -1.994) 3.798 15.148 ( -4.689 3.061 7.186) 9.110 15.517 ( 49.619 11.881 1.717) 51.051 16.626 ( -45.069 -1.000 1.022) 45.092 16.929 ( -4.121 -2.948 -12.200) 13.211 18.503 ( 5.471 3.212 7.177) 9.579 21.972 ( 9.693 -0.095 0.156) 9.694 22.051 ( -5.578 1.719 -0.783) 5.889 22.156 ( 2.188 2.070 0.556) 3.063 22.231 ( -8.158 -5.242 0.223) 9.699 26.937 ( 17.528 -8.234 -3.978) 19.770 28.424 ( -35.230 -12.468 5.670) 37.799 29.354 ( 4.025 -22.162 -0.981) 22.546 29.884 ( 3.530 -1.885 4.521) 6.038 33.867 ( -4.493 13.579 -3.584) 14.746 34.831 ( 4.469 16.132 9.251) 19.126 ======================= Grid point 25 (15/120) ======================= q-point: (-0.13 -0.02 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 9.786 -9.786 -31.188) 34.121 4.384 ( -0.323 0.323 -15.485) 15.491 5.035 ( 6.029 -6.029 -3.515) 9.222 5.397 ( -10.182 10.182 -4.775) 15.171 5.835 ( 9.874 -9.874 -9.127) 16.683 6.041 ( -2.412 2.412 -5.287) 6.292 6.635 ( -1.025 1.025 9.835) 9.941 6.817 ( 9.851 -9.851 10.902) 17.691 7.345 ( -5.940 5.940 11.126) 13.941 7.544 ( 5.376 -5.376 -0.368) 7.612 9.258 ( -22.417 22.417 1.960) 31.763 9.342 ( 21.029 -21.029 -1.680) 29.786 13.257 ( -22.562 22.562 -0.962) 31.922 13.927 ( 20.041 -20.041 1.190) 28.367 14.168 ( 0.083 -0.083 -2.624) 2.626 15.129 ( -4.082 4.082 7.786) 9.692 15.981 ( -24.267 24.267 0.287) 34.321 16.291 ( 17.061 -17.061 -0.784) 24.140 16.843 ( -0.601 0.601 -10.387) 10.422 18.590 ( 0.894 -0.894 7.235) 7.344 21.993 ( -4.719 4.719 -0.469) 6.690 22.046 ( -0.716 0.716 -0.795) 1.287 22.173 ( 3.120 -3.120 0.637) 4.458 22.214 ( -0.209 0.209 0.774) 0.829 27.033 ( 13.993 -13.993 -4.255) 20.241 27.745 ( -2.651 2.651 4.534) 5.883 29.249 ( 7.524 -7.524 -1.795) 10.791 29.896 ( -2.165 2.165 6.060) 6.789 33.962 ( -9.347 9.347 -4.144) 13.853 35.050 ( -5.276 5.276 6.605) 9.965 ======================= Grid point 30 (16/120) ======================= q-point: ( 0.31 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.000 17.804 30.816) 35.589 3.946 ( 0.000 10.903 11.716) 16.004 4.366 ( 0.000 24.589 8.596) 26.048 4.586 ( 0.000 13.087 6.889) 14.789 5.347 ( 0.000 29.930 8.247) 31.046 6.361 ( -0.000 7.819 -3.289) 8.483 6.441 ( -0.000 14.118 0.711) 14.136 6.683 ( 0.000 -14.549 34.240) 37.203 7.166 ( -0.000 14.394 -2.327) 14.581 7.355 ( 0.000 4.313 8.009) 9.096 8.328 ( -0.000 28.215 -1.604) 28.260 9.029 ( -0.000 16.700 -8.813) 18.882 11.198 ( -0.000 81.662 -6.189) 81.896 14.539 ( -0.000 -11.401 -2.998) 11.789 14.918 ( -0.000 -7.331 -10.573) 12.866 15.910 ( 0.000 -41.300 -1.745) 41.337 16.101 ( 0.000 -49.549 4.131) 49.720 16.461 ( 0.000 -62.244 -3.928) 62.368 17.561 ( 0.000 -14.317 20.273) 24.819 17.896 ( -0.000 13.098 -12.149) 17.865 21.874 ( -0.000 23.120 -4.945) 23.643 22.010 ( -0.000 7.272 -1.111) 7.356 22.117 ( 0.000 -3.676 0.011) 3.677 23.003 ( 0.000 -26.510 2.517) 26.629 26.840 ( 0.000 22.613 2.846) 22.792 27.912 ( 0.000 -5.183 2.041) 5.570 30.128 ( -0.000 34.543 1.687) 34.584 32.016 ( -0.000 5.972 -36.526) 37.011 32.471 ( 0.000 0.888 4.420) 4.509 33.176 ( -0.000 -5.842 -8.527) 10.336 ======================= Grid point 31 (17/120) ======================= q-point: ( 0.31 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 10.183 17.997 20.803) 29.331 3.970 ( -6.658 4.934 18.767) 20.515 4.703 ( -2.002 20.635 -1.722) 20.803 4.974 ( 5.427 11.610 -0.346) 12.820 5.854 ( 7.832 4.588 10.709) 14.038 6.376 ( -2.243 -7.702 13.964) 16.104 6.523 ( 3.980 0.695 2.976) 5.018 6.783 ( -1.652 19.464 -3.301) 19.811 7.314 ( -7.223 -2.607 -0.630) 7.705 7.437 ( 0.829 12.963 -4.464) 13.736 8.776 ( -9.790 40.041 -1.112) 41.236 9.472 ( 18.713 -21.160 -2.216) 28.334 13.035 ( 8.656 75.542 -3.670) 76.124 14.195 ( -27.486 -44.837 -0.607) 52.595 14.337 ( -2.595 -7.686 2.014) 8.358 14.814 ( 3.350 -8.142 -8.774) 12.430 15.427 ( -1.213 -11.561 1.715) 11.750 15.937 ( 27.597 -45.289 -2.970) 53.118 17.320 ( -0.054 -9.788 17.585) 20.126 18.171 ( 2.309 10.851 -12.300) 16.564 22.021 ( -0.570 -4.493 1.399) 4.740 22.036 ( 0.457 3.499 -1.002) 3.669 22.284 ( -8.386 18.183 -2.823) 20.222 22.492 ( -5.343 -19.445 1.659) 20.233 27.293 ( -2.090 22.510 3.238) 22.838 27.892 ( 16.049 -13.548 -2.876) 21.199 30.438 ( -21.652 13.740 2.198) 25.738 31.047 ( -50.107 -12.077 -8.550) 52.247 33.053 ( 30.566 -12.892 3.899) 33.402 33.461 ( 29.577 8.639 -18.039) 35.705 ======================= Grid point 32 (18/120) ======================= q-point: ( 0.31 -0.02 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( -8.652 9.483 21.794) 25.294 4.280 ( 14.961 11.992 11.961) 22.599 5.002 ( 7.435 0.827 -1.360) 7.603 5.294 ( 0.455 14.939 -1.841) 15.059 5.960 ( 4.965 -1.530 17.470) 18.227 6.213 ( 1.519 -5.932 1.439) 6.290 6.581 ( 7.188 -9.040 -17.384) 20.871 6.878 ( -16.437 -3.735 -2.155) 16.993 7.151 ( -10.780 17.906 -4.029) 21.285 7.718 ( -2.457 14.572 -5.036) 15.612 8.673 ( 3.419 -60.015 -0.127) 60.113 9.724 ( 10.475 48.999 1.310) 50.123 12.917 ( -4.791 -59.779 1.564) 59.992 13.983 ( 4.418 23.830 -1.811) 24.304 14.263 ( 0.231 -0.712 5.841) 5.889 14.743 ( 5.378 -7.658 -7.912) 12.254 15.511 ( -3.650 -19.957 -2.129) 20.400 16.278 ( 18.118 52.446 0.015) 55.487 17.168 ( 0.928 -5.813 16.329) 17.357 18.389 ( 0.575 7.218 -11.683) 13.745 21.851 ( 0.055 -13.488 2.350) 13.691 22.070 ( -1.381 -4.145 0.060) 4.370 22.147 ( 1.310 -1.025 -0.352) 1.700 22.438 ( -11.054 17.324 -1.418) 20.599 27.529 ( 2.227 -1.955 3.306) 4.439 27.908 ( -4.472 -0.623 -5.063) 6.784 29.741 ( -18.761 -12.576 1.227) 22.619 30.291 ( -35.504 10.252 -5.142) 37.311 33.287 ( 27.841 -19.683 6.698) 34.748 34.207 ( 26.965 2.005 -11.020) 29.199 ======================= Grid point 33 (19/120) ======================= q-point: (-0.69 -0.02 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -10.278 10.278 22.272) 26.595 4.588 ( 5.066 -5.066 8.382) 11.027 5.061 ( 7.859 -7.859 1.700) 11.244 5.524 ( -7.806 7.806 6.327) 12.724 5.978 ( 8.762 -8.762 8.368) 14.952 6.242 ( 0.467 -0.467 -24.400) 24.409 6.424 ( -4.132 4.132 15.105) 16.196 6.614 ( 5.505 -5.505 -23.036) 24.316 7.262 ( -15.672 15.672 -3.158) 22.387 7.850 ( -10.703 10.703 -5.149) 15.988 7.979 ( 32.351 -32.351 1.353) 45.772 10.723 ( -30.514 30.514 3.461) 43.291 11.874 ( 42.162 -42.162 0.770) 59.631 14.260 ( -0.332 0.332 6.795) 6.811 14.418 ( 36.140 -36.140 -1.179) 51.123 14.724 ( 7.910 -7.910 -7.421) 13.425 15.138 ( -35.668 35.668 -2.197) 50.490 17.039 ( 4.010 -4.010 15.401) 16.412 17.197 ( -22.664 22.664 1.332) 32.079 18.466 ( -3.139 3.139 -11.438) 12.269 21.674 ( 10.419 -10.419 1.334) 14.795 22.014 ( 1.752 -1.752 1.018) 2.678 22.181 ( 0.600 -0.600 -0.631) 1.058 22.527 ( -14.601 14.601 -0.755) 20.662 27.394 ( 7.805 -7.805 -8.072) 13.675 27.825 ( -11.826 11.826 9.559) 19.263 29.626 ( 3.296 -3.296 -6.668) 8.135 29.893 ( -22.177 22.177 -0.274) 31.364 33.372 ( 24.955 -24.955 7.751) 36.132 34.509 ( 12.006 -12.006 -8.791) 19.120 ======================= Grid point 37 (20/120) ======================= q-point: ( 0.31 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -46.450 -1.456 19.825) 50.525 3.098 ( -26.198 2.436 36.037) 44.620 4.013 ( -0.776 -3.052 24.308) 24.512 4.673 ( -11.890 23.158 8.979) 27.537 4.949 ( -29.051 15.748 10.478) 34.666 6.206 ( -7.440 2.336 -9.947) 12.639 6.224 ( -10.918 4.661 5.414) 13.048 6.806 ( -14.371 -0.285 -10.456) 17.774 6.950 ( 9.248 0.240 23.202) 24.978 7.355 ( 0.110 6.185 23.391) 24.195 7.692 ( -10.601 -13.787 5.305) 18.183 9.194 ( -20.228 39.213 -5.865) 44.511 9.982 ( -56.113 17.722 -11.161) 59.893 14.704 ( 12.002 -7.839 -6.201) 15.619 15.065 ( 4.588 0.842 -11.966) 12.843 16.147 ( 57.230 -54.215 -2.491) 78.872 16.735 ( 32.168 -16.036 4.064) 36.172 17.639 ( -6.144 5.503 -9.480) 12.566 17.827 ( 16.779 -5.261 18.576) 25.579 18.086 ( 34.046 13.232 -0.133) 36.527 21.229 ( -30.778 1.766 -4.982) 31.229 21.944 ( -2.467 0.893 -0.152) 2.627 22.178 ( 1.701 0.173 -0.881) 1.924 23.598 ( 37.205 -9.306 0.616) 38.356 26.412 ( -17.638 -0.410 5.383) 18.446 28.044 ( -19.158 23.538 -2.027) 30.417 29.374 ( -18.787 -8.558 0.619) 20.654 31.315 ( -12.508 -15.462 -28.498) 34.752 32.743 ( -20.194 26.086 -19.660) 38.403 33.461 ( 4.152 8.990 0.846) 9.939 ======================= Grid point 39 (21/120) ======================= q-point: (-0.25 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -0.000 -17.842 -38.123) 42.091 3.232 ( -0.000 -52.089 -8.428) 52.766 3.975 ( -0.000 -50.298 -13.659) 52.120 4.273 ( -0.000 7.352 -25.288) 26.335 4.847 ( -0.000 -14.844 -17.961) 23.301 6.176 ( -0.000 -12.640 -8.614) 15.295 6.182 ( 0.000 -8.523 8.593) 12.103 6.854 ( 0.000 -15.211 6.833) 16.675 6.898 ( -0.000 -2.312 -5.666) 6.120 7.271 ( -0.000 3.813 -30.013) 30.254 7.884 ( 0.000 -16.153 -1.501) 16.223 8.776 ( 0.000 -10.660 4.594) 11.608 9.796 ( 0.000 -49.515 8.331) 50.211 14.796 ( 0.000 13.563 7.333) 15.419 15.047 ( 0.000 5.340 11.708) 12.868 16.893 ( -0.000 52.608 2.310) 52.659 16.897 ( -0.000 33.381 -4.321) 33.659 17.534 ( 0.000 10.393 10.409) 14.709 17.741 ( 0.000 25.929 3.963) 26.230 17.952 ( -0.000 26.945 -23.139) 35.517 21.235 ( 0.000 -38.243 6.628) 38.813 21.937 ( 0.000 -2.599 0.268) 2.613 22.175 ( 0.000 2.113 1.027) 2.349 23.664 ( -0.000 40.367 -2.251) 40.430 26.434 ( -0.000 -17.480 -4.367) 18.017 27.788 ( -0.000 -21.557 -2.563) 21.709 29.485 ( 0.000 -24.536 -0.812) 24.550 31.468 ( 0.000 -48.740 54.521) 73.131 32.451 ( -0.000 -1.333 -4.007) 4.223 33.355 ( 0.000 10.182 1.357) 10.272 ======================= Grid point 40 (22/120) ======================= q-point: (-0.25 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 23.058 -23.058 -27.339) 42.553 2.777 ( 14.571 -14.571 -43.104) 47.776 3.564 ( 42.573 -42.573 -18.985) 63.130 4.473 ( 1.312 -1.312 -27.541) 27.603 4.659 ( 4.486 -4.486 -14.953) 16.243 6.020 ( 8.635 -8.635 -13.093) 17.904 6.104 ( 3.125 -3.125 10.691) 11.569 6.613 ( 4.518 -4.518 12.255) 13.820 6.847 ( 12.772 -12.772 1.781) 18.150 7.520 ( -4.599 4.599 -27.205) 27.972 7.544 ( -0.990 0.990 -3.118) 3.418 8.596 ( 31.683 -31.683 1.858) 44.845 9.526 ( -3.410 3.410 5.844) 7.577 14.930 ( -9.659 9.659 9.444) 16.607 15.126 ( -1.379 1.379 12.320) 12.474 17.246 ( -48.588 48.588 2.270) 68.752 17.248 ( -18.007 18.007 -4.758) 25.907 17.451 ( 7.709 -7.709 10.953) 15.454 18.311 ( -27.450 27.450 -21.659) 44.453 18.519 ( -6.556 6.556 1.763) 9.437 20.636 ( 24.950 -24.950 5.285) 35.678 21.906 ( 1.166 -1.166 -0.029) 1.649 22.199 ( -0.495 0.495 1.489) 1.645 24.335 ( -30.587 30.587 1.035) 43.268 26.144 ( 7.215 -7.215 -5.778) 11.727 27.432 ( 34.069 -34.069 -0.136) 48.181 29.209 ( 1.153 -1.153 -1.838) 2.457 30.717 ( 42.213 -42.213 44.188) 74.273 32.471 ( 6.301 -6.301 1.465) 9.030 33.514 ( -1.371 1.371 -0.064) 1.939 ======================= Grid point 42 (23/120) ======================= q-point: (-0.25 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 18.580 9.979 -28.982) 35.843 3.917 ( 11.449 -2.375 -17.778) 21.279 4.045 ( 32.012 -15.210 -14.576) 38.322 4.830 ( 5.885 11.402 -5.946) 14.142 5.553 ( 25.101 16.834 -0.271) 30.224 6.388 ( 8.765 2.111 7.312) 11.608 6.451 ( 12.736 1.494 0.062) 12.824 6.642 ( -15.385 -4.339 -36.508) 39.854 7.140 ( 16.732 -0.756 5.467) 17.618 7.379 ( -1.305 0.579 -8.192) 8.316 8.050 ( 27.675 -17.484 0.921) 32.748 9.534 ( 11.761 40.868 5.638) 42.898 11.425 ( 80.577 19.851 6.422) 83.234 14.479 ( -9.868 -5.389 2.280) 11.472 14.932 ( -12.414 -3.964 10.323) 16.625 15.098 ( -41.026 -43.282 2.299) 59.680 16.013 ( -37.656 -13.176 -3.268) 40.028 17.032 ( -54.903 29.775 2.983) 62.529 17.545 ( -13.707 -1.370 -19.617) 23.971 17.942 ( 11.690 4.189 11.987) 17.259 21.789 ( 23.763 -6.877 4.178) 25.088 22.003 ( 3.590 0.431 0.309) 3.629 22.131 ( -2.621 0.781 0.089) 2.737 22.950 ( -27.016 -5.909 -1.760) 27.710 26.822 ( 22.802 -1.825 -4.230) 23.263 28.127 ( -7.200 19.739 1.310) 21.052 29.930 ( 31.431 -16.852 1.271) 35.687 31.306 ( -9.662 -44.020 11.824) 46.593 33.125 ( 12.886 38.123 18.935) 44.474 33.354 ( -4.470 15.502 3.439) 16.496 ======================= Grid point 43 (24/120) ======================= q-point: (-0.25 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 3.631 -6.662 -32.136) 33.020 3.969 ( 17.819 16.944 -18.202) 30.593 4.721 ( 27.382 4.023 -2.327) 27.774 5.113 ( 4.007 8.191 1.178) 9.195 5.997 ( -1.078 4.901 -16.766) 17.501 6.321 ( -5.215 -1.939 -9.688) 11.172 6.593 ( 8.125 -0.985 13.540) 15.822 6.756 ( 12.410 2.181 4.892) 13.517 7.116 ( -11.594 -12.173 -0.787) 16.829 7.450 ( 12.431 0.196 5.175) 13.467 8.628 ( 51.726 -3.378 -1.277) 51.852 9.857 ( -50.460 16.223 2.126) 53.046 13.074 ( 58.877 -6.884 2.617) 59.336 13.904 ( -33.214 2.041 0.022) 33.277 14.297 ( -3.001 -1.561 -3.462) 4.841 14.887 ( -6.487 3.483 10.282) 12.646 15.393 ( 22.998 -0.743 -0.179) 23.011 16.413 ( -55.094 17.635 2.672) 57.909 17.310 ( -7.759 -1.220 -18.119) 19.748 18.228 ( 8.824 2.958 12.529) 15.607 21.995 ( 7.599 -2.486 0.726) 8.028 22.048 ( -1.786 0.796 -0.157) 1.961 22.143 ( 7.285 -3.378 0.260) 8.034 22.359 ( -15.754 -7.194 -0.473) 17.326 27.218 ( 23.078 -6.102 -6.373) 24.707 28.219 ( -21.364 12.974 7.677) 26.148 29.998 ( 12.731 -20.192 4.153) 24.229 30.064 ( -12.276 -43.395 1.199) 45.114 33.594 ( -10.398 23.513 -5.848) 26.367 34.087 ( 9.958 29.274 16.536) 35.065 ======================= Grid point 44 (25/120) ======================= q-point: (-0.25 -0.03 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 6.751 -6.855 -33.847) 35.188 4.581 ( 5.935 13.602 -14.653) 20.855 5.163 ( 4.331 6.990 -2.700) 8.655 5.316 ( 6.488 1.959 -1.827) 7.019 6.026 ( 3.211 2.628 -14.037) 14.638 6.287 ( -5.113 5.416 6.804) 10.088 6.513 ( -10.464 -18.225 -4.665) 21.527 6.664 ( 3.133 -3.447 23.220) 23.682 6.987 ( 8.309 -1.605 6.249) 10.519 7.629 ( 10.954 -5.958 5.483) 13.622 8.844 ( -51.667 13.384 1.888) 53.406 9.738 ( 55.575 -9.791 -3.154) 56.519 12.925 ( -55.129 9.562 -1.304) 55.968 14.106 ( 45.642 0.429 1.765) 45.678 14.271 ( 3.883 -0.065 -5.824) 7.000 14.840 ( -5.844 3.886 10.265) 12.435 15.562 ( -54.265 11.958 1.696) 55.593 16.480 ( 44.492 1.352 -0.956) 44.523 17.158 ( -5.389 -1.616 -16.862) 17.776 18.390 ( 4.594 -0.559 12.542) 13.368 21.898 ( -11.086 4.619 -1.165) 12.066 22.058 ( -2.155 0.197 -1.002) 2.385 22.175 ( 1.048 1.235 1.148) 1.985 22.256 ( 11.791 -6.806 0.833) 13.640 27.461 ( 17.554 -10.679 -7.841) 21.992 27.706 ( -17.975 -11.149 7.829) 22.554 29.504 ( 8.374 -10.558 -1.220) 13.531 29.767 ( -1.258 -11.508 6.882) 13.467 33.786 ( -15.555 20.736 -7.773) 27.062 34.645 ( -1.596 16.393 10.774) 19.682 ======================= Grid point 48 (26/120) ======================= q-point: ( 0.18 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.000 27.258 35.752) 44.957 3.125 ( -0.000 62.111 1.883) 62.140 3.794 ( 0.000 -7.854 18.173) 19.798 3.882 ( -0.000 67.993 -2.980) 68.059 4.460 ( 0.000 15.427 17.136) 23.057 5.967 ( 0.000 17.229 8.149) 19.058 6.168 ( 0.000 -23.759 50.850) 56.127 6.355 ( -0.000 7.121 -5.879) 9.234 6.992 ( -0.000 11.308 -5.197) 12.445 7.046 ( -0.000 11.619 -0.279) 11.622 7.845 ( -0.000 19.154 1.809) 19.239 8.860 ( -0.000 20.363 -2.883) 20.566 9.968 ( -0.000 50.029 -7.092) 50.529 14.924 ( -0.000 -16.856 -4.432) 17.429 15.245 ( -0.000 -6.033 -6.533) 8.892 16.824 ( 0.000 -32.931 2.441) 33.021 16.939 ( 0.000 -50.792 -2.198) 50.840 17.421 ( 0.000 -21.188 24.335) 32.266 17.689 ( 0.000 -39.583 -4.097) 39.794 17.830 ( -0.000 4.761 -4.035) 6.240 21.360 ( -0.000 37.028 -4.683) 37.323 21.943 ( -0.000 2.857 -0.278) 2.871 22.192 ( -0.000 -2.899 -0.534) 2.947 23.626 ( 0.000 -40.741 1.296) 40.761 26.361 ( 0.000 18.125 2.400) 18.283 27.748 ( -0.000 21.402 1.270) 21.439 29.472 ( -0.000 24.722 0.427) 24.726 32.388 ( 0.000 0.937 1.992) 2.202 32.805 ( -0.000 12.389 -56.762) 58.098 33.467 ( -0.000 2.439 -16.947) 17.122 ======================= Grid point 49 (27/120) ======================= q-point: ( 0.18 -0.04 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 12.513 28.088 22.333) 38.004 3.454 ( -15.675 1.384 18.383) 24.199 3.944 ( -17.736 56.170 0.928) 58.911 4.699 ( 13.554 9.035 5.820) 17.297 5.498 ( 12.822 6.192 11.613) 18.374 5.964 ( 10.331 13.365 15.697) 23.059 6.322 ( 9.318 9.942 7.830) 15.716 6.583 ( 2.201 12.965 -6.140) 14.513 7.237 ( -0.425 8.427 -0.049) 8.438 7.257 ( -0.154 9.584 0.257) 9.589 8.051 ( -19.592 30.657 0.493) 36.386 9.634 ( 37.793 8.590 -3.465) 38.911 11.556 ( 19.446 76.931 -5.298) 79.528 14.526 ( -6.264 -13.090 -1.848) 14.629 15.086 ( -35.806 -38.019 -3.458) 52.340 15.158 ( -10.342 -17.434 -3.657) 20.598 15.958 ( -12.727 -36.751 1.747) 38.932 17.065 ( 18.595 -38.902 1.639) 43.149 17.188 ( 10.067 -25.653 10.749) 29.580 18.143 ( 4.156 12.482 -6.653) 14.742 21.860 ( -8.340 22.131 -2.330) 23.765 22.009 ( 0.087 3.631 -0.211) 3.638 22.132 ( 0.533 -2.771 -0.049) 2.822 22.921 ( -5.006 -27.365 0.911) 27.834 26.752 ( -3.747 23.932 2.295) 24.332 28.152 ( 24.516 -7.042 -0.911) 25.524 29.948 ( -13.319 31.013 -0.470) 33.755 31.500 ( -51.137 -15.371 -6.008) 53.734 33.242 ( 25.767 -10.128 0.454) 27.690 33.803 ( 23.498 4.749 -26.987) 36.097 ======================= Grid point 50 (28/120) ======================= q-point: ( 0.18 -0.04 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -16.663 11.714 22.865) 30.622 3.622 ( 16.931 23.806 12.792) 31.891 4.689 ( -1.791 32.374 0.275) 32.424 5.108 ( 9.550 3.967 2.350) 10.604 5.460 ( 0.946 1.975 22.666) 22.771 6.304 ( 6.168 -2.723 -1.376) 6.881 6.842 ( 12.950 8.318 -3.830) 15.861 6.882 ( -1.191 14.267 -11.247) 18.206 7.113 ( -11.526 -3.800 0.222) 12.138 7.497 ( -0.482 10.558 0.168) 10.570 8.603 ( -4.936 50.596 0.957) 50.846 9.894 ( 16.630 -50.661 -1.243) 53.335 13.120 ( -8.595 58.161 -1.601) 58.814 13.911 ( 1.405 -36.817 -0.481) 36.847 14.249 ( -2.878 -5.380 1.274) 6.233 15.064 ( 5.050 -8.142 -5.962) 11.284 15.404 ( 1.221 24.886 -0.913) 24.933 16.463 ( 16.858 -54.836 -1.940) 57.401 16.977 ( -1.746 -6.069 12.178) 13.718 18.434 ( 3.430 8.261 -6.697) 11.174 21.993 ( 0.212 -1.098 0.461) 1.209 22.054 ( -2.164 4.128 -0.493) 4.686 22.148 ( -4.049 7.613 -0.188) 8.625 22.354 ( -6.441 -14.170 0.064) 15.565 27.113 ( -7.889 22.677 3.356) 24.244 28.346 ( 16.269 -19.938 -4.097) 26.058 30.008 ( -21.348 -11.250 0.562) 24.138 30.167 ( -43.262 9.520 -5.062) 44.585 33.502 ( 22.321 -11.317 2.877) 25.191 34.405 ( 25.968 2.597 -12.033) 28.738 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.18 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -17.515 16.509 24.087) 34.052 4.289 ( 9.014 9.999 11.255) 17.547 5.089 ( 4.621 6.159 2.832) 8.204 5.225 ( 0.569 3.129 7.193) 7.865 5.770 ( 7.089 13.939 6.727) 17.024 6.200 ( -4.414 -11.306 5.653) 13.389 6.695 ( -10.000 -3.928 -9.758) 14.514 7.048 ( -11.467 15.361 -7.549) 20.602 7.168 ( 10.843 -3.483 -14.698) 18.594 7.648 ( -4.934 9.511 3.280) 11.206 8.874 ( 15.194 -52.756 -0.919) 54.908 9.686 ( -10.604 54.182 1.716) 55.237 12.903 ( 9.609 -54.693 0.698) 55.535 14.135 ( 0.110 31.602 -0.829) 31.613 14.186 ( 0.080 17.171 2.325) 17.328 15.022 ( 6.388 -7.790 -6.272) 11.868 15.590 ( 11.149 -54.365 -0.889) 55.503 16.476 ( -0.249 42.453 -0.592) 42.458 16.857 ( -1.581 -2.808 10.812) 11.282 18.595 ( 0.394 3.662 -6.578) 7.539 21.878 ( 5.387 -10.764 0.690) 12.057 22.041 ( -0.384 -2.505 0.551) 2.593 22.194 ( 1.652 0.666 -0.608) 1.882 22.271 ( -6.997 11.711 -0.543) 13.653 27.328 ( -12.357 19.099 4.320) 23.154 27.845 ( -10.220 -21.427 -4.657) 24.192 29.484 ( -13.385 11.380 0.631) 17.580 29.899 ( -8.112 -2.919 -4.901) 9.917 33.662 ( 20.123 -15.766 3.885) 25.857 34.836 ( 16.078 -4.049 -6.653) 17.865 ======================= Grid point 56 (30/120) ======================= q-point: ( 0.18 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -31.368 31.368 16.795) 47.434 1.758 ( -16.923 16.923 46.875) 52.631 3.400 ( -57.421 57.421 -0.564) 81.207 3.930 ( -0.017 0.017 22.347) 22.347 4.385 ( -7.497 7.497 9.905) 14.509 5.757 ( -13.729 13.729 10.136) 21.902 6.286 ( -2.923 2.923 -6.094) 7.364 6.563 ( 25.023 -25.023 57.664) 67.657 6.837 ( -4.604 4.604 -8.446) 10.664 6.938 ( -7.602 7.602 0.692) 10.773 7.458 ( 0.932 -0.932 4.314) 4.511 8.628 ( -31.260 31.260 -1.091) 44.222 9.652 ( -10.810 10.810 -5.582) 16.275 15.092 ( 11.750 -11.750 -5.433) 17.483 15.336 ( 1.423 -1.423 -7.034) 7.316 17.168 ( 17.542 -17.542 2.640) 24.948 17.264 ( 40.237 -40.237 1.792) 56.932 17.627 ( -2.597 2.597 -1.516) 3.973 17.730 ( 27.298 -27.298 25.869) 46.471 18.550 ( 6.639 -6.639 -1.012) 9.443 20.742 ( -23.926 23.926 -4.243) 34.102 21.906 ( -1.212 1.212 0.027) 1.715 22.224 ( 0.862 -0.862 -0.832) 1.476 24.368 ( 31.281 -31.281 -1.817) 44.275 26.047 ( -7.037 7.037 3.176) 10.447 27.440 ( -37.590 37.590 -0.652) 53.164 29.180 ( -1.074 1.074 0.950) 1.792 31.851 ( -2.991 2.991 -39.498) 39.724 32.869 ( -41.925 41.925 -58.483) 83.281 33.522 ( 1.122 -1.122 -1.794) 2.395 ======================= Grid point 57 (31/120) ======================= q-point: (-0.38 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( -0.000 -9.625 -23.144) 25.065 4.080 ( -0.000 -19.495 -2.752) 19.688 4.670 ( -0.000 1.648 -16.121) 16.205 4.834 ( -0.000 -6.163 -16.893) 17.982 5.512 ( -0.000 -23.536 -6.964) 24.544 6.203 ( 0.000 -11.616 6.924) 13.524 6.424 ( 0.000 -9.948 6.428) 11.844 7.148 ( -0.000 -3.841 -9.891) 10.611 7.197 ( -0.000 -15.163 -5.495) 16.128 7.697 ( -0.000 23.026 -22.327) 32.073 8.271 ( 0.000 -26.805 3.855) 27.081 8.823 ( 0.000 -24.878 9.942) 26.791 11.082 ( 0.000 -84.071 4.480) 84.190 14.483 ( 0.000 5.847 1.968) 6.169 14.670 ( 0.000 5.359 12.238) 13.360 15.866 ( -0.000 40.387 2.334) 40.454 16.203 ( -0.000 51.973 -5.289) 52.242 16.367 ( -0.000 60.026 4.651) 60.206 17.599 ( 0.000 -11.639 15.356) 19.269 17.979 ( -0.000 15.597 -18.303) 24.047 21.751 ( 0.000 -26.549 6.242) 27.273 21.995 ( 0.000 -4.841 0.411) 4.858 22.113 ( 0.000 2.418 0.317) 2.439 23.065 ( -0.000 26.300 -3.245) 26.499 26.911 ( -0.000 -20.197 -3.813) 20.554 27.967 ( -0.000 6.601 -3.066) 7.278 30.171 ( 0.000 -37.105 -2.311) 37.177 31.277 ( 0.000 -22.266 30.362) 37.651 32.593 ( -0.000 -1.303 -7.018) 7.138 33.081 ( 0.000 13.077 2.043) 13.235 ======================= Grid point 58 (32/120) ======================= q-point: (-0.38 -0.05 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -2.258 -41.627 -21.034) 46.694 3.804 ( 10.257 -11.908 -25.505) 29.958 4.576 ( 6.197 -9.739 -30.176) 32.309 4.923 ( 8.995 0.598 -12.363) 15.301 5.222 ( 5.166 -13.817 -14.417) 20.627 5.983 ( 1.432 -8.565 9.688) 13.010 6.276 ( -0.974 -3.894 0.677) 4.071 6.580 ( -4.197 -19.394 9.686) 22.081 7.251 ( 15.802 -9.088 -10.576) 21.075 7.631 ( -7.383 -8.644 -0.630) 11.385 8.047 ( 0.290 4.755 -23.747) 24.220 9.034 ( 38.861 -11.325 9.084) 41.485 9.774 ( 15.103 -62.464 8.080) 64.770 14.567 ( -5.161 7.199 6.324) 10.883 14.784 ( 0.568 3.742 13.930) 14.435 16.086 ( -54.091 56.618 3.221) 78.369 16.833 ( -16.502 33.078 -4.956) 37.296 17.355 ( 5.879 -8.576 14.908) 18.176 18.008 ( 15.766 36.058 0.902) 39.364 18.276 ( -7.572 17.941 -15.238) 24.726 21.119 ( 3.896 -30.938 5.173) 31.608 21.940 ( 0.873 -2.211 0.199) 2.385 22.156 ( 0.566 0.820 1.158) 1.528 23.617 ( -11.267 35.358 -1.061) 37.125 26.544 ( 1.523 -16.666 -6.872) 18.091 28.007 ( 14.229 -19.020 1.266) 23.787 29.393 ( -7.343 -15.453 -1.157) 17.148 30.751 ( 8.130 -27.379 21.703) 35.871 32.547 ( 4.132 -6.054 2.670) 7.801 33.494 ( 12.305 2.689 -2.141) 12.776 ======================= Grid point 61 (33/120) ======================= q-point: (-0.38 -0.05 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( 10.294 8.560 -14.610) 19.817 4.286 ( -2.352 5.809 -7.072) 9.449 4.743 ( 13.733 -1.815 -6.599) 15.344 4.947 ( -0.590 5.708 0.588) 5.768 5.983 ( 13.501 3.790 -5.209) 14.959 6.300 ( -1.599 -0.040 8.803) 8.948 6.722 ( 21.978 -4.378 4.848) 22.928 6.979 ( -21.782 -4.831 -23.913) 32.705 7.301 ( -0.142 -3.757 4.075) 5.545 7.325 ( 1.672 -2.802 0.694) 3.336 8.746 ( 42.446 -7.674 1.518) 43.161 9.430 ( -18.962 19.321 1.628) 27.120 12.966 ( 77.813 8.518 2.722) 78.325 14.185 ( -41.994 -26.821 0.243) 49.829 14.403 ( -2.855 -0.794 -4.332) 5.249 14.610 ( -5.914 1.745 9.910) 11.671 15.475 ( -13.513 -1.709 -2.742) 13.894 15.870 ( -44.420 27.375 3.170) 52.275 17.711 ( -11.136 0.334 -18.468) 21.568 17.864 ( 10.923 2.289 16.248) 19.711 22.005 ( 5.461 -0.762 2.081) 5.894 22.049 ( -2.740 -0.309 -1.177) 2.998 22.222 ( 17.196 -5.503 2.757) 18.265 22.538 ( -20.016 -6.718 -2.654) 21.280 27.369 ( 22.344 2.371 -3.596) 22.756 27.835 ( -17.307 10.136 2.122) 20.169 30.467 ( 23.477 -29.107 0.369) 37.397 30.887 ( -14.716 -40.063 4.946) 42.966 33.090 ( 12.278 33.766 8.981) 37.034 33.199 ( -9.992 26.516 -2.650) 28.460 ======================= Grid point 62 (34/120) ======================= q-point: ( 0.62 -0.05 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.332 ( -3.018 5.340 -11.042) 12.632 4.504 ( 4.369 15.890 -7.619) 18.155 4.929 ( -1.827 7.717 4.387) 9.063 5.182 ( 12.422 5.584 10.027) 16.913 6.116 ( -5.657 -0.475 -0.016) 5.677 6.225 ( -5.553 2.270 10.038) 11.694 6.399 ( -18.165 -7.015 -11.617) 22.675 6.993 ( -3.107 -8.756 -10.736) 14.198 7.057 ( 18.957 -12.028 4.802) 22.959 7.503 ( 12.795 -3.040 14.697) 19.722 8.667 ( -57.354 1.733 0.440) 57.382 9.760 ( 49.750 13.007 -2.022) 51.462 12.959 ( -59.627 -4.789 -2.363) 59.866 13.944 ( 26.201 3.631 1.755) 26.510 14.425 ( 1.549 0.846 -9.334) 9.499 14.563 ( -4.262 2.876 8.485) 9.921 15.461 ( -20.367 -3.308 2.432) 20.777 16.301 ( 54.211 18.601 -1.961) 57.347 17.540 ( -8.194 1.513 -18.066) 19.895 18.089 ( 8.369 -0.079 16.263) 18.290 21.906 ( -13.214 -1.428 -2.702) 13.563 22.069 ( -1.411 0.089 0.223) 1.431 22.140 ( -2.966 -0.303 0.233) 2.991 22.406 ( 17.537 -9.886 1.555) 20.192 27.527 ( -21.920 1.966 4.755) 22.516 27.882 ( 19.821 -1.516 -4.059) 20.289 29.784 ( -15.407 -22.816 -3.046) 27.699 30.184 ( 13.318 -34.457 4.665) 37.234 33.472 ( -18.799 29.539 -10.713) 36.616 33.968 ( 6.275 26.733 11.000) 29.581 ======================= Grid point 64 (35/120) ======================= q-point: ( 0.62 -0.05 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( -3.146 3.146 -12.917) 13.662 4.674 ( -15.038 15.038 1.603) 21.327 5.086 ( -3.939 3.939 -2.003) 5.919 5.547 ( -0.470 0.470 37.526) 37.532 5.729 ( 4.600 -4.600 -12.882) 14.432 6.102 ( -10.349 10.349 8.386) 16.868 6.293 ( -3.296 3.296 -3.862) 6.053 6.786 ( -1.346 1.346 -17.430) 17.534 7.186 ( 18.966 -18.966 4.876) 27.261 7.618 ( 9.866 -9.866 16.297) 21.454 8.000 ( -27.468 27.468 -0.520) 38.849 10.806 ( 29.656 -29.656 -4.307) 42.160 11.894 ( -42.405 42.405 -1.072) 59.979 14.398 ( -31.628 31.628 0.560) 44.732 14.447 ( 1.202 -1.202 -10.733) 10.867 14.558 ( -7.329 7.329 7.558) 12.828 15.084 ( 34.982 -34.982 2.792) 49.550 17.231 ( 22.541 -22.541 -1.818) 31.929 17.407 ( -5.352 5.352 -18.529) 20.015 18.171 ( 4.390 -4.390 16.178) 17.329 21.706 ( -9.628 9.628 -1.640) 13.714 22.038 ( -2.075 2.075 -1.219) 3.178 22.165 ( 0.019 -0.019 0.809) 0.809 22.509 ( 14.616 -14.616 0.878) 20.689 27.200 ( -7.385 7.385 9.891) 14.385 28.083 ( 11.389 -11.389 -14.652) 21.774 29.482 ( -1.794 1.794 6.602) 7.072 29.888 ( 20.528 -20.528 0.192) 29.032 33.583 ( -25.136 25.136 -12.073) 37.542 34.309 ( -10.302 10.302 9.533) 17.411 ======================= Grid point 68 (36/120) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 39.589 0.000) 39.589 1.627 ( -0.000 78.954 0.000) 78.954 2.091 ( -0.000 100.926 0.000) 100.926 3.877 ( 0.000 -16.379 -0.000) 16.379 4.124 ( -0.000 3.580 0.000) 3.580 5.472 ( -0.000 19.860 0.000) 19.860 5.597 ( 0.000 -5.835 -0.000) 5.835 6.324 ( -0.000 2.756 0.000) 2.756 6.890 ( -0.000 5.741 0.000) 5.741 6.897 ( -0.000 6.187 0.000) 6.187 7.528 ( -0.000 9.225 0.000) 9.225 8.293 ( -0.000 29.776 0.000) 29.776 9.475 ( -0.000 11.975 0.000) 11.975 15.299 ( 0.000 -13.208 -0.000) 13.208 15.411 ( 0.000 -3.228 -0.000) 3.228 17.136 ( 0.000 -1.664 -0.000) 1.664 17.316 ( 0.000 -18.218 -0.000) 18.218 17.607 ( -0.000 11.114 0.000) 11.114 18.212 ( 0.000 -60.274 -0.000) 60.274 18.456 ( 0.000 -23.406 -0.000) 23.406 20.578 ( -0.000 46.610 0.000) 46.610 21.899 ( -0.000 1.722 0.000) 1.722 22.242 ( 0.000 -1.370 -0.000) 1.370 24.589 ( 0.000 -55.765 -0.000) 55.765 26.057 ( -0.000 9.300 0.000) 9.300 26.965 ( -0.000 52.212 0.000) 52.212 29.184 ( -0.000 5.461 0.000) 5.461 32.346 ( -0.000 1.038 0.000) 1.038 33.500 ( 0.000 -9.720 -0.000) 9.720 34.141 ( 0.000 -3.032 -0.000) 3.032 ======================= Grid point 69 (37/120) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 18.636 34.305 0.000) 39.041 2.550 ( -18.029 75.154 0.000) 77.286 3.328 ( -18.788 -10.703 0.000) 21.623 4.439 ( 14.686 8.340 -0.000) 16.889 4.905 ( 58.347 62.266 0.000) 85.331 5.398 ( -4.410 -7.200 -0.000) 8.443 5.967 ( 8.358 15.051 0.000) 17.216 6.450 ( 3.096 7.146 0.000) 7.788 7.074 ( 1.786 6.709 0.000) 6.943 7.083 ( 3.040 9.081 0.000) 9.576 7.559 ( -15.758 16.199 0.000) 22.599 9.312 ( 36.696 28.236 -0.000) 46.302 10.327 ( 22.808 48.104 0.000) 53.237 14.856 ( -10.034 -15.924 -0.000) 18.822 15.344 ( 1.560 -5.291 -0.000) 5.516 16.205 ( -55.570 -59.223 -0.000) 81.212 16.642 ( -15.616 -31.295 -0.000) 34.975 17.061 ( -2.281 -3.346 -0.000) 4.050 17.951 ( 6.730 13.250 0.000) 14.861 18.107 ( 15.977 -37.471 -0.000) 40.735 21.355 ( -1.652 29.524 0.000) 29.570 21.947 ( 0.707 2.765 0.000) 2.854 22.198 ( -0.174 -2.632 -0.000) 2.638 23.589 ( -7.339 -39.840 -0.000) 40.510 26.291 ( -2.064 18.544 0.000) 18.658 28.100 ( 32.825 17.949 -0.000) 37.412 29.363 ( -8.921 21.755 0.000) 23.513 31.861 ( -36.182 -13.298 0.000) 38.548 33.408 ( 10.952 -6.191 -0.000) 12.580 34.242 ( 13.977 -3.752 -0.000) 14.472 ======================= Grid point 70 (38/120) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -3.199 11.364 0.000) 11.806 2.964 ( 7.583 18.448 0.000) 19.946 3.798 ( 7.905 51.594 0.000) 52.196 4.944 ( 14.580 10.483 -0.000) 17.957 5.184 ( -3.228 -4.737 -0.000) 5.733 6.327 ( 7.046 4.768 -0.000) 8.507 6.599 ( 28.101 23.242 -0.000) 36.468 6.712 ( 2.833 11.541 0.000) 11.883 7.113 ( -6.054 -0.517 0.000) 6.076 7.320 ( 1.871 7.984 0.000) 8.200 7.768 ( -3.614 29.477 0.000) 29.698 10.569 ( 49.815 -9.837 -0.000) 50.777 11.886 ( -0.525 63.226 0.000) 63.228 14.376 ( -15.669 -20.425 -0.000) 25.743 14.399 ( -7.480 -9.985 -0.000) 12.476 15.272 ( 2.373 -5.470 -0.000) 5.962 15.550 ( -26.274 -30.173 -0.000) 40.009 16.926 ( -3.256 -4.136 -0.000) 5.264 17.516 ( 5.795 -43.327 -0.000) 43.712 18.326 ( 6.481 9.821 0.000) 11.766 21.749 ( -2.595 16.192 0.000) 16.399 22.044 ( 2.736 3.146 0.000) 4.169 22.132 ( -0.380 -3.477 -0.000) 3.498 22.738 ( -12.134 -23.562 -0.000) 26.503 26.637 ( -3.319 19.478 0.000) 19.759 28.758 ( 29.493 -16.029 -0.000) 33.567 29.684 ( -13.918 29.466 0.000) 32.587 30.543 ( -47.541 -27.057 0.000) 54.701 33.608 ( 14.512 -2.201 -0.000) 14.678 34.540 ( 17.569 1.599 -0.000) 17.642 ======================= Grid point 71 (39/120) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -15.286 9.008 0.000) 17.743 3.840 ( 16.963 20.069 0.000) 26.278 4.712 ( 5.379 24.199 0.000) 24.790 5.108 ( 6.991 -0.971 -0.000) 7.058 5.434 ( 7.796 12.355 0.000) 14.609 6.384 ( -1.592 -9.020 -0.000) 9.160 6.845 ( -10.420 -3.509 0.000) 10.995 6.888 ( -4.500 9.905 0.000) 10.879 7.300 ( 14.004 7.718 -0.000) 15.990 7.445 ( -1.667 4.465 0.000) 4.766 8.628 ( 8.819 43.817 0.000) 44.696 10.053 ( -4.644 -57.749 -0.000) 57.936 13.057 ( 6.772 56.269 0.000) 56.675 13.975 ( -2.012 -48.910 -0.000) 48.952 14.181 ( -2.082 -3.002 -0.000) 3.654 15.227 ( 3.676 -4.991 -0.000) 6.199 15.540 ( 11.627 48.786 0.000) 50.153 16.640 ( -1.857 -45.233 -0.000) 45.271 16.789 ( -2.399 -3.150 -0.000) 3.959 18.580 ( 3.505 5.194 0.000) 6.266 21.973 ( -0.481 9.296 0.000) 9.308 22.042 ( 1.866 -5.680 -0.000) 5.979 22.162 ( 2.196 2.120 -0.000) 3.052 22.234 ( -5.091 -7.701 -0.000) 9.232 26.895 ( -8.347 17.378 0.000) 19.278 28.484 ( -12.015 -35.888 -0.000) 37.846 29.344 ( -23.665 3.320 0.000) 23.897 29.936 ( -0.917 4.619 0.000) 4.709 33.829 ( 13.260 -4.758 -0.000) 14.087 34.934 ( 14.728 2.449 -0.000) 14.930 ======================= Grid point 72 (40/120) ======================= q-point: ( 0.06 -0.06 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -13.103 13.103 0.000) 18.530 4.205 ( -1.494 1.494 0.000) 2.113 4.999 ( -5.974 5.974 0.000) 8.448 5.316 ( 10.367 -10.367 -0.000) 14.661 5.762 ( -10.108 10.108 0.000) 14.294 5.981 ( 2.557 -2.557 -0.000) 3.616 6.737 ( -0.030 0.030 0.000) 0.043 6.942 ( -8.729 8.729 0.000) 12.344 7.465 ( -3.129 3.129 0.000) 4.426 7.536 ( 3.610 -3.610 -0.000) 5.105 9.280 ( 22.766 -22.766 -0.000) 32.196 9.324 ( -20.747 20.747 0.000) 29.341 13.246 ( 22.262 -22.262 -0.000) 31.484 13.940 ( -20.133 20.133 0.000) 28.473 14.141 ( 0.229 -0.229 -0.000) 0.324 15.215 ( 4.542 -4.542 -0.000) 6.423 15.984 ( 24.060 -24.060 -0.000) 34.026 16.282 ( -17.062 17.062 0.000) 24.129 16.729 ( 0.330 -0.330 -0.000) 0.466 18.668 ( -0.589 0.589 0.000) 0.833 21.988 ( 4.654 -4.654 -0.000) 6.582 22.037 ( 0.683 -0.683 -0.000) 0.967 22.180 ( -2.998 2.998 0.000) 4.240 22.223 ( 0.271 -0.271 -0.000) 0.383 26.988 ( -13.826 13.826 0.000) 19.553 27.793 ( 2.644 -2.644 -0.000) 3.739 29.230 ( -7.939 7.939 0.000) 11.228 29.963 ( 2.456 -2.456 -0.000) 3.473 33.918 ( 9.306 -9.306 -0.000) 13.161 35.123 ( 5.457 -5.457 -0.000) 7.717 ======================= Grid point 78 (41/120) ======================= q-point: ( 0.49 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( 0.000 4.996 9.242) 10.506 4.194 ( -0.000 -0.885 -4.261) 4.352 4.830 ( -0.000 0.799 -2.100) 2.247 5.055 ( -0.000 11.283 -11.446) 16.072 6.086 ( -0.000 -17.520 -6.576) 18.713 6.121 ( 0.000 2.673 10.182) 10.527 6.576 ( 0.000 -20.657 10.988) 23.397 7.241 ( 0.000 13.752 4.277) 14.402 7.400 ( -0.000 3.785 -3.775) 5.346 7.468 ( -0.000 18.406 -15.295) 23.931 8.847 ( 0.000 -31.315 0.968) 31.330 9.148 ( 0.000 -5.464 0.015) 5.464 12.823 ( 0.000 -92.600 0.776) 92.603 14.385 ( 0.000 0.427 7.692) 7.703 14.498 ( -0.000 -2.476 -5.342) 5.888 14.659 ( -0.000 86.527 -0.431) 86.528 15.329 ( 0.000 5.987 1.602) 6.197 15.600 ( -0.000 27.784 -1.474) 27.823 17.474 ( 0.000 -11.154 17.507) 20.758 18.075 ( -0.000 11.773 -15.820) 19.720 21.965 ( 0.000 -6.760 2.812) 7.321 22.067 ( -0.000 2.348 -0.353) 2.375 22.215 ( 0.000 -18.782 2.648) 18.967 22.691 ( -0.000 19.942 -3.876) 20.315 27.365 ( 0.000 -18.577 -1.536) 18.641 27.749 ( -0.000 18.751 -1.612) 18.820 30.978 ( -0.000 -32.398 -7.365) 33.224 31.055 ( 0.000 -2.549 14.890) 15.106 32.769 ( 0.000 11.748 3.016) 12.129 32.811 ( -0.000 -1.766 -10.821) 10.964 ======================= Grid point 80 (42/120) ======================= q-point: (-0.51 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.128 ( 4.582 -14.253 -7.750) 16.858 4.253 ( 5.166 -0.664 -4.472) 6.865 4.914 ( 0.322 7.058 -4.749) 8.513 5.285 ( 3.812 7.210 -19.491) 21.129 5.726 ( 6.386 -20.299 -5.343) 21.940 6.093 ( -1.714 -8.309 0.930) 8.535 6.230 ( -0.150 -7.054 7.516) 10.309 6.987 ( -15.195 -19.681 -1.823) 24.932 7.496 ( 3.810 0.011 -3.375) 5.090 7.883 ( -13.099 -27.004 5.916) 30.590 8.009 ( -7.935 31.290 -14.353) 35.328 9.322 ( 48.852 -23.589 2.740) 54.318 11.229 ( 19.973 -85.828 2.450) 88.155 14.414 ( -1.179 2.400 6.420) 6.955 14.468 ( 0.463 0.018 3.106) 3.141 14.988 ( -48.650 42.960 2.810) 64.964 16.179 ( -14.310 39.403 -3.859) 42.098 16.869 ( 27.530 47.811 4.245) 55.333 17.338 ( 7.647 -0.221 13.969) 15.927 18.304 ( -1.739 11.523 -14.011) 18.224 21.585 ( -2.598 -25.050 4.740) 25.627 21.990 ( 0.226 -3.819 0.250) 3.833 22.121 ( 1.449 1.059 0.381) 1.834 23.045 ( -8.820 25.410 -2.354) 27.000 27.040 ( 3.749 -18.690 -5.204) 19.760 28.099 ( 4.806 6.830 -0.495) 8.366 29.839 ( -23.401 -27.514 2.521) 36.207 30.857 ( -6.767 -12.246 6.006) 15.226 32.626 ( 5.930 -9.189 3.648) 11.529 33.505 ( 27.345 4.553 -5.943) 28.351 ======================= Grid point 81 (43/120) ======================= q-point: (-0.51 -0.06 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 21.186 -21.186 -18.339) 35.129 4.307 ( 2.057 -2.057 -7.535) 8.077 5.034 ( -1.279 1.279 2.660) 3.217 5.416 ( 8.472 -8.472 -28.979) 31.358 5.659 ( 6.603 -6.603 -12.432) 15.548 5.820 ( 0.374 -0.374 6.694) 6.715 6.265 ( -2.085 2.085 -5.141) 5.926 6.437 ( 14.008 -14.008 10.209) 22.286 7.420 ( 1.855 -1.855 8.783) 9.167 7.648 ( -0.072 0.072 -5.241) 5.241 8.257 ( -21.219 21.219 -15.182) 33.630 10.056 ( 57.183 -57.183 6.778) 81.152 10.120 ( 44.281 -44.281 0.972) 62.630 14.416 ( -2.437 2.437 0.448) 3.475 14.492 ( -1.123 1.123 12.168) 12.271 14.922 ( -48.709 48.709 3.260) 68.962 16.447 ( -31.184 31.184 -4.153) 44.295 17.155 ( 6.831 -6.831 15.961) 18.656 18.007 ( -15.420 15.420 1.554) 21.862 18.403 ( -7.635 7.635 -12.994) 16.894 21.223 ( 15.202 -15.202 3.465) 21.776 21.959 ( 1.698 -1.698 0.521) 2.457 22.150 ( 0.697 -0.697 0.607) 1.158 23.267 ( -22.607 22.607 -0.516) 31.975 26.834 ( 10.278 -10.278 -8.682) 16.931 28.135 ( 7.167 -7.167 7.681) 12.717 29.398 ( 2.252 -2.252 -4.209) 5.279 30.583 ( -1.670 1.670 4.550) 5.127 32.605 ( 14.668 -14.668 7.253) 21.975 33.840 ( 11.802 -11.802 -5.702) 17.638 ======================= Grid point 86 (44/120) ======================= q-point: ( 0.49 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( -16.141 16.507 16.281) 28.250 4.244 ( -25.421 8.884 11.405) 29.244 4.607 ( 5.998 4.214 35.516) 36.265 5.073 ( -2.268 3.819 3.000) 5.359 5.805 ( -16.430 10.422 0.029) 19.457 6.126 ( -7.799 -4.841 -11.963) 15.079 6.395 ( -7.636 2.055 -7.985) 11.238 7.002 ( -15.761 4.262 -9.439) 18.859 7.269 ( 18.177 -10.170 31.292) 37.590 7.438 ( 14.023 -7.937 3.372) 16.463 7.805 ( -26.437 -2.529 -1.753) 26.615 10.427 ( 6.776 52.049 -2.988) 52.573 11.678 ( -72.428 8.953 -3.623) 73.069 14.180 ( 14.679 -16.746 -2.466) 22.405 14.438 ( 5.681 -4.859 2.122) 7.771 14.723 ( 3.347 -0.083 -13.091) 13.512 15.677 ( 33.613 -27.396 3.483) 43.503 17.368 ( 40.277 10.378 -4.178) 41.802 17.735 ( -5.701 1.739 -13.593) 14.843 17.893 ( 8.717 -3.989 17.599) 20.040 21.638 ( -17.807 0.963 -2.934) 18.072 22.020 ( -2.930 1.817 -0.684) 3.515 22.146 ( 1.672 0.644 0.269) 1.812 22.780 ( 22.823 -13.427 1.153) 26.505 26.935 ( -18.689 0.330 8.215) 20.418 28.387 ( 9.594 12.833 -10.801) 19.323 29.508 ( -16.829 -14.726 -1.031) 22.386 30.420 ( 16.168 -32.750 -0.508) 36.527 33.334 ( -23.837 29.896 -17.708) 42.137 33.838 ( -1.085 19.136 6.574) 20.263 ======================= Grid point 89 (45/120) ======================= q-point: (-0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.000 0.000 -34.126) 34.126 0.701 ( -0.000 0.000 -34.126) 34.126 1.448 ( -0.000 0.000 -67.255) 67.255 4.225 ( -0.000 0.000 -12.253) 12.253 4.225 ( -0.000 0.000 -12.253) 12.253 5.386 ( -0.000 0.000 -14.501) 14.501 6.231 ( 0.000 -0.000 6.205) 6.205 6.739 ( 0.000 -0.000 7.935) 7.935 6.739 ( 0.000 -0.000 7.935) 7.935 7.488 ( -0.000 0.000 -3.955) 3.955 7.488 ( -0.000 0.000 -3.955) 3.955 7.946 ( 0.000 -0.000 1.486) 1.486 10.001 ( 0.000 -0.000 1.599) 1.599 15.367 ( 0.000 -0.000 7.049) 7.049 15.367 ( 0.000 -0.000 7.049) 7.049 17.425 ( 0.000 -0.000 5.595) 5.595 17.535 ( -0.000 0.000 -2.999) 2.999 18.675 ( 0.000 -0.000 1.099) 1.099 18.675 ( 0.000 -0.000 1.099) 1.099 19.206 ( 0.000 -0.000 1.573) 1.573 19.760 ( 0.000 -0.000 1.110) 1.110 21.881 ( -0.000 0.000 -0.044) 0.044 22.244 ( 0.000 -0.000 1.104) 1.104 25.705 ( 0.000 -0.000 1.288) 1.288 25.894 ( -0.000 0.000 -3.074) 3.074 25.894 ( -0.000 0.000 -3.074) 3.074 29.154 ( -0.000 0.000 -0.929) 0.929 29.154 ( -0.000 0.000 -0.929) 0.929 32.352 ( -0.000 0.000 -1.724) 1.724 33.596 ( 0.000 -0.000 0.218) 0.218 ======================= Grid point 91 (46/120) ======================= q-point: (-0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 22.709 22.709 -27.532) 42.301 2.894 ( 38.258 38.258 -7.927) 54.682 3.264 ( -11.329 -11.329 -24.042) 28.892 4.769 ( 10.876 10.876 -4.807) 16.114 5.574 ( 17.293 17.293 -4.073) 24.793 5.971 ( 4.071 4.071 -25.457) 26.100 6.299 ( 13.681 13.681 -6.332) 20.358 6.469 ( 5.617 5.617 6.734) 10.414 7.086 ( 7.791 7.791 7.147) 13.133 7.187 ( 2.545 2.545 -7.600) 8.409 7.487 ( 3.643 3.643 -3.888) 6.454 10.189 ( 43.731 43.731 0.695) 61.849 10.758 ( 36.224 36.224 9.490) 52.101 14.596 ( -11.514 -11.514 2.669) 16.501 15.085 ( -50.402 -50.402 1.471) 71.294 15.267 ( -1.812 -1.812 7.108) 7.556 16.210 ( -29.183 -29.183 -1.988) 41.319 17.197 ( -5.997 -5.997 -16.749) 18.774 18.047 ( 9.721 9.721 7.103) 15.474 18.112 ( -15.359 -15.359 0.952) 21.742 21.434 ( 11.861 11.861 1.913) 16.882 21.981 ( 2.556 2.556 0.123) 3.617 22.180 ( -1.332 -1.332 0.206) 1.895 23.246 ( -24.236 -24.236 -0.098) 34.275 26.384 ( 8.779 8.779 -3.455) 12.888 28.746 ( 25.418 25.418 6.143) 36.468 29.216 ( 0.460 0.460 -1.168) 1.337 31.085 ( -31.193 -31.193 6.201) 44.547 33.589 ( 5.665 5.665 -1.543) 8.158 34.040 ( 18.280 18.280 33.661) 42.442 ======================= Grid point 92 (47/120) ======================= q-point: (-0.07 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -5.179 -5.179 -31.198) 32.046 3.563 ( 22.949 22.949 -15.884) 36.134 4.231 ( 25.869 25.869 -4.652) 36.878 5.202 ( 10.076 10.076 0.354) 14.253 5.448 ( -4.301 -4.301 -27.451) 28.117 6.394 ( 5.136 5.136 4.162) 8.371 6.646 ( 2.636 2.636 9.567) 10.268 6.869 ( 5.337 5.337 7.035) 10.318 7.109 ( -0.710 -0.710 -2.869) 3.039 7.370 ( 4.178 4.178 0.632) 5.942 7.960 ( 21.963 21.963 -0.620) 31.067 11.044 ( -30.585 -30.585 1.991) 43.299 11.960 ( 42.679 42.679 0.597) 60.360 14.275 ( -4.946 -4.946 -0.912) 7.054 14.568 ( 30.092 30.092 3.881) 42.733 14.917 ( -33.411 -33.411 -1.119) 47.263 15.208 ( -1.297 -1.297 7.207) 7.437 17.004 ( -3.999 -3.999 -13.000) 14.177 17.332 ( -22.862 -22.862 0.768) 32.341 18.380 ( 6.560 6.560 7.450) 11.898 21.790 ( 6.928 6.928 0.620) 9.818 22.100 ( 2.758 2.758 0.429) 3.924 22.119 ( -1.300 -1.300 -0.369) 1.875 22.468 ( -13.934 -13.934 -0.259) 19.707 26.693 ( 6.165 6.165 -3.805) 9.513 29.149 ( -18.337 -18.337 11.052) 28.189 29.210 ( -0.661 -0.661 -1.669) 1.912 29.896 ( -11.377 -11.377 0.378) 16.095 33.847 ( 6.235 6.235 -2.913) 9.287 34.656 ( 13.101 13.101 13.733) 23.063 ======================= Grid point 93 (48/120) ======================= q-point: (-0.07 -0.07 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -1.156 -1.156 -33.732) 33.771 4.290 ( 10.029 10.029 -16.114) 21.467 4.895 ( 7.716 7.716 -3.301) 11.400 5.517 ( 4.662 4.662 2.796) 7.161 5.518 ( 8.935 8.935 -18.206) 22.162 6.270 ( -13.543 -13.543 -6.195) 20.129 6.663 ( -1.540 -1.540 7.992) 8.283 6.700 ( 0.451 0.451 11.963) 11.980 7.381 ( 5.559 5.559 11.293) 13.760 7.450 ( 0.596 0.596 -0.755) 1.132 8.926 ( 18.702 18.702 -1.247) 26.477 9.729 ( -22.249 -22.249 2.241) 31.545 13.386 ( 21.279 21.279 0.064) 30.093 13.769 ( -16.317 -16.317 -0.217) 23.077 14.175 ( -0.752 -0.752 -2.261) 2.499 15.176 ( -0.474 -0.474 7.961) 7.989 15.876 ( 21.809 21.809 0.294) 30.845 16.428 ( -17.788 -17.788 0.248) 25.158 16.874 ( -2.282 -2.282 -11.318) 11.769 18.558 ( 2.246 2.246 7.521) 8.164 22.014 ( 2.724 2.724 -0.385) 3.871 22.062 ( -0.837 -0.837 -0.777) 1.416 22.156 ( -1.501 -1.501 0.586) 2.202 22.201 ( 1.453 1.453 0.783) 2.199 26.860 ( 2.094 2.094 -4.048) 5.016 27.997 ( -21.487 -21.487 4.989) 30.794 29.181 ( -0.514 -0.514 -2.127) 2.247 29.903 ( 1.469 1.469 5.979) 6.330 34.031 ( 2.495 2.495 -4.029) 5.355 35.048 ( 5.484 5.484 7.408) 10.725 ======================= Grid point 98 (49/120) ======================= q-point: ( 0.37 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 0.000 18.094 21.183) 27.859 4.044 ( 0.000 5.349 11.949) 13.092 4.747 ( 0.000 5.709 3.431) 6.660 4.910 ( -0.000 24.052 -7.264) 25.125 5.757 ( 0.000 8.610 12.726) 15.365 6.394 ( 0.000 -5.164 1.150) 5.291 6.486 ( 0.000 -4.132 21.855) 22.242 6.796 ( -0.000 20.802 -2.181) 20.916 7.403 ( -0.000 2.138 -1.454) 2.586 7.415 ( -0.000 11.153 -3.786) 11.778 8.923 ( -0.000 26.348 -1.880) 26.415 9.235 ( -0.000 -2.405 -3.212) 4.013 12.923 ( -0.000 88.429 -3.759) 88.509 14.353 ( 0.000 -7.205 1.213) 7.306 14.653 ( 0.000 -86.900 0.103) 86.900 14.766 ( -0.000 -7.518 -8.418) 11.286 15.392 ( -0.000 -7.356 -1.118) 7.440 15.569 ( 0.000 -29.342 0.023) 29.342 17.320 ( 0.000 -10.580 17.280) 20.262 18.147 ( -0.000 11.716 -12.331) 17.009 22.028 ( -0.000 2.720 -0.593) 2.784 22.030 ( 0.000 -4.943 1.297) 5.110 22.383 ( -0.000 20.180 -4.096) 20.592 22.549 ( 0.000 -20.017 2.279) 20.147 27.319 ( -0.000 24.420 0.535) 24.426 27.704 ( 0.000 -13.855 0.509) 13.865 30.694 ( 0.000 18.589 4.956) 19.239 31.786 ( -0.000 -25.223 -14.656) 29.172 32.521 ( 0.000 5.485 3.443) 6.476 33.124 ( -0.000 -1.172 -15.802) 15.845 ======================= Grid point 99 (50/120) ======================= q-point: ( 0.37 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 8.020 12.689 13.382) 20.109 4.140 ( -5.144 11.197 7.641) 14.499 4.889 ( 3.636 3.359 -2.106) 5.380 5.299 ( -0.602 16.197 -7.300) 17.776 5.849 ( 4.994 -2.027 16.915) 17.753 6.192 ( 1.362 -11.158 4.171) 11.989 6.464 ( 3.570 -6.392 -6.045) 9.494 7.131 ( -7.873 9.373 -2.732) 12.542 7.356 ( -9.463 9.920 -3.229) 14.085 7.719 ( 2.042 16.369 -4.526) 17.106 8.710 ( -6.527 -49.166 -0.007) 49.597 9.413 ( 17.653 15.995 -0.612) 23.829 12.903 ( 6.082 -79.222 0.465) 79.456 14.191 ( -19.853 26.725 -0.133) 33.292 14.277 ( -5.971 8.190 4.523) 11.099 14.650 ( 3.498 -7.788 -5.860) 10.355 15.596 ( -3.393 16.362 -2.206) 16.854 15.782 ( 29.766 43.432 0.263) 52.654 17.137 ( 1.571 -8.370 15.634) 17.803 18.373 ( 0.746 9.331 -11.352) 14.714 21.875 ( -1.692 -11.831 3.256) 12.387 22.083 ( 0.692 0.751 -0.471) 1.125 22.151 ( -1.966 -12.192 0.675) 12.368 22.661 ( -9.686 19.214 -2.537) 21.666 27.447 ( 4.359 -12.246 0.075) 12.999 27.865 ( 6.021 15.339 -3.110) 16.769 30.292 ( -33.098 -22.584 4.380) 40.307 30.977 ( -26.037 -0.970 -5.185) 26.566 32.773 ( 18.164 -13.242 3.704) 22.781 33.590 ( 33.290 4.288 -11.254) 35.401 ======================= Grid point 100 (51/120) ======================= q-point: (-0.63 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( -9.481 11.865 10.309) 18.356 4.401 ( 11.556 -1.205 1.559) 11.723 4.944 ( 3.274 -3.560 2.686) 5.533 5.584 ( -0.045 12.609 -1.536) 12.702 5.809 ( 7.417 -13.464 8.720) 17.673 6.208 ( 2.021 4.232 -5.753) 7.423 6.385 ( 8.445 -7.013 -17.420) 20.590 6.735 ( -16.065 -12.585 -6.193) 21.327 7.473 ( -1.123 0.742 1.081) 1.727 7.639 ( -1.220 -25.912 3.694) 26.203 8.051 ( -9.164 18.393 -4.870) 21.119 10.339 ( 50.435 5.965 1.045) 50.797 11.576 ( 10.090 -73.514 1.259) 74.214 14.119 ( -15.401 11.092 0.673) 18.991 14.264 ( -0.807 0.908 7.309) 7.409 14.596 ( 4.921 -6.251 -4.248) 9.018 15.817 ( -28.535 35.345 -2.626) 45.502 16.940 ( 5.180 -0.588 12.382) 13.435 17.388 ( 4.885 37.932 2.643) 38.336 18.519 ( -2.102 5.831 -10.164) 11.905 21.519 ( 4.347 -18.522 2.299) 19.164 21.990 ( 0.661 -2.920 0.616) 3.057 22.154 ( 1.952 0.008 -0.098) 1.954 22.828 ( -14.910 21.411 -0.957) 26.109 27.268 ( 6.320 -15.173 -5.994) 17.495 28.023 ( -8.381 2.966 4.892) 10.147 29.566 ( -1.350 -5.149 -2.646) 5.945 30.456 ( -28.543 6.700 -1.579) 29.361 32.845 ( 24.795 -22.597 6.314) 34.136 34.166 ( 22.054 -6.186 -7.573) 24.125 ======================= Grid point 105 (52/120) ======================= q-point: ( 0.37 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -34.400 34.400 14.801) 50.851 3.286 ( -14.802 14.802 35.825) 41.492 3.907 ( 6.121 -6.121 34.570) 35.638 4.897 ( -6.927 6.927 6.600) 11.813 5.468 ( -26.088 26.088 -5.265) 37.268 6.273 ( -4.385 4.385 -11.163) 12.769 6.353 ( -7.996 7.996 -1.007) 11.353 6.816 ( 13.634 -13.634 40.518) 44.872 6.902 ( -10.430 10.430 -9.906) 17.769 7.421 ( 0.613 -0.613 14.143) 14.169 7.552 ( -2.521 2.521 1.741) 3.967 10.169 ( -43.893 43.893 -1.141) 62.085 10.509 ( -42.209 42.209 -12.859) 61.063 14.523 ( 9.747 -9.747 -3.788) 14.295 15.044 ( 50.629 -50.629 -2.298) 71.638 15.057 ( 1.880 -1.880 -12.172) 12.459 16.270 ( 29.685 -29.685 3.547) 42.130 17.615 ( 8.290 -8.290 19.161) 22.463 17.840 ( -8.020 8.020 -10.514) 15.466 18.083 ( 15.320 -15.320 -1.661) 21.729 21.377 ( -12.977 12.977 -3.255) 18.639 21.977 ( -2.350 2.350 -0.271) 3.335 22.174 ( 0.821 -0.821 -0.409) 1.231 23.250 ( 23.626 -23.626 0.245) 33.414 26.490 ( -9.067 9.067 6.427) 14.343 28.564 ( -20.760 20.760 -10.441) 31.160 29.253 ( -0.777 0.777 2.357) 2.601 30.908 ( 23.045 -23.045 -9.580) 33.969 33.315 ( -27.257 27.257 -29.622) 48.614 33.642 ( -7.734 7.734 3.130) 11.376 ======================= Grid point 107 (53/120) ======================= q-point: (-0.20 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -0.000 -53.510 -22.600) 58.087 2.254 ( -0.000 -50.983 -25.054) 56.807 3.039 ( -0.000 -26.070 -52.608) 58.714 4.460 ( -0.000 9.173 -22.280) 24.094 4.646 ( -0.000 -7.158 -18.984) 20.289 5.921 ( -0.000 -10.774 -17.899) 20.892 6.074 ( 0.000 -3.240 10.907) 11.378 6.609 ( 0.000 -8.567 10.891) 13.856 6.660 ( 0.000 -12.819 9.566) 15.995 7.475 ( -0.000 9.586 -14.632) 17.492 7.650 ( -0.000 -7.645 -3.332) 8.340 8.256 ( 0.000 -32.092 1.760) 32.140 9.631 ( -0.000 21.055 -0.206) 21.056 15.045 ( 0.000 10.152 10.904) 14.898 15.128 ( 0.000 2.721 12.282) 12.580 17.359 ( 0.000 -9.328 10.658) 14.163 17.432 ( -0.000 18.931 -5.056) 19.594 17.899 ( -0.000 47.603 -1.612) 47.630 18.411 ( -0.000 23.383 1.990) 23.468 18.692 ( -0.000 42.875 -12.700) 44.717 20.369 ( 0.000 -46.347 5.594) 46.684 21.896 ( 0.000 -1.389 0.009) 1.389 22.203 ( 0.000 0.800 1.701) 1.879 24.627 ( -0.000 54.753 -1.494) 54.774 26.139 ( -0.000 -12.170 -4.467) 12.964 27.012 ( 0.000 -52.260 -2.202) 52.307 29.217 ( -0.000 -4.784 -1.454) 5.000 30.148 ( 0.000 -75.073 36.386) 83.426 32.422 ( -0.000 -1.370 -3.516) 3.773 33.526 ( -0.000 6.178 0.370) 6.189 ======================= Grid point 110 (54/120) ======================= q-point: (-0.20 -0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 17.985 18.472 -26.351) 36.865 3.808 ( -2.556 -6.359 -36.481) 37.119 4.000 ( 42.566 9.998 -9.725) 44.793 5.024 ( 5.466 8.705 -2.560) 10.593 5.879 ( 13.966 13.733 3.446) 19.888 6.397 ( 8.331 -1.227 12.473) 15.050 6.509 ( -12.077 -8.072 -33.144) 36.188 6.539 ( 8.334 6.725 2.768) 11.061 7.184 ( 14.935 5.344 6.647) 17.199 7.334 ( -8.228 -5.284 -6.278) 11.620 7.814 ( 26.198 -3.861 -0.739) 26.491 10.493 ( -8.278 51.249 3.050) 52.003 11.764 ( 69.377 5.701 4.342) 69.746 14.245 ( -16.022 -15.748 3.648) 22.760 14.413 ( -10.142 -8.317 -0.482) 13.125 14.994 ( -4.379 0.818 11.733) 12.550 15.610 ( -32.315 -26.774 -2.736) 42.054 17.382 ( -26.884 4.155 -8.066) 28.374 17.528 ( -24.754 -0.908 -8.934) 26.333 18.039 ( 9.780 5.027 12.518) 16.662 21.695 ( 17.104 -0.808 2.363) 17.285 22.033 ( 3.039 2.306 0.505) 3.848 22.140 ( -2.572 0.091 -0.303) 2.592 22.758 ( -23.311 -12.737 -0.884) 26.578 26.778 ( 19.124 -1.696 -6.342) 20.220 28.597 ( -13.586 23.875 8.201) 28.668 29.563 ( 24.252 -18.727 3.840) 30.880 30.451 ( -21.633 -38.760 2.390) 44.453 33.687 ( 2.824 16.028 0.464) 16.281 33.815 ( 15.534 29.440 18.981) 38.318 ======================= Grid point 111 (55/120) ======================= q-point: (-0.20 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 1.665 -3.967 -41.979) 42.198 4.354 ( 15.888 20.045 -18.364) 31.488 4.847 ( 21.400 7.615 -6.017) 23.498 5.288 ( 2.490 8.766 3.484) 9.756 6.015 ( -2.761 -2.081 -28.464) 28.673 6.340 ( -0.371 3.209 8.419) 9.018 6.475 ( 8.484 -7.354 15.504) 19.143 6.765 ( -5.315 -12.087 0.116) 13.204 6.957 ( -5.816 4.837 8.448) 11.340 7.434 ( 7.878 -1.719 5.513) 9.767 8.679 ( 45.865 8.741 -2.299) 46.747 9.980 ( -57.737 -6.033 3.201) 58.139 13.027 ( 56.386 7.830 1.360) 56.943 13.994 ( -48.765 -0.661 -1.026) 48.780 14.272 ( -1.524 -1.253 -4.763) 5.155 14.941 ( -3.996 1.696 11.771) 12.546 15.487 ( 51.526 12.450 0.753) 53.014 16.598 ( -45.705 0.106 1.651) 45.735 17.264 ( -5.092 -3.207 -18.373) 19.333 18.281 ( 6.137 2.371 13.411) 14.938 21.965 ( 10.547 0.920 0.503) 10.599 22.074 ( -5.182 1.501 -1.349) 5.561 22.139 ( 2.439 1.606 0.971) 3.078 22.227 ( -9.323 -5.623 0.141) 10.888 27.061 ( 18.061 -7.941 -7.583) 21.137 28.245 ( -32.426 -13.160 10.881) 36.648 29.389 ( 5.392 -18.106 -2.449) 19.049 29.769 ( -0.167 -5.060 5.684) 7.612 33.980 ( -3.620 14.441 -7.032) 16.465 34.575 ( 8.592 18.853 13.979) 24.993 ======================= Grid point 112 (56/120) ======================= q-point: (-0.20 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 3.176 -3.176 -43.375) 43.607 4.780 ( -5.131 5.131 -19.468) 20.777 5.158 ( 7.077 -7.077 -8.629) 13.214 5.413 ( -5.420 5.420 2.836) 8.173 6.111 ( -0.921 0.921 7.685) 7.794 6.210 ( 4.572 -4.572 -24.326) 25.170 6.383 ( -3.010 3.010 5.825) 7.214 6.491 ( 9.040 -9.040 19.484) 23.304 7.064 ( -5.122 5.122 13.491) 15.312 7.496 ( 6.673 -6.673 5.901) 11.130 9.199 ( -21.528 21.528 3.480) 30.644 9.394 ( 21.710 -21.710 -3.146) 30.863 13.285 ( -23.354 23.354 -1.654) 33.069 13.892 ( 20.167 -20.167 1.949) 28.587 14.258 ( 0.545 -0.545 -5.929) 5.978 14.909 ( -2.998 2.998 12.209) 12.924 15.967 ( -24.717 24.717 1.064) 34.971 16.315 ( 17.064 -17.064 -1.445) 24.176 17.147 ( -1.175 1.175 -17.516) 17.595 18.366 ( 1.703 -1.703 13.622) 13.833 22.007 ( -4.964 4.964 -0.799) 7.065 22.070 ( -0.812 0.812 -1.429) 1.833 22.155 ( 3.502 -3.502 1.000) 5.052 22.191 ( -0.037 0.037 1.393) 1.394 27.166 ( 14.598 -14.598 -8.166) 22.201 27.605 ( -2.634 2.634 8.387) 9.177 29.307 ( 6.296 -6.296 -3.741) 9.658 29.728 ( -1.463 1.463 9.089) 9.322 34.092 ( -9.401 9.401 -8.070) 15.552 34.858 ( -4.785 4.785 10.972) 12.891 ======================= Grid point 117 (57/120) ======================= q-point: ( 0.24 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 29.163 23.473) 37.436 3.644 ( 0.000 2.585 13.062) 13.316 4.309 ( -0.000 46.104 -0.708) 46.109 4.485 ( 0.000 11.029 4.185) 11.796 5.207 ( -0.000 33.388 2.939) 33.517 5.891 ( 0.000 0.213 35.295) 35.296 6.231 ( 0.000 7.957 7.767) 11.120 6.558 ( -0.000 13.401 -5.510) 14.489 7.237 ( -0.000 12.527 -3.161) 12.920 7.262 ( 0.000 9.295 2.196) 9.551 8.346 ( -0.000 30.118 -0.302) 30.119 9.179 ( -0.000 13.340 -4.997) 14.246 11.326 ( -0.000 79.079 -5.183) 79.249 14.597 ( -0.000 -15.001 -2.209) 15.163 15.098 ( -0.000 -8.546 -5.950) 10.414 15.938 ( 0.000 -42.341 -0.890) 42.350 16.033 ( 0.000 -48.459 2.243) 48.511 16.527 ( 0.000 -62.953 -2.213) 62.992 17.171 ( 0.000 -8.737 14.771) 17.162 18.099 ( -0.000 13.672 -6.681) 15.217 21.945 ( -0.000 14.006 -1.722) 14.111 22.046 ( -0.000 15.024 -1.997) 15.157 22.114 ( 0.000 -4.755 0.143) 4.757 22.962 ( 0.000 -26.410 1.328) 26.443 26.793 ( -0.000 24.427 1.483) 24.472 27.880 ( 0.000 -4.237 0.981) 4.349 30.101 ( -0.000 32.930 0.862) 32.941 32.403 ( 0.000 1.028 2.065) 2.307 32.603 ( -0.000 -23.251 -14.781) 27.551 33.547 ( -0.000 1.272 -25.179) 25.212 ======================= Grid point 118 (58/120) ======================= q-point: ( 0.24 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( 9.433 25.651 15.030) 31.191 3.609 ( -15.055 13.887 13.445) 24.500 4.772 ( 0.208 19.141 -4.248) 19.608 4.952 ( -0.644 22.756 1.899) 22.844 5.438 ( 2.276 -2.737 22.623) 22.901 6.201 ( 3.098 1.353 1.075) 3.548 6.499 ( 17.058 8.606 2.411) 19.258 6.906 ( 0.450 18.887 -6.463) 19.968 7.319 ( -8.055 2.867 0.184) 8.552 7.496 ( 0.620 11.712 -1.253) 11.795 8.791 ( -11.678 39.348 -0.395) 41.046 9.515 ( 17.803 -23.008 -1.559) 29.134 13.109 ( 8.011 72.972 -2.920) 73.468 14.208 ( -27.940 -47.747 -0.550) 55.324 14.311 ( -3.251 -9.613 0.572) 10.164 14.963 ( 4.454 -9.932 -4.909) 11.941 15.403 ( -0.379 -9.701 0.569) 9.725 15.990 ( 28.169 -46.043 -1.881) 54.009 17.002 ( -0.816 -7.191 11.322) 13.437 18.374 ( 2.296 10.386 -6.578) 12.507 21.994 ( -0.535 -5.960 1.000) 6.067 22.051 ( 1.056 2.874 -0.413) 3.090 22.333 ( -10.458 17.343 -1.648) 20.319 22.468 ( -4.399 -18.100 0.651) 18.638 27.239 ( -5.131 22.589 1.771) 23.231 27.944 ( 20.093 -10.842 -1.853) 22.907 30.397 ( -18.558 8.701 1.391) 20.544 31.202 ( -52.682 -11.336 -5.358) 54.153 32.992 ( 28.244 -14.167 1.862) 31.653 33.835 ( 28.126 -0.576 -15.072) 31.915 ======================= Grid point 119 (59/120) ======================= q-point: ( 0.24 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -19.657 19.921 15.735) 32.107 4.050 ( 13.083 18.047 8.532) 23.867 4.970 ( 4.332 -3.003 3.741) 6.464 5.308 ( -5.478 17.793 0.587) 18.626 5.631 ( 6.400 11.332 10.318) 16.608 6.155 ( 5.531 -9.486 3.168) 11.428 6.876 ( 11.111 -3.872 -9.118) 14.885 7.018 ( -13.540 -1.044 -6.787) 15.182 7.265 ( -8.243 17.538 -8.134) 21.017 7.726 ( -2.253 12.438 3.666) 13.161 8.674 ( 4.089 -61.369 0.038) 61.505 9.704 ( 8.432 48.266 0.601) 49.001 12.893 ( -5.047 -59.974 0.730) 60.191 14.016 ( 5.105 22.332 -1.162) 22.938 14.175 ( -0.232 -2.239 2.625) 3.458 14.879 ( 7.341 -10.096 -4.584) 13.297 15.546 ( -3.622 -19.670 -1.180) 20.035 16.301 ( 17.561 51.242 -1.901) 54.201 16.872 ( 0.266 -3.813 10.932) 11.581 18.578 ( 1.079 6.103 -6.060) 8.668 21.811 ( 1.148 -13.506 1.358) 13.622 22.068 ( -2.249 -5.379 0.081) 5.831 22.153 ( 2.177 -0.309 -0.231) 2.211 22.463 ( -11.782 16.987 -0.821) 20.689 27.458 ( -1.210 6.939 2.646) 7.524 28.015 ( -2.766 -9.577 -4.020) 10.749 29.725 ( -16.334 -10.336 0.340) 19.332 30.387 ( -35.742 7.426 -3.522) 36.675 33.184 ( 26.327 -19.857 3.156) 33.126 34.409 ( 26.332 -2.398 -7.228) 27.411 ======================= Grid point 120 (60/120) ======================= q-point: ( 0.24 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -21.500 21.500 15.998) 34.357 4.399 ( -0.953 0.953 7.802) 7.918 4.987 ( 8.448 -8.448 4.428) 12.742 5.438 ( -11.325 11.325 2.411) 16.197 5.810 ( 9.195 -9.195 6.010) 14.326 6.196 ( -7.555 7.555 6.139) 12.322 6.649 ( -2.134 2.134 -13.336) 13.674 7.038 ( 8.466 -8.466 -12.958) 17.642 7.369 ( -14.703 14.703 -9.188) 22.732 7.844 ( -9.883 9.883 5.343) 14.964 7.950 ( 36.656 -36.656 1.178) 51.853 10.664 ( -31.402 31.402 1.919) 44.451 11.862 ( 41.952 -41.952 0.392) 59.331 14.156 ( 0.333 -0.333 3.069) 3.105 14.442 ( 38.239 -38.239 -0.892) 54.085 14.852 ( 9.541 -9.541 -4.317) 14.167 15.175 ( -36.054 36.054 -1.186) 51.001 16.779 ( 2.588 -2.588 8.586) 9.334 17.175 ( -22.820 22.820 0.672) 32.279 18.651 ( -2.056 2.056 -5.861) 6.543 21.651 ( 10.928 -10.928 0.742) 15.472 21.997 ( 1.539 -1.539 0.580) 2.252 22.191 ( 1.039 -1.039 -0.347) 1.510 22.540 ( -14.535 14.535 -0.435) 20.561 27.530 ( 8.020 -8.020 -4.463) 12.189 27.675 ( -12.463 12.463 4.595) 18.215 29.748 ( 4.666 -4.666 -4.369) 7.914 29.898 ( -23.200 23.200 -0.193) 32.810 33.251 ( 24.426 -24.426 3.739) 34.746 34.664 ( 13.288 -13.288 -5.340) 19.537 ======================= Grid point 127 (61/120) ======================= q-point: (-0.33 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( -0.000 -38.388 -13.703) 40.760 3.517 ( -0.000 -22.371 -24.351) 33.067 4.499 ( -0.000 -23.426 -33.720) 41.059 4.796 ( -0.000 8.132 -21.913) 23.373 5.185 ( -0.000 -8.474 -13.207) 15.692 5.967 ( 0.000 -10.092 9.018) 13.534 6.289 ( 0.000 -4.379 1.609) 4.665 6.782 ( 0.000 -22.112 -2.077) 22.210 6.915 ( 0.000 -21.046 -0.350) 21.049 7.790 ( -0.000 -11.328 -14.639) 18.510 7.893 ( 0.000 -12.716 0.966) 12.753 8.697 ( 0.000 7.296 1.659) 7.483 9.631 ( 0.000 -50.397 6.986) 50.879 14.630 ( 0.000 8.304 7.873) 11.443 14.769 ( 0.000 4.299 13.857) 14.508 16.839 ( -0.000 53.195 2.706) 53.264 16.999 ( -0.000 34.110 -4.934) 34.465 17.271 ( 0.000 -2.418 13.632) 13.844 17.663 ( -0.000 41.050 3.325) 41.184 18.359 ( -0.000 22.754 -15.102) 27.309 21.095 ( 0.000 -37.964 6.300) 38.483 21.932 ( 0.000 -2.336 0.187) 2.343 22.149 ( 0.000 1.150 1.363) 1.784 23.717 ( -0.000 39.621 -2.620) 39.708 26.541 ( -0.000 -16.538 -5.518) 17.434 27.856 ( -0.000 -21.866 -3.716) 22.180 29.505 ( 0.000 -24.260 -1.087) 24.284 30.593 ( 0.000 -43.566 29.307) 52.506 32.557 ( -0.000 -2.253 -5.827) 6.247 33.339 ( -0.000 11.491 0.423) 11.499 ======================= Grid point 128 (62/120) ======================= q-point: (-0.33 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 16.152 -16.152 -31.599) 38.990 3.428 ( 29.111 -29.111 -21.632) 46.506 4.286 ( 11.636 -11.636 -43.766) 46.757 4.976 ( 0.093 -0.093 -13.781) 13.782 5.047 ( 2.847 -2.847 -25.229) 25.549 5.857 ( 4.105 -4.105 11.652) 13.018 6.249 ( -0.732 0.732 -7.658) 7.728 6.330 ( 4.724 -4.724 14.074) 15.579 6.866 ( 25.614 -25.614 -4.623) 36.517 7.570 ( -1.640 1.640 1.074) 2.556 7.879 ( 12.964 -12.964 -8.344) 20.143 8.553 ( 32.353 -32.353 2.121) 45.803 9.413 ( -14.003 14.003 4.765) 20.369 14.710 ( -6.348 6.348 10.868) 14.097 14.834 ( -1.177 1.177 14.568) 14.663 17.156 ( -16.284 16.284 9.589) 24.946 17.219 ( -27.542 27.542 6.832) 39.545 17.363 ( -18.739 18.739 -5.873) 27.144 18.478 ( -6.372 6.372 2.006) 9.232 18.639 ( -18.225 18.225 -10.230) 27.730 20.529 ( 24.641 -24.641 4.687) 35.161 21.907 ( 1.073 -1.073 -0.001) 1.517 22.163 ( -0.016 0.016 1.827) 1.827 24.325 ( -30.883 30.883 0.021) 43.675 26.285 ( 7.565 -7.565 -7.300) 12.952 27.449 ( 30.195 -30.195 -1.441) 42.726 29.257 ( 1.344 -1.344 -2.546) 3.177 30.080 ( 33.535 -33.535 18.908) 51.055 32.504 ( -0.263 0.263 -3.303) 3.324 33.519 ( -0.186 0.186 -0.378) 0.461 ======================= Grid point 131 (63/120) ======================= q-point: (-0.33 -0.10 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 11.512 14.552 -11.606) 21.885 4.431 ( -5.693 8.193 -20.420) 22.727 4.787 ( 19.436 6.385 -5.651) 21.224 5.069 ( -2.009 6.394 2.021) 7.001 6.069 ( 8.883 4.182 -1.021) 9.871 6.270 ( 3.217 -4.486 11.164) 12.454 6.622 ( 16.334 -3.554 8.218) 18.627 6.815 ( -22.100 -11.355 -19.942) 31.859 7.195 ( -9.907 -6.674 -7.720) 14.223 7.273 ( 9.409 -2.225 10.190) 14.047 8.653 ( 54.122 -0.864 -0.943) 54.137 9.808 ( -50.215 15.071 2.392) 52.482 13.015 ( 59.400 -5.435 2.819) 59.715 13.914 ( -29.388 2.801 -0.998) 29.538 14.402 ( 0.470 0.450 -6.404) 6.437 14.650 ( -4.105 1.919 11.396) 12.264 15.414 ( 21.283 -2.370 -1.738) 21.485 16.354 ( -55.067 18.377 2.820) 58.121 17.710 ( -8.502 -0.754 -18.790) 20.638 17.915 ( 8.910 2.297 16.506) 18.897 21.960 ( 12.230 -2.795 2.265) 12.748 22.059 ( -2.213 1.455 -0.653) 2.728 22.138 ( 5.708 -2.147 0.090) 6.099 22.376 ( -17.102 -8.465 -1.136) 19.116 27.375 ( 24.048 -3.001 -8.064) 25.541 28.036 ( -22.529 6.849 8.899) 25.173 29.875 ( 17.612 -27.005 5.481) 32.703 30.100 ( -15.780 -33.752 -3.119) 37.389 33.725 ( 7.433 26.801 4.721) 28.210 33.773 ( -0.544 28.993 1.198) 29.022 ======================= Grid point 132 (64/120) ======================= q-point: ( 0.67 -0.10 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( -5.534 6.645 -25.395) 26.827 4.842 ( 1.367 16.702 -8.082) 18.605 5.126 ( -2.182 10.630 5.820) 12.314 5.310 ( 14.805 7.355 8.760) 18.709 5.926 ( -14.218 -17.463 6.652) 23.481 6.215 ( 1.508 -4.743 15.677) 16.448 6.395 ( -6.690 5.892 -12.531) 15.378 6.832 ( 11.412 -6.604 5.614) 14.330 6.849 ( -3.628 -7.137 -16.685) 18.507 7.406 ( 10.643 -6.320 15.238) 19.632 8.795 ( -49.826 11.186 2.661) 51.136 9.816 ( 56.795 -8.657 -3.983) 57.589 12.957 ( -55.717 9.278 -1.681) 56.509 14.064 ( 48.201 0.533 2.052) 48.248 14.437 ( 2.346 0.023 -9.719) 9.999 14.612 ( -3.131 1.478 10.634) 11.184 15.523 ( -54.012 12.551 1.873) 55.483 16.512 ( 45.771 1.619 -1.948) 45.841 17.547 ( -6.966 -0.438 -19.093) 20.329 18.071 ( 5.617 -1.753 17.131) 18.114 21.925 ( -11.357 3.513 -1.264) 11.955 22.082 ( -1.458 1.096 -1.214) 2.191 22.147 ( 1.597 0.651 1.493) 2.281 22.239 ( 11.492 -6.468 0.713) 13.206 27.470 ( -19.576 -6.358 9.531) 22.683 27.712 ( 22.904 -14.829 -11.039) 29.434 29.523 ( -1.053 -5.394 0.527) 5.521 29.643 ( 5.071 -17.152 3.260) 18.181 33.991 ( -14.897 21.221 -11.327) 28.294 34.402 ( 1.087 16.180 11.542) 19.904 ======================= Grid point 138 (65/120) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.000 38.214 0.000) 38.214 3.118 ( -0.000 68.431 0.000) 68.431 3.581 ( 0.000 -10.886 -0.000) 10.886 3.970 ( -0.000 84.234 0.000) 84.234 4.233 ( -0.000 7.309 0.000) 7.309 5.449 ( 0.000 -8.344 -0.000) 8.344 5.875 ( -0.000 18.039 0.000) 18.039 6.419 ( -0.000 6.984 0.000) 6.984 7.051 ( -0.000 9.970 0.000) 9.970 7.055 ( -0.000 8.997 0.000) 8.997 7.823 ( -0.000 20.512 0.000) 20.512 8.891 ( -0.000 23.298 0.000) 23.298 10.053 ( -0.000 50.216 0.000) 50.216 14.973 ( 0.000 -17.958 -0.000) 17.958 15.315 ( 0.000 -6.271 -0.000) 6.271 16.798 ( 0.000 -32.775 -0.000) 32.775 16.997 ( 0.000 -58.789 -0.000) 58.789 17.086 ( 0.000 -3.343 -0.000) 3.343 17.728 ( 0.000 -49.153 -0.000) 49.153 17.879 ( -0.000 14.842 0.000) 14.842 21.413 ( -0.000 35.978 0.000) 35.978 21.947 ( -0.000 2.974 0.000) 2.974 22.197 ( 0.000 -3.207 -0.000) 3.207 23.611 ( 0.000 -40.841 -0.000) 40.841 26.336 ( -0.000 18.350 0.000) 18.350 27.734 ( -0.000 21.355 0.000) 21.355 29.467 ( -0.000 24.789 0.000) 24.789 32.367 ( -0.000 0.836 0.000) 0.836 33.210 ( 0.000 -19.195 -0.000) 19.195 34.049 ( 0.000 -6.197 -0.000) 6.197 ======================= Grid point 139 (66/120) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 13.582 33.530 0.000) 36.176 3.244 ( -19.575 3.099 0.000) 19.819 3.942 ( -20.949 60.583 0.000) 64.103 4.625 ( 16.093 10.428 -0.000) 19.177 5.249 ( -2.825 -7.230 -0.000) 7.762 5.921 ( 37.436 38.597 0.000) 53.770 6.195 ( 5.329 6.521 0.000) 8.422 6.651 ( 2.921 13.173 0.000) 13.493 7.204 ( -3.167 6.142 0.000) 6.911 7.290 ( 1.199 11.062 0.000) 11.127 8.043 ( -20.576 32.079 0.000) 38.111 9.672 ( 36.732 7.676 -0.000) 37.526 11.618 ( 19.165 75.072 0.000) 77.480 14.547 ( -6.540 -14.183 -0.000) 15.619 15.114 ( -49.040 -47.819 0.000) 68.495 15.206 ( 3.582 -8.300 -0.000) 9.040 15.940 ( -12.534 -36.352 -0.000) 38.452 16.981 ( -2.068 -4.661 -0.000) 5.099 17.130 ( 30.917 -57.103 -0.000) 64.935 18.215 ( 4.180 12.622 0.000) 13.296 21.885 ( -8.727 21.209 0.000) 22.934 22.011 ( -0.176 3.662 0.000) 3.667 22.133 ( 0.373 -2.622 -0.000) 2.648 22.912 ( -4.701 -27.464 -0.000) 27.863 26.727 ( -4.426 24.329 0.000) 24.728 28.162 ( 26.121 -6.962 -0.000) 27.033 29.953 ( -12.113 30.735 0.000) 33.036 31.562 ( -51.372 -16.286 0.000) 53.891 33.235 ( 23.343 -11.087 -0.000) 25.843 34.137 ( 20.318 -6.139 -0.000) 21.225 ======================= Grid point 140 (67/120) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -21.225 15.303 0.000) 26.166 3.479 ( 16.953 26.458 0.000) 31.424 4.702 ( -5.450 36.952 0.000) 37.352 5.019 ( 3.997 -4.253 -0.000) 5.836 5.244 ( 9.698 12.404 0.000) 15.745 6.318 ( 5.878 -6.059 -0.000) 8.441 6.885 ( 13.453 8.673 -0.000) 16.006 7.029 ( 5.422 17.659 0.000) 18.473 7.098 ( -12.760 -0.681 0.000) 12.778 7.484 ( -1.821 8.083 0.000) 8.285 8.592 ( -5.408 50.311 0.000) 50.601 9.907 ( 16.699 -50.760 -0.000) 53.436 13.138 ( -9.383 57.803 0.000) 58.559 13.917 ( 1.116 -38.394 -0.000) 38.411 14.236 ( -3.333 -6.212 -0.000) 7.050 15.129 ( 5.783 -8.692 -0.000) 10.441 15.416 ( 2.199 25.709 0.000) 25.803 16.487 ( 16.750 -55.271 -0.000) 57.754 16.838 ( -2.306 -4.589 -0.000) 5.136 18.506 ( 3.597 7.993 0.000) 8.765 21.987 ( 0.914 -3.267 -0.000) 3.393 22.060 ( -2.931 5.327 0.000) 6.080 22.150 ( -4.263 7.585 0.000) 8.701 22.354 ( -6.218 -13.478 -0.000) 14.843 27.078 ( -8.484 22.595 0.000) 24.135 28.389 ( 17.184 -19.257 -0.000) 25.810 30.001 ( -22.130 -12.804 0.000) 25.567 30.225 ( -42.499 10.008 0.000) 43.662 33.471 ( 21.876 -11.565 -0.000) 24.744 34.542 ( 24.073 -1.207 -0.000) 24.103 ======================= Grid point 141 (68/120) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -22.334 20.968 0.000) 30.634 4.160 ( 6.523 11.594 0.000) 13.303 5.062 ( 11.682 -4.316 -0.000) 12.454 5.119 ( -6.675 16.726 0.000) 18.009 5.712 ( 7.502 13.778 0.000) 15.688 6.139 ( -6.141 -12.076 -0.000) 13.548 6.801 ( -8.688 -1.721 0.000) 8.857 7.112 ( -4.205 9.763 0.000) 10.630 7.409 ( 5.668 5.321 -0.000) 7.774 7.547 ( -4.717 5.593 0.000) 7.317 8.884 ( 15.892 -53.062 -0.000) 55.390 9.668 ( -10.910 53.528 0.000) 54.628 12.896 ( 9.594 -54.540 -0.000) 55.377 14.141 ( -0.153 -1.224 -0.000) 1.233 14.166 ( 0.268 49.728 0.000) 49.729 15.090 ( 7.553 -8.475 -0.000) 11.352 15.600 ( 10.726 -54.460 -0.000) 55.506 16.490 ( -2.078 42.500 0.000) 42.550 16.732 ( -0.487 -2.545 -0.000) 2.591 18.665 ( 0.754 3.292 0.000) 3.377 21.871 ( 5.664 -10.631 -0.000) 12.046 22.035 ( -0.589 -2.627 -0.000) 2.692 22.201 ( 1.800 0.560 -0.000) 1.885 22.277 ( -7.050 11.628 0.000) 13.598 27.282 ( -12.685 19.093 0.000) 22.923 27.895 ( -10.210 -21.956 -0.000) 24.214 29.478 ( -14.233 12.193 0.000) 18.742 29.954 ( -7.009 -3.436 0.000) 7.806 33.621 ( 19.864 -15.806 -0.000) 25.385 34.909 ( 15.840 -5.099 -0.000) 16.641 ======================= Grid point 147 (69/120) ======================= q-point: (-0.45 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 0.000 -9.248 0.009) 9.248 4.174 ( -0.000 -2.727 -13.451) 13.724 4.922 ( -0.000 7.956 -6.269) 10.129 5.246 ( -0.000 7.288 -18.648) 20.022 5.658 ( -0.000 -22.534 -7.863) 23.866 6.100 ( 0.000 -4.826 6.448) 8.054 6.235 ( 0.000 -11.761 5.334) 12.914 7.272 ( -0.000 -5.036 -3.942) 6.395 7.351 ( -0.000 -13.338 -7.700) 15.401 8.089 ( -0.000 35.027 -11.068) 36.734 8.166 ( 0.000 -28.390 5.807) 28.978 8.653 ( 0.000 -39.398 4.241) 39.626 11.010 ( 0.000 -86.203 2.315) 86.234 14.421 ( 0.000 2.868 10.670) 11.049 14.460 ( 0.000 -0.608 0.211) 0.644 15.814 ( -0.000 39.667 2.465) 39.743 16.267 ( -0.000 66.769 3.707) 66.872 16.324 ( -0.000 44.809 -5.120) 45.100 17.264 ( 0.000 -8.917 15.670) 18.029 18.321 ( -0.000 13.078 -13.676) 18.923 21.621 ( 0.000 -27.101 5.795) 27.714 21.990 ( 0.000 -4.544 0.129) 4.546 22.104 ( 0.000 1.307 0.560) 1.422 23.136 ( -0.000 25.700 -3.236) 25.903 26.997 ( -0.000 -17.771 -4.055) 18.227 28.039 ( -0.000 8.257 -3.677) 9.038 30.223 ( 0.000 -40.177 -2.490) 40.254 30.758 ( 0.000 -24.977 18.776) 31.248 32.766 ( -0.000 -3.042 -9.123) 9.617 33.057 ( -0.000 15.243 0.541) 15.252 ======================= Grid point 148 (70/120) ======================= q-point: (-0.45 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 0.590 -28.290 -20.907) 35.182 4.183 ( 10.764 -8.885 -12.577) 18.788 5.057 ( -1.992 6.369 -1.748) 6.899 5.276 ( 3.525 -8.715 -28.530) 30.039 5.501 ( 7.879 0.776 -10.545) 13.186 5.869 ( -1.947 -11.293 -0.995) 11.503 6.190 ( 4.097 -2.831 6.580) 8.252 6.489 ( -14.326 -18.981 -2.929) 23.960 7.405 ( 10.006 -5.583 -1.272) 11.528 7.604 ( -3.029 -11.629 0.181) 12.019 8.440 ( 19.966 -14.419 -12.023) 27.406 8.831 ( 27.731 3.254 8.933) 29.316 9.640 ( 15.791 -66.959 4.636) 68.952 14.446 ( -1.533 1.609 5.265) 5.714 14.500 ( 0.369 2.173 11.931) 12.132 16.015 ( -54.311 56.343 3.371) 78.330 16.937 ( -16.613 33.855 -4.485) 37.977 17.038 ( 4.217 -7.207 14.209) 16.481 17.976 ( 17.111 37.599 1.528) 41.337 18.547 ( -5.700 12.513 -10.009) 17.007 21.016 ( 5.311 -30.504 4.404) 31.274 21.935 ( 0.705 -1.985 0.231) 2.120 22.131 ( 1.021 -0.039 1.199) 1.576 23.641 ( -13.136 33.804 -1.182) 36.286 26.694 ( 3.845 -15.522 -6.999) 17.456 27.994 ( 5.258 -18.125 -0.066) 18.873 29.424 ( -5.067 -11.824 -1.697) 12.976 30.410 ( 17.189 -29.760 11.112) 36.119 32.543 ( -7.454 0.247 -1.419) 7.592 33.550 ( 15.873 0.218 -3.001) 16.156 ======================= Grid point 154 (71/120) ======================= q-point: ( 0.55 -0.12 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( -13.147 13.147 12.038) 22.150 4.551 ( -21.299 21.299 8.340) 31.255 4.668 ( -0.145 0.145 43.905) 43.906 5.144 ( -3.954 3.954 -2.665) 6.195 6.005 ( -8.679 8.679 -3.176) 12.678 6.045 ( 1.566 -1.566 -16.109) 16.261 6.492 ( -6.902 6.902 -10.328) 14.211 6.934 ( 19.288 -19.288 23.631) 36.090 7.113 ( -5.130 5.130 -12.618) 14.555 7.283 ( 10.008 -10.008 9.716) 17.168 7.999 ( -23.703 23.703 0.592) 33.526 10.900 ( 29.348 -29.348 -4.319) 41.729 11.918 ( -42.588 42.588 -1.190) 60.241 14.382 ( -6.807 6.807 2.641) 9.983 14.442 ( -26.702 26.702 1.356) 37.787 14.704 ( 2.352 -2.352 -12.959) 13.379 15.025 ( 33.642 -33.642 2.631) 47.650 17.271 ( 22.538 -22.538 -1.897) 31.930 17.742 ( 0.214 -0.214 5.153) 5.162 17.847 ( -1.256 1.256 -3.546) 3.966 21.741 ( -8.655 8.655 -1.580) 12.342 22.064 ( -2.452 2.452 -1.157) 3.655 22.147 ( 0.676 -0.676 0.843) 1.275 22.491 ( 14.495 -14.495 0.785) 20.515 26.990 ( -6.868 6.868 9.464) 13.562 28.438 ( 12.024 -12.024 -18.348) 25.016 29.355 ( -0.596 0.596 5.199) 5.267 29.886 ( 18.251 -18.251 -0.020) 25.810 33.877 ( -22.920 22.920 -14.429) 35.480 34.128 ( -9.452 9.452 6.209) 14.738 ======================= Grid point 168 (72/120) ======================= q-point: ( 0.42 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( 0.000 13.508 12.706) 18.545 4.207 ( 0.000 10.412 1.883) 10.581 4.855 ( -0.000 5.132 -0.065) 5.132 5.305 ( -0.000 15.560 -11.666) 19.447 5.795 ( 0.000 -0.306 19.870) 19.872 6.171 ( 0.000 -15.727 -0.035) 15.727 6.434 ( 0.000 -3.820 1.852) 4.246 7.203 ( -0.000 16.385 -1.841) 16.488 7.478 ( -0.000 4.728 -3.108) 5.658 7.677 ( -0.000 17.640 -4.720) 18.260 8.839 ( 0.000 -35.029 -0.072) 35.029 9.167 ( -0.000 -6.349 -1.442) 6.511 12.818 ( 0.000 -93.490 -0.164) 93.490 14.254 ( 0.000 -2.955 4.559) 5.433 14.613 ( -0.000 -7.706 -4.999) 9.185 14.676 ( -0.000 84.570 -1.309) 84.580 15.298 ( 0.000 4.823 1.311) 4.998 15.635 ( -0.000 29.020 -1.661) 29.068 17.120 ( 0.000 -9.427 15.180) 17.869 18.365 ( -0.000 10.149 -11.299) 15.188 21.896 ( 0.000 -10.507 3.375) 11.036 22.071 ( -0.000 1.589 -0.081) 1.591 22.179 ( 0.000 -15.731 0.903) 15.756 22.768 ( -0.000 19.159 -3.224) 19.429 27.398 ( 0.000 -15.996 -1.507) 16.066 27.786 ( -0.000 21.171 -1.697) 21.239 30.799 ( 0.000 -7.810 9.216) 12.081 31.121 ( -0.000 -39.361 -5.717) 39.774 32.729 ( -0.000 14.742 1.082) 14.782 33.075 ( -0.000 -4.081 -13.313) 13.925 ======================= Grid point 169 (73/120) ======================= q-point: (-0.58 -0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 7.699 2.520 3.089) 8.670 4.354 ( -4.955 8.475 -3.891) 10.560 4.924 ( -1.004 1.288 2.274) 2.800 5.566 ( 3.296 8.988 -7.457) 12.135 5.725 ( -1.861 -10.009 6.698) 12.186 6.081 ( 10.513 3.020 -0.556) 10.952 6.301 ( -0.157 -8.995 -12.447) 15.358 7.093 ( -18.663 -14.926 -7.894) 25.167 7.510 ( -3.329 -9.281 1.495) 9.973 7.755 ( -8.343 -19.933 4.961) 22.171 8.195 ( -4.098 24.436 -3.078) 24.968 9.296 ( 48.861 -26.565 -0.019) 55.615 11.195 ( 19.794 -87.123 0.843) 89.348 14.240 ( 0.666 0.816 7.001) 7.080 14.489 ( 1.456 -6.409 -2.018) 6.875 14.930 ( -48.949 41.809 2.492) 64.422 16.249 ( -14.098 39.884 -2.677) 42.387 16.775 ( 17.103 27.357 4.683) 32.601 17.087 ( 17.073 22.661 8.975) 29.759 18.550 ( -0.974 8.343 -9.149) 12.420 21.494 ( -0.963 -24.749 3.648) 25.035 21.986 ( -0.138 -4.090 0.170) 4.096 22.112 ( 1.862 0.308 0.372) 1.924 23.090 ( -10.151 24.480 -1.858) 26.566 27.138 ( 5.625 -15.993 -3.917) 17.400 28.122 ( -1.031 5.864 -1.511) 6.142 29.793 ( -21.813 -23.456 1.630) 32.073 30.777 ( 2.992 -19.848 1.992) 20.171 32.587 ( -5.055 -4.466 0.544) 6.767 33.638 ( 29.919 0.632 -6.305) 30.582 ======================= Grid point 170 (74/120) ======================= q-point: (-0.58 -0.13 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 12.411 -12.411 -10.912) 20.667 4.373 ( -6.849 6.849 -0.299) 9.691 4.925 ( -1.380 1.380 6.503) 6.789 5.566 ( 7.707 -7.707 5.139) 12.050 5.759 ( -3.449 3.449 -1.230) 5.030 6.172 ( 4.347 -4.347 -27.068) 27.757 6.268 ( 13.860 -13.860 5.107) 20.255 6.542 ( -3.269 3.269 -17.643) 18.239 7.173 ( 3.585 -3.585 14.250) 15.125 7.712 ( -3.245 3.245 -1.589) 4.857 8.444 ( -19.013 19.013 -2.703) 27.024 9.960 ( 61.961 -61.961 2.434) 87.660 10.103 ( 44.421 -44.421 0.612) 62.824 14.272 ( -0.309 0.309 8.340) 8.352 14.427 ( 2.121 -2.121 -1.275) 3.259 14.853 ( -47.936 47.936 3.172) 67.866 16.525 ( -31.799 31.799 -3.124) 45.078 16.849 ( 5.133 -5.133 12.342) 14.319 17.981 ( -15.622 15.622 0.901) 22.112 18.625 ( -4.860 4.860 -8.033) 10.572 21.158 ( 15.854 -15.854 2.600) 22.572 21.948 ( 1.384 -1.384 0.484) 2.016 22.138 ( 1.391 -1.391 0.508) 2.032 23.278 ( -22.373 22.373 -0.472) 31.643 27.005 ( 10.973 -10.973 -7.145) 17.084 28.008 ( 1.964 -1.964 4.388) 5.194 29.488 ( 3.353 -3.353 -4.040) 6.230 30.515 ( 3.797 -3.797 2.118) 5.772 32.499 ( 8.156 -8.156 3.171) 11.962 33.961 ( 14.105 -14.105 -5.367) 20.657 ======================= Grid point 177 (75/120) ======================= q-point: (-0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.000 0.000 -36.884) 36.884 1.457 ( -0.000 0.000 -36.884) 36.884 2.839 ( -0.000 0.000 -63.326) 63.326 4.567 ( -0.000 0.000 -18.779) 18.779 4.567 ( -0.000 0.000 -18.779) 18.779 5.801 ( -0.000 0.000 -23.296) 23.296 6.043 ( 0.000 -0.000 11.272) 11.272 6.522 ( 0.000 -0.000 12.061) 12.061 6.522 ( 0.000 -0.000 12.061) 12.061 7.573 ( -0.000 0.000 -3.468) 3.468 7.573 ( -0.000 0.000 -3.468) 3.468 7.901 ( 0.000 -0.000 2.691) 2.691 9.949 ( 0.000 -0.000 3.355) 3.355 15.156 ( 0.000 -0.000 12.439) 12.439 15.156 ( 0.000 -0.000 12.439) 12.439 17.257 ( 0.000 -0.000 9.823) 9.823 17.627 ( -0.000 0.000 -5.482) 5.482 18.641 ( 0.000 -0.000 2.001) 2.001 18.641 ( 0.000 -0.000 2.001) 2.001 19.159 ( 0.000 -0.000 2.806) 2.806 19.727 ( 0.000 -0.000 2.019) 2.019 21.883 ( -0.000 0.000 -0.079) 0.079 22.211 ( 0.000 -0.000 1.933) 1.933 25.666 ( 0.000 -0.000 2.337) 2.337 25.987 ( -0.000 0.000 -5.523) 5.523 25.987 ( -0.000 0.000 -5.523) 5.523 29.183 ( -0.000 0.000 -1.749) 1.749 29.183 ( -0.000 0.000 -1.749) 1.749 32.406 ( -0.000 0.000 -3.340) 3.340 33.589 ( 0.000 -0.000 0.390) 0.390 ======================= Grid point 180 (76/120) ======================= q-point: (-0.14 -0.14 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -2.940 -2.940 -43.543) 43.741 3.990 ( 19.437 19.437 -22.348) 35.426 4.369 ( 24.246 24.246 -8.019) 35.214 5.186 ( 7.133 7.133 1.282) 10.169 6.054 ( 2.485 2.485 -13.670) 14.115 6.361 ( -4.212 -4.212 -13.903) 15.126 6.381 ( 0.825 0.825 14.772) 14.818 6.698 ( 7.767 7.767 8.908) 14.142 7.170 ( -10.868 -10.868 -3.237) 15.707 7.308 ( 5.723 5.723 5.745) 9.925 7.979 ( 22.030 22.030 -1.062) 31.174 10.984 ( -29.780 -29.780 3.515) 42.262 11.942 ( 42.671 42.671 1.030) 60.354 14.311 ( -3.388 -3.388 -2.656) 5.478 14.482 ( 32.008 32.008 3.625) 45.411 14.932 ( -24.094 -24.094 2.893) 34.196 15.018 ( -11.301 -11.301 7.012) 17.452 17.308 ( -22.671 -22.671 1.485) 32.095 17.358 ( -4.800 -4.800 -19.151) 20.318 18.152 ( 6.400 6.400 13.689) 16.411 21.771 ( 7.674 7.674 1.192) 10.918 22.086 ( 2.775 2.775 0.873) 4.020 22.131 ( -1.204 -1.204 -0.702) 1.841 22.477 ( -14.227 -14.227 -0.542) 20.127 26.811 ( 6.430 6.430 -7.176) 11.584 28.832 ( -14.459 -14.459 17.809) 27.117 29.263 ( -0.206 -0.206 -3.419) 3.431 29.889 ( -15.182 -15.182 0.270) 21.473 33.935 ( 7.844 7.844 -4.996) 12.166 34.300 ( 18.867 18.867 17.835) 32.094 ======================= Grid point 181 (77/120) ======================= q-point: (-0.14 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( -0.403 -0.403 -46.647) 46.651 4.711 ( 13.023 13.023 -21.603) 28.388 4.994 ( 7.175 7.175 -5.818) 11.696 5.431 ( 4.141 4.141 5.180) 7.819 5.999 ( 2.467 2.467 -22.289) 22.560 6.371 ( -0.685 -0.685 18.407) 18.433 6.390 ( -3.580 -3.580 16.099) 16.876 6.466 ( -10.922 -10.922 -12.437) 19.831 7.088 ( 4.031 4.031 14.590) 15.664 7.410 ( 0.770 0.770 5.510) 5.617 8.966 ( 19.066 19.066 -2.504) 27.079 9.662 ( -22.421 -22.421 3.909) 31.948 13.380 ( 23.312 23.312 0.584) 32.973 13.779 ( -18.595 -18.595 -0.840) 26.310 14.254 ( -0.251 -0.251 -5.362) 5.374 14.950 ( -0.859 -0.859 12.615) 12.674 15.878 ( 23.696 23.696 -0.612) 33.517 16.416 ( -17.430 -17.430 0.967) 24.668 17.196 ( -3.251 -3.251 -18.113) 18.688 18.326 ( 2.164 2.164 14.075) 14.404 22.024 ( 3.572 3.572 -0.538) 5.081 22.085 ( -0.686 -0.686 -1.396) 1.700 22.140 ( -2.371 -2.371 0.798) 3.447 22.178 ( 1.314 1.314 1.415) 2.336 26.986 ( 2.201 2.201 -7.666) 8.273 27.843 ( -19.972 -19.972 9.282) 29.730 29.250 ( -0.291 -0.291 -4.371) 4.390 29.740 ( 0.178 0.178 8.688) 8.691 34.157 ( 2.932 2.932 -7.806) 8.839 34.835 ( 7.088 7.088 12.011) 15.644 ======================= Grid point 186 (78/120) ======================= q-point: ( 0.29 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 0.000 27.049 14.916) 30.889 3.800 ( 0.000 13.318 9.396) 16.299 4.689 ( 0.000 9.742 2.219) 9.992 5.077 ( -0.000 30.446 -7.443) 31.343 5.377 ( 0.000 -2.982 19.082) 19.314 6.208 ( 0.000 18.660 5.521) 19.459 6.262 ( 0.000 -4.842 8.324) 9.630 6.895 ( -0.000 20.002 -5.249) 20.679 7.414 ( -0.000 6.231 0.079) 6.231 7.478 ( -0.000 11.181 -1.879) 11.338 8.954 ( -0.000 26.191 -0.965) 26.209 9.296 ( -0.000 -6.101 -2.236) 6.498 13.002 ( -0.000 86.054 -3.193) 86.113 14.342 ( 0.000 -10.263 0.021) 10.263 14.650 ( 0.000 -85.465 0.126) 85.465 14.910 ( -0.000 -10.004 -4.765) 11.081 15.410 ( 0.000 -7.318 -0.520) 7.337 15.572 ( 0.000 -31.206 -0.208) 31.207 17.011 ( 0.000 -7.701 10.868) 13.320 18.350 ( -0.000 11.228 -6.605) 13.027 22.004 ( 0.000 -6.294 1.012) 6.374 22.037 ( -0.000 2.357 -0.254) 2.370 22.454 ( -0.000 19.236 -2.419) 19.387 22.514 ( 0.000 -19.387 1.009) 19.413 27.312 ( -0.000 26.431 0.151) 26.431 27.697 ( 0.000 -12.327 0.154) 12.328 30.615 ( 0.000 15.174 2.464) 15.373 32.007 ( -0.000 -35.214 -6.259) 35.766 32.471 ( 0.000 7.235 1.397) 7.369 33.493 ( -0.000 -5.928 -16.204) 17.255 ======================= Grid point 187 (79/120) ======================= q-point: ( 0.29 -0.15 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 5.219 20.344 9.369) 22.997 3.976 ( -12.475 21.244 6.527) 25.486 4.897 ( 3.863 -0.578 1.542) 4.199 5.387 ( -1.405 15.877 1.228) 15.986 5.547 ( 1.097 12.647 5.961) 14.025 6.068 ( 1.732 -10.646 6.186) 12.434 6.603 ( 13.071 1.114 -5.103) 14.076 7.266 ( -6.821 10.698 -8.387) 15.209 7.410 ( -7.889 10.198 -1.825) 13.022 7.730 ( 1.529 12.254 2.627) 12.625 8.713 ( -7.016 -50.646 -0.179) 51.130 9.427 ( 16.448 15.616 -0.568) 22.688 12.898 ( 4.999 -79.104 0.040) 79.262 14.177 ( -3.206 -0.419 1.275) 3.476 14.230 ( -22.993 29.591 0.311) 37.475 14.751 ( 4.962 -10.910 -3.379) 12.452 15.628 ( -3.099 18.188 -0.890) 18.471 15.796 ( 30.979 42.871 -1.162) 52.905 16.862 ( 0.449 -6.706 9.627) 11.741 18.557 ( 0.861 7.897 -5.867) 9.876 21.818 ( -1.199 -13.101 1.965) 13.302 22.090 ( 1.214 0.614 -0.215) 1.378 22.142 ( -1.920 -11.511 0.208) 11.671 22.704 ( -10.649 18.659 -1.415) 21.531 27.440 ( 1.528 -6.650 0.389) 6.834 27.928 ( 8.520 12.441 -2.393) 15.268 30.223 ( -30.202 -21.006 2.124) 36.851 31.071 ( -24.786 -7.166 -3.287) 26.010 32.721 ( 14.196 -11.280 1.422) 18.187 33.805 ( 32.329 -2.081 -8.089) 33.390 ======================= Grid point 188 (80/120) ======================= q-point: ( 0.29 -0.15 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -19.634 22.301 8.009) 30.773 4.324 ( 7.031 8.660 4.120) 11.891 4.861 ( 3.015 -5.756 4.539) 7.926 5.617 ( -0.997 3.615 0.394) 3.770 5.657 ( -0.535 -1.138 2.665) 2.947 6.176 ( 7.340 12.480 3.382) 14.868 6.765 ( 5.357 -6.375 -14.119) 16.392 6.944 ( -11.234 -6.725 -8.470) 15.593 7.435 ( 10.203 -38.053 2.204) 39.459 7.631 ( -6.925 0.557 -4.199) 8.118 8.039 ( -9.132 16.742 5.200) 19.768 10.325 ( 48.906 6.477 0.345) 49.334 11.558 ( 9.433 -73.021 0.505) 73.629 14.109 ( -13.475 9.020 0.222) 16.217 14.151 ( -1.376 0.450 3.451) 3.742 14.670 ( 8.202 -10.301 -2.496) 13.402 15.860 ( -28.790 35.744 -1.390) 45.918 16.729 ( 2.320 -3.800 6.995) 8.292 17.351 ( 6.192 42.746 1.014) 43.204 18.681 ( -1.002 4.192 -5.078) 6.661 21.480 ( 5.382 -18.559 1.264) 19.365 21.979 ( 0.244 -2.997 0.352) 3.027 22.155 ( 2.403 -0.498 -0.043) 2.455 22.844 ( -15.369 20.913 -0.531) 25.959 27.360 ( 8.617 -11.238 -2.707) 14.418 27.958 ( -14.150 -0.963 1.505) 14.263 29.617 ( 2.816 -2.010 -1.893) 3.944 30.487 ( -28.272 3.369 -1.175) 28.496 32.750 ( 22.245 -21.331 2.801) 30.946 34.300 ( 22.875 -8.628 -4.709) 24.898 ======================= Grid point 195 (81/120) ======================= q-point: (-0.27 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -0.000 -36.545 -28.509) 46.350 2.803 ( -0.000 -43.180 -27.447) 51.165 4.181 ( -0.000 -7.326 -52.394) 52.904 4.934 ( -0.000 4.932 -21.038) 21.609 5.054 ( -0.000 -5.763 -18.668) 19.537 5.816 ( 0.000 -4.919 12.530) 13.461 6.245 ( -0.000 -0.411 -1.642) 1.693 6.433 ( -0.000 -11.551 -4.712) 12.476 6.444 ( 0.000 -19.721 10.275) 22.237 7.639 ( -0.000 -3.288 -2.241) 3.979 7.694 ( 0.000 -7.450 -0.405) 7.461 8.214 ( 0.000 -34.973 2.039) 35.033 9.598 ( 0.000 21.699 3.009) 21.907 14.788 ( 0.000 6.562 12.819) 14.400 14.836 ( 0.000 2.288 14.654) 14.831 17.106 ( 0.000 -7.599 12.700) 14.800 17.554 ( -0.000 19.979 -6.274) 20.941 17.890 ( -0.000 49.507 1.636) 49.534 18.364 ( -0.000 23.311 2.361) 23.430 18.861 ( -0.000 24.067 -4.169) 24.426 20.264 ( 0.000 -42.787 4.304) 43.003 21.896 ( 0.000 -1.192 -0.031) 1.193 22.162 ( 0.000 0.291 2.059) 2.080 24.659 ( -0.000 53.328 -1.433) 53.347 26.254 ( -0.000 -11.704 -6.127) 13.210 27.070 ( 0.000 -52.145 -3.210) 52.244 29.253 ( -0.000 -4.032 -1.953) 4.479 29.687 ( 0.000 -40.845 11.788) 42.512 32.512 ( -0.000 -1.876 -4.907) 5.254 33.518 ( -0.000 6.126 0.394) 6.138 ======================= Grid point 199 (82/120) ======================= q-point: (-0.27 -0.16 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.561 ( -2.603 8.164 -33.212) 34.300 4.676 ( 9.426 17.847 -10.785) 22.884 4.964 ( 18.142 9.825 -3.917) 21.000 5.197 ( -0.108 6.157 3.764) 7.217 6.096 ( 6.844 -9.606 16.091) 19.951 6.111 ( -0.944 -3.855 6.690) 7.778 6.558 ( -10.492 -8.507 -13.969) 19.432 6.659 ( 3.877 3.766 6.717) 8.622 7.043 ( -12.406 -8.282 -15.207) 21.302 7.224 ( 6.853 -2.687 14.223) 16.015 8.735 ( 47.754 9.463 -2.850) 48.766 9.902 ( -57.483 -7.342 3.998) 58.088 12.993 ( 56.201 8.667 1.705) 56.891 14.024 ( -48.666 0.183 -1.707) 48.696 14.408 ( 0.514 -0.209 -8.137) 8.155 14.677 ( -3.064 0.552 12.410) 12.795 15.490 ( 53.160 12.732 -0.972) 54.672 16.557 ( -46.010 1.059 2.126) 46.071 17.674 ( -5.455 -2.801 -19.340) 20.289 17.947 ( 6.524 1.098 17.540) 18.746 21.949 ( 11.229 2.224 0.972) 11.488 22.100 ( -3.237 2.247 -0.368) 3.958 22.122 ( 1.657 0.081 -0.020) 1.659 22.228 ( -10.614 -6.062 -0.276) 12.226 27.252 ( 19.118 -7.532 -10.067) 22.882 27.982 ( -27.880 -13.527 13.309) 33.726 29.459 ( 6.451 -11.990 -3.950) 14.176 29.664 ( -5.804 -10.786 3.815) 12.829 34.157 ( -0.012 16.060 -8.276) 18.067 34.276 ( 9.878 20.139 12.302) 25.583 ======================= Grid point 200 (83/120) ======================= q-point: (-0.27 -0.16 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.588 ( -6.240 6.240 -39.131) 40.114 5.106 ( -7.422 7.422 -10.271) 14.686 5.285 ( -4.190 4.190 4.616) 7.511 5.489 ( 6.594 -6.594 -18.620) 20.824 5.561 ( -0.643 0.643 36.995) 37.006 6.037 ( 10.316 -10.316 19.880) 24.659 6.524 ( -4.160 4.160 -11.146) 12.603 6.753 ( 1.189 -1.189 -24.505) 24.562 6.795 ( -1.511 1.511 12.271) 12.456 7.267 ( 6.704 -6.704 15.797) 18.424 9.117 ( -20.479 20.479 4.120) 29.253 9.474 ( 22.331 -22.331 -4.246) 31.865 13.324 ( -24.265 24.265 -1.834) 34.364 13.848 ( 20.473 -20.473 2.139) 29.032 14.425 ( 0.870 -0.870 -9.890) 9.966 14.641 ( -1.743 1.743 12.300) 12.545 15.937 ( -25.045 25.045 1.675) 35.458 16.350 ( 17.097 -17.097 -1.795) 24.245 17.555 ( -1.730 1.730 -20.118) 20.266 18.024 ( 2.723 -2.723 18.231) 18.633 22.024 ( -5.374 5.374 -0.709) 7.633 22.105 ( -0.967 0.967 -1.773) 2.239 22.135 ( 4.059 -4.059 0.775) 5.793 22.157 ( 0.214 -0.214 1.733) 1.759 27.372 ( 15.862 -15.862 -10.981) 24.976 27.401 ( -2.534 2.534 10.490) 11.085 29.410 ( 4.343 -4.343 -5.920) 8.531 29.534 ( -0.700 0.700 8.764) 8.820 34.300 ( -9.288 9.288 -11.289) 17.319 34.607 ( -4.080 4.080 12.185) 13.482 ======================= Grid point 206 (84/120) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.000 35.609 0.000) 35.609 3.493 ( -0.000 2.770 0.000) 2.770 4.325 ( -0.000 51.175 0.000) 51.175 4.417 ( -0.000 10.959 0.000) 10.959 5.280 ( 0.000 -8.088 -0.000) 8.088 5.381 ( -0.000 54.753 0.000) 54.753 6.138 ( -0.000 7.352 0.000) 7.352 6.619 ( -0.000 13.273 0.000) 13.273 7.240 ( -0.000 9.140 0.000) 9.140 7.273 ( -0.000 11.717 0.000) 11.717 8.348 ( -0.000 30.936 0.000) 30.936 9.233 ( -0.000 12.459 0.000) 12.459 11.387 ( -0.000 77.730 0.000) 77.730 14.622 ( 0.000 -16.228 -0.000) 16.228 15.162 ( 0.000 -8.933 -0.000) 8.933 15.947 ( 0.000 -42.914 -0.000) 42.914 16.008 ( 0.000 -48.106 -0.000) 48.106 16.551 ( 0.000 -63.134 -0.000) 63.134 17.003 ( 0.000 -4.935 -0.000) 4.935 18.171 ( -0.000 13.805 0.000) 13.805 21.961 ( -0.000 10.185 0.000) 10.185 22.071 ( -0.000 18.175 0.000) 18.175 22.112 ( 0.000 -5.190 -0.000) 5.190 22.947 ( 0.000 -26.316 -0.000) 26.316 26.777 ( -0.000 25.104 0.000) 25.104 27.870 ( 0.000 -3.907 -0.000) 3.907 30.091 ( -0.000 32.390 0.000) 32.390 32.381 ( -0.000 1.139 0.000) 1.139 32.732 ( 0.000 -28.478 -0.000) 28.478 33.894 ( 0.000 -9.141 -0.000) 9.141 ======================= Grid point 207 (85/120) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 8.517 29.127 0.000) 30.347 3.457 ( -17.781 17.628 0.000) 25.038 4.838 ( 13.096 8.650 -0.000) 15.695 4.933 ( -16.149 38.640 0.000) 41.879 5.145 ( 0.587 -0.757 -0.000) 0.957 6.204 ( 4.683 -5.750 -0.000) 7.416 6.465 ( 22.943 16.764 -0.000) 28.415 6.985 ( 2.086 20.029 0.000) 20.137 7.315 ( -8.358 4.695 0.000) 9.586 7.506 ( -0.142 9.962 0.000) 9.963 8.795 ( -12.413 39.305 0.000) 41.218 9.532 ( 17.391 -23.740 -0.000) 29.428 13.143 ( 7.551 71.778 0.000) 72.174 14.215 ( -28.215 -49.384 -0.000) 56.876 14.306 ( -3.221 -9.658 -0.000) 10.180 15.015 ( 4.874 -10.600 -0.000) 11.667 15.398 ( 0.136 -8.893 -0.000) 8.894 16.011 ( 28.569 -46.422 -0.000) 54.509 16.876 ( -1.382 -5.735 -0.000) 5.899 18.445 ( 2.286 10.156 0.000) 10.410 21.983 ( -0.490 -6.516 -0.000) 6.534 22.055 ( 1.233 2.734 0.000) 2.999 22.350 ( -11.205 16.447 0.000) 19.901 22.462 ( -4.075 -17.097 -0.000) 17.576 27.220 ( -6.177 22.659 0.000) 23.486 27.965 ( 21.473 -9.904 -0.000) 23.647 30.382 ( -17.682 7.327 0.000) 19.140 31.260 ( -52.712 -11.235 0.000) 53.895 32.973 ( 27.534 -14.409 -0.000) 31.076 34.011 ( 26.404 -6.195 -0.000) 27.121 ======================= Grid point 208 (86/120) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -24.254 24.306 0.000) 34.337 3.954 ( 12.252 20.270 0.000) 23.685 4.912 ( 3.678 -5.676 -0.000) 6.764 5.291 ( -10.794 22.994 0.000) 25.402 5.537 ( 9.967 14.304 0.000) 17.434 6.117 ( 5.925 -11.315 -0.000) 12.773 6.975 ( 14.190 0.693 -0.000) 14.207 7.078 ( -16.404 -1.804 0.000) 16.503 7.421 ( -2.816 21.196 0.000) 21.383 7.636 ( -3.637 6.917 0.000) 7.816 8.673 ( 4.261 -61.786 -0.000) 61.933 9.698 ( 7.668 47.962 0.000) 48.571 12.885 ( -5.185 -60.080 -0.000) 60.303 14.029 ( 5.494 21.869 0.000) 22.548 14.147 ( -0.540 -2.826 -0.000) 2.877 14.929 ( 8.085 -11.021 -0.000) 13.669 15.559 ( -3.557 -19.527 -0.000) 19.848 16.331 ( 17.925 52.493 0.000) 55.469 16.744 ( -0.640 -4.686 -0.000) 4.730 18.643 ( 1.267 5.654 0.000) 5.794 21.796 ( 1.547 -13.486 -0.000) 13.574 22.067 ( -2.527 -5.716 -0.000) 6.250 22.156 ( 2.439 -0.155 -0.000) 2.444 22.472 ( -12.026 16.843 0.000) 20.696 27.429 ( -2.397 8.708 0.000) 9.032 28.060 ( -2.198 -11.289 -0.000) 11.501 29.722 ( -15.564 -9.500 0.000) 18.234 30.427 ( -35.655 6.258 0.000) 36.200 33.150 ( 25.741 -19.861 -0.000) 32.513 34.489 ( 25.875 -4.379 -0.000) 26.243 ======================= Grid point 209 (87/120) ======================= q-point: ( 0.17 -0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -26.175 26.175 0.000) 37.017 4.308 ( -3.131 3.131 0.000) 4.429 4.929 ( 8.193 -8.193 -0.000) 11.586 5.412 ( -13.236 13.236 0.000) 18.719 5.744 ( 9.239 -9.239 -0.000) 13.066 6.138 ( -8.219 8.219 0.000) 11.623 6.795 ( -3.404 3.404 0.000) 4.814 7.145 ( 6.261 -6.261 -0.000) 8.854 7.620 ( -14.572 14.572 0.000) 20.608 7.662 ( -5.615 5.615 0.000) 7.940 7.936 ( 38.425 -38.425 -0.000) 54.342 10.644 ( -31.775 31.775 0.000) 44.937 11.857 ( 41.869 -41.869 -0.000) 59.212 14.124 ( 0.580 -0.580 -0.000) 0.820 14.452 ( 38.907 -38.907 -0.000) 55.023 14.899 ( 10.263 -10.263 -0.000) 14.513 15.188 ( -36.177 36.177 0.000) 51.162 16.687 ( 1.952 -1.952 -0.000) 2.760 17.168 ( -22.891 22.891 0.000) 32.372 18.713 ( -1.637 1.637 0.000) 2.314 21.643 ( 11.102 -11.102 -0.000) 15.701 21.990 ( 1.465 -1.465 -0.000) 2.072 22.195 ( 1.197 -1.197 -0.000) 1.693 22.545 ( -14.503 14.503 0.000) 20.511 27.578 ( 8.075 -8.075 -0.000) 11.419 27.627 ( -12.737 12.737 0.000) 18.012 29.797 ( 5.235 -5.235 -0.000) 7.404 29.900 ( -23.548 23.548 0.000) 33.302 33.212 ( 24.190 -24.190 -0.000) 34.210 34.722 ( 13.765 -13.765 -0.000) 19.467 ======================= Grid point 216 (88/120) ======================= q-point: (-0.40 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -0.000 -22.646 -14.149) 26.702 3.971 ( -0.000 -20.386 -19.480) 28.196 5.096 ( -0.000 8.425 -4.132) 9.383 5.247 ( -0.000 -7.881 -32.540) 33.481 5.405 ( -0.000 1.004 -8.958) 9.014 5.885 ( -0.000 -13.020 -2.893) 13.337 6.159 ( 0.000 -1.112 7.208) 7.293 6.900 ( -0.000 -21.972 -6.493) 22.912 6.963 ( -0.000 -30.005 -4.584) 30.354 7.836 ( 0.000 -9.448 4.354) 10.403 7.872 ( 0.000 -27.005 5.298) 27.520 8.734 ( -0.000 17.888 -4.145) 18.362 9.500 ( 0.000 -53.882 5.355) 54.147 14.475 ( 0.000 1.910 6.429) 6.707 14.483 ( 0.000 2.919 12.601) 12.935 16.781 ( -0.000 53.433 2.702) 53.502 16.972 ( 0.000 -3.030 12.786) 13.140 17.104 ( -0.000 33.123 -3.450) 33.303 17.606 ( -0.000 46.324 1.845) 46.361 18.607 ( -0.000 15.316 -8.625) 17.577 20.973 ( 0.000 -36.727 5.045) 37.072 21.929 ( 0.000 -2.148 0.131) 2.152 22.119 ( 0.000 0.272 1.418) 1.444 23.771 ( -0.000 38.565 -2.375) 38.638 26.661 ( -0.000 -15.499 -5.595) 16.478 27.942 ( -0.000 -22.358 -4.325) 22.772 29.530 ( 0.000 -23.907 -1.166) 23.935 30.147 ( 0.000 -33.357 14.234) 36.267 32.694 ( -0.000 -3.881 -6.876) 7.896 33.333 ( -0.000 11.607 0.184) 11.608 ======================= Grid point 217 (89/120) ======================= q-point: (-0.40 -0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 11.075 -11.075 -30.442) 34.235 3.846 ( 23.680 -23.680 -18.379) 38.201 5.171 ( -5.213 5.213 -1.924) 7.619 5.185 ( -0.096 0.096 -36.859) 36.859 5.503 ( 3.395 -3.395 -18.226) 18.848 5.686 ( 5.871 -5.871 1.555) 8.447 6.031 ( 5.121 -5.121 13.535) 15.350 6.395 ( 1.079 -1.079 -8.616) 8.750 7.026 ( 29.410 -29.410 -8.860) 42.525 7.484 ( -2.646 2.646 7.212) 8.125 7.926 ( 19.890 -19.890 3.002) 28.288 8.509 ( 33.198 -33.198 1.938) 46.989 9.317 ( -17.223 17.223 4.510) 24.770 14.487 ( -2.303 2.303 9.655) 10.190 14.532 ( -0.758 0.758 13.410) 13.453 16.893 ( 4.115 -4.115 12.512) 13.799 17.134 ( -50.428 50.428 3.235) 71.389 17.488 ( -19.638 19.638 -5.657) 28.343 18.439 ( -6.063 6.063 1.623) 8.727 18.785 ( -10.427 10.427 -4.199) 15.332 20.439 ( 23.884 -23.884 3.711) 33.980 21.906 ( 0.934 -0.934 0.040) 1.321 22.124 ( 0.444 -0.444 1.779) 1.887 24.329 ( -31.115 31.115 -0.344) 44.005 26.444 ( 8.074 -8.074 -7.394) 13.603 27.490 ( 27.165 -27.165 -2.253) 38.483 29.315 ( 1.682 -1.682 -2.872) 3.730 29.812 ( 25.541 -25.541 7.854) 36.964 32.588 ( -3.016 3.016 -4.371) 6.108 33.530 ( 1.594 -1.594 -0.701) 2.360 ======================= Grid point 236 (90/120) ======================= q-point: (-0.52 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( 0.000 3.582 3.264) 4.846 4.406 ( -0.000 6.846 -8.807) 11.155 4.947 ( 0.000 3.983 2.766) 4.849 5.508 ( -0.000 2.573 -6.398) 6.896 5.851 ( 0.000 6.167 12.273) 13.735 5.878 ( -0.000 -8.274 -11.158) 13.891 6.311 ( -0.000 -7.606 -7.533) 10.705 7.365 ( -0.000 0.271 -5.684) 5.690 7.494 ( -0.000 -9.330 -5.486) 10.824 8.038 ( 0.000 -35.223 5.862) 35.707 8.124 ( 0.000 18.390 5.110) 19.087 8.676 ( -0.000 -32.945 -4.154) 33.205 10.979 ( 0.000 -87.935 0.742) 87.938 14.231 ( 0.000 0.334 7.062) 7.070 14.468 ( -0.000 -6.438 -0.716) 6.477 15.765 ( -0.000 39.140 2.071) 39.194 16.198 ( -0.000 60.431 2.314) 60.475 16.434 ( -0.000 50.023 -4.687) 50.242 16.953 ( 0.000 -5.297 13.131) 14.159 18.559 ( -0.000 9.346 -8.793) 12.832 21.512 ( 0.000 -26.685 4.372) 27.041 21.989 ( 0.000 -4.716 -0.006) 4.716 22.091 ( 0.000 0.460 0.559) 0.723 23.198 ( -0.000 24.936 -2.518) 25.062 27.077 ( -0.000 -15.779 -3.398) 16.140 28.117 ( -0.000 9.832 -3.408) 10.406 30.273 ( 0.000 -43.029 -2.083) 43.080 30.458 ( 0.000 -23.788 10.016) 25.811 32.966 ( -0.000 -6.340 -9.245) 11.210 33.051 ( -0.000 15.908 0.066) 15.908 ======================= Grid point 237 (91/120) ======================= q-point: (-0.52 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( 4.136 -12.808 -13.170) 18.831 4.403 ( 3.175 -4.914 -8.803) 10.570 4.978 ( -3.616 4.004 6.712) 8.611 5.514 ( -0.213 -0.826 -0.396) 0.940 5.781 ( -2.338 5.348 -8.565) 10.365 6.079 ( 5.732 -10.445 -4.547) 12.753 6.114 ( 0.034 -11.084 -14.237) 18.042 6.659 ( -8.972 -7.578 -9.956) 15.396 7.281 ( -9.744 -5.650 9.204) 14.546 7.664 ( 8.091 -7.174 -3.606) 11.399 8.502 ( 64.233 -46.350 5.299) 79.387 8.739 ( -8.507 24.624 -0.326) 26.054 9.569 ( 17.931 -69.825 2.274) 72.126 14.264 ( 0.922 1.310 8.692) 8.838 14.375 ( 1.568 -4.589 2.754) 5.577 15.948 ( -54.798 56.343 2.796) 78.645 16.764 ( 3.048 -5.886 10.847) 12.711 17.024 ( -16.846 34.965 -3.315) 38.953 17.951 ( 17.232 38.326 0.756) 42.029 18.709 ( -3.167 7.489 -5.571) 9.857 20.935 ( 6.128 -29.876 3.147) 30.660 21.930 ( 0.464 -1.825 0.216) 1.895 22.107 ( 1.438 -0.725 0.976) 1.883 23.664 ( -14.525 32.606 -0.954) 35.707 26.831 ( 6.046 -14.360 -5.655) 16.575 28.006 ( -1.652 -17.345 -0.910) 17.448 29.462 ( -2.340 -8.827 -1.822) 9.312 30.246 ( 20.462 -30.096 4.975) 36.731 32.584 ( -14.313 3.270 -2.054) 14.824 33.617 ( 19.191 -2.599 -3.185) 19.626 ======================= Grid point 255 (92/120) ======================= q-point: ( 0.35 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 0.000 21.106 8.862) 22.891 4.153 ( 0.000 20.733 2.454) 20.878 4.837 ( 0.000 3.632 1.475) 3.920 5.392 ( 0.000 7.181 15.255) 16.860 5.547 ( -0.000 15.833 -10.981) 19.268 6.075 ( 0.000 -11.241 8.036) 13.818 6.441 ( -0.000 5.037 -1.272) 5.195 7.316 ( -0.000 19.227 -7.397) 20.600 7.526 ( -0.000 4.903 -1.446) 5.112 7.696 ( 0.000 12.002 2.158) 12.194 8.845 ( 0.000 -37.632 -0.348) 37.634 9.196 ( -0.000 -6.124 -1.056) 6.214 12.825 ( 0.000 -93.760 -0.316) 93.760 14.188 ( 0.000 -5.268 1.819) 5.573 14.694 ( -0.000 13.543 -2.471) 13.766 14.712 ( -0.000 57.611 -1.732) 57.637 15.276 ( 0.000 3.831 0.740) 3.902 15.665 ( -0.000 30.458 -1.089) 30.477 16.857 ( 0.000 -7.561 8.975) 11.736 18.548 ( -0.000 8.565 -5.839) 10.367 21.834 ( 0.000 -12.526 2.160) 12.711 22.071 ( -0.000 1.115 -0.004) 1.115 22.169 ( 0.000 -14.031 0.187) 14.032 22.822 ( -0.000 18.454 -1.794) 18.541 27.425 ( 0.000 -14.285 -0.931) 14.315 27.816 ( -0.000 22.872 -1.101) 22.899 30.658 ( 0.000 -9.833 4.211) 10.697 31.213 ( 0.000 -43.386 -2.942) 43.486 32.715 ( -0.000 16.092 0.316) 16.095 33.334 ( -0.000 -9.426 -9.844) 13.629 ======================= Grid point 256 (93/120) ======================= q-point: ( 0.35 -0.21 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 568 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( 6.528 12.425 3.803) 14.542 4.396 ( -13.266 18.372 -0.447) 22.665 4.846 ( -0.476 -2.768 4.346) 5.174 5.561 ( 0.632 -8.263 4.968) 9.662 5.728 ( 0.675 13.688 -7.362) 15.557 6.044 ( 3.106 10.697 4.523) 12.022 6.568 ( 9.473 -3.842 -9.849) 14.195 7.278 ( -17.401 -10.466 -7.683) 21.711 7.456 ( -11.297 -34.947 2.939) 36.845 7.713 ( -1.208 -2.968 -1.489) 3.534 8.169 ( -1.872 18.709 4.475) 19.328 9.306 ( 47.289 -26.742 -0.600) 54.330 11.187 ( 19.592 -87.755 0.114) 89.916 14.132 ( 0.737 -1.038 3.271) 3.510 14.528 ( 4.119 -10.358 -1.454) 11.242 14.886 ( -49.858 41.183 1.524) 64.686 16.291 ( -13.217 40.190 -1.276) 42.327 16.678 ( 4.252 1.752 3.935) 6.052 16.964 ( 28.381 50.245 3.071) 57.788 18.694 ( -0.359 5.796 -4.473) 7.330 21.434 ( 0.057 -24.333 1.977) 24.413 21.983 ( -0.448 -4.333 0.086) 4.357 22.106 ( 2.172 -0.200 0.221) 2.192 23.121 ( -11.022 23.810 -1.007) 26.257 27.202 ( 6.303 -13.734 -2.031) 15.248 28.154 ( -4.148 4.773 -1.301) 6.456 29.770 ( -19.386 -20.443 0.641) 28.180 30.755 ( 7.191 -24.339 0.385) 25.382 32.587 ( -11.096 -1.977 -0.230) 11.273 33.755 ( 31.008 -3.043 -4.244) 31.445 ======================= Grid point 257 (94/120) ======================= q-point: (-0.65 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.358 ( 4.306 -4.306 -1.831) 6.359 4.361 ( -15.263 15.263 0.852) 21.603 4.799 ( -0.301 0.301 4.715) 4.734 5.434 ( 4.980 -4.980 5.523) 8.950 5.858 ( -8.513 8.513 -6.452) 13.659 6.243 ( 12.921 -12.921 -3.601) 18.625 6.637 ( 5.784 -5.784 -15.941) 17.917 6.832 ( 8.431 -8.431 17.243) 20.964 6.878 ( -3.534 3.534 -11.615) 12.644 7.754 ( -2.928 2.928 -3.084) 5.164 8.406 ( -17.505 17.505 4.939) 25.244 9.936 ( 63.144 -63.144 0.250) 89.299 10.094 ( 44.509 -44.509 0.277) 62.946 14.141 ( 0.388 -0.388 4.037) 4.074 14.459 ( 6.945 -6.945 -1.404) 9.921 14.793 ( -49.033 49.033 2.247) 69.379 16.576 ( -32.150 32.150 -1.624) 45.495 16.647 ( 3.754 -3.754 6.488) 8.383 17.968 ( -15.855 15.855 0.331) 22.424 18.750 ( -2.764 2.764 -3.790) 5.444 21.115 ( 16.211 -16.211 1.383) 22.968 21.940 ( 1.167 -1.167 0.293) 1.676 22.130 ( 1.861 -1.861 0.288) 2.647 23.286 ( -22.254 22.254 -0.280) 31.474 27.126 ( 11.464 -11.464 -4.012) 16.702 27.943 ( -1.169 1.169 1.881) 2.504 29.560 ( 4.338 -4.338 -2.550) 6.644 30.485 ( 6.490 -6.490 0.776) 9.211 32.455 ( 4.345 -4.345 1.174) 6.255 34.056 ( 15.784 -15.784 -3.323) 22.568 ======================= Grid point 264 (95/120) ======================= q-point: (-0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -0.000 0.000 -37.477) 37.477 2.253 ( -0.000 0.000 -37.477) 37.477 4.122 ( -0.000 0.000 -56.984) 56.984 4.983 ( -0.000 0.000 -19.763) 19.763 4.983 ( -0.000 0.000 -19.763) 19.763 5.767 ( 0.000 -0.000 14.221) 14.221 6.242 ( 0.000 -0.000 13.910) 13.910 6.242 ( 0.000 -0.000 13.910) 13.910 6.324 ( -0.000 0.000 -24.826) 24.826 7.613 ( 0.000 -0.000 0.142) 0.142 7.613 ( 0.000 -0.000 0.142) 0.142 7.836 ( 0.000 -0.000 3.381) 3.381 9.857 ( 0.000 -0.000 5.342) 5.342 14.859 ( 0.000 -0.000 14.886) 14.886 14.859 ( 0.000 -0.000 14.886) 14.886 17.024 ( 0.000 -0.000 11.681) 11.681 17.761 ( -0.000 0.000 -6.978) 6.978 18.592 ( 0.000 -0.000 2.528) 2.528 18.592 ( 0.000 -0.000 2.528) 2.528 19.091 ( 0.000 -0.000 3.454) 3.454 19.677 ( 0.000 -0.000 2.542) 2.542 21.885 ( -0.000 0.000 -0.098) 0.098 22.165 ( 0.000 -0.000 2.297) 2.297 25.609 ( 0.000 -0.000 2.942) 2.942 26.120 ( -0.000 0.000 -6.859) 6.859 26.120 ( -0.000 0.000 -6.859) 6.859 29.226 ( -0.000 0.000 -2.330) 2.330 29.226 ( -0.000 0.000 -2.330) 2.330 32.492 ( -0.000 0.000 -4.607) 4.607 33.580 ( 0.000 -0.000 0.482) 0.482 ======================= Grid point 268 (96/120) ======================= q-point: (-0.21 -0.21 0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.656 ( 0.573 0.573 -46.055) 46.062 5.066 ( 18.766 18.766 -3.739) 26.802 5.130 ( 7.035 7.035 -6.499) 11.883 5.302 ( 3.491 3.491 6.658) 8.289 5.886 ( -17.145 -17.145 13.422) 27.713 5.940 ( -2.698 -2.698 21.647) 21.981 6.511 ( 2.550 2.550 -15.203) 15.625 6.760 ( 3.255 3.255 3.960) 6.073 6.874 ( -7.763 -7.763 -12.616) 16.724 7.188 ( 0.340 0.340 15.653) 15.660 9.032 ( 19.629 19.629 -3.664) 28.000 9.569 ( -22.538 -22.538 4.608) 32.204 13.359 ( 24.520 24.520 1.383) 34.704 13.806 ( -20.205 -20.205 -1.681) 28.623 14.409 ( 0.605 0.605 -9.243) 9.283 14.671 ( -1.008 -1.008 12.889) 12.967 15.902 ( 24.831 24.831 -1.515) 35.148 16.387 ( -17.198 -17.198 1.634) 24.377 17.609 ( -3.288 -3.288 -20.071) 20.603 17.974 ( 1.933 1.933 18.607) 18.806 22.032 ( 4.996 4.996 -0.053) 7.066 22.119 ( -0.430 -0.430 -1.717) 1.822 22.128 ( -3.775 -3.775 0.192) 5.342 22.143 ( 1.103 1.103 1.750) 2.345 27.177 ( 2.365 2.365 -10.124) 10.662 27.617 ( -17.825 -17.825 11.558) 27.732 29.368 ( 0.103 0.103 -6.735) 6.736 29.559 ( -1.968 -1.968 8.016) 8.486 34.357 ( 3.660 3.660 -10.742) 11.924 34.564 ( 8.336 8.336 12.949) 17.511 ======================= Grid point 273 (97/120) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -0.000 31.110 0.000) 31.110 3.694 ( -0.000 16.690 0.000) 16.690 4.660 ( -0.000 12.389 0.000) 12.389 5.147 ( 0.000 -4.081 -0.000) 4.081 5.170 ( -0.000 33.712 0.000) 33.712 6.154 ( 0.000 -5.729 -0.000) 5.729 6.161 ( -0.000 24.578 0.000) 24.578 6.958 ( -0.000 20.528 0.000) 20.528 7.411 ( -0.000 7.688 0.000) 7.688 7.496 ( -0.000 9.864 0.000) 9.864 8.964 ( -0.000 26.296 0.000) 26.296 9.321 ( 0.000 -7.479 -0.000) 7.479 13.039 ( -0.000 85.009 0.000) 85.009 14.343 ( 0.000 -11.336 -0.000) 11.336 14.648 ( 0.000 -84.772 -0.000) 84.772 14.961 ( 0.000 -10.965 -0.000) 10.965 15.415 ( 0.000 -7.187 -0.000) 7.187 15.574 ( 0.000 -32.020 -0.000) 32.020 16.890 ( 0.000 -6.191 -0.000) 6.191 18.421 ( -0.000 10.993 0.000) 10.993 21.992 ( 0.000 -6.834 -0.000) 6.834 22.039 ( -0.000 2.254 0.000) 2.254 22.481 ( -0.000 18.809 0.000) 18.809 22.504 ( 0.000 -19.087 -0.000) 19.087 27.311 ( -0.000 27.156 0.000) 27.156 27.696 ( 0.000 -11.791 -0.000) 11.791 30.589 ( -0.000 14.105 0.000) 14.105 32.070 ( 0.000 -37.321 -0.000) 37.321 32.457 ( -0.000 7.841 0.000) 7.841 33.687 ( 0.000 -11.383 -0.000) 11.383 ======================= Grid point 274 (98/120) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 3.987 23.490 0.000) 23.826 3.901 ( -15.259 24.985 0.000) 29.276 4.864 ( 2.500 -3.694 -0.000) 4.461 5.329 ( 9.503 16.209 0.000) 18.789 5.542 ( -13.268 23.551 0.000) 27.031 5.988 ( 5.485 -14.194 -0.000) 15.217 6.658 ( 15.785 4.098 -0.000) 16.308 7.382 ( -12.761 1.636 0.000) 12.865 7.436 ( 0.664 23.693 0.000) 23.702 7.674 ( 0.105 6.621 0.000) 6.622 8.715 ( -7.279 -51.240 -0.000) 51.755 9.434 ( 16.010 15.550 -0.000) 22.318 12.898 ( 4.607 -79.029 -0.000) 79.163 14.161 ( -0.722 -4.939 -0.000) 4.992 14.231 ( -25.718 31.844 0.000) 40.932 14.787 ( 5.503 -11.977 -0.000) 13.181 15.637 ( -2.495 19.081 0.000) 19.243 15.812 ( 31.423 42.800 0.000) 53.097 16.755 ( -0.388 -6.221 -0.000) 6.233 18.620 ( 0.902 7.322 0.000) 7.377 21.796 ( -0.967 -13.431 -0.000) 13.465 22.092 ( 1.433 0.607 -0.000) 1.556 22.140 ( -2.005 -11.406 -0.000) 11.581 22.719 ( -10.990 18.442 0.000) 21.468 27.435 ( 0.372 -4.852 -0.000) 4.866 27.955 ( 9.595 11.617 0.000) 15.067 30.201 ( -29.138 -20.529 0.000) 35.644 31.107 ( -24.205 -9.245 0.000) 25.911 32.707 ( 12.839 -10.517 -0.000) 16.597 33.897 ( 31.603 -5.079 -0.000) 32.009 ======================= Grid point 275 (99/120) ======================= q-point: ( 0.22 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -23.805 26.526 0.000) 35.641 4.274 ( 5.466 11.201 0.000) 12.464 4.802 ( 3.045 -4.929 -0.000) 5.793 5.576 ( 6.269 -11.485 -0.000) 13.085 5.670 ( -12.779 15.703 0.000) 20.245 6.136 ( 8.529 14.994 0.000) 17.250 6.932 ( 13.085 -4.745 -0.000) 13.919 7.016 ( -17.009 -4.064 0.000) 17.487 7.406 ( 13.262 -52.230 -0.000) 53.887 7.755 ( -3.060 4.710 0.000) 5.616 7.915 ( -12.866 19.102 0.000) 23.031 10.321 ( 48.261 6.738 -0.000) 48.730 11.553 ( 9.104 -72.774 -0.000) 73.342 14.110 ( -14.928 9.465 0.000) 17.676 14.112 ( 0.675 -0.960 -0.000) 1.174 14.697 ( 9.329 -11.734 -0.000) 14.991 15.875 ( -28.861 35.870 0.000) 46.039 16.654 ( 1.374 -4.257 -0.000) 4.473 17.341 ( 6.503 43.870 0.000) 44.349 18.735 ( -0.591 3.565 0.000) 3.613 21.467 ( 5.746 -18.550 -0.000) 19.420 21.976 ( 0.091 -3.034 -0.000) 3.036 22.155 ( 2.565 -0.677 -0.000) 2.653 22.850 ( -15.527 20.737 0.000) 25.906 27.388 ( 9.230 -9.162 -0.000) 13.006 27.945 ( -15.894 -2.967 0.000) 16.169 29.638 ( 4.283 -0.882 -0.000) 4.373 30.500 ( -28.205 2.070 0.000) 28.281 32.721 ( 21.297 -20.863 -0.000) 29.814 34.352 ( 23.116 -9.625 -0.000) 25.040 ======================= Grid point 282 (100/120) ======================= q-point: (-0.34 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -0.000 -23.022 -28.020) 36.265 3.399 ( -0.000 -31.065 -27.716) 41.632 5.202 ( -0.000 2.198 -41.754) 41.811 5.253 ( -0.000 7.526 -3.784) 8.424 5.419 ( -0.000 -1.050 -15.856) 15.891 5.635 ( 0.000 -11.505 -0.903) 11.540 6.046 ( 0.000 -8.467 11.229) 14.063 6.258 ( 0.000 -30.231 5.758) 30.775 6.737 ( -0.000 3.670 -14.558) 15.013 7.597 ( 0.000 -5.526 5.807) 8.016 7.658 ( 0.000 -8.560 3.788) 9.360 8.171 ( 0.000 -38.356 2.054) 38.411 9.509 ( 0.000 19.282 5.334) 20.006 14.522 ( 0.000 2.248 11.744) 11.957 14.530 ( 0.000 1.693 13.611) 13.716 16.840 ( 0.000 -5.701 11.853) 13.152 17.688 ( -0.000 21.624 -5.997) 22.440 17.846 ( -0.000 50.252 2.227) 50.301 18.316 ( -0.000 22.793 1.965) 22.878 18.904 ( -0.000 12.586 -0.434) 12.594 20.184 ( 0.000 -40.210 3.308) 40.345 21.897 ( 0.000 -1.036 -0.030) 1.036 22.119 ( 0.000 -0.162 1.974) 1.981 24.685 ( -0.000 51.389 -0.966) 51.398 26.389 ( -0.000 -10.944 -6.316) 12.636 27.144 ( 0.000 -51.874 -3.708) 52.007 29.297 ( -0.000 -3.155 -2.131) 3.808 29.538 ( 0.000 -24.272 3.606) 24.538 32.625 ( -0.000 -2.655 -5.531) 6.135 33.510 ( -0.000 5.942 0.368) 5.954 ======================= Grid point 303 (101/120) ======================= q-point: (-0.47 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -0.000 -7.626 -8.496) 11.417 4.344 ( -0.000 -14.619 -14.967) 20.922 5.027 ( 0.000 4.371 7.344) 8.546 5.508 ( -0.000 4.105 -5.300) 6.704 5.885 ( -0.000 3.710 -22.641) 22.943 5.946 ( 0.000 -0.575 0.199) 0.608 6.161 ( -0.000 -8.698 -8.516) 12.173 6.994 ( 0.000 -22.865 -1.677) 22.926 7.117 ( -0.000 -33.852 -9.736) 35.224 7.666 ( 0.000 -26.807 11.996) 29.369 7.723 ( 0.000 -6.485 5.614) 8.578 8.805 ( -0.000 15.788 -1.473) 15.857 9.404 ( 0.000 -60.677 3.676) 60.789 14.252 ( 0.000 1.381 8.874) 8.981 14.362 ( 0.000 -4.066 4.222) 5.862 16.723 ( 0.000 -5.093 9.903) 11.136 16.728 ( -0.000 53.585 2.191) 53.630 17.160 ( -0.000 37.717 -1.408) 37.743 17.591 ( -0.000 47.315 -0.428) 47.317 18.742 ( -0.000 8.806 -4.471) 9.876 20.882 ( 0.000 -35.391 3.486) 35.562 21.926 ( 0.000 -2.051 0.093) 2.054 22.091 ( 0.000 -0.383 1.155) 1.217 23.815 ( -0.000 37.455 -1.708) 37.494 26.771 ( -0.000 -14.583 -4.540) 15.273 28.032 ( -0.000 -22.976 -3.928) 23.309 29.553 ( 0.000 -23.502 -0.991) 23.523 29.937 ( 0.000 -25.929 6.378) 26.702 32.838 ( -0.000 -6.052 -6.383) 8.796 33.330 ( -0.000 11.445 0.068) 11.445 ======================= Grid point 304 (102/120) ======================= q-point: (-0.47 -0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 7.191 -7.191 -23.163) 25.298 4.185 ( 14.882 -14.882 -12.644) 24.552 5.066 ( -4.409 4.409 8.415) 10.474 5.622 ( -7.377 7.377 -8.807) 13.653 5.782 ( 6.757 -6.757 8.735) 12.946 5.809 ( 0.840 -0.840 -10.249) 10.318 6.006 ( 3.777 -3.777 -25.352) 25.909 6.669 ( 7.254 -7.254 -16.594) 19.509 7.185 ( 31.902 -31.902 -5.168) 45.411 7.259 ( -3.665 3.665 13.890) 14.825 7.799 ( 18.154 -18.154 7.592) 26.773 8.472 ( 34.082 -34.082 1.454) 48.221 9.209 ( -15.565 15.565 5.828) 22.770 14.283 ( -0.212 0.212 9.683) 9.687 14.311 ( 1.552 -1.552 6.762) 7.110 16.657 ( 3.500 -3.500 9.314) 10.547 17.072 ( -51.966 51.966 2.577) 73.536 17.594 ( -20.496 20.496 -4.187) 29.286 18.412 ( -5.709 5.709 0.820) 8.116 18.840 ( -5.221 5.221 -1.433) 7.521 20.372 ( 23.260 -23.260 2.599) 32.998 21.905 ( 0.776 -0.776 0.061) 1.099 22.090 ( 0.794 -0.794 1.381) 1.780 24.336 ( -31.034 31.034 -0.295) 43.889 26.589 ( 8.629 -8.629 -5.986) 13.592 27.539 ( 25.106 -25.106 -2.213) 35.574 29.374 ( 2.127 -2.127 -2.578) 3.962 29.703 ( 20.819 -20.819 3.103) 29.605 32.678 ( -5.035 5.035 -3.876) 8.107 33.548 ( 3.705 -3.705 -0.896) 5.316 ======================= Grid point 321 (103/120) ======================= q-point: ( 0.40 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 0.000 12.076 3.684) 12.625 4.551 ( -0.000 15.298 -4.770) 16.024 4.853 ( 0.000 -0.285 4.914) 4.922 5.591 ( -0.000 -7.779 -2.341) 8.123 5.659 ( 0.000 17.305 5.436) 18.139 6.041 ( -0.000 8.439 -3.828) 9.266 6.457 ( -0.000 -2.333 -5.257) 5.751 7.527 ( -0.000 1.717 -8.998) 9.160 7.580 ( -0.000 -2.840 -2.673) 3.900 7.934 ( 0.000 -46.280 3.598) 46.420 7.978 ( 0.000 6.427 7.560) 9.923 8.743 ( 0.000 -27.729 -1.700) 27.781 10.972 ( 0.000 -88.997 0.051) 88.997 14.123 ( 0.000 -1.575 3.229) 3.592 14.483 ( 0.000 -10.320 -0.529) 10.334 15.729 ( -0.000 38.823 1.190) 38.841 16.172 ( -0.000 59.230 0.326) 59.231 16.516 ( -0.000 50.333 -2.994) 50.422 16.723 ( 0.000 -2.482 8.203) 8.570 18.697 ( -0.000 6.392 -4.262) 7.682 21.440 ( 0.000 -26.110 2.344) 26.215 21.989 ( 0.000 -4.947 -0.034) 4.947 22.081 ( 0.000 -0.079 0.337) 0.346 23.239 ( -0.000 24.321 -1.351) 24.358 27.135 ( -0.000 -14.491 -1.935) 14.619 28.177 ( -0.000 10.977 -2.071) 11.170 30.308 ( 0.000 -44.979 -1.175) 44.994 30.311 ( 0.000 -22.351 4.211) 22.744 33.052 ( -0.000 16.084 -0.046) 16.084 33.135 ( -0.000 -9.973 -6.031) 11.655 ======================= Grid point 322 (104/120) ======================= q-point: (-0.60 -0.26 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 567 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( 7.010 1.088 -3.133) 7.755 4.554 ( -3.542 -4.991 -4.863) 7.817 4.840 ( -2.827 2.474 5.315) 6.509 5.495 ( -9.237 8.057 1.173) 12.313 5.974 ( -2.744 8.700 -11.681) 14.821 6.092 ( -3.587 -21.512 -1.815) 21.884 6.481 ( 10.105 -2.269 -11.280) 15.314 6.702 ( -1.848 -3.960 8.376) 9.448 7.197 ( -18.116 -8.800 -3.374) 20.421 7.727 ( 5.950 -2.527 -2.519) 6.938 8.368 ( 63.544 -38.471 5.647) 74.496 8.735 ( -1.222 8.184 1.161) 8.356 9.538 ( 19.493 -71.590 0.786) 74.201 14.126 ( 1.068 0.161 4.303) 4.437 14.335 ( 4.138 -8.478 1.176) 9.507 15.901 ( -55.377 56.515 1.565) 79.140 16.587 ( 2.059 -4.885 5.656) 7.752 17.077 ( -16.372 35.790 -1.611) 39.390 17.942 ( 16.865 38.715 0.132) 42.229 18.793 ( -1.472 4.090 -2.446) 4.988 20.884 ( 6.549 -29.384 1.635) 30.149 21.927 ( 0.258 -1.734 0.134) 1.758 22.091 ( 1.725 -1.159 0.543) 2.148 23.680 ( -15.327 31.833 -0.516) 35.334 26.926 ( 7.585 -13.438 -3.136) 15.746 28.026 ( -5.908 -17.032 -0.804) 18.045 29.496 ( -0.150 -6.959 -1.207) 7.065 30.178 ( 21.586 -30.287 1.833) 37.237 32.621 ( -18.214 4.738 -1.298) 18.865 33.676 ( 21.441 -4.922 -2.135) 22.102 ======================= Grid point 341 (105/120) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -0.000 24.057 0.000) 24.057 4.124 ( -0.000 24.904 0.000) 24.904 4.814 ( -0.000 0.997 0.000) 0.997 5.223 ( -0.000 13.718 0.000) 13.718 5.717 ( -0.000 21.782 0.000) 21.782 5.930 ( 0.000 -15.560 -0.000) 15.560 6.458 ( -0.000 7.202 0.000) 7.202 7.426 ( -0.000 25.164 0.000) 25.164 7.541 ( -0.000 5.067 0.000) 5.067 7.646 ( -0.000 4.650 0.000) 4.650 8.849 ( 0.000 -38.549 -0.000) 38.549 9.207 ( 0.000 -6.008 -0.000) 6.008 12.828 ( 0.000 -93.789 -0.000) 93.789 14.170 ( 0.000 -6.077 -0.000) 6.077 14.724 ( -0.000 81.024 0.000) 81.024 14.728 ( 0.000 -12.017 -0.000) 12.017 15.268 ( -0.000 3.438 0.000) 3.438 15.678 ( -0.000 31.074 0.000) 31.074 16.759 ( 0.000 -6.775 -0.000) 6.775 18.611 ( -0.000 7.930 0.000) 7.930 21.810 ( 0.000 -13.071 -0.000) 13.071 22.071 ( -0.000 0.949 0.000) 0.949 22.167 ( 0.000 -13.571 -0.000) 13.571 22.842 ( -0.000 18.178 0.000) 18.178 27.435 ( 0.000 -13.689 -0.000) 13.689 27.829 ( -0.000 23.483 0.000) 23.483 30.614 ( 0.000 -10.339 -0.000) 10.339 31.245 ( 0.000 -44.574 -0.000) 44.574 32.712 ( -0.000 16.475 0.000) 16.475 33.446 ( 0.000 -12.383 -0.000) 12.383 ======================= Grid point 342 (106/120) ======================= q-point: ( 0.28 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( 6.225 15.363 0.000) 16.576 4.397 ( -16.992 22.192 0.000) 27.950 4.790 ( -0.486 -2.729 -0.000) 2.771 5.509 ( -0.098 -7.205 -0.000) 7.206 5.883 ( 14.841 14.243 -0.000) 20.570 5.921 ( -11.731 14.813 0.000) 18.896 6.674 ( 12.187 -1.967 -0.000) 12.345 7.368 ( -16.335 -3.150 0.000) 16.636 7.412 ( -14.123 -50.981 -0.000) 52.901 7.765 ( 2.411 2.322 -0.000) 3.348 8.089 ( -2.715 16.917 0.000) 17.134 9.313 ( 46.750 -26.641 -0.000) 53.808 11.186 ( 19.503 -87.928 -0.000) 90.065 14.098 ( 0.711 -1.709 -0.000) 1.851 14.544 ( 5.477 -11.924 -0.000) 13.122 14.870 ( -50.572 41.131 0.000) 65.186 16.305 ( -12.833 40.370 0.000) 42.360 16.632 ( 0.725 -5.846 -0.000) 5.891 16.934 ( 31.287 58.532 0.000) 66.369 18.741 ( -0.131 4.845 0.000) 4.846 21.412 ( 0.404 -24.150 -0.000) 24.153 21.982 ( -0.568 -4.429 -0.000) 4.465 22.103 ( 2.285 -0.381 -0.000) 2.317 23.132 ( -11.320 23.569 0.000) 26.147 27.224 ( 6.391 -12.853 -0.000) 14.354 28.169 ( -5.051 4.299 0.000) 6.633 29.764 ( -18.357 -19.367 -0.000) 26.685 30.752 ( 8.360 -25.812 -0.000) 27.132 32.590 ( -12.975 -1.227 0.000) 13.033 33.803 ( 31.226 -4.601 -0.000) 31.563 ======================= Grid point 343 (107/120) ======================= q-point: ( 0.28 -0.28 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( -18.683 18.682 0.000) 26.421 4.368 ( 1.442 -1.442 -0.000) 2.040 4.745 ( -0.074 0.074 0.000) 0.105 5.371 ( 4.298 -4.298 -0.000) 6.079 5.936 ( -10.491 10.491 0.000) 14.836 6.405 ( -5.027 5.027 0.000) 7.110 6.522 ( 27.934 -27.934 -0.000) 39.505 6.819 ( 8.007 -8.007 -0.000) 11.324 6.993 ( -5.793 5.793 0.000) 8.192 7.811 ( -0.580 0.580 0.000) 0.821 8.325 ( -18.283 18.283 0.000) 25.856 9.936 ( 63.117 -63.117 -0.000) 89.262 10.091 ( 44.540 -44.540 -0.000) 62.989 14.098 ( 0.656 -0.656 -0.000) 0.928 14.476 ( 9.844 -9.844 -0.000) 13.921 14.767 ( -50.638 50.638 0.000) 71.613 16.577 ( 3.242 -3.242 -0.000) 4.585 16.593 ( -32.255 32.255 0.000) 45.615 17.965 ( -15.961 15.961 0.000) 22.572 18.790 ( -2.002 2.002 0.000) 2.832 21.101 ( 16.324 -16.324 -0.000) 23.086 21.936 ( 1.090 -1.090 -0.000) 1.542 22.127 ( 2.026 -2.026 -0.000) 2.865 23.289 ( -22.217 22.217 0.000) 31.420 27.169 ( 11.637 -11.637 -0.000) 16.457 27.924 ( -2.205 2.205 0.000) 3.118 29.588 ( 4.743 -4.743 -0.000) 6.708 30.478 ( 7.293 -7.293 -0.000) 10.314 32.444 ( 3.106 -3.106 -0.000) 4.392 34.093 ( 16.401 -16.401 -0.000) 23.194 ======================= Grid point 351 (108/120) ======================= q-point: (-0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -0.000 0.000 -34.335) 34.335 3.024 ( -0.000 0.000 -34.335) 34.335 5.245 ( -0.000 0.000 -48.361) 48.361 5.387 ( -0.000 0.000 -18.026) 18.026 5.387 ( -0.000 0.000 -18.026) 18.026 5.458 ( 0.000 -0.000 14.405) 14.405 5.948 ( 0.000 -0.000 13.245) 13.245 5.948 ( 0.000 -0.000 13.245) 13.245 6.816 ( -0.000 0.000 -20.827) 20.827 7.550 ( 0.000 -0.000 6.091) 6.091 7.550 ( 0.000 -0.000 6.091) 6.091 7.762 ( 0.000 -0.000 3.411) 3.411 9.721 ( 0.000 -0.000 7.392) 7.392 14.548 ( 0.000 -0.000 13.919) 13.919 14.548 ( 0.000 -0.000 13.919) 13.919 16.780 ( 0.000 -0.000 10.888) 10.888 17.914 ( -0.000 0.000 -7.136) 7.136 18.537 ( 0.000 -0.000 2.560) 2.560 18.537 ( 0.000 -0.000 2.560) 2.560 19.017 ( 0.000 -0.000 3.413) 3.413 19.622 ( 0.000 -0.000 2.562) 2.562 21.887 ( -0.000 0.000 -0.099) 0.099 22.117 ( 0.000 -0.000 2.154) 2.154 25.545 ( 0.000 -0.000 2.973) 2.973 26.268 ( -0.000 0.000 -6.826) 6.826 26.268 ( -0.000 0.000 -6.826) 6.826 29.279 ( -0.000 0.000 -2.518) 2.518 29.279 ( -0.000 0.000 -2.518) 2.518 32.597 ( -0.000 0.000 -5.124) 5.124 33.569 ( 0.000 -0.000 0.477) 0.477 ======================= Grid point 373 (109/120) ======================= q-point: (-0.41 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( -0.000 -11.707 -20.445) 23.559 3.931 ( -0.000 -21.706 -21.075) 30.254 5.121 ( 0.000 4.554 9.837) 10.840 5.674 ( -0.000 9.340 -11.389) 14.729 5.848 ( -0.000 -8.657 -13.386) 15.942 5.859 ( 0.000 -13.822 5.285) 14.798 5.873 ( -0.000 -9.084 -14.330) 16.967 6.335 ( -0.000 -26.101 -16.625) 30.946 6.948 ( -0.000 12.055 -3.685) 12.605 7.412 ( 0.000 -6.357 10.797) 12.529 7.556 ( 0.000 -10.841 4.442) 11.716 8.129 ( 0.000 -41.188 1.751) 41.226 9.374 ( 0.000 16.145 7.156) 17.660 14.277 ( 0.000 0.994 9.894) 9.944 14.304 ( 0.000 -1.760 8.488) 8.669 16.619 ( 0.000 -4.081 8.719) 9.627 17.798 ( -0.000 24.026 -4.197) 24.390 17.801 ( -0.000 50.639 1.928) 50.675 18.285 ( -0.000 21.422 0.866) 21.440 18.898 ( 0.000 6.012 0.742) 6.057 20.124 ( 0.000 -38.762 2.341) 38.832 21.898 ( 0.000 -0.900 -0.015) 0.901 22.081 ( 0.000 -0.468 1.508) 1.579 24.700 ( -0.000 49.390 -0.452) 49.392 26.512 ( -0.000 -10.294 -5.122) 11.498 27.221 ( 0.000 -51.568 -3.311) 51.674 29.341 ( -0.000 -2.328 -1.860) 2.980 29.498 ( 0.000 -16.250 0.651) 16.263 32.738 ( -0.000 -3.589 -4.921) 6.091 33.503 ( -0.000 5.734 0.280) 5.741 ======================= Grid point 391 (110/120) ======================= q-point: (-0.54 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( -0.000 2.390 -1.851) 3.023 4.577 ( -0.000 -12.596 -6.712) 14.273 4.874 ( 0.000 2.713 5.868) 6.465 5.637 ( -0.000 14.122 -6.629) 15.600 5.987 ( -0.000 12.370 -4.171) 13.055 6.210 ( -0.000 5.590 -8.271) 9.983 6.342 ( -0.000 -12.760 -6.599) 14.365 6.963 ( 0.000 -30.514 3.855) 30.757 7.294 ( 0.000 -49.904 -1.059) 49.916 7.477 ( 0.000 -12.182 0.238) 12.185 7.629 ( 0.000 -3.502 2.806) 4.487 8.789 ( 0.000 15.756 2.392) 15.937 9.347 ( 0.000 -67.919 1.620) 67.938 14.111 ( 0.000 0.119 4.341) 4.343 14.295 ( 0.000 -8.086 2.070) 8.347 16.563 ( 0.000 -5.051 5.086) 7.168 16.691 ( -0.000 53.695 1.230) 53.710 17.171 ( -0.000 41.118 0.072) 41.118 17.612 ( -0.000 46.338 -1.148) 46.352 18.808 ( -0.000 4.640 -1.870) 5.003 20.826 ( 0.000 -34.451 1.783) 34.497 21.925 ( 0.000 -2.019 0.052) 2.020 22.072 ( 0.000 -0.773 0.643) 1.006 23.842 ( -0.000 36.618 -0.868) 36.629 26.847 ( -0.000 -13.964 -2.540) 14.194 28.101 ( 0.000 -23.525 -2.361) 23.643 29.570 ( 0.000 -23.147 -0.572) 23.155 29.849 ( 0.000 -21.813 2.355) 21.940 32.951 ( -0.000 -8.042 -3.916) 8.945 33.329 ( -0.000 11.263 0.015) 11.263 ======================= Grid point 392 (111/120) ======================= q-point: (-0.54 -0.32 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( 3.995 -3.995 -10.528) 11.948 4.364 ( 9.508 -9.508 -4.457) 14.166 4.905 ( -3.241 3.241 5.771) 7.370 5.663 ( 8.158 -8.158 2.451) 11.795 5.788 ( -15.880 15.880 -7.355) 23.631 6.087 ( -3.109 3.109 -15.588) 16.197 6.398 ( 8.734 -8.734 -11.389) 16.801 6.907 ( -4.178 4.178 18.782) 19.689 7.022 ( 4.002 -4.002 -14.069) 15.165 7.216 ( 45.210 -45.210 2.070) 63.970 7.674 ( 10.235 -10.235 2.833) 14.749 8.449 ( 34.758 -34.758 0.769) 49.161 9.079 ( -13.601 13.601 5.713) 20.065 14.128 ( 0.248 -0.248 4.885) 4.898 14.204 ( 4.213 -4.213 3.364) 6.842 16.506 ( 2.739 -2.739 4.777) 6.150 17.028 ( -52.649 52.649 1.451) 74.471 17.661 ( -21.051 21.051 -2.095) 29.845 18.403 ( -5.481 5.481 0.173) 7.754 18.857 ( -2.305 2.305 -0.355) 3.279 20.330 ( 22.903 -22.903 1.350) 32.417 21.904 ( 0.648 -0.648 0.046) 0.918 22.067 ( 0.999 -0.999 0.745) 1.597 24.341 ( -30.827 30.827 -0.139) 43.596 26.690 ( 9.061 -9.061 -3.338) 13.243 27.578 ( 23.906 -23.906 -1.355) 33.835 29.419 ( 2.529 -2.529 -1.550) 3.898 29.662 ( 18.368 -18.368 1.025) 25.996 32.745 ( -6.510 6.510 -2.229) 9.473 33.565 ( 5.519 -5.519 -0.676) 7.834 ======================= Grid point 411 (112/120) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -0.000 14.766 0.000) 14.766 4.603 ( -0.000 18.534 0.000) 18.534 4.791 ( 0.000 -1.025 -0.000) 1.025 5.606 ( -0.000 22.014 0.000) 22.014 5.617 ( 0.000 -11.123 -0.000) 11.123 6.073 ( -0.000 14.145 0.000) 14.145 6.515 ( 0.000 -0.576 -0.000) 0.576 7.608 ( -0.000 1.548 0.000) 1.548 7.670 ( 0.000 -2.425 -0.000) 2.425 7.857 ( -0.000 8.889 0.000) 8.889 7.895 ( 0.000 -52.937 -0.000) 52.937 8.758 ( 0.000 -28.306 -0.000) 28.306 10.973 ( 0.000 -89.337 -0.000) 89.337 14.089 ( 0.000 -2.284 -0.000) 2.284 14.488 ( 0.000 -11.648 -0.000) 11.648 15.716 ( -0.000 38.720 0.000) 38.720 16.172 ( -0.000 59.738 0.000) 59.738 16.555 ( -0.000 54.458 0.000) 54.458 16.625 ( 0.000 -6.405 -0.000) 6.405 18.742 ( -0.000 5.296 0.000) 5.296 21.415 ( 0.000 -25.861 -0.000) 25.861 21.990 ( 0.000 -5.045 -0.000) 5.045 22.078 ( 0.000 -0.266 -0.000) 0.266 23.254 ( -0.000 24.089 0.000) 24.089 27.156 ( 0.000 -14.047 -0.000) 14.047 28.199 ( -0.000 11.397 0.000) 11.397 30.268 ( 0.000 -21.793 -0.000) 21.793 30.321 ( 0.000 -45.660 -0.000) 45.660 33.052 ( -0.000 16.113 0.000) 16.113 33.202 ( 0.000 -11.604 -0.000) 11.604 ======================= Grid point 412 (113/120) ======================= q-point: ( 0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 7.622 5.350 -0.000) 9.312 4.604 ( -5.427 -5.257 0.000) 7.555 4.780 ( -2.346 2.285 0.000) 3.275 5.482 ( -13.811 12.459 0.000) 18.600 6.082 ( -8.567 -10.459 -0.000) 13.520 6.282 ( 13.393 20.077 0.000) 24.134 6.388 ( -9.994 -23.103 -0.000) 25.172 6.654 ( 6.726 -6.925 -0.000) 9.654 7.262 ( -16.931 -6.715 0.000) 18.214 7.763 ( 5.691 -2.647 -0.000) 6.277 8.300 ( 59.016 -32.970 -0.000) 67.601 8.716 ( 5.065 0.580 -0.000) 5.098 9.530 ( 19.957 -72.140 -0.000) 74.849 14.080 ( 1.114 -0.286 -0.000) 1.150 14.323 ( 5.068 -9.819 -0.000) 11.049 15.884 ( -55.660 56.631 0.000) 79.405 16.527 ( 1.748 -4.538 -0.000) 4.864 17.094 ( -16.079 36.084 0.000) 39.504 17.941 ( 16.613 38.832 0.000) 42.237 18.818 ( -0.888 2.908 0.000) 3.041 20.866 ( 6.680 -29.202 -0.000) 29.956 21.925 ( 0.177 -1.704 -0.000) 1.714 22.085 ( 1.827 -1.307 -0.000) 2.246 23.686 ( -15.582 31.564 0.000) 35.201 26.960 ( 8.129 -13.078 -0.000) 15.399 28.035 ( -7.338 -16.983 -0.000) 18.500 29.509 ( 0.686 -6.336 -0.000) 6.373 30.159 ( 21.852 -30.370 -0.000) 37.415 32.635 ( -19.484 5.178 0.000) 20.160 33.700 ( 22.211 -5.833 -0.000) 22.964 ======================= Grid point 440 (114/120) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( -0.000 0.000 -25.834) 25.834 3.674 ( -0.000 0.000 -25.834) 25.834 5.176 ( 0.000 -0.000 11.684) 11.684 5.675 ( 0.000 -0.000 4.205) 4.205 5.675 ( 0.000 -0.000 4.205) 4.205 5.783 ( -0.000 0.000 -12.036) 12.036 5.783 ( -0.000 0.000 -12.036) 12.036 6.158 ( -0.000 0.000 -37.112) 37.112 7.190 ( -0.000 0.000 -14.065) 14.065 7.346 ( 0.000 -0.000 13.117) 13.117 7.346 ( 0.000 -0.000 13.117) 13.117 7.696 ( 0.000 -0.000 2.757) 2.757 9.548 ( 0.000 -0.000 8.701) 8.701 14.287 ( 0.000 -0.000 10.218) 10.218 14.287 ( 0.000 -0.000 10.218) 10.218 16.576 ( 0.000 -0.000 8.021) 8.021 18.054 ( -0.000 0.000 -5.836) 5.836 18.487 ( 0.000 -0.000 2.076) 2.076 18.487 ( 0.000 -0.000 2.076) 2.076 18.951 ( 0.000 -0.000 2.714) 2.714 19.572 ( 0.000 -0.000 2.063) 2.063 21.889 ( -0.000 0.000 -0.079) 0.079 22.076 ( 0.000 -0.000 1.607) 1.607 25.487 ( 0.000 -0.000 2.407) 2.407 26.401 ( -0.000 0.000 -5.446) 5.446 26.401 ( -0.000 0.000 -5.446) 5.446 29.330 ( -0.000 0.000 -2.174) 2.174 29.330 ( -0.000 0.000 -2.174) 2.174 32.701 ( -0.000 0.000 -4.504) 4.504 33.560 ( 0.000 -0.000 0.379) 0.379 ======================= Grid point 460 (115/120) ======================= q-point: (-0.48 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( -0.000 -2.609 -8.360) 8.758 4.254 ( -0.000 -15.250 -9.148) 17.783 4.942 ( 0.000 3.263 6.215) 7.020 5.825 ( 0.000 -23.996 -1.313) 24.032 5.902 ( -0.000 -11.057 -9.250) 14.416 6.044 ( -0.000 -6.068 -8.027) 10.062 6.145 ( -0.000 0.393 -14.746) 14.752 6.653 ( -0.000 -0.321 -3.523) 3.537 6.851 ( 0.000 9.398 11.883) 15.150 7.237 ( 0.000 -13.966 1.504) 14.047 7.520 ( 0.000 -7.169 -0.605) 7.194 8.100 ( 0.000 -42.993 0.969) 43.004 9.223 ( 0.000 14.042 6.362) 15.416 14.118 ( 0.000 0.391 5.005) 5.020 14.168 ( 0.000 -4.451 4.313) 6.198 16.478 ( 0.000 -3.066 4.472) 5.422 17.768 ( -0.000 50.845 1.101) 50.857 17.862 ( -0.000 26.471 -1.832) 26.535 18.278 ( -0.000 19.685 -0.056) 19.685 18.881 ( 0.000 2.598 0.645) 2.677 20.085 ( 0.000 -38.073 1.232) 38.093 21.898 ( 0.000 -0.800 -0.004) 0.800 22.056 ( 0.000 -0.621 0.804) 1.016 24.706 ( -0.000 47.904 -0.133) 47.904 26.599 ( -0.000 -9.884 -2.854) 10.288 27.278 ( 0.000 -51.357 -1.958) 51.394 29.373 ( -0.000 -1.735 -1.098) 2.053 29.495 ( 0.000 -12.543 -0.131) 12.544 32.824 ( -0.000 -4.388 -2.930) 5.276 33.498 ( -0.000 5.572 0.149) 5.574 ======================= Grid point 480 (116/120) ======================= q-point: ( 0.39 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( -0.000 5.455 0.000) 5.455 4.643 ( 0.000 -12.863 -0.000) 12.863 4.808 ( -0.000 2.695 0.000) 2.695 5.726 ( -0.000 21.040 0.000) 21.040 6.051 ( -0.000 21.416 0.000) 21.416 6.285 ( -0.000 6.029 0.000) 6.029 6.414 ( 0.000 -14.088 -0.000) 14.088 6.903 ( 0.000 -38.050 -0.000) 38.050 7.241 ( 0.000 -55.088 -0.000) 55.088 7.546 ( 0.000 -9.917 -0.000) 9.917 7.601 ( 0.000 -2.164 -0.000) 2.164 8.751 ( -0.000 15.928 0.000) 15.928 9.331 ( 0.000 -70.456 -0.000) 70.456 14.065 ( 0.000 -0.374 -0.000) 0.374 14.273 ( 0.000 -9.454 -0.000) 9.454 16.509 ( 0.000 -4.999 -0.000) 4.999 16.678 ( -0.000 53.738 0.000) 53.738 17.168 ( -0.000 42.440 0.000) 42.440 17.626 ( -0.000 45.828 0.000) 45.828 18.827 ( -0.000 3.224 0.000) 3.224 20.807 ( 0.000 -34.118 -0.000) 34.118 21.924 ( 0.000 -2.014 -0.000) 2.014 22.065 ( 0.000 -0.901 -0.000) 0.901 23.852 ( -0.000 36.309 0.000) 36.309 26.875 ( 0.000 -13.748 -0.000) 13.748 28.127 ( 0.000 -23.749 -0.000) 23.749 29.576 ( 0.000 -23.001 -0.000) 23.001 29.826 ( 0.000 -20.516 -0.000) 20.516 32.994 ( 0.000 -8.866 -0.000) 8.866 33.329 ( -0.000 11.189 0.000) 11.189 ======================= Grid point 481 (117/120) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 2.568 -2.568 -0.000) 3.632 4.405 ( 8.085 -8.085 -0.000) 11.434 4.842 ( -2.947 2.947 0.000) 4.168 5.645 ( 9.112 -9.112 -0.000) 12.886 5.882 ( -22.663 22.663 0.000) 32.051 6.412 ( -6.874 6.874 0.000) 9.721 6.514 ( 11.277 -11.277 -0.000) 15.949 6.545 ( -2.058 2.058 0.000) 2.910 7.171 ( 57.467 -57.467 -0.000) 81.271 7.182 ( -2.060 2.060 0.000) 2.913 7.659 ( 7.437 -7.437 -0.000) 10.518 8.440 ( 35.008 -35.008 -0.000) 49.509 9.009 ( -13.007 13.007 0.000) 18.395 14.076 ( 0.424 -0.424 -0.000) 0.600 14.168 ( 5.136 -5.136 -0.000) 7.263 16.455 ( 2.473 -2.473 -0.000) 3.498 17.013 ( -52.880 52.880 0.000) 74.783 17.683 ( -21.223 21.223 0.000) 30.014 18.402 ( -5.421 5.421 0.000) 7.667 18.861 ( -1.369 1.369 0.000) 1.936 20.315 ( 22.790 -22.790 -0.000) 32.230 21.904 ( 0.599 -0.599 -0.000) 0.847 22.059 ( 1.064 -1.064 -0.000) 1.505 24.343 ( -30.727 30.727 0.000) 43.455 26.726 ( 9.224 -9.224 -0.000) 13.045 27.593 ( 23.509 -23.509 -0.000) 33.247 29.436 ( 2.693 -2.693 -0.000) 3.809 29.652 ( 17.605 -17.605 -0.000) 24.897 32.769 ( -7.073 7.073 0.000) 10.003 33.573 ( 6.245 -6.245 -0.000) 8.832 ======================= Grid point 528 (118/120) ======================= q-point: (-0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.082 ( -0.000 0.000 -12.189) 12.189 4.082 ( -0.000 0.000 -12.189) 12.189 4.979 ( 0.000 -0.000 6.535) 6.535 5.564 ( 0.000 -0.000 2.816) 2.816 5.564 ( 0.000 -0.000 2.816) 2.816 6.143 ( -0.000 0.000 -18.766) 18.766 6.143 ( -0.000 0.000 -18.766) 18.766 6.792 ( -0.000 0.000 -21.573) 21.573 7.002 ( 0.000 -0.000 18.893) 18.893 7.002 ( 0.000 -0.000 18.893) 18.893 7.411 ( -0.000 0.000 -6.828) 6.828 7.649 ( 0.000 -0.000 1.539) 1.539 9.372 ( 0.000 -0.000 7.032) 7.032 14.122 ( 0.000 -0.000 5.222) 5.222 14.122 ( 0.000 -0.000 5.222) 5.222 16.446 ( 0.000 -0.000 4.132) 4.132 18.153 ( -0.000 0.000 -3.281) 3.281 18.452 ( 0.000 -0.000 1.161) 1.161 18.452 ( 0.000 -0.000 1.161) 1.161 18.906 ( 0.000 -0.000 1.498) 1.498 19.538 ( 0.000 -0.000 1.147) 1.147 21.890 ( -0.000 0.000 -0.044) 0.044 22.050 ( 0.000 -0.000 0.840) 0.840 25.446 ( 0.000 -0.000 1.345) 1.345 26.492 ( -0.000 0.000 -3.010) 3.010 26.492 ( -0.000 0.000 -3.010) 3.010 29.367 ( -0.000 0.000 -1.273) 1.273 29.367 ( -0.000 0.000 -1.273) 1.273 32.779 ( -0.000 0.000 -2.658) 2.658 33.554 ( 0.000 -0.000 0.209) 0.209 ======================= Grid point 552 (119/120) ======================= q-point: ( 0.44 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( -0.000 0.843 0.000) 0.843 4.344 ( 0.000 -12.965 -0.000) 12.965 4.874 ( -0.000 3.086 0.000) 3.086 5.851 ( 0.000 -28.823 -0.000) 28.823 5.990 ( 0.000 -38.016 -0.000) 38.016 6.230 ( -0.000 25.525 0.000) 25.525 6.424 ( -0.000 14.626 0.000) 14.626 6.555 ( 0.000 -3.137 -0.000) 3.137 6.588 ( 0.000 -3.794 -0.000) 3.794 7.282 ( 0.000 -15.799 -0.000) 15.799 7.534 ( 0.000 -3.973 -0.000) 3.973 8.089 ( 0.000 -43.618 -0.000) 43.618 9.146 ( -0.000 13.474 0.000) 13.474 14.065 ( -0.000 0.149 0.000) 0.149 14.122 ( 0.000 -5.367 -0.000) 5.367 16.430 ( 0.000 -2.736 -0.000) 2.736 17.756 ( -0.000 50.911 0.000) 50.911 17.880 ( -0.000 27.480 0.000) 27.480 18.280 ( -0.000 18.926 0.000) 18.926 18.874 ( -0.000 1.536 0.000) 1.536 20.072 ( 0.000 -37.873 -0.000) 37.873 21.898 ( 0.000 -0.763 -0.000) 0.763 22.048 ( 0.000 -0.663 -0.000) 0.663 24.707 ( -0.000 47.358 0.000) 47.358 26.629 ( 0.000 -9.747 -0.000) 9.747 27.300 ( 0.000 -51.286 -0.000) 51.286 29.385 ( 0.000 -1.520 -0.000) 1.520 29.497 ( 0.000 -11.458 -0.000) 11.458 32.856 ( 0.000 -4.706 -0.000) 4.706 33.497 ( -0.000 5.511 0.000) 5.511 ======================= Grid point 621 (120/120) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( 0.000 -0.000 0.000) 0.000 4.205 ( 0.000 -0.000 0.000) 0.000 4.908 ( 0.000 -0.000 0.000) 0.000 5.541 ( 0.000 -0.000 0.000) 0.000 5.541 ( 0.000 -0.000 0.000) 0.000 6.557 ( -0.000 0.000 -0.000) 0.000 6.557 ( -0.000 0.000 -0.000) 0.000 6.583 ( 0.000 -0.000 0.000) 0.000 6.583 ( 0.000 -0.000 0.000) 0.000 7.030 ( 0.000 -0.000 0.000) 0.000 7.483 ( 0.000 -0.000 0.000) 0.000 7.632 ( 0.000 -0.000 0.000) 0.000 9.289 ( 0.000 -0.000 0.000) 0.000 14.067 ( 0.000 -0.000 0.000) 0.000 14.067 ( 0.000 -0.000 0.000) 0.000 16.402 ( 0.000 -0.000 0.000) 0.000 18.188 ( 0.000 -0.000 0.000) 0.000 18.440 ( 0.000 -0.000 0.000) 0.000 18.440 ( 0.000 -0.000 0.000) 0.000 18.889 ( 0.000 -0.000 0.000) 0.000 19.525 ( 0.000 -0.000 0.000) 0.000 21.891 ( 0.000 -0.000 0.000) 0.000 22.041 ( 0.000 -0.000 0.000) 0.000 25.432 ( 0.000 -0.000 0.000) 0.000 26.525 ( 0.000 -0.000 0.000) 0.000 26.525 ( 0.000 -0.000 0.000) 0.000 29.381 ( 0.000 -0.000 0.000) 0.000 29.381 ( 0.000 -0.000 0.000) 0.000 32.808 ( 0.000 -0.000 0.000) 0.000 33.552 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/34020 10.0 1533.915 1533.915 3796.370 -0.000 0.000 -0.000 3/34020 20.0 999.892 999.892 829.067 -0.000 0.000 -0.000 3/34020 30.0 311.679 311.679 258.440 -0.000 0.000 -0.000 3/34020 40.0 132.111 132.111 110.012 -0.000 0.000 -0.000 3/34020 50.0 78.927 78.927 66.966 -0.000 0.000 -0.000 3/34020 60.0 57.017 57.017 49.178 -0.000 0.000 -0.000 3/34020 70.0 45.799 45.799 39.668 -0.000 0.000 -0.000 3/34020 80.0 39.200 39.200 33.655 -0.000 0.000 -0.000 3/34020 90.0 34.949 34.949 29.419 -0.000 0.000 -0.000 3/34020 100.0 32.041 32.041 26.222 -0.000 0.000 -0.000 3/34020 110.0 29.966 29.966 23.697 -0.000 0.000 -0.000 3/34020 120.0 28.433 28.433 21.641 -0.000 0.000 -0.000 3/34020 130.0 27.263 27.263 19.928 -0.000 0.000 -0.000 3/34020 140.0 26.335 26.335 18.476 -0.000 0.000 -0.000 3/34020 150.0 25.568 25.568 17.229 -0.000 0.000 -0.000 3/34020 160.0 24.909 24.909 16.145 -0.000 0.000 -0.000 3/34020 170.0 24.318 24.318 15.193 -0.000 0.000 -0.000 3/34020 180.0 23.773 23.773 14.351 -0.000 0.000 -0.000 3/34020 190.0 23.257 23.257 13.599 -0.000 0.000 -0.000 3/34020 200.0 22.760 22.760 12.924 -0.000 0.000 -0.000 3/34020 210.0 22.276 22.276 12.315 -0.000 0.000 -0.000 3/34020 220.0 21.804 21.804 11.761 -0.000 0.000 -0.000 3/34020 230.0 21.340 21.340 11.256 -0.000 0.000 -0.000 3/34020 240.0 20.885 20.885 10.793 -0.000 0.000 -0.000 3/34020 250.0 20.439 20.439 10.368 -0.000 0.000 -0.000 3/34020 260.0 20.002 20.002 9.975 -0.000 0.000 -0.000 3/34020 270.0 19.574 19.574 9.612 -0.000 0.000 -0.000 3/34020 280.0 19.156 19.156 9.275 -0.000 0.000 -0.000 3/34020 290.0 18.748 18.748 8.961 -0.000 0.000 -0.000 3/34020 300.0 18.351 18.351 8.668 -0.000 0.000 -0.000 3/34020 310.0 17.965 17.965 8.394 -0.000 0.000 -0.000 3/34020 320.0 17.589 17.589 8.137 -0.000 0.000 -0.000 3/34020 330.0 17.225 17.225 7.895 -0.000 0.000 -0.000 3/34020 340.0 16.871 16.871 7.668 -0.000 0.000 -0.000 3/34020 350.0 16.529 16.529 7.454 -0.000 0.000 -0.000 3/34020 360.0 16.196 16.196 7.252 -0.000 0.000 -0.000 3/34020 370.0 15.875 15.875 7.060 -0.000 0.000 -0.000 3/34020 380.0 15.563 15.563 6.879 -0.000 0.000 -0.000 3/34020 390.0 15.261 15.261 6.707 -0.000 0.000 -0.000 3/34020 400.0 14.968 14.968 6.543 -0.000 0.000 -0.000 3/34020 410.0 14.685 14.685 6.388 -0.000 0.000 -0.000 3/34020 420.0 14.411 14.411 6.239 -0.000 0.000 -0.000 3/34020 430.0 14.146 14.146 6.098 -0.000 0.000 -0.000 3/34020 440.0 13.889 13.889 5.963 -0.000 0.000 -0.000 3/34020 450.0 13.640 13.640 5.834 -0.000 0.000 -0.000 3/34020 460.0 13.398 13.398 5.710 -0.000 0.000 -0.000 3/34020 470.0 13.164 13.164 5.592 -0.000 0.000 -0.000 3/34020 480.0 12.938 12.938 5.478 -0.000 0.000 -0.000 3/34020 490.0 12.718 12.718 5.369 -0.000 0.000 -0.000 3/34020 500.0 12.505 12.505 5.265 -0.000 0.000 -0.000 3/34020 510.0 12.298 12.298 5.164 -0.000 0.000 -0.000 3/34020 520.0 12.098 12.098 5.068 -0.000 0.000 -0.000 3/34020 530.0 11.903 11.903 4.974 -0.000 0.000 -0.000 3/34020 540.0 11.714 11.714 4.885 -0.000 0.000 -0.000 3/34020 550.0 11.531 11.531 4.798 -0.000 0.000 -0.000 3/34020 560.0 11.352 11.352 4.715 -0.000 0.000 -0.000 3/34020 570.0 11.179 11.179 4.634 -0.000 0.000 -0.000 3/34020 580.0 11.011 11.011 4.556 -0.000 0.000 -0.000 3/34020 590.0 10.847 10.847 4.481 -0.000 0.000 -0.000 3/34020 600.0 10.688 10.688 4.408 -0.000 0.000 -0.000 3/34020 610.0 10.533 10.533 4.337 -0.000 0.000 -0.000 3/34020 620.0 10.382 10.382 4.269 -0.000 0.000 -0.000 3/34020 630.0 10.236 10.236 4.203 -0.000 0.000 -0.000 3/34020 640.0 10.093 10.093 4.139 -0.000 0.000 -0.000 3/34020 650.0 9.954 9.954 4.077 -0.000 0.000 -0.000 3/34020 660.0 9.818 9.818 4.016 -0.000 0.000 -0.000 3/34020 670.0 9.686 9.686 3.958 -0.000 0.000 -0.000 3/34020 680.0 9.558 9.558 3.901 -0.000 0.000 -0.000 3/34020 690.0 9.432 9.432 3.846 -0.000 0.000 -0.000 3/34020 700.0 9.310 9.310 3.792 -0.000 0.000 -0.000 3/34020 710.0 9.190 9.190 3.740 -0.000 0.000 -0.000 3/34020 720.0 9.074 9.074 3.689 -0.000 0.000 -0.000 3/34020 730.0 8.960 8.960 3.639 -0.000 0.000 -0.000 3/34020 740.0 8.849 8.849 3.591 -0.000 0.000 -0.000 3/34020 750.0 8.741 8.741 3.544 -0.000 0.000 -0.000 3/34020 760.0 8.635 8.635 3.499 -0.000 0.000 -0.000 3/34020 770.0 8.532 8.532 3.454 -0.000 0.000 -0.000 3/34020 780.0 8.431 8.431 3.411 -0.000 0.000 -0.000 3/34020 790.0 8.332 8.332 3.369 -0.000 0.000 -0.000 3/34020 800.0 8.235 8.235 3.327 -0.000 0.000 -0.000 3/34020 810.0 8.141 8.141 3.287 -0.000 0.000 -0.000 3/34020 820.0 8.048 8.048 3.248 -0.000 0.000 -0.000 3/34020 830.0 7.958 7.958 3.209 -0.000 0.000 -0.000 3/34020 840.0 7.870 7.870 3.172 -0.000 0.000 -0.000 3/34020 850.0 7.783 7.783 3.135 -0.000 0.000 -0.000 3/34020 860.0 7.698 7.698 3.099 -0.000 0.000 -0.000 3/34020 870.0 7.615 7.615 3.064 -0.000 0.000 -0.000 3/34020 880.0 7.534 7.534 3.030 -0.000 0.000 -0.000 3/34020 890.0 7.455 7.455 2.997 -0.000 0.000 -0.000 3/34020 900.0 7.377 7.377 2.964 -0.000 0.000 -0.000 3/34020 910.0 7.300 7.300 2.932 -0.000 0.000 -0.000 3/34020 920.0 7.226 7.226 2.901 -0.000 0.000 -0.000 3/34020 930.0 7.152 7.152 2.870 -0.000 0.000 -0.000 3/34020 940.0 7.080 7.080 2.840 -0.000 0.000 -0.000 3/34020 950.0 7.010 7.010 2.811 -0.000 0.000 -0.000 3/34020 960.0 6.941 6.941 2.782 -0.000 0.000 -0.000 3/34020 970.0 6.873 6.873 2.754 -0.000 0.000 -0.000 3/34020 980.0 6.806 6.806 2.726 -0.000 0.000 -0.000 3/34020 990.0 6.741 6.741 2.699 -0.000 0.000 -0.000 3/34020 1000.0 6.677 6.677 2.672 -0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m19126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|