----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:20:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.686712255413271 1.551174043897915 6.580923909999992 b -2.686712255413265 1.551174043897915 6.580923909999992 c 0.000000000000003 -3.102348087795835 6.580923909999992 Atomic positions (fractional): *1 O 0.74816630700288 0.27620578937126 0.27620578937125 15.999 2 O 0.27620578937125 0.27620578937126 0.74816630700288 15.999 3 O 0.27620578937125 0.74816630700288 0.27620578937125 15.999 4 O 0.72379421062875 0.25183369299712 0.72379421062875 15.999 5 O 0.25183369299712 0.72379421062875 0.72379421062875 15.999 *6 O 0.67115190029228 0.67115190029228 0.67115190029228 15.999 7 O 0.32884809970772 0.32884809970772 0.32884809970772 15.999 8 O 0.72379421062875 0.72379421062875 0.25183369299712 15.999 *9 P 0.40679309486473 0.40679309486473 0.40679309486473 30.974 10 P 0.59320690513527 0.59320690513527 0.59320690513527 30.974 *11 Sr 0.20640381774972 0.20640381774972 0.20640381774972 87.620 12 Sr 0.79359618225028 0.79359618225028 0.79359618225028 87.620 *13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.373424510826536 0.000000000000000 0.000000000000000 b -2.686712255413268 4.653522131693750 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742771729999998 Atomic positions (fractional): *1 O 0.64797367842108 0.82398683921054 0.10019262858180 15.999 > 1 2 O 0.17601316078946 0.35202632157892 0.10019262858180 15.999 > 2 3 O 0.17601316078946 0.82398683921054 0.10019262858180 15.999 > 3 4 O 0.49065350587721 0.50934649412279 0.23314070475154 15.999 > 4 5 O 0.01869298824558 0.50934649412279 0.23314070475154 15.999 > 5 *6 O 0.66666666666667 0.33333333333333 0.00448523362562 15.999 > 6 7 O 0.00000000000000 0.00000000000000 0.32884809970772 15.999 > 7 8 O 0.49065350587721 0.98130701175442 0.23314070475154 15.999 > 8 9 O 0.31464034508775 0.15732017254388 0.43352596191513 15.999 > 1 10 O 0.84267982745612 0.68535965491225 0.43352596191513 15.999 > 2 11 O 0.84267982745612 0.15732017254388 0.43352596191513 15.999 > 3 12 O 0.15732017254388 0.84267982745612 0.56647403808487 15.999 > 4 13 O 0.68535965491225 0.84267982745612 0.56647403808487 15.999 > 5 14 O 0.33333333333333 0.66666666666667 0.33781856695895 15.999 > 6 15 O 0.66666666666667 0.33333333333333 0.66218143304105 15.999 > 7 16 O 0.15732017254388 0.31464034508775 0.56647403808487 15.999 > 8 17 O 0.98130701175442 0.49065350587721 0.76685929524846 15.999 > 1 18 O 0.50934649412279 0.01869298824558 0.76685929524846 15.999 > 2 19 O 0.50934649412279 0.49065350587721 0.76685929524846 15.999 > 3 20 O 0.82398683921054 0.17601316078946 0.89980737141820 15.999 > 4 21 O 0.35202632157892 0.17601316078946 0.89980737141820 15.999 > 5 22 O 0.00000000000000 0.00000000000000 0.67115190029228 15.999 > 6 23 O 0.33333333333333 0.66666666666667 0.99551476637438 15.999 > 7 24 O 0.82398683921054 0.64797367842108 0.89980737141820 15.999 > 8 *25 P 0.33333333333333 0.66666666666667 0.07345976153139 30.974 > 9 26 P 0.33333333333333 0.66666666666667 0.25987357180194 30.974 > 10 27 P 0.00000000000000 0.00000000000000 0.40679309486473 30.974 > 9 28 P 0.00000000000000 0.00000000000000 0.59320690513527 30.974 > 10 29 P 0.66666666666667 0.33333333333333 0.74012642819806 30.974 > 9 30 P 0.66666666666667 0.33333333333333 0.92654023846861 30.974 > 10 *31 Sr 0.00000000000000 0.00000000000000 0.20640381774972 87.620 > 11 32 Sr 0.66666666666667 0.33333333333333 0.12692951558361 87.620 > 12 *33 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 13 34 Sr 0.66666666666667 0.33333333333333 0.53973715108305 87.620 > 11 35 Sr 0.33333333333333 0.66666666666667 0.46026284891695 87.620 > 12 36 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 13 37 Sr 0.33333333333333 0.66666666666667 0.87307048441639 87.620 > 11 38 Sr 0.00000000000000 0.00000000000000 0.79359618225028 87.620 > 12 39 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 13 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.373424510826536 0.000000000000000 0.000000000000000 b -2.686712255413268 4.653522131693750 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742771729999998 Atomic positions (fractional): *1 O 0.64797367842108 0.82398683921054 0.10019262858180 15.999 > 1 2 O 0.17601316078946 0.35202632157892 0.10019262858180 15.999 > 2 3 O 0.17601316078946 0.82398683921054 0.10019262858180 15.999 > 3 4 O 0.49065350587721 0.50934649412279 0.23314070475154 15.999 > 4 5 O 0.01869298824558 0.50934649412279 0.23314070475154 15.999 > 5 *6 O 0.66666666666667 0.33333333333333 0.00448523362562 15.999 > 6 7 O 0.00000000000000 0.00000000000000 0.32884809970772 15.999 > 7 8 O 0.49065350587721 0.98130701175442 0.23314070475154 15.999 > 8 9 O 0.31464034508775 0.15732017254388 0.43352596191513 15.999 > 1 10 O 0.84267982745612 0.68535965491225 0.43352596191513 15.999 > 2 11 O 0.84267982745612 0.15732017254388 0.43352596191513 15.999 > 3 12 O 0.15732017254388 0.84267982745612 0.56647403808487 15.999 > 4 13 O 0.68535965491225 0.84267982745612 0.56647403808487 15.999 > 5 14 O 0.33333333333333 0.66666666666667 0.33781856695895 15.999 > 6 15 O 0.66666666666667 0.33333333333333 0.66218143304105 15.999 > 7 16 O 0.15732017254388 0.31464034508775 0.56647403808487 15.999 > 8 17 O 0.98130701175442 0.49065350587721 0.76685929524846 15.999 > 1 18 O 0.50934649412279 0.01869298824558 0.76685929524846 15.999 > 2 19 O 0.50934649412279 0.49065350587721 0.76685929524846 15.999 > 3 20 O 0.82398683921054 0.17601316078946 0.89980737141820 15.999 > 4 21 O 0.35202632157892 0.17601316078946 0.89980737141820 15.999 > 5 22 O 0.00000000000000 0.00000000000000 0.67115190029228 15.999 > 6 23 O 0.33333333333333 0.66666666666667 0.99551476637438 15.999 > 7 24 O 0.82398683921054 0.64797367842108 0.89980737141820 15.999 > 8 *25 P 0.33333333333333 0.66666666666667 0.07345976153139 30.974 > 9 26 P 0.33333333333333 0.66666666666667 0.25987357180194 30.974 > 10 27 P 0.00000000000000 0.00000000000000 0.40679309486473 30.974 > 9 28 P 0.00000000000000 0.00000000000000 0.59320690513527 30.974 > 10 29 P 0.66666666666667 0.33333333333333 0.74012642819806 30.974 > 9 30 P 0.66666666666667 0.33333333333333 0.92654023846861 30.974 > 10 *31 Sr 0.00000000000000 0.00000000000000 0.20640381774972 87.620 > 11 32 Sr 0.66666666666667 0.33333333333333 0.12692951558361 87.620 > 12 *33 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 13 34 Sr 0.66666666666667 0.33333333333333 0.53973715108305 87.620 > 11 35 Sr 0.33333333333333 0.66666666666667 0.46026284891695 87.620 > 12 36 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 13 37 Sr 0.33333333333333 0.66666666666667 0.87307048441639 87.620 > 11 38 Sr 0.00000000000000 0.00000000000000 0.79359618225028 87.620 > 12 39 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 13 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1847230 0.0000000 0.0000000 0.0000000 3.1847230 0.0000000 0.0000000 0.0000000 3.2210484 -------------------------- Born effective charges -------------------------- 1 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 2 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 3 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 4 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 5 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 6 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 7 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 8 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 9 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 10 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 11 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 12 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 13 Sr 2.6126722 -0.0000000 0.0000000 0.0000000 2.6126722 -0.0000000 0.0000000 0.0000000 2.4989188 ---------------------------------------------------------------------------- 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: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 247 Number of blocks in projector: 278 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (247, 234), data: False |-- (60, 58), data: True |-- (75, 70), data: True |-- (112, 106), data: True ----- Solver_atoms: 1 -- 39 / 39 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.051 Solver_block: 160 / 160 - Time: 0.030 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.083 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 117/117 Permutation basis: 2955/2955 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 247 Number of blocks in projector: 278 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 75 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 60 Use standard eigh solver. Tree of FC basis block matrices: - (247, 234), data: False |-- (60, 58), data: True |-- (75, 70), data: True |-- (112, 106), 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 20:20:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.686712255413271 1.551174043897915 6.580923909999992 b -2.686712255413265 1.551174043897915 6.580923909999992 c 0.000000000000003 -3.102348087795835 6.580923909999992 Atomic positions (fractional): 1 O 0.74816630700288 0.27620578937126 0.27620578937125 15.999 2 O 0.27620578937125 0.27620578937126 0.74816630700288 15.999 3 O 0.27620578937125 0.74816630700288 0.27620578937125 15.999 4 O 0.72379421062875 0.25183369299712 0.72379421062875 15.999 5 O 0.25183369299712 0.72379421062875 0.72379421062875 15.999 6 O 0.67115190029228 0.67115190029228 0.67115190029228 15.999 7 O 0.32884809970772 0.32884809970772 0.32884809970772 15.999 8 O 0.72379421062875 0.72379421062875 0.25183369299712 15.999 9 P 0.40679309486473 0.40679309486473 0.40679309486473 30.974 10 P 0.59320690513527 0.59320690513527 0.59320690513527 30.974 11 Sr 0.20640381774972 0.20640381774972 0.20640381774972 87.620 12 Sr 0.79359618225028 0.79359618225028 0.79359618225028 87.620 13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.373424510826536 0.000000000000000 0.000000000000000 b -2.686712255413268 4.653522131693750 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742771729999998 Atomic positions (fractional): 1 O 0.64797367842108 0.82398683921054 0.10019262858180 15.999 > 1 2 O 0.17601316078946 0.35202632157892 0.10019262858180 15.999 > 2 3 O 0.17601316078946 0.82398683921054 0.10019262858180 15.999 > 3 4 O 0.49065350587721 0.50934649412279 0.23314070475154 15.999 > 4 5 O 0.01869298824558 0.50934649412279 0.23314070475154 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.00448523362562 15.999 > 6 7 O 0.00000000000000 0.00000000000000 0.32884809970772 15.999 > 7 8 O 0.49065350587721 0.98130701175442 0.23314070475154 15.999 > 8 9 O 0.31464034508775 0.15732017254388 0.43352596191513 15.999 > 1 10 O 0.84267982745612 0.68535965491225 0.43352596191513 15.999 > 2 11 O 0.84267982745612 0.15732017254388 0.43352596191513 15.999 > 3 12 O 0.15732017254388 0.84267982745612 0.56647403808487 15.999 > 4 13 O 0.68535965491225 0.84267982745612 0.56647403808487 15.999 > 5 14 O 0.33333333333333 0.66666666666667 0.33781856695895 15.999 > 6 15 O 0.66666666666667 0.33333333333333 0.66218143304105 15.999 > 7 16 O 0.15732017254388 0.31464034508775 0.56647403808487 15.999 > 8 17 O 0.98130701175442 0.49065350587721 0.76685929524846 15.999 > 1 18 O 0.50934649412279 0.01869298824558 0.76685929524846 15.999 > 2 19 O 0.50934649412279 0.49065350587721 0.76685929524846 15.999 > 3 20 O 0.82398683921054 0.17601316078946 0.89980737141820 15.999 > 4 21 O 0.35202632157892 0.17601316078946 0.89980737141820 15.999 > 5 22 O 0.00000000000000 0.00000000000000 0.67115190029228 15.999 > 6 23 O 0.33333333333333 0.66666666666667 0.99551476637438 15.999 > 7 24 O 0.82398683921054 0.64797367842108 0.89980737141820 15.999 > 8 25 P 0.33333333333333 0.66666666666667 0.07345976153139 30.974 > 25 26 P 0.33333333333333 0.66666666666667 0.25987357180194 30.974 > 26 27 P 0.00000000000000 0.00000000000000 0.40679309486473 30.974 > 25 28 P 0.00000000000000 0.00000000000000 0.59320690513527 30.974 > 26 29 P 0.66666666666667 0.33333333333333 0.74012642819806 30.974 > 25 30 P 0.66666666666667 0.33333333333333 0.92654023846861 30.974 > 26 31 Sr 0.00000000000000 0.00000000000000 0.20640381774972 87.620 > 31 32 Sr 0.66666666666667 0.33333333333333 0.12692951558361 87.620 > 32 33 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 33 34 Sr 0.66666666666667 0.33333333333333 0.53973715108305 87.620 > 31 35 Sr 0.33333333333333 0.66666666666667 0.46026284891695 87.620 > 32 36 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 33 37 Sr 0.33333333333333 0.66666666666667 0.87307048441639 87.620 > 31 38 Sr 0.00000000000000 0.00000000000000 0.79359618225028 87.620 > 32 39 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1847230 0.0000000 0.0000000 0.0000000 3.1847230 0.0000000 0.0000000 0.0000000 3.2210484 -------------------------- Born effective charges -------------------------- 1 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 2 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 3 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 4 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 5 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 6 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 7 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 8 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 9 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 10 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 11 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 12 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 13 Sr 2.6126722 -0.0000000 0.0000000 0.0000000 2.6126722 -0.0000000 0.0000000 0.0000000 2.4989188 ---------------------------------------------------------------------------- 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[ 6, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 20:20:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.686712255413271 1.551174043897915 6.580923909999992 b -2.686712255413265 1.551174043897915 6.580923909999992 c 0.000000000000003 -3.102348087795835 6.580923909999992 Atomic positions (fractional): 1 O 0.74816630700288 0.27620578937126 0.27620578937125 15.999 2 O 0.27620578937125 0.27620578937126 0.74816630700288 15.999 3 O 0.27620578937125 0.74816630700288 0.27620578937125 15.999 4 O 0.72379421062875 0.25183369299712 0.72379421062875 15.999 5 O 0.25183369299712 0.72379421062875 0.72379421062875 15.999 6 O 0.67115190029228 0.67115190029228 0.67115190029228 15.999 7 O 0.32884809970772 0.32884809970772 0.32884809970772 15.999 8 O 0.72379421062875 0.72379421062875 0.25183369299712 15.999 9 P 0.40679309486473 0.40679309486473 0.40679309486473 30.974 10 P 0.59320690513527 0.59320690513527 0.59320690513527 30.974 11 Sr 0.20640381774972 0.20640381774972 0.20640381774972 87.620 12 Sr 0.79359618225028 0.79359618225028 0.79359618225028 87.620 13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.373424510826536 0.000000000000000 0.000000000000000 b -2.686712255413268 4.653522131693750 0.000000000000000 c 0.000000000000000 0.000000000000000 19.742771729999998 Atomic positions (fractional): 1 O 0.64797367842108 0.82398683921054 0.10019262858180 15.999 > 1 2 O 0.17601316078946 0.35202632157892 0.10019262858180 15.999 > 2 3 O 0.17601316078946 0.82398683921054 0.10019262858180 15.999 > 3 4 O 0.49065350587721 0.50934649412279 0.23314070475154 15.999 > 4 5 O 0.01869298824558 0.50934649412279 0.23314070475154 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.00448523362562 15.999 > 6 7 O 0.00000000000000 0.00000000000000 0.32884809970772 15.999 > 7 8 O 0.49065350587721 0.98130701175442 0.23314070475154 15.999 > 8 9 O 0.31464034508775 0.15732017254388 0.43352596191513 15.999 > 1 10 O 0.84267982745612 0.68535965491225 0.43352596191513 15.999 > 2 11 O 0.84267982745612 0.15732017254388 0.43352596191513 15.999 > 3 12 O 0.15732017254388 0.84267982745612 0.56647403808487 15.999 > 4 13 O 0.68535965491225 0.84267982745612 0.56647403808487 15.999 > 5 14 O 0.33333333333333 0.66666666666667 0.33781856695895 15.999 > 6 15 O 0.66666666666667 0.33333333333333 0.66218143304105 15.999 > 7 16 O 0.15732017254388 0.31464034508775 0.56647403808487 15.999 > 8 17 O 0.98130701175442 0.49065350587721 0.76685929524846 15.999 > 1 18 O 0.50934649412279 0.01869298824558 0.76685929524846 15.999 > 2 19 O 0.50934649412279 0.49065350587721 0.76685929524846 15.999 > 3 20 O 0.82398683921054 0.17601316078946 0.89980737141820 15.999 > 4 21 O 0.35202632157892 0.17601316078946 0.89980737141820 15.999 > 5 22 O 0.00000000000000 0.00000000000000 0.67115190029228 15.999 > 6 23 O 0.33333333333333 0.66666666666667 0.99551476637438 15.999 > 7 24 O 0.82398683921054 0.64797367842108 0.89980737141820 15.999 > 8 25 P 0.33333333333333 0.66666666666667 0.07345976153139 30.974 > 25 26 P 0.33333333333333 0.66666666666667 0.25987357180194 30.974 > 26 27 P 0.00000000000000 0.00000000000000 0.40679309486473 30.974 > 25 28 P 0.00000000000000 0.00000000000000 0.59320690513527 30.974 > 26 29 P 0.66666666666667 0.33333333333333 0.74012642819806 30.974 > 25 30 P 0.66666666666667 0.33333333333333 0.92654023846861 30.974 > 26 31 Sr 0.00000000000000 0.00000000000000 0.20640381774972 87.620 > 31 32 Sr 0.66666666666667 0.33333333333333 0.12692951558361 87.620 > 32 33 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 33 34 Sr 0.66666666666667 0.33333333333333 0.53973715108305 87.620 > 31 35 Sr 0.33333333333333 0.66666666666667 0.46026284891695 87.620 > 32 36 Sr 0.66666666666667 0.33333333333333 0.33333333333333 87.620 > 33 37 Sr 0.33333333333333 0.66666666666667 0.87307048441639 87.620 > 31 38 Sr 0.00000000000000 0.00000000000000 0.79359618225028 87.620 > 32 39 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 33 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1847230 0.0000000 0.0000000 0.0000000 3.1847230 0.0000000 0.0000000 0.0000000 3.2210484 -------------------------- Born effective charges -------------------------- 1 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 2 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 3 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 4 O -2.1324931 0.3458275 0.2664952 0.3458275 -1.7331659 -0.1538610 0.3020681 -0.1743991 -1.6102013 5 O -2.1324931 -0.3458275 -0.2664952 -0.3458275 -1.7331659 -0.1538610 -0.3020681 -0.1743991 -1.6102013 6 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 7 O -1.3215284 -0.0000000 0.0000000 -0.0000000 -1.3215284 -0.0000000 0.0000000 0.0000000 -2.6652081 8 O -1.5335023 0.0000000 -0.0000000 0.0000000 -2.3321568 0.3077221 0.0000000 0.3487982 -1.6102013 9 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 10 P 3.2179273 0.0000000 0.0000000 0.0000000 3.2179273 -0.0000000 0.0000000 0.0000000 3.3718235 11 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 12 Sr 2.5957535 0.0000000 0.0000000 0.0000000 2.5957535 -0.0000000 0.0000000 0.0000000 2.8745290 13 Sr 2.6126722 -0.0000000 0.0000000 0.0000000 2.6126722 -0.0000000 0.0000000 0.0000000 2.4989188 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 11 11 11 ] 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: 0.76, Number of G-points: 279, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 15.895 ( 0.000 0.000 0.000) 0.000 15.895 ( 0.000 0.000 0.000) 0.000 16.007 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 27.429 ( 0.000 0.000 0.000) 0.000 27.594 ( 0.000 0.000 0.000) 0.000 29.128 ( 0.000 0.000 0.000) 0.000 29.128 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 0.000) 0.000 31.023 ( 0.000 0.000 0.000) 0.000 31.203 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 26.441 15.266 13.998) 33.587 0.670 ( 27.421 15.832 8.963) 32.907 0.864 ( 34.828 20.108 15.344) 43.044 1.722 ( 6.841 3.950 -2.468) 8.276 2.274 ( 8.521 4.920 -6.840) 11.983 3.258 ( 0.840 0.485 -0.608) 1.145 3.790 ( 0.760 0.439 -5.613) 5.681 4.108 ( -1.374 -0.793 0.067) 1.588 4.142 ( 0.805 0.465 3.431) 3.555 4.280 ( -0.927 -0.535 0.724) 1.292 4.461 ( 1.091 0.630 0.435) 1.332 4.830 ( -1.646 -0.951 -12.395) 12.540 4.881 ( -0.020 -0.012 0.397) 0.397 5.309 ( 9.459 5.461 -38.249) 39.778 5.575 ( -4.451 -2.570 0.312) 5.149 6.129 ( -5.486 -3.167 12.150) 13.702 6.270 ( -2.105 -1.215 -4.386) 5.014 6.368 ( 0.011 0.006 4.699) 4.699 6.429 ( 6.754 3.899 -1.777) 7.998 7.196 ( -1.475 -0.852 -1.161) 2.061 8.197 ( -12.948 -7.475 15.007) 21.183 11.741 ( -0.885 -0.511 0.318) 1.071 11.765 ( 1.344 0.776 -0.345) 1.590 12.674 ( -0.323 -0.187 -0.179) 0.414 12.731 ( 3.555 2.052 -0.461) 4.130 15.875 ( -1.800 -1.039 0.733) 2.204 15.964 ( -1.798 -1.038 -3.962) 4.473 16.181 ( 0.969 0.559 -0.872) 1.419 16.229 ( 4.492 2.594 1.216) 5.328 16.539 ( -0.729 -0.421 12.730) 12.758 17.800 ( -2.339 -1.350 -0.818) 2.822 27.423 ( -0.930 -0.537 1.033) 1.490 27.595 ( 0.117 0.067 -0.116) 0.178 29.124 ( -0.216 -0.125 -0.623) 0.671 29.168 ( 3.511 2.027 -0.380) 4.072 29.359 ( 0.930 0.537 0.649) 1.255 30.790 ( 13.072 7.547 -72.980) 74.524 31.198 ( -0.785 -0.453 1.776) 1.994 32.047 ( -18.062 -10.428 73.972) 76.857 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 25.090 14.486 8.412) 30.168 1.317 ( 25.898 14.952 12.610) 32.455 1.702 ( 33.071 19.093 13.995) 40.670 1.923 ( 11.992 6.924 -3.643) 14.318 2.498 ( 13.038 7.528 -3.681) 15.499 3.263 ( -0.016 -0.009 -2.594) 2.594 3.795 ( 2.161 1.247 -6.470) 6.934 4.065 ( -2.476 -1.429 0.664) 2.935 4.184 ( 1.264 0.730 3.857) 4.124 4.254 ( -1.244 -0.718 -0.812) 1.650 4.481 ( -0.236 -0.136 2.423) 2.438 4.712 ( -2.793 -1.612 -15.283) 15.619 4.892 ( 1.359 0.785 -1.050) 1.888 5.343 ( 3.466 2.001 -12.276) 12.912 5.445 ( -6.744 -3.894 0.254) 7.791 6.053 ( -4.789 -2.765 5.619) 7.884 6.195 ( -2.746 -1.585 -3.771) 4.927 6.380 ( -0.810 -0.468 4.511) 4.607 6.599 ( 8.525 4.922 -1.861) 10.018 7.143 ( -2.372 -1.370 -2.592) 3.771 7.879 ( -19.434 -11.220 7.739) 23.737 11.714 ( -1.556 -0.898 0.516) 1.869 11.803 ( 2.129 1.229 -0.533) 2.515 12.663 ( -0.576 -0.332 -0.304) 0.731 12.840 ( 6.069 3.504 -0.347) 7.016 15.829 ( -2.501 -1.444 1.318) 3.174 15.887 ( -3.916 -2.261 -0.564) 4.557 16.200 ( 1.112 0.642 -1.522) 1.992 16.362 ( 6.499 3.752 0.093) 7.505 16.605 ( 2.241 1.294 8.218) 8.616 17.720 ( -4.037 -2.331 -1.625) 4.937 27.402 ( -1.123 -0.648 0.294) 1.330 27.598 ( 0.220 0.127 -0.345) 0.428 29.115 ( -0.210 -0.121 -0.879) 0.912 29.275 ( 5.949 3.435 -0.607) 6.896 29.391 ( 1.417 0.818 0.920) 1.877 30.734 ( 4.361 2.518 -36.209) 36.557 31.185 ( -1.193 -0.689 2.366) 2.738 31.953 ( -12.585 -7.266 36.113) 38.927 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 18.918 10.923 6.102) 22.681 1.941 ( 24.403 14.089 10.534) 30.083 2.229 ( 16.671 9.625 -2.178) 19.373 2.457 ( 27.740 16.016 10.466) 33.698 2.803 ( 14.301 8.257 0.061) 16.514 3.232 ( -1.145 -0.661 -4.035) 4.246 3.810 ( 0.838 0.484 -5.733) 5.814 4.002 ( -3.905 -2.254 1.355) 4.708 4.229 ( 1.334 0.770 2.688) 3.098 4.233 ( 1.479 0.854 -4.346) 4.669 4.470 ( -2.048 -1.182 5.857) 6.316 4.577 ( -3.361 -1.940 -12.129) 12.735 4.931 ( 2.892 1.670 -3.996) 5.208 5.291 ( -6.882 -3.973 1.428) 8.074 5.342 ( 0.080 0.046 -5.905) 5.905 5.970 ( -4.026 -2.324 2.108) 5.104 6.119 ( -2.465 -1.423 -2.599) 3.855 6.375 ( -1.330 -0.768 3.841) 4.137 6.772 ( 6.924 3.998 -2.481) 8.372 7.074 ( -2.076 -1.199 -4.236) 4.867 7.419 ( -23.468 -13.549 6.989) 27.986 11.678 ( -1.794 -1.036 0.532) 2.139 11.851 ( 2.204 1.272 -0.527) 2.599 12.647 ( -0.669 -0.386 -0.332) 0.841 12.988 ( 6.832 3.945 -0.254) 7.894 15.781 ( -2.296 -1.325 1.604) 3.098 15.790 ( -4.526 -2.613 0.842) 5.293 16.214 ( 0.798 0.461 -1.786) 2.010 16.503 ( 6.004 3.466 -1.436) 7.080 16.708 ( 3.349 1.934 7.369) 8.322 17.614 ( -4.231 -2.443 -2.178) 5.349 27.380 ( -0.940 -0.542 0.253) 1.114 27.601 ( 0.225 0.130 -0.660) 0.709 29.108 ( -0.090 -0.052 -0.802) 0.809 29.418 ( 6.621 3.823 -0.655) 7.674 29.428 ( 1.408 0.813 0.845) 1.832 30.660 ( 1.159 0.669 -21.918) 21.959 31.169 ( -0.978 -0.565 1.695) 2.037 31.822 ( -10.693 -6.174 22.305) 25.495 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 10.271 5.930 1.855) 12.005 2.502 ( 21.219 12.251 7.618) 25.658 2.647 ( 19.337 11.164 1.363) 22.370 2.938 ( 11.198 6.465 0.808) 12.956 3.172 ( 16.253 9.384 9.021) 20.823 3.187 ( -1.188 -0.686 -2.645) 2.980 3.742 ( -5.014 -2.895 -5.815) 8.206 3.873 ( -6.926 -3.999 -4.662) 9.257 4.264 ( 0.822 0.474 1.768) 2.007 4.344 ( 9.496 5.482 -0.198) 10.966 4.453 ( -3.452 -1.993 -7.009) 8.063 4.464 ( -0.839 -0.484 6.755) 6.824 4.972 ( 2.330 1.345 -5.244) 5.894 5.168 ( -4.464 -2.577 3.265) 6.102 5.294 ( -1.725 -0.996 -5.837) 6.168 5.896 ( -2.844 -1.642 -0.413) 3.310 6.067 ( -1.298 -0.749 -1.285) 1.975 6.359 ( -1.358 -0.784 2.677) 3.103 6.767 ( -12.227 -7.059 -6.694) 15.625 6.980 ( -6.838 -3.948 4.454) 9.065 7.065 ( -1.354 -0.782 1.917) 2.474 11.643 ( -1.447 -0.835 0.384) 1.714 11.893 ( 1.649 0.952 -0.374) 1.940 12.632 ( -0.538 -0.311 -0.252) 0.671 13.129 ( 5.396 3.115 -0.170) 6.233 15.701 ( -3.522 -2.034 1.071) 4.206 15.743 ( -1.560 -0.901 1.358) 2.256 16.220 ( 0.424 0.245 -1.470) 1.550 16.618 ( 4.885 2.821 -1.819) 5.927 16.796 ( 1.177 0.680 5.557) 5.721 17.526 ( -2.436 -1.407 -1.909) 3.400 27.365 ( -0.505 -0.291 0.380) 0.695 27.602 ( 0.114 0.066 -0.781) 0.792 29.104 ( -0.002 -0.001 -0.539) 0.539 29.459 ( 1.011 0.584 0.569) 1.299 29.553 ( 5.258 3.036 -0.528) 6.094 30.592 ( -0.111 -0.064 -12.286) 12.286 31.159 ( -0.280 -0.161 0.515) 0.608 31.689 ( -7.961 -4.597 13.328) 16.191 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 3.433 1.982 0.299) 3.975 2.934 ( 13.397 7.735 3.002) 15.758 3.035 ( 11.354 6.555 -0.471) 13.119 3.066 ( 1.076 0.621 -0.228) 1.264 3.179 ( 2.152 1.242 2.879) 3.803 3.462 ( 2.654 1.532 11.117) 11.531 3.542 ( -8.991 -5.191 -4.773) 11.426 3.700 ( -2.344 -1.353 -11.211) 11.533 4.282 ( 0.223 0.129 0.780) 0.821 4.345 ( -2.746 -1.585 -1.406) 3.469 4.484 ( 0.173 0.100 2.919) 2.926 4.602 ( 8.082 4.666 2.598) 9.688 4.987 ( 0.732 0.423 -2.561) 2.697 5.142 ( 0.582 0.336 5.832) 5.871 5.221 ( -1.820 -1.051 -8.191) 8.457 5.837 ( -1.811 -1.046 -1.292) 2.458 6.047 ( -0.263 -0.152 -0.342) 0.457 6.343 ( -0.619 -0.357 0.983) 1.216 6.399 ( -11.419 -6.593 -0.160) 13.186 6.930 ( -0.965 -0.557 0.570) 1.251 7.096 ( 1.313 0.758 0.094) 1.519 11.620 ( -0.557 -0.322 0.138) 0.658 11.918 ( 0.613 0.354 -0.134) 0.721 12.622 ( -0.206 -0.119 -0.093) 0.256 13.215 ( 2.054 1.186 -0.066) 2.372 15.649 ( -1.315 -0.759 0.469) 1.589 15.724 ( -0.549 -0.317 0.537) 0.831 16.222 ( 0.127 0.073 -0.573) 0.592 16.704 ( 3.051 1.761 -1.432) 3.803 16.807 ( -1.309 -0.756 2.658) 3.057 17.489 ( -0.476 -0.275 -0.703) 0.892 27.359 ( -0.132 -0.076 0.212) 0.261 27.600 ( 0.018 0.011 -0.373) 0.374 29.102 ( 0.011 0.007 -0.188) 0.188 29.476 ( 0.366 0.211 0.199) 0.467 29.636 ( 2.032 1.173 -0.208) 2.355 30.549 ( -0.201 -0.116 -3.995) 4.002 31.160 ( 0.107 0.062 -0.078) 0.146 31.602 ( -3.120 -1.801 4.660) 5.890 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 29.268 10.979) 31.260 0.717 ( 0.000 28.022 18.435) 33.542 1.022 ( 0.000 34.599 35.072) 49.266 1.715 ( -0.000 8.203 -3.482) 8.911 2.243 ( -0.000 13.966 -10.774) 17.639 3.256 ( -0.000 0.992 -0.931) 1.360 3.785 ( -0.000 2.200 -6.785) 7.133 4.079 ( -0.000 -2.062 -5.465) 5.841 4.114 ( 0.000 -0.968 0.038) 0.969 4.287 ( 0.000 -0.934 1.683) 1.925 4.462 ( 0.000 1.213 0.603) 1.355 4.762 ( -0.000 6.007 -30.195) 30.786 4.892 ( 0.000 0.322 1.920) 1.947 5.118 ( -0.000 19.852 -29.770) 35.782 5.573 ( 0.000 -5.423 0.223) 5.428 6.227 ( 0.000 -5.001 12.003) 13.003 6.292 ( -0.000 -0.232 -4.457) 4.463 6.339 ( 0.000 -2.490 3.681) 4.444 6.416 ( -0.000 7.332 -1.651) 7.516 7.188 ( -0.000 -1.805 -2.484) 3.071 8.260 ( 0.000 -21.509 17.088) 27.471 11.745 ( 0.000 -0.943 0.939) 1.331 11.800 ( 0.000 3.331 3.394) 4.755 12.676 ( 0.000 -0.300 -0.015) 0.300 12.724 ( -0.000 4.009 -1.164) 4.174 15.860 ( -0.000 -2.687 -1.384) 3.023 15.942 ( -0.000 -0.926 -4.778) 4.867 16.197 ( 0.000 1.776 1.358) 2.236 16.215 ( -0.000 4.532 -0.498) 4.559 16.587 ( 0.000 -7.234 15.543) 17.144 17.794 ( -0.000 -2.749 -1.451) 3.109 27.430 ( 0.000 -1.696 1.628) 2.351 27.594 ( -0.000 0.079 -0.275) 0.286 29.124 ( -0.000 -0.116 -0.546) 0.558 29.178 ( -0.000 4.595 0.896) 4.682 29.359 ( 0.000 0.948 0.619) 1.133 30.457 ( -0.000 31.150 -69.310) 75.988 31.204 ( 0.000 -0.371 0.876) 0.952 32.391 ( 0.000 -38.242 72.441) 81.916 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 16.940 24.284 11.097) 31.619 1.211 ( 15.563 24.656 14.391) 32.515 1.628 ( 14.106 29.484 28.492) 43.360 1.850 ( 6.393 12.387 -4.420) 14.624 2.404 ( 6.636 13.944 -5.474) 16.384 3.256 ( -0.228 0.519 -2.786) 2.843 3.773 ( 0.111 4.606 -8.569) 9.729 4.062 ( 1.521 -2.994 -6.447) 7.269 4.117 ( 2.993 -3.448 2.077) 5.016 4.274 ( -1.331 -1.151 1.449) 2.280 4.472 ( -0.040 -0.506 0.806) 0.952 4.672 ( -1.522 2.855 -20.721) 20.972 4.901 ( -0.540 1.780 0.916) 2.073 5.233 ( 5.735 7.236 -13.117) 16.041 5.484 ( -3.464 -6.288 0.452) 7.193 6.156 ( -6.579 -3.935 9.263) 12.024 6.230 ( -3.435 0.338 -4.763) 5.882 6.374 ( 2.584 -2.550 4.795) 6.015 6.533 ( 5.019 8.172 -2.870) 10.010 7.140 ( -1.268 -2.526 -4.028) 4.921 8.014 ( -10.022 -21.201 8.543) 24.958 11.745 ( 0.167 -0.597 0.429) 0.754 11.821 ( -2.763 3.968 4.112) 6.348 12.671 ( -0.278 -0.003 -0.197) 0.341 12.793 ( 3.377 4.768 -1.000) 5.928 15.831 ( 0.201 -3.420 -0.651) 3.487 15.894 ( -1.184 -3.302 -2.186) 4.133 16.197 ( -0.899 1.813 0.451) 2.074 16.321 ( 4.511 5.776 -0.306) 7.335 16.606 ( 1.937 -2.481 8.967) 9.503 17.734 ( -2.206 -3.795 -2.253) 4.934 27.412 ( -0.792 -1.257 0.626) 1.612 27.594 ( 0.128 0.056 -0.583) 0.599 29.123 ( -0.134 0.382 -0.969) 1.051 29.231 ( 1.126 4.273 0.907) 4.511 29.403 ( 2.070 3.378 1.049) 4.098 30.510 ( 6.713 12.491 -40.869) 43.259 31.198 ( -0.600 -0.622 0.913) 1.258 32.227 ( -11.506 -21.313 43.134) 49.469 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 16.088 20.134 8.635) 27.181 1.792 ( 18.833 20.084 12.557) 30.261 2.108 ( 12.130 15.996 -4.231) 20.516 2.300 ( 18.781 23.019 18.717) 35.113 2.677 ( 11.374 12.530 0.609) 16.933 3.230 ( -1.006 0.220 -4.761) 4.871 3.799 ( 0.628 5.426 -7.707) 9.446 4.020 ( 0.606 -2.785 -4.518) 5.342 4.131 ( 1.857 -5.565 -0.163) 5.869 4.245 ( -0.259 -0.113 -0.579) 0.644 4.448 ( -0.064 -4.061 -1.058) 4.197 4.589 ( -2.617 1.245 -8.172) 8.671 4.925 ( 0.233 4.261 -1.978) 4.704 5.303 ( 2.309 2.488 -6.911) 7.700 5.352 ( -5.058 -6.034 1.491) 8.013 6.043 ( -6.127 -3.823 6.000) 9.390 6.154 ( -3.434 0.205 -3.734) 5.077 6.399 ( 0.028 -1.231 4.386) 4.555 6.694 ( 6.348 6.652 -3.351) 9.786 7.064 ( -1.726 -2.603 -6.005) 6.768 7.612 ( -15.766 -22.044 6.491) 27.868 11.731 ( -2.290 1.019 0.434) 2.544 11.842 ( -0.397 2.318 3.299) 4.052 12.664 ( -0.832 0.789 -0.360) 1.202 12.912 ( 5.781 4.065 -0.744) 7.106 15.788 ( -0.890 -3.742 0.044) 3.846 15.821 ( -2.424 -4.024 -0.106) 4.698 16.209 ( 0.069 1.692 -0.101) 1.696 16.455 ( 4.609 5.867 -1.296) 7.573 16.686 ( 4.342 -0.144 6.646) 7.940 17.632 ( -3.348 -4.306 -2.983) 6.217 27.389 ( -0.851 -0.930 0.394) 1.321 27.594 ( 0.243 -0.003 -1.021) 1.050 29.119 ( -0.668 1.136 -0.969) 1.635 29.303 ( 3.867 0.268 0.918) 3.983 29.498 ( 1.586 8.506 0.946) 8.704 30.530 ( 3.939 4.753 -25.007) 25.757 31.180 ( -0.981 -0.736 0.006) 1.226 32.022 ( -10.889 -15.130 27.658) 33.353 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 8.624 13.967 2.891) 16.668 2.343 ( 18.484 16.867 9.655) 26.821 2.519 ( 15.598 19.569 1.091) 25.049 2.816 ( 13.248 11.775 2.832) 17.949 3.043 ( 14.593 10.948 9.945) 20.778 3.201 ( -0.421 2.442 -2.444) 3.480 3.788 ( -3.762 2.758 -7.181) 8.564 3.953 ( -6.542 -3.165 -0.156) 7.269 4.107 ( 7.295 -6.038 -5.692) 11.049 4.290 ( 4.618 3.213 -2.152) 6.023 4.391 ( 0.122 -5.351 -2.661) 5.978 4.532 ( -2.561 -1.075 3.080) 4.148 4.973 ( 0.743 6.094 -2.660) 6.690 5.222 ( -4.645 -4.892 2.208) 7.098 5.296 ( -1.379 0.619 -5.834) 6.027 5.936 ( -4.538 -3.445 2.987) 6.433 6.091 ( -2.408 0.457 -2.468) 3.478 6.393 ( -1.668 -0.455 3.025) 3.484 6.789 ( -0.792 0.692 -8.017) 8.086 6.987 ( -0.331 -3.349 -5.094) 6.105 7.173 ( -13.359 -16.607 9.420) 23.303 11.699 ( -3.419 2.065 0.636) 4.045 11.877 ( 0.936 0.808 2.368) 2.672 12.656 ( -1.336 1.621 -0.362) 2.132 13.047 ( 6.483 2.068 -0.507) 6.824 15.724 ( -2.082 -4.610 0.483) 5.081 15.752 ( -1.385 -2.850 0.238) 3.177 16.229 ( -0.098 2.522 0.042) 2.524 16.572 ( 3.877 4.766 -1.951) 6.446 16.787 ( 3.534 0.158 5.076) 6.187 17.525 ( -2.291 -3.973 -3.133) 5.554 27.371 ( -0.582 -0.610 0.538) 1.000 27.593 ( 0.328 -0.080 -1.344) 1.386 29.116 ( -0.746 1.520 -0.725) 1.842 29.367 ( 4.273 -2.461 0.936) 5.019 29.621 ( 0.418 11.592 0.639) 11.617 30.521 ( 2.259 1.833 -14.221) 14.516 31.155 ( -0.547 -0.600 -1.878) 2.046 31.822 ( -8.926 -12.720 18.192) 23.925 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 2.630 10.329 0.519) 10.671 2.812 ( 14.672 12.643 5.426) 20.114 2.953 ( 11.450 16.277 1.594) 19.964 3.034 ( 4.934 3.484 0.340) 6.050 3.183 ( 2.317 2.813 -0.510) 3.680 3.457 ( 9.276 8.721 10.703) 16.633 3.635 ( -10.707 -3.120 -4.132) 11.894 3.762 ( -9.657 -0.127 -7.366) 12.146 4.165 ( 7.158 -8.190 -1.260) 10.950 4.324 ( -0.009 -5.479 -1.693) 5.734 4.440 ( 7.285 1.234 -5.279) 9.081 4.539 ( 2.329 2.005 9.451) 9.938 5.052 ( 0.285 9.189 0.937) 9.241 5.134 ( -0.404 -4.061 1.413) 4.318 5.220 ( -3.664 -0.678 -7.343) 8.234 5.853 ( -2.720 -2.755 0.821) 3.957 6.062 ( -1.058 1.198 -1.486) 2.182 6.355 ( -2.942 -2.942 0.602) 4.205 6.521 ( -12.474 -9.462 -4.597) 16.318 6.939 ( -0.895 -3.975 3.317) 5.254 7.067 ( 1.930 -0.165 -0.280) 1.957 11.668 ( -3.159 2.784 0.493) 4.239 11.906 ( 0.960 -0.394 1.961) 2.218 12.649 ( -1.543 2.288 -0.198) 2.766 13.153 ( 5.088 -0.667 -0.320) 5.141 15.654 ( -1.335 -3.427 0.324) 3.692 15.713 ( -0.058 -2.576 -0.366) 2.603 16.252 ( -1.060 3.668 0.544) 3.857 16.661 ( 3.213 3.117 -2.185) 4.982 16.832 ( -0.188 -0.868 3.086) 3.211 17.463 ( 0.512 -2.964 -2.197) 3.725 27.362 ( -0.290 -0.393 0.490) 0.691 27.592 ( 0.431 -0.104 -1.139) 1.222 29.116 ( -0.779 1.687 -0.410) 1.903 29.406 ( 3.392 -3.529 0.668) 4.940 29.728 ( -2.062 11.707 0.555) 11.900 30.521 ( 1.697 0.932 -5.039) 5.398 31.137 ( 0.644 -0.360 -4.186) 4.250 31.650 ( -5.447 -10.563 10.561) 15.899 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -3.981 6.578 -0.070) 7.689 3.036 ( -0.051 -0.944 -0.396) 1.025 3.099 ( -3.496 3.648 2.862) 5.807 3.120 ( -0.514 3.298 0.480) 3.373 3.303 ( -11.505 5.110 -3.767) 13.141 3.441 ( 5.119 1.908 -1.594) 5.690 3.485 ( -3.600 -0.360 -1.029) 3.762 3.764 ( 1.586 7.165 7.506) 10.497 4.169 ( 4.974 -8.507 -2.304) 10.120 4.293 ( 2.923 -4.367 1.687) 5.519 4.452 ( 1.233 -2.721 -5.418) 6.187 4.634 ( -1.753 -1.553 4.088) 4.712 5.074 ( -1.808 2.765 -1.269) 3.539 5.105 ( -2.447 -2.636 -8.618) 9.339 5.246 ( 3.825 5.766 9.892) 12.072 5.818 ( 1.179 -1.012 2.013) 2.543 6.057 ( -0.257 1.329 -1.580) 2.081 6.247 ( 3.126 -4.720 -0.912) 5.735 6.383 ( -1.905 1.921 -2.163) 3.464 6.921 ( 0.232 -1.463 2.280) 2.719 7.088 ( 0.840 -1.019 -1.288) 1.845 11.654 ( -2.185 3.450 0.175) 4.087 11.917 ( 0.275 -1.394 1.883) 2.359 12.647 ( -1.447 2.664 0.048) 3.032 13.194 ( 1.960 -3.200 -0.182) 3.757 15.623 ( 0.841 -1.788 -0.335) 2.005 15.697 ( 1.098 -1.887 -1.099) 2.444 16.265 ( -2.186 3.628 1.033) 4.360 16.712 ( 1.154 0.548 -1.756) 2.171 16.810 ( -1.741 -0.348 0.650) 1.890 17.456 ( 2.121 -2.291 -0.776) 3.217 27.357 ( -0.058 -0.263 0.072) 0.279 27.596 ( 0.488 -0.074 -0.398) 0.634 29.118 ( -0.824 1.695 -0.092) 1.887 29.418 ( 2.211 -4.250 0.234) 4.797 29.772 ( -5.818 9.904 0.751) 11.511 30.556 ( 1.787 1.052 3.502) 4.070 31.130 ( 1.608 -0.237 -5.880) 6.100 31.542 ( -0.101 -7.435 2.728) 7.921 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -10.950 2.553 -0.833) 11.274 2.755 ( -22.288 -6.929 -1.813) 23.411 2.927 ( -20.989 -2.550 -2.349) 21.273 3.038 ( -5.777 -2.603 0.829) 6.391 3.198 ( -0.184 2.217 1.471) 2.667 3.306 ( -11.598 -3.840 -9.232) 15.313 3.708 ( 8.061 7.163 5.324) 12.027 3.873 ( 1.426 4.378 7.161) 8.513 4.162 ( 4.130 -7.140 -1.884) 8.461 4.340 ( 4.909 -5.792 -0.386) 7.602 4.421 ( -0.153 0.955 -5.553) 5.637 4.501 ( -6.265 -3.895 2.759) 7.876 5.039 ( -1.408 -0.095 0.290) 1.441 5.092 ( 3.445 0.389 -3.726) 5.090 5.350 ( -1.814 4.590 9.038) 10.298 5.865 ( 2.513 -0.423 2.431) 3.522 6.076 ( 0.503 2.490 1.003) 2.731 6.339 ( 1.209 0.948 -1.813) 2.377 6.523 ( 21.554 6.279 -3.600) 22.736 6.930 ( 0.432 -0.914 1.687) 1.967 7.063 ( -0.853 -1.773 -1.103) 2.256 11.664 ( -1.051 3.948 -0.160) 4.089 11.905 ( -0.702 -2.082 1.934) 2.927 12.652 ( -1.144 2.614 0.256) 2.865 13.155 ( -1.834 -4.563 -0.107) 4.919 15.645 ( 3.288 -0.323 -0.892) 3.422 15.704 ( 2.131 -0.802 -1.618) 2.793 16.259 ( -2.376 1.980 1.422) 3.404 16.683 ( -3.456 -1.056 0.770) 3.694 16.783 ( -1.201 -0.236 -3.628) 3.829 17.483 ( 3.396 -1.250 0.491) 3.652 27.357 ( 0.332 -0.065 -0.234) 0.411 27.602 ( 0.305 -0.090 0.225) 0.390 29.120 ( -0.812 1.591 0.189) 1.796 29.401 ( 1.122 -4.980 -0.072) 5.105 29.730 ( -9.259 7.238 0.889) 11.786 30.635 ( 1.969 1.407 11.418) 11.672 31.129 ( 1.755 -0.216 -6.456) 6.693 31.531 ( 5.702 -3.682 -5.528) 8.754 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -19.016 -1.177 -2.724) 19.246 2.240 ( -27.637 -7.673 -3.845) 28.939 2.511 ( -22.390 -2.558 -0.621) 22.544 2.752 ( -23.972 -8.601 -4.752) 25.908 2.969 ( -13.659 -6.202 -1.110) 15.042 3.243 ( 0.842 1.780 2.682) 3.327 3.869 ( 0.177 5.427 4.609) 7.122 3.953 ( 3.278 1.781 -0.811) 3.818 4.152 ( 2.463 -5.834 0.170) 6.335 4.290 ( -2.713 -1.796 -1.941) 3.789 4.378 ( 3.055 -3.360 -1.192) 4.695 4.565 ( 5.996 2.333 4.107) 7.633 5.008 ( -3.619 -0.033 2.764) 4.554 5.182 ( 7.666 1.347 -2.646) 8.221 5.388 ( -1.602 2.681 5.794) 6.582 5.919 ( 3.406 0.140 0.671) 3.474 6.131 ( 1.053 3.791 3.498) 5.265 6.342 ( 0.778 0.218 -4.344) 4.419 6.857 ( -3.903 -0.884 2.036) 4.490 7.043 ( 23.571 4.479 -1.184) 24.022 7.061 ( 5.189 0.660 -2.444) 5.774 11.692 ( -0.229 4.052 -0.411) 4.079 11.872 ( -1.550 -2.416 1.925) 3.456 12.660 ( -0.739 2.040 0.327) 2.194 13.051 ( -4.930 -4.267 -0.064) 6.521 15.713 ( 4.905 0.125 -1.120) 5.033 15.739 ( 3.117 0.632 -1.460) 3.499 16.240 ( -1.764 0.162 1.545) 2.351 16.598 ( -6.194 -0.791 1.977) 6.549 16.710 ( -3.287 -2.076 -6.012) 7.159 17.555 ( 5.143 0.310 1.075) 5.264 27.366 ( 0.859 0.166 -0.188) 0.894 27.605 ( -0.024 -0.128 0.343) 0.367 29.124 ( -0.679 1.417 0.379) 1.616 29.359 ( -0.029 -5.265 -0.075) 5.266 29.621 ( -10.497 4.744 0.605) 11.535 30.751 ( 1.766 1.492 18.455) 18.599 31.128 ( 2.113 0.005 -7.285) 7.585 31.597 ( 8.993 -0.927 -12.152) 15.146 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -30.704 -5.155 -3.720) 31.355 1.666 ( -27.772 -4.108 -4.148) 28.379 2.122 ( -34.754 -8.324 -4.409) 36.008 2.151 ( -18.036 -1.372 0.705) 18.102 2.691 ( -14.191 -3.732 1.268) 14.728 3.276 ( 0.192 0.590 1.779) 1.884 3.878 ( -4.068 2.093 3.605) 5.824 4.029 ( 3.303 2.870 -1.408) 4.597 4.125 ( 1.676 -5.500 -2.097) 6.120 4.255 ( -0.282 -0.149 0.673) 0.745 4.425 ( 4.284 -1.044 -1.407) 4.628 4.709 ( 5.623 1.705 4.952) 7.684 4.946 ( -4.252 -0.040 1.294) 4.445 5.332 ( 8.749 1.424 -0.931) 8.913 5.405 ( -0.851 0.337 4.604) 4.694 5.987 ( 3.944 0.703 -0.646) 4.058 6.213 ( 1.409 4.345 4.905) 6.703 6.331 ( 1.309 -1.698 -5.310) 5.726 6.722 ( -8.752 -1.911 0.559) 8.975 7.112 ( 3.098 0.374 0.966) 3.266 7.538 ( 25.756 3.879 -3.148) 26.236 11.726 ( 0.108 3.331 -0.517) 3.372 11.826 ( -1.947 -2.238 1.572) 3.357 12.668 ( -0.288 1.017 0.225) 1.081 12.919 ( -6.335 -2.497 -0.004) 6.809 15.780 ( 3.589 0.314 -1.056) 3.754 15.819 ( 5.359 0.936 -0.408) 5.456 16.217 ( -1.317 -0.726 1.075) 1.849 16.471 ( -8.433 -0.943 0.817) 8.525 16.605 ( -3.282 -1.697 -4.500) 5.823 17.659 ( 5.519 0.781 0.747) 5.623 27.386 ( 1.201 0.223 -0.075) 1.224 27.602 ( -0.224 -0.094 0.173) 0.298 29.128 ( -0.434 1.069 0.376) 1.214 29.298 ( -1.936 -3.916 0.138) 4.370 29.492 ( -8.482 2.394 0.049) 8.813 30.887 ( 1.385 1.140 22.374) 22.446 31.134 ( 2.709 0.130 -8.202) 8.639 31.685 ( 8.839 0.155 -14.982) 17.396 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -32.137 -0.000 0.000) 32.137 1.123 ( -31.966 -0.000 0.000) 31.966 1.426 ( -40.015 -0.000 0.000) 40.015 1.883 ( -13.123 -0.000 0.000) 13.123 2.444 ( -12.563 -0.000 0.000) 12.563 3.275 ( -0.926 -0.000 0.000) 0.926 3.837 ( -2.763 -0.000 0.000) 2.763 4.097 ( 1.391 0.000 -0.000) 1.391 4.103 ( 1.640 0.000 -0.000) 1.640 4.264 ( 0.910 0.000 -0.000) 0.910 4.462 ( 0.855 0.000 -0.000) 0.855 4.815 ( 4.002 0.000 -0.000) 4.002 4.894 ( -1.936 -0.000 0.000) 1.936 5.411 ( -0.090 -0.000 0.000) 0.090 5.480 ( 7.548 0.000 -0.000) 7.548 6.053 ( 3.616 0.000 -0.000) 3.616 6.291 ( 0.913 0.000 -0.000) 0.913 6.311 ( 1.790 0.000 -0.000) 1.790 6.557 ( -9.217 -0.000 0.000) 9.217 7.167 ( 2.661 0.000 -0.000) 2.661 7.933 ( 19.168 0.000 -0.000) 19.168 11.747 ( 0.174 0.000 -0.000) 0.174 11.784 ( -1.799 -0.000 0.000) 1.799 12.672 ( 0.137 0.000 -0.000) 0.137 12.801 ( -5.767 -0.000 0.000) 5.767 15.835 ( 2.908 0.000 -0.000) 2.908 15.914 ( 4.935 0.000 -0.000) 4.935 16.194 ( -1.152 -0.000 0.000) 1.152 16.325 ( -7.809 -0.000 0.000) 7.809 16.535 ( -2.572 -0.000 0.000) 2.572 17.751 ( 4.352 0.000 -0.000) 4.352 27.407 ( 1.123 0.000 -0.000) 1.123 27.598 ( -0.217 -0.000 0.000) 0.217 29.130 ( -0.179 -0.000 0.000) 0.179 29.225 ( -4.123 -0.000 0.000) 4.123 29.396 ( -4.018 -0.000 0.000) 4.018 30.993 ( 1.705 0.000 -0.000) 1.705 31.155 ( 2.611 0.000 -0.000) 2.611 31.763 ( 5.758 0.000 -0.000) 5.758 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 26.437 10.293) 28.370 1.430 ( 0.000 28.789 15.349) 32.625 1.891 ( -0.000 13.903 -5.806) 15.067 1.971 ( 0.000 30.456 31.180) 43.586 2.497 ( -0.000 18.663 -3.452) 18.980 3.246 ( -0.000 -0.104 -4.211) 4.212 3.780 ( -0.000 5.167 -8.852) 10.250 3.946 ( -0.000 -3.662 -10.619) 11.233 4.084 ( 0.000 -2.070 -0.258) 2.086 4.281 ( 0.000 -1.276 1.569) 2.022 4.485 ( 0.000 -0.670 2.245) 2.343 4.616 ( -0.000 2.667 -18.740) 18.929 4.938 ( 0.000 2.850 1.866) 3.407 5.209 ( -0.000 6.972 -8.116) 10.700 5.448 ( 0.000 -7.157 0.845) 7.207 6.235 ( -0.000 -0.876 -5.080) 5.155 6.251 ( 0.000 -2.818 9.885) 10.279 6.314 ( 0.000 -3.657 4.042) 5.451 6.565 ( -0.000 9.370 -3.039) 9.851 7.099 ( -0.000 -3.510 -5.387) 6.430 7.892 ( 0.000 -26.016 5.219) 26.534 11.731 ( 0.000 -1.616 1.602) 2.275 11.929 ( 0.000 5.190 5.591) 7.628 12.667 ( 0.000 -0.579 -0.073) 0.584 12.817 ( -0.000 6.433 -1.389) 6.581 15.777 ( -0.000 -3.916 -1.963) 4.381 15.855 ( -0.000 -4.632 -1.883) 5.000 16.254 ( 0.000 2.325 1.881) 2.991 16.325 ( -0.000 7.221 -1.519) 7.379 16.595 ( 0.000 -2.395 7.113) 7.506 17.699 ( -0.000 -4.780 -2.718) 5.498 27.408 ( 0.000 -1.464 0.574) 1.572 27.590 ( -0.000 -0.070 -0.957) 0.960 29.114 ( -0.000 -0.204 -0.918) 0.940 29.320 ( 0.000 8.273 2.391) 8.611 29.393 ( 0.000 1.619 1.050) 1.929 30.420 ( -0.000 13.843 -33.818) 36.541 31.203 ( 0.000 -0.492 0.787) 0.928 32.272 ( 0.000 -24.975 35.696) 43.565 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 12.300 21.795 8.683) 26.490 1.850 ( 8.473 26.944 12.372) 30.836 2.077 ( 7.728 16.976 -5.415) 19.422 2.438 ( 6.155 25.566 21.712) 34.102 2.712 ( 3.649 18.737 4.533) 19.620 3.217 ( -0.055 -0.279 -5.985) 5.992 3.807 ( 0.723 5.919 -8.815) 10.642 3.882 ( 3.276 -4.105 -11.722) 12.844 4.080 ( 2.051 -2.548 1.262) 3.506 4.257 ( -1.990 -1.511 0.534) 2.555 4.441 ( -3.340 -2.499 -0.884) 4.264 4.580 ( 0.570 0.671 -7.295) 7.348 4.973 ( -0.750 5.100 -0.171) 5.157 5.251 ( 2.434 2.069 -7.088) 7.774 5.367 ( -2.471 -5.556 2.716) 6.660 6.151 ( -7.047 -3.884 6.154) 10.130 6.189 ( -2.902 -0.399 -3.553) 4.605 6.376 ( 3.808 -2.141 5.810) 7.269 6.667 ( 3.262 8.061 -4.115) 9.620 7.025 ( -0.937 -3.764 -7.165) 8.148 7.584 ( -7.153 -27.358 3.991) 28.558 11.732 ( 0.907 -1.443 1.206) 2.088 11.966 ( -4.444 5.518 5.830) 9.175 12.669 ( 0.725 -0.089 -0.197) 0.757 12.890 ( 1.861 5.954 -1.320) 6.376 15.739 ( 0.825 -4.661 -1.571) 4.988 15.794 ( -0.397 -5.270 -0.867) 5.356 16.255 ( -2.164 2.983 1.317) 3.913 16.435 ( 4.173 6.336 -1.838) 7.806 16.638 ( 3.253 -0.434 5.515) 6.418 17.618 ( -2.087 -5.190 -3.242) 6.466 27.393 ( -0.491 -1.146 0.557) 1.366 27.584 ( 0.149 -0.209 -1.450) 1.472 29.118 ( 0.921 0.044 -1.016) 1.372 29.329 ( -3.507 3.763 1.928) 5.494 29.524 ( 5.649 7.658 2.173) 9.761 30.421 ( 2.418 8.485 -24.817) 26.339 31.193 ( -1.034 -0.276 -0.060) 1.071 32.122 ( -6.674 -21.328 26.812) 34.904 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 10.279 15.390 3.395) 18.816 2.322 ( 11.847 23.357 8.562) 27.554 2.450 ( 15.823 20.133 -0.817) 25.620 2.806 ( 5.544 16.493 2.996) 17.656 3.023 ( 6.704 12.038 12.653) 18.707 3.222 ( 2.168 5.978 0.546) 6.382 3.784 ( 2.385 -2.377 -11.253) 11.746 3.914 ( 3.090 3.862 -7.113) 8.664 4.072 ( -4.265 -2.214 2.441) 5.390 4.220 ( 2.661 -1.458 -1.463) 3.369 4.350 ( -2.329 -4.466 -0.903) 5.117 4.556 ( -1.224 -1.699 1.272) 2.450 5.017 ( 0.068 6.082 -1.507) 6.266 5.217 ( -0.951 -5.743 -3.702) 6.898 5.318 ( -2.040 1.485 -0.913) 2.684 6.017 ( -6.958 -4.320 5.819) 10.047 6.123 ( -2.483 0.409 -4.084) 4.798 6.421 ( 0.229 -0.736 4.052) 4.125 6.768 ( 2.232 4.421 -6.154) 7.899 6.923 ( -1.628 -5.916 -8.819) 10.743 7.204 ( -8.515 -22.971 7.526) 25.628 11.740 ( 0.541 -0.312 0.438) 0.762 11.956 ( -5.205 4.468 5.394) 8.726 12.684 ( 0.326 1.492 -0.358) 1.569 12.976 ( 3.517 3.079 -1.011) 4.782 15.687 ( -0.205 -5.604 -0.887) 5.677 15.736 ( -0.652 -4.418 -0.236) 4.472 16.269 ( -0.630 3.606 1.262) 3.872 16.551 ( 3.806 5.035 -2.111) 6.655 16.734 ( 4.693 0.538 3.992) 6.185 17.508 ( -2.764 -5.049 -3.500) 6.736 27.377 ( -0.545 -0.745 0.765) 1.200 27.578 ( 0.345 -0.309 -1.865) 1.922 29.133 ( 0.624 1.027 -0.857) 1.476 29.327 ( -0.519 0.935 1.670) 1.983 29.710 ( 3.832 11.211 2.246) 12.059 30.432 ( 2.852 4.287 -16.439) 17.226 31.163 ( -1.806 0.091 -1.920) 2.638 31.903 ( -8.256 -18.602 19.633) 28.278 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.097 13.397 0.693) 14.351 2.756 ( 11.206 17.480 3.755) 21.101 2.918 ( 15.382 17.505 1.493) 23.351 2.997 ( 4.409 6.313 0.460) 7.714 3.151 ( 2.100 3.480 -1.900) 4.487 3.473 ( 6.453 12.887 9.237) 17.119 3.768 ( -2.139 1.744 -4.101) 4.943 3.885 ( -7.056 -3.653 0.300) 7.951 3.974 ( 0.578 -1.797 -3.760) 4.207 4.268 ( -0.190 -5.502 1.511) 5.709 4.326 ( 6.603 1.979 -2.217) 7.240 4.541 ( 1.180 -1.769 5.873) 6.246 5.065 ( 1.336 -1.820 -1.316) 2.613 5.138 ( -0.852 0.197 0.452) 0.984 5.267 ( -4.475 2.317 -7.050) 8.666 5.896 ( -5.080 -3.749 3.829) 7.384 6.082 ( -1.235 1.266 -3.745) 4.142 6.390 ( -4.211 -3.732 0.737) 5.675 6.590 ( -10.004 -10.046 -6.492) 15.593 6.886 ( 3.529 -4.164 1.189) 5.586 7.037 ( -0.007 -4.067 2.031) 4.546 11.745 ( -1.035 2.000 -0.102) 2.254 11.934 ( -3.515 1.661 4.586) 6.012 12.702 ( -0.899 3.403 -0.309) 3.533 13.052 ( 4.565 -1.040 -0.667) 4.730 15.626 ( -0.299 -4.909 -0.466) 4.940 15.684 ( -0.500 -3.578 -0.416) 3.636 16.312 ( -0.134 4.627 1.302) 4.808 16.640 ( 2.642 3.829 -1.939) 5.040 16.816 ( 2.505 -0.463 2.312) 3.441 17.413 ( -0.708 -4.252 -2.965) 5.231 27.367 ( -0.462 -0.498 0.815) 1.061 27.574 ( 0.648 -0.282 -1.785) 1.920 29.148 ( -0.335 2.228 -0.512) 2.310 29.340 ( 1.350 -1.511 1.195) 2.353 29.879 ( 0.427 13.381 1.628) 13.487 30.459 ( 3.701 1.945 -7.879) 8.920 31.119 ( -1.678 0.276 -4.654) 4.955 31.676 ( -6.828 -16.603 13.554) 22.494 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -1.892 11.020 0.126) 11.182 2.983 ( 4.546 1.328 -1.965) 5.128 3.166 ( 2.809 7.895 1.527) 8.518 3.187 ( 1.709 9.482 2.332) 9.913 3.325 ( 11.764 5.857 0.590) 13.155 3.560 ( -11.605 7.231 -5.580) 14.768 3.622 ( -10.298 -1.100 0.375) 10.363 3.848 ( -0.433 9.435 1.532) 9.568 3.973 ( 6.612 -9.873 3.726) 12.453 4.224 ( 0.022 -6.106 5.964) 8.535 4.385 ( 0.774 0.492 -4.862) 4.948 4.646 ( 4.104 -0.285 7.384) 8.453 5.000 ( 1.199 -6.701 -6.518) 9.425 5.123 ( -3.479 -3.960 -4.915) 7.208 5.283 ( 5.291 10.352 2.678) 11.930 5.815 ( -2.091 -2.609 2.887) 4.418 6.045 ( -1.316 -1.827 -7.088) 7.437 6.216 ( -4.222 -6.018 3.881) 8.313 6.430 ( -3.504 -0.108 -2.884) 4.540 6.904 ( 1.439 -2.375 3.522) 4.485 7.042 ( 2.017 -1.209 -2.250) 3.254 11.744 ( -2.603 4.489 -0.516) 5.214 11.914 ( -1.221 -1.555 3.765) 4.252 12.716 ( -2.065 4.604 -0.004) 5.046 13.098 ( 4.179 -4.393 -0.459) 6.080 15.586 ( 0.555 -3.056 -0.401) 3.131 15.651 ( 0.692 -2.823 -0.854) 3.029 16.352 ( -1.720 4.790 0.943) 5.176 16.694 ( 1.150 2.315 -1.703) 3.095 16.829 ( -0.336 -1.220 0.989) 1.606 17.380 ( 2.262 -3.314 -1.687) 4.352 27.358 ( -0.370 -0.404 0.407) 0.682 27.579 ( 0.937 -0.141 -1.039) 1.406 29.159 ( -1.177 2.883 -0.174) 3.119 29.348 ( 1.726 -3.201 0.540) 3.676 29.983 ( -4.484 12.957 0.772) 13.733 30.531 ( 4.599 1.634 1.436) 5.088 31.072 ( -0.178 -0.244 -8.165) 8.171 31.490 ( -3.046 -13.552 7.774) 15.918 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -9.203 6.205 -0.499) 11.110 3.008 ( -3.983 -0.119 0.288) 3.995 3.151 ( -16.075 -1.722 2.180) 16.313 3.193 ( -5.585 2.710 1.225) 6.328 3.278 ( -9.035 0.442 -1.690) 9.203 3.421 ( -9.064 2.187 -8.293) 12.478 3.679 ( 6.922 11.592 1.685) 13.606 3.878 ( 3.508 -5.291 0.623) 6.379 4.074 ( 2.460 2.931 6.447) 7.497 4.212 ( 2.688 -6.426 5.572) 8.920 4.373 ( 1.368 1.423 -6.349) 6.649 4.587 ( -7.832 -7.206 2.113) 10.850 4.957 ( 4.262 -3.824 -4.689) 7.401 5.058 ( 1.052 -0.902 -3.789) 4.034 5.480 ( 0.434 6.799 7.593) 10.201 5.825 ( 2.518 -1.354 3.179) 4.276 6.042 ( 8.746 1.107 -4.272) 9.796 6.229 ( 6.139 0.896 2.995) 6.889 6.372 ( -1.475 0.153 -5.131) 5.341 6.927 ( 0.871 -0.538 3.844) 3.978 7.038 ( 0.603 -1.928 -2.799) 3.451 11.743 ( -2.797 5.407 -0.852) 6.147 11.895 ( -0.118 -3.232 3.015) 4.421 12.721 ( -2.646 4.308 0.281) 5.064 13.102 ( 2.103 -5.297 -0.345) 5.710 15.585 ( 2.227 -1.395 -0.490) 2.673 15.648 ( 2.126 -1.612 -1.077) 2.877 16.345 ( -3.853 2.874 0.572) 4.841 16.707 ( -0.560 0.721 -1.116) 1.442 16.805 ( -1.768 -0.384 -0.193) 1.819 17.400 ( 3.857 -2.360 -0.479) 4.547 27.352 ( -0.038 -0.254 -0.026) 0.258 27.591 ( 0.860 -0.058 -0.240) 0.895 29.163 ( -1.592 2.717 0.044) 3.149 29.339 ( 1.201 -3.797 0.061) 3.982 29.977 ( -9.316 9.078 0.504) 13.018 30.656 ( 4.215 2.624 10.489) 11.604 31.037 ( 2.405 -1.117 -12.082) 12.370 31.394 ( 1.976 -8.592 2.098) 9.063 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -15.578 1.546 -0.891) 15.680 2.672 ( -27.869 -0.946 0.453) 27.888 2.891 ( -23.031 0.187 -1.403) 23.075 2.996 ( -9.596 -1.811 0.639) 9.786 3.153 ( -16.602 -3.968 -3.136) 17.355 3.261 ( -0.026 1.642 0.582) 1.742 3.863 ( 6.623 2.339 -2.787) 7.557 3.944 ( 3.057 3.257 5.012) 6.713 4.110 ( -2.344 -0.577 2.606) 3.552 4.213 ( 3.760 -3.894 -2.440) 5.937 4.382 ( -4.774 -2.718 -0.433) 5.511 4.470 ( 6.481 -0.573 0.780) 6.553 5.026 ( 5.781 -0.899 1.770) 6.113 5.060 ( 1.852 0.074 -4.013) 4.420 5.501 ( -4.734 2.886 3.952) 6.808 5.863 ( 2.982 -0.876 0.781) 3.205 6.173 ( 1.588 3.926 4.757) 6.369 6.317 ( -0.802 -0.778 -4.770) 4.899 6.568 ( 28.052 1.748 -2.505) 28.218 6.934 ( -2.578 -0.464 2.020) 3.308 7.021 ( 1.658 -1.041 -1.061) 2.227 11.747 ( -1.780 4.042 -0.795) 4.488 11.872 ( -0.464 -2.780 1.935) 3.418 12.712 ( -2.408 2.392 0.268) 3.404 13.065 ( -1.182 -3.349 -0.188) 3.556 15.628 ( 4.082 -0.507 -0.504) 4.144 15.681 ( 3.252 -0.254 -0.741) 3.345 16.297 ( -3.732 0.730 0.496) 3.835 16.682 ( -2.575 0.208 0.366) 2.610 16.744 ( -4.708 -0.664 -1.837) 5.097 17.463 ( 5.472 -0.752 0.203) 5.527 27.354 ( 0.537 -0.047 -0.100) 0.548 27.602 ( 0.418 -0.049 0.072) 0.427 29.159 ( -1.466 1.677 0.108) 2.230 29.318 ( 0.313 -2.832 -0.048) 2.850 29.860 ( -11.846 3.977 0.384) 12.501 30.809 ( 2.978 2.661 16.318) 16.800 31.020 ( 4.147 -1.346 -14.251) 14.903 31.408 ( 6.335 -3.377 -2.168) 7.499 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -22.542 -0.000 0.000) 22.542 2.158 ( -31.448 -0.000 0.000) 31.448 2.493 ( -22.573 -0.000 0.000) 22.573 2.623 ( -29.054 -0.000 0.000) 29.054 2.902 ( -12.265 -0.000 0.000) 12.265 3.278 ( 0.527 0.000 -0.000) 0.527 3.952 ( 1.941 0.000 -0.000) 1.941 4.024 ( -2.303 -0.000 0.000) 2.303 4.036 ( 2.210 0.000 -0.000) 2.210 4.258 ( 1.305 0.000 -0.000) 1.305 4.335 ( 3.034 0.000 -0.000) 3.034 4.609 ( 7.977 0.000 -0.000) 7.977 5.019 ( -3.373 -0.000 0.000) 3.373 5.179 ( 9.321 0.000 -0.000) 9.321 5.451 ( -3.233 -0.000 0.000) 3.233 5.921 ( 3.934 0.000 -0.000) 3.934 6.244 ( 1.838 0.000 -0.000) 1.838 6.278 ( -0.360 -0.000 0.000) 0.360 6.848 ( -6.793 -0.000 0.000) 6.793 7.051 ( 11.449 0.000 -0.000) 11.449 7.086 ( 21.370 0.000 -0.000) 21.370 11.748 ( -0.561 -0.000 0.000) 0.561 11.846 ( -1.403 -0.000 0.000) 1.403 12.690 ( -1.470 -0.000 0.000) 1.470 12.999 ( -4.461 -0.000 0.000) 4.461 15.703 ( 5.001 0.000 -0.000) 5.001 15.741 ( 4.116 0.000 -0.000) 4.116 16.248 ( -2.414 -0.000 0.000) 2.414 16.617 ( -8.207 -0.000 0.000) 8.207 16.640 ( -3.071 -0.000 0.000) 3.071 17.563 ( 6.204 0.000 -0.000) 6.204 27.367 ( 1.029 0.000 -0.000) 1.029 27.605 ( -0.025 -0.000 0.000) 0.025 29.147 ( -0.929 -0.000 0.000) 0.929 29.300 ( -0.698 -0.000 0.000) 0.698 29.678 ( -11.433 -0.000 0.000) 11.433 30.920 ( 2.242 0.000 -0.000) 2.242 31.041 ( 4.275 0.000 -0.000) 4.275 31.511 ( 8.155 0.000 -0.000) 8.155 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 19.301 7.571) 20.733 2.108 ( 0.000 28.011 10.121) 29.783 2.151 ( -0.000 18.348 -5.030) 19.025 2.716 ( 0.000 22.730 12.020) 25.713 2.937 ( 0.000 21.712 16.449) 27.239 3.170 ( -0.000 -1.594 -7.947) 8.106 3.758 ( -0.000 -3.880 -13.020) 13.586 3.829 ( -0.000 6.731 -6.566) 9.403 4.023 ( 0.000 -3.859 -0.927) 3.969 4.270 ( 0.000 -0.695 0.533) 0.876 4.469 ( 0.000 -3.780 3.993) 5.498 4.535 ( -0.000 2.156 -8.389) 8.661 5.035 ( -0.000 5.657 0.432) 5.673 5.195 ( -0.000 -2.531 -7.818) 8.217 5.363 ( 0.000 -2.152 4.135) 4.662 6.174 ( -0.000 -0.628 -4.620) 4.662 6.273 ( 0.000 -4.168 3.990) 5.770 6.294 ( 0.000 -2.114 9.346) 9.582 6.695 ( -0.000 6.933 -5.055) 8.580 6.958 ( -0.000 -4.327 -8.214) 9.284 7.380 ( 0.000 -28.570 2.618) 28.689 11.713 ( 0.000 -1.811 1.774) 2.534 12.090 ( 0.000 5.448 6.158) 8.222 12.652 ( 0.000 -0.730 -0.142) 0.744 12.936 ( -0.000 6.755 -1.513) 6.922 15.679 ( -0.000 -4.004 -1.981) 4.468 15.736 ( 0.000 -6.036 -0.765) 6.085 16.317 ( 0.000 2.179 1.832) 2.846 16.438 ( -0.000 5.570 -2.974) 6.315 16.640 ( 0.000 1.701 4.916) 5.202 17.570 ( -0.000 -5.230 -3.306) 6.188 27.389 ( 0.000 -0.995 0.762) 1.253 27.572 ( -0.000 -0.420 -1.922) 1.968 29.101 ( -0.000 -0.234 -0.998) 1.025 29.438 ( 0.000 1.794 1.155) 2.134 29.534 ( 0.000 9.987 4.435) 10.928 30.380 ( -0.000 8.250 -21.401) 22.936 31.203 ( -0.000 0.621 -0.574) 0.846 32.076 ( 0.000 -22.390 22.661) 31.856 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 8.271 13.540 2.795) 16.111 2.408 ( 9.753 19.825 -0.664) 22.104 2.460 ( 5.399 25.208 6.296) 26.537 2.946 ( -0.771 16.344 1.494) 16.431 3.105 ( -0.133 3.553 -0.992) 3.692 3.293 ( 4.888 16.608 18.143) 25.078 3.656 ( 0.218 -4.661 -11.715) 12.610 3.894 ( 2.969 6.572 -6.029) 9.400 4.028 ( 5.497 -3.432 -0.260) 6.485 4.230 ( -4.347 -1.346 -0.021) 4.551 4.379 ( -5.305 -3.410 1.151) 6.411 4.562 ( 1.171 1.264 0.752) 1.880 5.067 ( -1.523 2.531 -3.800) 4.813 5.140 ( 1.417 -3.183 -3.643) 5.041 5.363 ( -1.334 0.888 1.663) 2.309 6.123 ( -4.915 -2.514 2.257) 5.964 6.152 ( -4.854 -1.496 -0.779) 5.139 6.392 ( 4.316 -1.801 5.195) 6.989 6.741 ( 2.333 2.762 -5.472) 6.558 6.849 ( -2.763 -7.545 -10.789) 13.452 7.102 ( -2.732 -21.954 5.850) 22.884 11.714 ( 1.192 -1.464 1.357) 2.325 12.126 ( -4.837 5.082 5.655) 9.011 12.664 ( 2.014 -0.203 -0.189) 2.033 12.988 ( -0.225 5.149 -1.421) 5.346 15.631 ( -0.159 -4.699 -1.432) 4.915 15.684 ( 0.873 -5.027 -0.518) 5.129 16.327 ( -1.387 2.819 1.376) 3.430 16.510 ( 4.047 3.147 -2.506) 5.706 16.707 ( 2.347 3.035 3.596) 5.258 17.487 ( -2.114 -4.736 -3.234) 6.112 27.382 ( -0.326 -0.625 1.059) 1.272 27.559 ( 0.228 -0.554 -2.298) 2.375 29.108 ( 1.563 -0.052 -0.869) 1.789 29.405 ( -4.481 2.334 1.659) 5.318 29.729 ( 6.722 9.465 4.451) 12.434 30.372 ( 1.059 5.886 -16.673) 17.713 31.195 ( -1.706 1.889 -2.026) 3.254 31.911 ( -5.030 -21.087 18.126) 28.258 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 9.733 10.801 0.415) 14.545 2.801 ( 11.670 15.111 -1.017) 19.119 2.815 ( 9.710 19.338 2.622) 21.797 3.003 ( 0.398 3.533 -0.682) 3.620 3.200 ( 0.666 10.335 -0.051) 10.356 3.537 ( 1.448 5.613 -5.327) 7.873 3.675 ( 7.659 2.856 15.279) 17.328 3.968 ( -0.007 6.535 -7.646) 10.058 4.068 ( -7.662 -0.757 2.286) 8.032 4.166 ( 9.279 -3.178 1.056) 9.865 4.271 ( -3.664 -3.259 1.153) 5.038 4.584 ( -2.655 2.477 6.401) 7.359 4.988 ( -0.323 -7.410 -7.628) 10.640 5.163 ( 0.301 2.909 2.031) 3.561 5.328 ( -3.644 1.336 -5.339) 6.600 5.987 ( -7.373 -4.059 5.651) 10.138 6.095 ( -1.655 0.961 -5.298) 5.633 6.410 ( -2.158 -4.498 0.116) 4.990 6.590 ( -5.700 -14.019 -4.197) 15.704 6.789 ( 3.693 0.300 -2.030) 4.225 6.990 ( 1.127 -5.822 2.441) 6.413 11.736 ( 1.892 -0.540 0.650) 2.072 12.089 ( -7.245 3.870 4.608) 9.418 12.712 ( 2.853 1.493 -0.168) 3.225 13.010 ( -0.363 1.434 -1.106) 1.847 15.576 ( -0.030 -4.525 -0.828) 4.600 15.651 ( 0.231 -3.658 -0.407) 3.688 16.354 ( 0.302 3.469 1.216) 3.688 16.600 ( 4.741 1.939 -1.711) 5.401 16.789 ( 2.102 2.079 1.853) 3.489 17.388 ( -2.508 -3.866 -2.755) 5.369 27.376 ( -0.533 -0.355 1.159) 1.324 27.550 ( 0.645 -0.493 -2.204) 2.349 29.142 ( 2.288 0.597 -0.614) 2.443 29.363 ( -3.320 1.071 1.429) 3.769 29.959 ( 5.980 10.559 4.189) 12.837 30.380 ( 2.585 3.130 -11.186) 11.899 31.163 ( -3.520 3.354 -4.263) 6.466 31.680 ( -6.897 -19.493 13.987) 24.964 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 5.916 9.613 0.675) 11.308 2.919 ( 1.300 0.180 -4.451) 4.641 3.166 ( 10.665 7.869 -0.199) 13.255 3.197 ( 9.091 11.647 3.311) 15.141 3.275 ( -1.054 7.938 -0.019) 8.008 3.593 ( 6.592 1.097 -7.531) 10.068 3.826 ( -7.763 -3.039 0.846) 8.379 3.866 ( -5.264 -2.144 8.621) 10.326 4.005 ( -3.136 11.698 -2.802) 12.431 4.209 ( -0.274 -4.181 7.963) 8.999 4.381 ( 8.707 3.947 1.650) 9.701 4.600 ( -0.960 2.383 9.080) 9.437 4.871 ( 1.034 -8.709 -8.516) 12.224 5.126 ( -5.964 -6.846 -3.019) 9.568 5.292 ( 2.573 5.969 -4.345) 7.819 5.868 ( -5.110 -2.760 4.234) 7.188 6.025 ( -3.476 -2.917 -7.744) 8.975 6.256 ( -3.910 -5.761 4.573) 8.330 6.460 ( -2.518 -1.584 -3.277) 4.426 6.855 ( 3.842 -0.752 2.765) 4.793 6.985 ( 1.817 -2.002 -1.812) 3.255 11.772 ( 1.917 0.903 -0.146) 2.124 12.008 ( -7.325 1.593 3.447) 8.251 12.779 ( 1.319 4.412 0.074) 4.605 12.998 ( 0.990 -3.499 -0.766) 3.716 15.542 ( 0.741 -2.922 -0.503) 3.057 15.618 ( -0.174 -2.493 -0.407) 2.532 16.404 ( 0.615 3.262 0.644) 3.381 16.686 ( 3.369 2.363 -0.740) 4.181 16.818 ( -0.223 -0.552 0.460) 0.753 17.321 ( -0.025 -2.682 -1.709) 3.180 27.366 ( -0.702 -0.284 0.707) 1.036 27.553 ( 1.175 -0.243 -1.372) 1.822 29.186 ( 1.634 1.847 -0.350) 2.491 29.324 ( -1.961 -1.095 0.843) 2.399 30.148 ( 0.742 11.361 2.179) 11.592 30.436 ( 6.811 0.692 -3.629) 7.748 31.098 ( -5.382 3.379 -6.560) 9.133 31.452 ( -4.865 -16.235 9.709) 19.532 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -5.394 5.360 -0.151) 7.605 2.959 ( 6.287 -0.842 -0.764) 6.389 3.263 ( -1.158 2.328 0.872) 2.742 3.325 ( -0.805 -0.787 -1.655) 2.001 3.441 ( -0.544 11.995 1.651) 12.120 3.585 ( -13.651 -0.895 -0.561) 13.692 3.705 ( 4.342 -11.404 0.222) 12.205 3.736 ( -0.293 7.627 -5.371) 9.333 4.111 ( 1.172 6.997 2.302) 7.459 4.201 ( -1.342 -3.955 8.166) 9.172 4.447 ( -6.845 7.982 1.637) 10.641 4.623 ( -3.710 -8.047 3.182) 9.415 4.818 ( 4.491 -4.158 -4.493) 7.593 4.975 ( 3.262 -3.705 -6.099) 7.846 5.457 ( 10.319 4.191 1.834) 11.288 5.811 ( -1.266 -0.929 3.619) 3.945 5.908 ( -0.360 -2.704 -5.371) 6.024 6.238 ( -0.249 0.881 4.191) 4.290 6.387 ( -2.838 -0.749 -3.742) 4.756 6.921 ( 2.159 0.148 4.468) 4.964 6.984 ( 1.596 -1.485 -3.859) 4.433 11.813 ( 1.048 2.840 -1.256) 3.278 11.913 ( -5.427 -1.515 2.754) 6.271 12.819 ( -3.052 5.181 0.308) 6.021 12.990 ( 4.244 -5.329 -0.496) 6.831 15.540 ( 1.528 -1.148 -0.233) 1.925 15.602 ( 0.939 -1.222 -0.407) 1.594 16.423 ( -1.903 1.746 0.063) 2.583 16.735 ( -1.193 2.731 -0.267) 2.992 16.801 ( 0.986 -2.017 0.033) 2.245 17.319 ( 2.687 -1.504 -0.626) 3.143 27.355 ( -0.551 -0.183 0.153) 0.601 27.570 ( 1.348 -0.053 -0.415) 1.411 29.221 ( -0.997 3.412 -0.069) 3.555 29.287 ( 0.366 -3.389 0.208) 3.415 30.194 ( -6.183 6.517 -0.094) 8.984 30.601 ( 10.105 1.954 4.159) 11.101 30.986 ( -4.986 -0.567 -7.272) 8.835 31.318 ( -0.622 -7.650 3.984) 8.647 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -11.190 -0.000 0.000) 11.190 3.040 ( 1.913 0.000 -0.000) 1.913 3.111 ( -21.825 -0.000 0.000) 21.825 3.224 ( -11.759 -0.000 0.000) 11.759 3.295 ( -7.342 -0.000 0.000) 7.342 3.401 ( -13.322 -0.000 0.000) 13.322 3.738 ( 7.466 0.000 -0.000) 7.466 3.883 ( 7.750 0.000 -0.000) 7.750 4.155 ( -0.952 -0.000 0.000) 0.952 4.178 ( -0.930 -0.000 0.000) 0.930 4.393 ( -1.542 -0.000 0.000) 1.542 4.465 ( -6.254 -0.000 0.000) 6.254 4.892 ( 7.297 0.000 -0.000) 7.297 5.026 ( 3.019 0.000 -0.000) 3.019 5.589 ( -0.786 -0.000 0.000) 0.786 5.820 ( 1.428 0.000 -0.000) 1.428 6.046 ( 18.898 0.000 -0.000) 18.898 6.270 ( 3.329 0.000 -0.000) 3.329 6.325 ( -2.442 -0.000 0.000) 2.442 6.966 ( -0.010 -0.000 0.000) 0.010 6.978 ( 1.522 0.000 -0.000) 1.522 11.819 ( -4.191 -0.000 0.000) 4.191 11.854 ( 1.110 0.000 -0.000) 1.110 12.781 ( -3.828 -0.000 0.000) 3.828 13.030 ( 2.898 0.000 -0.000) 2.898 15.568 ( 2.542 0.000 -0.000) 2.542 15.626 ( 2.581 0.000 -0.000) 2.581 16.375 ( -4.394 -0.000 0.000) 4.394 16.715 ( -1.666 -0.000 0.000) 1.666 16.798 ( -1.555 -0.000 0.000) 1.555 17.372 ( 4.520 0.000 -0.000) 4.520 27.349 ( -0.027 -0.000 0.000) 0.027 27.590 ( 0.991 0.000 -0.000) 0.991 29.203 ( -2.469 -0.000 0.000) 2.469 29.290 ( 1.382 0.000 -0.000) 1.382 30.078 ( -10.695 -0.000 0.000) 10.695 30.812 ( 9.894 0.000 -0.000) 9.894 30.890 ( -1.792 -0.000 0.000) 1.792 31.310 ( 2.675 0.000 -0.000) 2.675 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -0.000 10.571 1.043) 10.623 2.507 ( -0.000 17.785 0.185) 17.786 2.684 ( -0.000 23.402 4.476) 23.827 3.067 ( -0.000 -0.737 -7.216) 7.253 3.143 ( -0.000 15.746 2.647) 15.967 3.527 ( 0.000 15.665 24.719) 29.265 3.568 ( -0.000 -3.094 -12.531) 12.907 3.884 ( -0.000 -0.661 -2.938) 3.012 3.931 ( -0.000 -0.177 -2.446) 2.452 4.266 ( -0.000 0.281 -0.855) 0.900 4.425 ( 0.000 -4.045 3.939) 5.646 4.563 ( -0.000 4.837 0.256) 4.844 5.018 ( -0.000 -6.926 -6.621) 9.582 5.146 ( -0.000 5.231 -0.539) 5.259 5.391 ( 0.000 0.668 1.124) 1.308 6.134 ( -0.000 0.527 -3.599) 3.637 6.228 ( 0.000 -3.969 3.615) 5.369 6.323 ( 0.000 -2.207 4.955) 5.425 6.653 ( -0.000 -13.317 -6.657) 14.888 6.784 ( -0.000 -0.605 -7.817) 7.840 6.971 ( 0.000 -11.927 4.590) 12.779 11.695 ( 0.000 -1.429 1.374) 1.982 12.241 ( 0.000 4.289 4.979) 6.572 12.637 ( 0.000 -0.622 -0.148) 0.639 13.039 ( -0.000 4.887 -1.387) 5.080 15.593 ( -0.000 -3.025 -1.492) 3.373 15.618 ( 0.000 -5.145 -0.318) 5.155 16.369 ( 0.000 1.555 1.330) 2.046 16.484 ( -0.000 2.291 -2.583) 3.453 16.738 ( 0.000 3.699 2.954) 4.734 17.451 ( -0.000 -3.748 -2.723) 4.633 27.386 ( 0.000 -0.320 1.361) 1.398 27.539 ( -0.000 -0.707 -2.531) 2.628 29.088 ( -0.000 -0.187 -0.762) 0.785 29.479 ( 0.000 1.393 0.891) 1.654 29.770 ( 0.000 8.517 5.974) 10.403 30.349 ( -0.000 5.305 -14.285) 15.239 31.229 ( -0.000 4.098 -2.989) 5.072 31.826 ( 0.000 -20.676 15.228) 25.679 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 7.749 7.610 0.029) 10.860 2.726 ( 7.871 10.505 -0.443) 13.134 2.932 ( 2.408 18.007 1.069) 18.199 3.034 ( -0.318 3.121 -1.468) 3.464 3.295 ( 1.170 10.021 1.221) 10.163 3.470 ( -0.644 -3.900 -9.533) 10.320 3.778 ( 1.189 9.058 18.767) 20.872 3.913 ( 8.106 -1.348 -0.789) 8.255 3.986 ( 4.829 2.575 -2.781) 6.138 4.206 ( -6.337 -1.220 -0.038) 6.453 4.348 ( -5.373 -0.867 1.989) 5.794 4.661 ( 2.757 4.470 4.704) 7.051 4.906 ( -2.633 -5.331 -5.770) 8.285 5.194 ( 0.520 3.473 0.257) 3.521 5.364 ( -3.000 -1.194 -3.838) 5.015 6.103 ( -5.839 -3.164 5.033) 8.333 6.115 ( -3.907 0.674 -4.931) 6.327 6.367 ( 1.358 -4.845 -1.492) 5.248 6.465 ( 1.175 -14.493 -0.737) 14.559 6.769 ( 0.053 2.484 -2.811) 3.751 6.920 ( 1.475 -4.952 1.316) 5.332 11.701 ( 1.434 -0.906 0.877) 1.910 12.253 ( -5.038 3.129 3.595) 6.934 12.659 ( 3.066 -0.139 -0.086) 3.070 13.056 ( -2.000 2.821 -1.076) 3.622 15.542 ( -0.929 -3.128 -0.695) 3.336 15.600 ( 1.690 -2.921 -0.467) 3.407 16.384 ( -0.109 1.770 0.906) 1.992 16.526 ( 3.779 0.910 -1.649) 4.222 16.795 ( 1.276 2.742 1.693) 3.466 17.388 ( -2.250 -2.591 -2.007) 3.975 27.388 ( -0.390 -0.081 1.369) 1.426 27.524 ( 0.438 -0.618 -2.240) 2.365 29.101 ( 1.959 -0.045 -0.508) 2.024 29.452 ( -4.185 1.220 0.930) 4.457 29.941 ( 7.220 6.511 5.402) 11.122 30.339 ( 0.483 3.532 -10.565) 11.150 31.245 ( -2.283 6.770 -4.729) 8.568 31.653 ( -4.732 -18.956 12.307) 23.091 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 10.942 4.551 0.223) 11.853 2.876 ( 3.152 -0.189 -3.172) 4.476 3.078 ( 5.776 6.566 0.287) 8.749 3.204 ( 6.582 10.983 3.418) 13.253 3.362 ( -2.389 3.940 -2.002) 5.024 3.432 ( 5.853 -3.385 -3.920) 7.815 3.862 ( -1.652 -1.155 3.968) 4.450 4.048 ( -1.169 3.877 0.090) 4.050 4.073 ( -4.524 -0.267 1.122) 4.668 4.160 ( 14.852 0.556 1.311) 14.920 4.284 ( -4.246 3.115 5.689) 7.752 4.716 ( 2.018 -6.336 -4.172) 7.850 4.820 ( -6.060 8.049 6.166) 11.813 5.165 ( -8.592 -7.185 -2.858) 11.559 5.271 ( 1.607 1.843 -5.458) 5.980 5.965 ( -7.052 -2.077 3.016) 7.946 6.041 ( -4.375 -1.408 -4.485) 6.422 6.260 ( -1.199 -5.016 1.638) 5.412 6.448 ( 1.019 -1.831 -1.225) 2.427 6.808 ( 2.534 1.523 1.074) 3.146 6.921 ( 2.457 -2.388 -0.922) 3.548 11.733 ( 2.517 -0.226 0.305) 2.546 12.174 ( -8.023 1.512 1.825) 8.366 12.734 ( 5.406 0.704 0.035) 5.451 13.016 ( -3.841 0.253 -0.579) 3.893 15.508 ( 0.123 -1.699 -0.307) 1.731 15.596 ( 0.511 -1.434 -0.221) 1.538 16.412 ( 1.054 1.417 0.434) 1.818 16.608 ( 5.782 0.321 -0.624) 5.825 16.833 ( -0.035 1.063 0.507) 1.178 17.318 ( -2.494 -1.364 -1.027) 3.022 27.382 ( -0.821 -0.061 0.704) 1.084 27.525 ( 1.093 -0.268 -1.133) 1.597 29.145 ( 3.228 0.197 -0.226) 3.242 29.388 ( -4.553 0.438 0.547) 4.606 30.166 ( 9.351 5.212 4.812) 11.737 30.335 ( 1.279 0.651 -6.794) 6.944 31.237 ( -5.694 10.049 -7.009) 13.511 31.428 ( -6.130 -16.844 10.036) 20.543 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 10.677 0.000 -0.000) 10.677 2.860 ( -2.673 -0.000 0.000) 2.673 3.234 ( 7.270 0.000 -0.000) 7.270 3.321 ( -1.505 -0.000 0.000) 1.505 3.444 ( 9.739 0.000 -0.000) 9.739 3.500 ( 6.063 0.000 -0.000) 6.063 3.792 ( -4.559 -0.000 0.000) 4.559 3.864 ( -14.895 -0.000 0.000) 14.895 4.124 ( 2.334 0.000 -0.000) 2.334 4.262 ( -3.212 -0.000 0.000) 3.212 4.443 ( 13.639 0.000 -0.000) 13.639 4.680 ( 1.318 0.000 -0.000) 1.318 4.835 ( -14.825 -0.000 0.000) 14.825 4.877 ( -0.625 -0.000 0.000) 0.625 5.338 ( 5.512 0.000 -0.000) 5.512 5.865 ( -4.389 -0.000 0.000) 4.389 5.935 ( -4.843 -0.000 0.000) 4.843 6.248 ( 0.510 0.000 -0.000) 0.510 6.421 ( -2.355 -0.000 0.000) 2.355 6.879 ( 4.041 0.000 -0.000) 4.041 6.941 ( 1.528 0.000 -0.000) 1.528 11.780 ( 2.870 0.000 -0.000) 2.870 12.042 ( -8.459 -0.000 0.000) 8.459 12.847 ( 6.720 0.000 -0.000) 6.720 12.935 ( -4.958 -0.000 0.000) 4.958 15.510 ( 1.099 0.000 -0.000) 1.099 15.590 ( -0.112 -0.000 0.000) 0.112 16.439 ( 0.751 0.000 -0.000) 0.751 16.712 ( 5.748 0.000 -0.000) 5.748 16.810 ( -3.087 -0.000 0.000) 3.087 17.285 ( 0.052 0.000 -0.000) 0.052 27.367 ( -0.911 -0.000 0.000) 0.911 27.544 ( 1.482 0.000 -0.000) 1.482 29.205 ( 3.416 0.000 -0.000) 3.416 29.316 ( -4.171 -0.000 0.000) 4.171 30.298 ( -2.324 -0.000 0.000) 2.324 30.413 ( 12.589 0.000 -0.000) 12.589 31.122 ( -11.084 -0.000 0.000) 11.084 31.301 ( -1.244 -0.000 0.000) 1.244 ======================= Grid point 61 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -0.000 4.091 -0.030) 4.091 2.735 ( -0.000 4.650 -0.658) 4.697 3.055 ( -0.000 3.356 -1.589) 3.713 3.086 ( -0.000 14.222 2.185) 14.389 3.329 ( 0.000 -2.769 0.283) 2.783 3.432 ( -0.000 1.810 -5.285) 5.587 3.768 ( 0.000 -4.647 -0.931) 4.739 3.961 ( 0.000 8.663 14.567) 16.949 3.965 ( -0.000 2.032 -1.347) 2.438 4.241 ( -0.000 -1.149 -4.083) 4.242 4.394 ( 0.000 -1.631 1.658) 2.326 4.659 ( 0.000 0.288 0.631) 0.693 4.910 ( -0.000 2.295 0.384) 2.327 5.215 ( -0.000 2.027 -0.390) 2.064 5.359 ( -0.000 -2.696 -3.572) 4.475 6.126 ( -0.000 1.042 -1.881) 2.150 6.191 ( 0.000 -2.233 2.033) 3.020 6.285 ( -0.000 -4.893 -3.134) 5.811 6.322 ( 0.000 -7.193 1.628) 7.375 6.787 ( -0.000 2.950 -0.582) 3.007 6.866 ( 0.000 -3.979 -0.150) 3.981 11.684 ( 0.000 -0.545 0.516) 0.751 12.334 ( 0.000 1.681 1.974) 2.592 12.627 ( -0.000 -0.245 -0.063) 0.253 13.095 ( -0.000 1.729 -0.623) 1.838 15.541 ( -0.000 -1.132 -0.559) 1.263 15.543 ( 0.000 -2.042 -0.106) 2.045 16.398 ( 0.000 0.566 0.487) 0.746 16.495 ( -0.000 0.673 -0.984) 1.192 16.811 ( 0.000 1.539 0.972) 1.820 17.384 ( -0.000 -1.245 -1.047) 1.627 27.397 ( 0.000 0.077 1.060) 1.062 27.506 ( -0.000 -0.457 -1.546) 1.612 29.081 ( -0.000 -0.072 -0.284) 0.293 29.504 ( 0.000 0.524 0.334) 0.622 29.941 ( 0.000 3.370 3.712) 5.013 30.325 ( -0.000 2.075 -6.133) 6.474 31.316 ( -0.000 8.013 -4.877) 9.381 31.578 ( 0.000 -14.505 8.778) 16.954 ======================= Grid point 62 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 7.914 0.000 -0.000) 7.914 2.796 ( 4.457 0.000 -0.000) 4.457 3.070 ( 0.286 0.000 -0.000) 0.286 3.202 ( 2.675 0.000 -0.000) 2.675 3.312 ( 2.965 0.000 -0.000) 2.965 3.420 ( -1.780 -0.000 0.000) 1.780 3.815 ( 6.938 0.000 -0.000) 6.938 4.004 ( 3.402 0.000 -0.000) 3.402 4.044 ( 0.681 0.000 -0.000) 0.681 4.183 ( -4.133 -0.000 0.000) 4.133 4.370 ( -2.095 -0.000 0.000) 2.095 4.651 ( -0.298 -0.000 0.000) 0.298 4.936 ( -0.324 -0.000 0.000) 0.324 5.235 ( 1.372 0.000 -0.000) 1.372 5.268 ( -7.270 -0.000 0.000) 7.270 6.089 ( -7.720 -0.000 0.000) 7.720 6.096 ( -3.452 -0.000 0.000) 3.452 6.240 ( -0.050 -0.000 0.000) 0.050 6.379 ( 5.338 0.000 -0.000) 5.338 6.807 ( -0.231 -0.000 0.000) 0.231 6.858 ( 2.432 0.000 -0.000) 2.432 11.696 ( 1.541 0.000 -0.000) 1.541 12.302 ( -5.143 -0.000 0.000) 5.143 12.657 ( 3.507 0.000 -0.000) 3.507 13.078 ( -2.711 -0.000 0.000) 2.711 15.506 ( -1.048 -0.000 0.000) 1.048 15.568 ( 1.839 0.000 -0.000) 1.839 16.406 ( 0.511 0.000 -0.000) 0.511 16.526 ( 3.487 0.000 -0.000) 3.487 16.831 ( 0.945 0.000 -0.000) 0.945 17.354 ( -2.332 -0.000 0.000) 2.332 27.396 ( -0.550 -0.000 0.000) 0.550 27.505 ( 0.646 0.000 -0.000) 0.646 29.098 ( 2.098 0.000 -0.000) 2.098 29.468 ( -4.032 -0.000 0.000) 4.032 30.039 ( 7.858 0.000 -0.000) 7.858 30.321 ( -0.002 -0.000 0.000) 0.002 31.346 ( -0.914 -0.000 0.000) 0.914 31.462 ( -6.412 -0.000 0.000) 6.412 ======================= Grid point 137 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 -0.000 31.467) 31.467 0.437 ( 0.000 -0.000 31.467) 31.467 0.910 ( 0.000 -0.000 65.147) 65.147 1.605 ( -0.000 0.000 -6.289) 6.289 1.605 ( -0.000 0.000 -6.289) 6.289 3.242 ( -0.000 0.000 -0.692) 0.692 3.706 ( -0.000 0.000 -12.218) 12.218 3.706 ( -0.000 0.000 -12.218) 12.218 4.147 ( 0.000 -0.000 2.655) 2.655 4.147 ( 0.000 -0.000 2.655) 2.655 4.315 ( 0.000 -0.000 3.775) 3.775 4.448 ( 0.000 -0.000 0.520) 0.520 4.901 ( 0.000 -0.000 2.566) 2.566 4.901 ( 0.000 -0.000 2.566) 2.566 5.633 ( -0.000 0.000 -0.165) 0.165 6.262 ( -0.000 0.000 -4.787) 4.787 6.262 ( -0.000 0.000 -4.787) 4.787 6.397 ( 0.000 -0.000 4.257) 4.257 6.397 ( 0.000 -0.000 4.257) 4.257 7.191 ( -0.000 0.000 -3.572) 3.572 8.743 ( -0.000 0.000 -5.167) 5.167 11.759 ( 0.000 -0.000 1.257) 1.257 11.759 ( 0.000 -0.000 1.257) 1.257 12.677 ( -0.000 0.000 -0.186) 0.186 12.677 ( -0.000 0.000 -0.186) 0.186 15.889 ( -0.000 0.000 -0.826) 0.826 15.889 ( -0.000 0.000 -0.826) 0.826 16.176 ( 0.000 -0.000 0.661) 0.661 16.176 ( 0.000 -0.000 0.661) 0.661 16.969 ( 0.000 -0.000 3.626) 3.626 17.820 ( -0.000 0.000 -1.268) 1.268 27.503 ( -0.000 0.000 -0.637) 0.637 27.593 ( -0.000 0.000 -0.211) 0.211 29.120 ( -0.000 0.000 -1.128) 1.128 29.120 ( -0.000 0.000 -1.128) 1.128 29.356 ( 0.000 -0.000 1.226) 1.226 29.356 ( 0.000 -0.000 1.226) 1.226 31.210 ( 0.000 -0.000 0.985) 0.985 33.612 ( 0.000 -0.000 0.088) 0.088 ======================= Grid point 138 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 23.402 13.511 19.203) 33.151 0.892 ( 21.151 12.211 21.255) 32.377 1.408 ( 16.631 9.602 51.544) 55.005 1.648 ( 7.099 4.098 -8.039) 11.481 2.099 ( 18.902 10.913 -15.580) 26.817 3.239 ( -0.088 -0.051 -2.205) 2.207 3.657 ( 1.956 1.129 -12.878) 13.074 4.039 ( 4.800 2.771 -18.129) 18.957 4.186 ( 1.071 0.618 2.611) 2.889 4.301 ( 3.929 2.269 -5.323) 6.994 4.342 ( 10.833 6.254 -22.296) 25.565 4.473 ( 1.748 1.009 1.289) 2.395 4.900 ( -0.897 -0.518 2.163) 2.399 5.035 ( 10.163 5.867 -2.017) 11.907 5.575 ( -4.432 -2.559 -0.281) 5.125 6.211 ( -1.784 -1.030 -4.111) 4.598 6.262 ( -4.099 -2.367 3.939) 6.158 6.396 ( 4.775 2.757 -1.033) 5.609 6.429 ( 0.038 0.022 3.967) 3.967 7.154 ( -1.611 -0.930 -4.817) 5.163 8.401 ( -19.267 -11.124 7.705) 23.544 11.753 ( -0.992 -0.573 1.481) 1.872 11.788 ( 0.912 0.526 2.689) 2.888 12.671 ( -0.378 -0.218 -0.326) 0.545 12.721 ( 3.703 2.138 -0.642) 4.323 15.878 ( -1.230 -0.710 -0.296) 1.451 15.901 ( 0.776 0.448 -3.662) 3.770 16.175 ( 0.371 0.214 0.037) 0.430 16.242 ( 4.347 2.510 0.756) 5.076 16.766 ( -8.778 -5.068 15.206) 18.275 17.776 ( -2.685 -1.550 -2.380) 3.909 27.444 ( -2.291 -1.323 1.309) 2.952 27.591 ( 0.020 0.011 -0.494) 0.495 29.109 ( -0.222 -0.128 -1.400) 1.424 29.167 ( 3.425 1.978 0.083) 3.956 29.375 ( 0.929 0.537 1.517) 1.858 29.969 ( 30.073 17.363 -37.201) 50.890 31.210 ( -0.499 -0.288 0.832) 1.012 32.913 ( -36.480 -21.062 40.545) 58.466 ======================= Grid point 139 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 21.657 12.504 14.920) 29.120 1.520 ( 24.656 14.235 15.452) 32.394 1.843 ( 13.296 7.676 -7.724) 17.186 2.043 ( 21.697 12.527 29.991) 39.079 2.450 ( 17.177 9.917 -0.242) 19.835 3.209 ( -0.902 -0.521 -5.240) 5.343 3.677 ( 4.086 2.359 -10.173) 11.214 4.015 ( 0.974 0.562 -11.666) 11.720 4.217 ( 0.839 0.484 1.099) 1.465 4.253 ( -4.567 -2.636 1.147) 5.396 4.409 ( 4.383 2.531 -21.165) 21.762 4.529 ( 1.805 1.042 4.263) 4.746 4.883 ( -0.784 -0.453 -0.301) 0.954 5.215 ( 6.187 3.572 -4.521) 8.454 5.452 ( -6.134 -3.541 0.089) 7.083 6.147 ( -2.239 -1.293 -3.125) 4.056 6.151 ( -7.008 -4.046 7.038) 10.725 6.436 ( -0.933 -0.539 3.435) 3.600 6.556 ( 8.888 5.132 -4.113) 11.057 7.076 ( -2.727 -1.575 -6.717) 7.419 7.986 ( -20.867 -12.048 5.960) 24.821 11.729 ( -1.744 -1.007 1.523) 2.525 11.826 ( 1.262 0.729 3.168) 3.487 12.658 ( -0.587 -0.339 -0.386) 0.780 12.832 ( 6.213 3.587 -0.577) 7.197 15.838 ( -2.066 -1.193 -0.054) 2.386 15.873 ( -2.158 -1.246 -1.183) 2.759 16.188 ( 0.694 0.401 -0.215) 0.830 16.359 ( 5.674 3.276 -0.426) 6.565 16.735 ( -0.297 -0.171 9.887) 9.893 17.683 ( -4.151 -2.397 -3.546) 5.962 27.409 ( -1.393 -0.804 0.565) 1.705 27.589 ( 0.081 0.047 -1.003) 1.007 29.099 ( -0.073 -0.042 -1.335) 1.337 29.275 ( 5.804 3.351 0.556) 6.725 29.408 ( 1.266 0.731 1.458) 2.064 30.278 ( 13.276 7.665 -27.263) 31.277 31.192 ( -1.189 -0.686 -0.291) 1.403 32.447 ( -22.190 -12.812 31.396) 40.525 ======================= Grid point 140 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 14.432 8.333 5.865) 17.667 2.120 ( 22.242 12.841 14.071) 29.285 2.198 ( 20.180 11.651 -1.223) 23.334 2.601 ( 19.209 11.090 6.192) 23.029 2.884 ( 17.652 10.192 14.778) 25.177 3.165 ( -0.460 -0.266 -5.622) 5.647 3.712 ( 1.888 1.090 -8.325) 8.606 4.005 ( -0.455 -0.263 -2.966) 3.012 4.140 ( -1.136 -0.656 -8.057) 8.163 4.232 ( 0.612 0.353 -1.628) 1.775 4.396 ( 1.210 0.699 -10.624) 10.716 4.578 ( -0.553 -0.319 8.933) 8.955 4.877 ( 1.426 0.823 -3.760) 4.105 5.274 ( 0.797 0.460 -2.895) 3.038 5.313 ( -6.050 -3.493 0.729) 7.024 6.025 ( -6.507 -3.757 5.198) 9.137 6.087 ( -1.868 -1.079 -2.111) 3.018 6.420 ( -1.656 -0.956 2.634) 3.255 6.710 ( 5.286 3.052 -6.606) 8.995 6.986 ( -1.443 -0.833 -7.669) 7.848 7.524 ( -21.872 -12.628 7.163) 26.252 11.692 ( -2.058 -1.188 1.384) 2.749 11.871 ( 1.426 0.823 3.098) 3.509 12.642 ( -0.627 -0.362 -0.337) 0.799 12.982 ( 6.954 4.015 -0.426) 8.041 15.790 ( -2.072 -1.196 -0.355) 2.419 15.800 ( -3.963 -2.288 0.613) 4.617 16.202 ( 0.619 0.357 0.138) 0.728 16.482 ( 5.487 3.168 -1.665) 6.551 16.804 ( 2.270 1.311 6.304) 6.827 17.570 ( -3.945 -2.278 -4.077) 6.114 27.385 ( -0.915 -0.528 0.595) 1.213 27.586 ( 0.180 0.104 -1.557) 1.571 29.094 ( 0.126 0.073 -1.082) 1.091 29.420 ( 6.433 3.714 1.062) 7.504 29.442 ( 1.171 0.676 1.199) 1.807 30.394 ( 6.811 3.932 -16.207) 18.015 31.157 ( -1.266 -0.731 -2.360) 2.776 32.137 ( -16.665 -9.622 21.600) 28.929 ======================= Grid point 141 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 8.964 5.175 0.779) 10.380 2.637 ( 17.988 10.385 10.848) 23.433 2.666 ( 19.529 11.275 1.527) 22.601 2.946 ( 10.022 5.786 0.582) 11.587 3.150 ( 1.175 0.678 -2.654) 2.980 3.323 ( 15.239 8.798 10.655) 20.571 3.655 ( -4.136 -2.388 -6.595) 8.143 3.830 ( -11.906 -6.874 -0.191) 13.749 4.230 ( 0.659 0.381 -5.300) 5.354 4.300 ( 13.675 7.895 -6.926) 17.242 4.377 ( 1.227 0.708 -1.723) 2.230 4.580 ( -2.631 -1.519 8.289) 8.828 4.920 ( 3.318 1.916 -1.749) 4.212 5.196 ( -3.885 -2.243 -1.346) 4.684 5.238 ( -2.785 -1.608 -0.392) 3.240 5.913 ( -4.817 -2.781 2.713) 6.189 6.049 ( -0.785 -0.453 -1.429) 1.692 6.388 ( -1.968 -1.136 1.490) 2.717 6.627 ( -8.828 -5.097 -12.365) 16.025 6.990 ( 2.448 1.413 -2.274) 3.627 7.147 ( -12.161 -7.021 7.990) 16.157 11.653 ( -1.752 -1.011 1.133) 2.318 11.914 ( 1.012 0.584 3.186) 3.393 12.628 ( -0.456 -0.264 -0.198) 0.563 13.125 ( 5.493 3.172 -0.342) 6.353 15.713 ( -3.688 -2.129 0.667) 4.311 15.745 ( -1.554 -0.897 -1.196) 2.156 16.217 ( 0.469 0.271 1.045) 1.177 16.588 ( 4.740 2.737 -2.514) 6.024 16.860 ( 0.121 0.070 3.701) 3.704 17.487 ( -1.499 -0.865 -3.491) 3.896 27.372 ( -0.583 -0.336 0.695) 0.968 27.584 ( 0.395 0.228 -1.715) 1.775 29.094 ( 0.252 0.145 -0.755) 0.809 29.469 ( 0.733 0.423 0.857) 1.204 29.560 ( 5.040 2.910 1.529) 6.018 30.463 ( 4.321 2.495 -6.609) 8.281 31.119 ( -0.430 -0.248 -5.154) 5.178 31.885 ( -12.921 -7.460 13.805) 20.327 ======================= Grid point 142 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 3.134 1.810 0.041) 3.620 2.994 ( 8.997 5.194 4.626) 11.372 3.016 ( 9.613 5.550 -2.104) 11.298 3.083 ( 1.946 1.124 3.159) 3.877 3.210 ( 3.027 1.748 0.786) 3.582 3.495 ( -5.116 -2.954 -1.450) 6.083 3.530 ( -12.462 -7.195 -4.489) 15.074 3.661 ( 10.529 6.079 8.158) 14.642 4.213 ( 0.729 0.421 -8.817) 8.857 4.338 ( -0.717 -0.414 1.113) 1.387 4.542 ( -3.153 -1.821 3.767) 5.239 4.601 ( 6.610 3.816 -2.253) 7.958 4.995 ( 2.611 1.507 3.585) 4.684 5.117 ( -2.262 -1.306 -6.796) 7.280 5.223 ( 2.777 1.603 5.509) 6.374 5.846 ( -1.489 -0.860 2.404) 2.956 6.038 ( 0.228 0.131 -1.003) 1.037 6.341 ( -8.211 -4.740 -7.149) 11.874 6.350 ( -1.533 -0.885 -0.049) 1.771 6.968 ( -2.843 -1.641 3.915) 5.109 7.083 ( 1.157 0.668 -1.839) 2.273 11.627 ( -0.872 -0.504 0.858) 1.323 11.943 ( 0.055 0.032 3.541) 3.541 12.621 ( -0.109 -0.063 -0.022) 0.128 13.212 ( 2.158 1.246 -0.360) 2.518 15.651 ( -1.765 -1.019 -0.250) 2.054 15.711 ( -0.629 -0.363 -2.218) 2.334 16.233 ( 0.260 0.150 2.123) 2.144 16.669 ( 3.442 1.987 -3.390) 5.224 16.840 ( -2.641 -1.525 1.865) 3.575 17.469 ( 0.671 0.387 -2.180) 2.313 27.363 ( -0.424 -0.245 0.379) 0.619 27.589 ( 0.624 0.361 -1.204) 1.403 29.098 ( 0.279 0.161 -0.418) 0.528 29.481 ( 0.070 0.041 0.502) 0.509 29.648 ( 1.841 1.063 1.938) 2.876 30.540 ( 3.621 2.091 2.384) 4.813 31.093 ( 0.886 0.512 -8.231) 8.294 31.688 ( -8.496 -4.905 6.813) 11.944 ======================= Grid point 143 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -3.869 -2.234 -0.443) 4.490 2.930 ( -16.889 -9.751 2.667) 19.683 3.021 ( -14.500 -8.371 -2.723) 16.963 3.084 ( -2.316 -1.337 2.589) 3.722 3.145 ( 3.188 1.841 -1.789) 4.093 3.331 ( -4.341 -2.506 -7.067) 8.664 3.618 ( 9.640 5.566 6.167) 12.726 3.850 ( 2.950 1.703 8.173) 8.854 4.186 ( 1.063 0.614 -10.964) 11.033 4.371 ( 3.343 1.930 2.579) 4.642 4.478 ( -3.196 -1.845 0.760) 3.768 4.544 ( -7.252 -4.187 -4.613) 9.560 5.053 ( 0.161 0.093 6.169) 6.172 5.066 ( 1.144 0.661 -4.933) 5.107 5.327 ( 1.501 0.867 6.316) 6.549 5.882 ( 1.550 0.895 5.032) 5.341 6.048 ( 0.988 0.570 -0.070) 1.143 6.324 ( -0.364 -0.210 -1.880) 1.927 6.355 ( 13.574 7.837 -5.032) 16.462 6.949 ( -0.509 -0.294 2.318) 2.392 7.078 ( -0.741 -0.428 -2.493) 2.636 11.624 ( 0.255 0.147 0.626) 0.691 11.948 ( -1.171 -0.676 4.097) 4.314 12.624 ( 0.296 0.171 0.134) 0.368 13.213 ( -1.939 -1.119 -0.498) 2.293 15.638 ( 0.979 0.565 -1.186) 1.639 15.698 ( 0.570 0.329 -2.929) 3.003 16.247 ( -0.090 -0.052 2.894) 2.896 16.697 ( -0.170 -0.098 -2.865) 2.872 16.781 ( -2.467 -1.424 -0.645) 2.921 17.487 ( 1.594 0.920 -1.039) 2.113 27.358 ( -0.094 -0.054 -0.008) 0.109 27.599 ( 0.534 0.308 -0.542) 0.821 29.103 ( 0.255 0.147 -0.116) 0.316 29.476 ( -0.660 -0.381 0.181) 0.783 29.654 ( -2.239 -1.293 2.314) 3.470 30.652 ( 3.617 2.088 10.704) 11.490 31.081 ( 1.791 1.034 -10.742) 10.940 31.574 ( -2.924 -1.688 0.034) 3.376 ======================= Grid point 144 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -11.746 -6.782 -1.487) 13.645 2.454 ( -24.388 -14.081 1.275) 28.190 2.624 ( -17.899 -10.334 -2.090) 20.773 2.919 ( -15.290 -8.828 -1.373) 17.709 3.104 ( -12.536 -7.237 -0.899) 14.503 3.217 ( 2.721 1.571 1.277) 3.392 3.817 ( 4.534 2.618 5.093) 7.304 3.916 ( 2.151 1.242 0.329) 2.505 4.170 ( 1.879 1.085 -9.986) 10.219 4.344 ( -5.641 -3.257 -0.112) 6.514 4.419 ( -1.464 -0.845 -0.974) 1.951 4.523 ( 6.124 3.536 3.298) 7.802 5.049 ( -2.905 -1.677 5.425) 6.378 5.131 ( 5.548 3.203 -1.570) 6.596 5.367 ( 0.770 0.445 3.451) 3.564 5.931 ( 1.267 0.732 4.994) 5.204 6.087 ( 2.184 1.261 1.656) 3.017 6.315 ( 0.653 0.377 -3.552) 3.631 6.789 ( 20.729 11.968 -2.376) 24.053 6.935 ( 0.103 0.059 -1.125) 1.132 7.058 ( 0.746 0.431 -0.766) 1.153 11.643 ( 1.179 0.681 0.487) 1.446 11.929 ( -2.276 -1.314 4.750) 5.428 12.635 ( 0.599 0.346 0.228) 0.728 13.126 ( -5.248 -3.030 -0.717) 6.102 15.683 ( 3.536 2.042 -1.546) 4.366 15.711 ( 1.796 1.037 -3.052) 3.690 16.254 ( -0.598 -0.345 3.088) 3.164 16.639 ( -4.087 -2.359 1.046) 4.834 16.712 ( -2.818 -1.627 -6.101) 6.915 17.537 ( 3.268 1.887 -0.262) 3.782 27.361 ( 0.482 0.278 -0.059) 0.560 27.605 ( 0.155 0.089 -0.272) 0.326 29.108 ( 0.243 0.140 0.105) 0.300 29.454 ( -1.278 -0.738 -0.054) 1.477 29.574 ( -5.593 -3.229 2.468) 6.914 30.798 ( 3.449 1.991 16.847) 17.312 31.073 ( 2.185 1.261 -12.079) 12.340 31.556 ( 2.231 1.288 -5.222) 5.823 ======================= Grid point 145 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -20.681 -11.940 -2.062) 23.969 1.873 ( -27.272 -15.746 1.640) 31.534 2.243 ( -14.970 -8.643 -0.485) 17.292 2.380 ( -29.395 -16.971 0.098) 33.942 2.821 ( -13.408 -7.741 1.953) 15.605 3.269 ( 1.270 0.733 0.988) 1.768 3.869 ( -0.672 -0.388 2.832) 2.937 3.971 ( 3.442 1.987 -3.464) 5.272 4.157 ( -0.057 -0.033 -6.965) 6.966 4.271 ( -1.492 -0.862 1.260) 2.135 4.425 ( 2.167 1.251 -1.031) 2.706 4.678 ( 5.849 3.377 2.269) 7.125 4.983 ( -4.266 -2.463 3.274) 5.915 5.275 ( 6.934 4.003 -0.144) 8.007 5.397 ( 1.167 0.674 -0.471) 1.428 5.996 ( 2.068 1.194 6.742) 7.152 6.160 ( 3.158 1.823 3.286) 4.909 6.316 ( 0.977 0.564 -4.645) 4.780 6.782 ( -7.012 -4.048 -0.818) 8.137 7.092 ( 2.818 1.627 -1.312) 3.508 7.356 ( 23.118 13.347 -2.030) 26.771 11.678 ( 1.589 0.917 0.487) 1.898 11.892 ( -2.977 -1.719 5.325) 6.338 12.651 ( 0.683 0.395 0.229) 0.822 12.985 ( -6.621 -3.823 -0.897) 7.698 15.750 ( 2.720 1.571 -2.648) 4.108 15.775 ( 4.955 2.861 -1.372) 5.884 16.247 ( -1.177 -0.680 2.736) 3.056 16.521 ( -6.985 -4.033 0.762) 8.101 16.610 ( -2.920 -1.686 -6.027) 6.906 17.627 ( 4.537 2.619 -0.277) 5.246 27.378 ( 0.950 0.548 0.063) 1.099 27.604 ( -0.137 -0.079 -0.296) 0.335 29.115 ( 0.267 0.154 0.169) 0.352 29.421 ( -1.604 -0.926 -0.123) 1.857 29.438 ( -7.057 -4.074 2.234) 8.450 30.937 ( 2.357 1.361 8.395) 8.826 31.080 ( 2.883 1.665 -5.584) 6.501 31.618 ( 5.011 2.893 -2.882) 6.464 ======================= Grid point 146 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -25.691 -14.833 0.880) 29.679 1.261 ( -27.898 -16.107 6.176) 32.800 1.677 ( -33.755 -19.489 9.905) 40.216 1.940 ( -11.605 -6.700 -1.176) 13.452 2.525 ( -12.729 -7.349 -0.087) 14.699 3.278 ( -0.475 -0.274 -0.507) 0.747 3.844 ( -1.878 -1.084 -0.012) 2.169 4.035 ( 3.438 1.985 -3.653) 5.395 4.119 ( -0.343 -0.198 -4.581) 4.598 4.266 ( 0.362 0.209 0.825) 0.925 4.467 ( 0.876 0.506 0.294) 1.054 4.788 ( 3.711 2.142 -3.583) 5.586 4.912 ( -2.519 -1.455 1.769) 3.405 5.367 ( 0.042 0.024 -9.629) 9.629 5.450 ( 5.640 3.256 -1.265) 6.634 6.088 ( 2.647 1.528 11.164) 11.575 6.250 ( 3.048 1.760 3.884) 5.241 6.314 ( 0.799 0.461 -4.870) 4.956 6.601 ( -8.221 -4.746 -1.587) 9.624 7.148 ( 2.617 1.511 -1.655) 3.446 7.830 ( 18.815 10.863 1.581) 21.783 11.715 ( 1.427 0.824 0.649) 1.771 11.847 ( -3.139 -1.812 5.377) 6.484 12.666 ( 0.543 0.314 0.138) 0.642 12.836 ( -5.838 -3.370 -1.020) 6.818 15.805 ( 3.003 1.734 -2.002) 4.004 15.881 ( 4.668 2.695 -1.489) 5.592 16.226 ( -1.613 -0.931 2.076) 2.788 16.350 ( -7.155 -4.131 -1.720) 8.439 16.541 ( -1.739 -1.004 -0.103) 2.010 17.725 ( 4.094 2.364 -0.867) 4.806 27.402 ( 1.043 0.602 0.246) 1.229 27.598 ( -0.167 -0.097 -0.323) 0.377 29.121 ( 0.261 0.150 -0.032) 0.303 29.291 ( -6.405 -3.698 1.698) 7.589 29.385 ( -1.479 -0.854 0.086) 1.710 30.911 ( -1.146 -0.662 -29.001) 29.031 31.162 ( 2.308 1.332 6.775) 7.280 31.791 ( 8.107 4.680 23.434) 25.234 ======================= Grid point 149 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 19.970 22.481) 30.069 1.010 ( 0.000 22.335 23.216) 32.215 1.628 ( -0.000 9.063 -8.887) 12.693 1.670 ( 0.000 17.606 50.791) 53.756 2.040 ( -0.000 26.867 -14.690) 30.621 3.231 ( -0.000 -0.244 -2.821) 2.832 3.625 ( -0.000 4.511 -15.034) 15.696 3.847 ( -0.000 10.314 -28.899) 30.685 4.134 ( 0.000 -2.219 2.150) 3.090 4.296 ( -0.000 6.184 -5.350) 8.177 4.367 ( -0.000 5.734 -3.269) 6.600 4.476 ( 0.000 1.767 1.310) 2.200 4.927 ( 0.000 -0.047 2.860) 2.861 5.016 ( -0.000 8.479 0.481) 8.493 5.572 ( 0.000 -5.062 -0.565) 5.093 6.223 ( -0.000 -0.251 -4.968) 4.974 6.273 ( -0.000 4.258 -2.043) 4.723 6.395 ( 0.000 -2.631 3.967) 4.760 6.438 ( 0.000 1.239 3.660) 3.864 7.130 ( -0.000 -2.047 -5.516) 5.883 8.404 ( 0.000 -22.813 2.580) 22.958 11.765 ( 0.000 -0.936 1.898) 2.116 11.836 ( 0.000 5.575 1.949) 5.905 12.674 ( -0.000 -0.236 -0.215) 0.319 12.711 ( -0.000 3.691 -0.538) 3.729 15.839 ( -0.000 -3.033 -1.507) 3.387 15.896 ( -0.000 -0.445 -2.015) 2.063 16.212 ( -0.000 3.826 0.067) 3.826 16.216 ( 0.000 2.173 1.322) 2.544 16.801 ( 0.000 -13.537 13.813) 19.340 17.765 ( -0.000 -3.233 -2.691) 4.206 27.450 ( 0.000 -2.636 0.914) 2.790 27.588 ( -0.000 -0.146 -0.646) 0.662 29.111 ( -0.000 0.062 -1.361) 1.363 29.187 ( -0.000 5.949 0.309) 5.957 29.375 ( 0.000 0.774 1.510) 1.697 29.819 ( -0.000 30.765 -26.606) 40.674 31.216 ( 0.000 -0.486 1.019) 1.129 33.070 ( 0.000 -38.331 28.977) 48.051 ======================= Grid point 150 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 15.950 19.365 17.295) 30.471 1.443 ( 12.395 21.514 18.283) 30.834 1.745 ( 6.368 13.264 -8.850) 17.170 2.101 ( 6.866 19.175 23.354) 30.987 2.358 ( 10.705 19.700 10.653) 24.823 3.197 ( -0.951 -0.677 -6.030) 6.142 3.623 ( 1.572 6.799 -12.343) 14.179 3.858 ( 5.919 0.488 -24.236) 24.953 4.147 ( 2.971 -3.077 2.009) 4.726 4.304 ( -1.120 -1.498 1.578) 2.447 4.367 ( -2.456 5.815 -9.629) 11.514 4.528 ( 2.442 2.465 1.766) 3.893 4.915 ( -2.251 0.657 1.052) 2.570 5.146 ( 5.039 5.794 -1.940) 7.920 5.487 ( -3.286 -5.383 -0.347) 6.316 6.169 ( -2.537 -0.237 -4.086) 4.815 6.257 ( -5.677 -2.585 5.298) 8.184 6.425 ( 3.366 -0.313 2.089) 3.974 6.495 ( 2.792 6.099 -1.925) 6.979 7.061 ( -1.741 -3.016 -6.806) 7.646 8.097 ( -9.749 -22.446 2.573) 24.607 11.761 ( -0.562 -0.764 1.625) 1.882 11.876 ( -2.594 5.235 3.491) 6.806 12.667 ( -0.421 0.073 -0.329) 0.540 12.782 ( 3.524 4.491 -0.412) 5.724 15.817 ( 1.253 -3.752 -1.372) 4.187 15.869 ( -0.542 -2.277 -1.355) 2.704 16.206 ( -1.598 2.360 0.847) 2.973 16.318 ( 4.234 4.820 -0.239) 6.420 16.749 ( 0.373 -7.005 10.979) 13.028 17.693 ( -2.483 -3.947 -3.657) 5.926 27.422 ( -0.985 -1.549 0.649) 1.947 27.582 ( 0.035 -0.237 -1.122) 1.147 29.106 ( -0.179 0.609 -1.438) 1.571 29.247 ( 0.679 5.190 1.347) 5.404 29.422 ( 2.028 3.332 1.598) 4.215 30.056 ( 10.357 16.526 -24.612) 31.403 31.204 ( -1.046 -0.861 0.186) 1.368 32.722 ( -14.524 -26.030 27.641) 40.652 ======================= Grid point 151 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 11.690 14.757 7.691) 20.336 1.972 ( 17.396 17.449 12.509) 27.632 2.054 ( 16.307 19.282 -0.649) 25.262 2.487 ( 11.810 16.493 2.799) 20.478 2.828 ( 12.531 14.858 24.180) 31.024 3.150 ( -0.400 0.851 -6.513) 6.581 3.670 ( 1.914 5.582 -10.785) 12.293 3.859 ( 7.551 -0.293 -17.601) 19.155 4.154 ( -1.892 -4.271 3.177) 5.650 4.244 ( -2.491 -1.380 0.723) 2.939 4.346 ( 0.029 2.358 -7.977) 8.319 4.600 ( 1.853 -0.070 5.653) 5.949 4.892 ( -1.614 3.375 -2.622) 4.569 5.239 ( 2.675 1.072 -2.847) 4.051 5.367 ( -4.774 -4.443 0.377) 6.533 6.106 ( -2.456 -0.589 -2.678) 3.681 6.132 ( -7.376 -4.138 5.908) 10.317 6.449 ( -0.764 -0.652 2.779) 2.955 6.630 ( 5.685 6.370 -5.844) 10.346 6.959 ( -2.053 -3.091 -8.534) 9.306 7.690 ( -13.984 -21.465 4.169) 25.955 11.743 ( -2.093 0.327 1.204) 2.437 11.899 ( -1.625 3.307 4.342) 5.695 12.659 ( -0.857 0.789 -0.367) 1.222 12.904 ( 5.930 3.869 -0.286) 7.086 15.781 ( -0.274 -4.003 -1.134) 4.170 15.820 ( -1.575 -3.701 -0.009) 4.022 16.215 ( -0.457 2.230 1.044) 2.505 16.436 ( 4.192 5.212 -1.456) 6.845 16.780 ( 3.371 -2.457 6.932) 8.091 17.581 ( -3.463 -4.129 -4.344) 6.922 27.397 ( -0.861 -0.877 0.715) 1.422 27.575 ( 0.154 -0.257 -1.754) 1.779 29.103 ( -0.515 1.353 -1.173) 1.863 29.322 ( 3.504 0.622 1.685) 3.938 29.517 ( 1.170 8.724 1.651) 8.955 30.235 ( 8.633 7.811 -17.491) 21.012 31.166 ( -1.900 -1.115 -1.615) 2.732 32.370 ( -14.638 -18.757 21.842) 32.298 ======================= Grid point 152 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 7.218 12.670 0.301) 14.585 2.468 ( 17.123 14.496 7.451) 23.640 2.565 ( 16.875 18.645 6.378) 25.943 2.833 ( 11.442 10.227 0.448) 15.353 3.105 ( 3.037 0.766 -2.925) 4.285 3.272 ( 8.157 11.856 10.404) 17.758 3.677 ( -1.339 3.182 -8.086) 8.792 3.958 ( -1.121 -2.437 -0.509) 2.731 4.029 ( 4.081 -3.395 -1.581) 5.539 4.244 ( 1.262 3.240 -3.673) 5.058 4.339 ( 1.377 -0.712 -2.892) 3.281 4.623 ( -0.256 -3.421 7.521) 8.266 4.932 ( 1.426 7.969 -2.901) 8.600 5.207 ( -2.560 -4.685 -3.726) 6.511 5.270 ( -3.143 -1.781 0.988) 3.745 5.993 ( -6.629 -4.151 4.743) 9.147 6.058 ( -1.446 -0.161 -2.410) 2.815 6.424 ( -2.421 -0.662 1.397) 2.873 6.647 ( -4.683 -1.418 -11.636) 12.623 6.917 ( 4.243 -0.070 -5.040) 6.589 7.293 ( -12.358 -16.123 7.320) 21.593 11.710 ( -3.198 1.408 1.030) 3.643 11.927 ( -0.202 1.277 4.461) 4.645 12.651 ( -1.241 1.597 -0.264) 2.039 13.041 ( 6.581 1.945 -0.274) 6.868 15.723 ( -1.104 -4.593 -0.817) 4.794 15.750 ( -2.070 -3.213 -0.238) 3.830 16.241 ( -0.290 2.916 1.620) 3.348 16.542 ( 3.599 4.624 -2.359) 6.316 16.848 ( 2.830 -1.174 3.724) 4.823 17.474 ( -1.859 -3.454 -4.095) 5.670 27.382 ( -0.631 -0.555 0.937) 1.259 27.568 ( 0.473 -0.103 -2.143) 2.197 29.105 ( -0.597 1.772 -0.820) 2.042 29.384 ( 3.942 -2.508 1.467) 4.897 29.638 ( 0.047 11.648 1.876) 11.799 30.360 ( 7.114 4.196 -9.228) 12.385 31.108 ( -1.839 -1.103 -4.131) 4.654 32.059 ( -12.641 -15.297 15.374) 25.103 ======================= Grid point 153 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 2.431 10.212 -0.025) 10.498 2.868 ( 12.428 8.853 1.617) 15.344 2.983 ( 8.580 13.837 3.194) 16.592 3.051 ( 6.195 4.466 2.217) 7.952 3.183 ( 6.253 5.169 0.156) 8.114 3.485 ( 0.852 0.179 -5.451) 5.520 3.657 ( 0.384 9.370 1.851) 9.559 3.715 ( -14.191 -6.007 3.823) 15.877 4.131 ( 3.800 -4.234 -3.599) 6.732 4.324 ( 2.152 -1.085 3.204) 4.009 4.380 ( 7.315 -2.086 -2.859) 8.126 4.651 ( 1.831 2.832 6.171) 7.032 5.039 ( 0.904 8.228 -1.915) 8.496 5.090 ( -2.191 -4.839 -5.356) 7.544 5.216 ( 0.349 -1.626 3.375) 3.763 5.883 ( -3.855 -2.939 3.216) 5.818 6.032 ( -0.301 -0.099 -2.730) 2.749 6.353 ( -5.202 -5.095 -1.189) 7.378 6.427 ( -7.229 -2.327 -7.147) 10.428 6.974 ( 2.445 -1.687 -0.371) 2.994 7.078 ( -3.396 -4.694 2.770) 6.422 11.677 ( -3.115 2.196 0.826) 3.900 11.953 ( 0.264 -0.446 4.706) 4.735 12.647 ( -1.413 2.320 -0.061) 2.717 13.147 ( 5.150 -0.719 -0.436) 5.219 15.654 ( -1.353 -3.805 -0.368) 4.055 15.696 ( -0.549 -2.252 -2.008) 3.066 16.272 ( -0.999 3.515 2.212) 4.272 16.624 ( 2.846 3.420 -3.105) 5.426 16.865 ( -0.703 -1.670 1.655) 2.454 17.426 ( 1.390 -2.243 -2.931) 3.944 27.370 ( -0.578 -0.520 0.734) 1.070 27.572 ( 0.931 0.204 -1.824) 2.058 29.109 ( -0.642 1.935 -0.509) 2.102 29.418 ( 3.044 -3.710 1.017) 4.906 29.746 ( -2.143 11.335 2.154) 11.735 30.487 ( 6.532 3.177 -0.599) 7.289 31.049 ( -0.713 -0.938 -7.285) 7.380 31.791 ( -9.365 -12.630 9.129) 18.181 ======================= Grid point 154 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -4.228 6.461 -0.175) 7.723 3.026 ( 1.905 -0.732 -1.096) 2.317 3.133 ( 0.172 4.763 1.368) 4.958 3.171 ( -3.941 2.517 6.456) 7.972 3.233 ( -14.036 1.689 -5.062) 15.016 3.370 ( -7.096 -2.591 -4.706) 8.900 3.537 ( 7.288 3.827 5.596) 9.954 3.859 ( 4.507 6.683 3.360) 8.733 4.107 ( 1.533 -2.253 -6.234) 6.804 4.341 ( 1.941 -1.976 2.059) 3.452 4.391 ( 1.533 -8.321 1.473) 8.589 4.669 ( -6.870 0.159 -0.139) 6.874 5.008 ( 1.225 -3.392 -5.612) 6.671 5.066 ( 1.084 -0.246 1.279) 1.694 5.359 ( 4.342 7.388 5.507) 10.186 5.867 ( 2.430 -0.776 4.573) 5.237 6.022 ( 2.753 -0.624 -2.634) 3.861 6.229 ( 1.025 -0.550 -1.192) 1.666 6.343 ( -2.411 0.450 -3.012) 3.884 6.962 ( -0.600 -1.605 2.747) 3.237 7.054 ( 1.006 -1.073 -3.571) 3.862 11.660 ( -2.172 2.803 0.572) 3.592 11.967 ( -0.119 -1.893 5.208) 5.543 12.648 ( -1.361 2.770 0.135) 3.089 13.188 ( 2.014 -3.166 -0.749) 3.827 15.614 ( 0.478 -1.801 -0.985) 2.107 15.669 ( 0.708 -1.238 -2.819) 3.159 16.291 ( -1.836 2.795 2.553) 4.207 16.672 ( 1.419 1.789 -3.749) 4.390 16.822 ( -2.898 -1.300 0.827) 3.282 17.436 ( 2.947 -1.564 -1.903) 3.841 27.359 ( -0.356 -0.432 0.270) 0.622 27.585 ( 1.028 0.354 -1.129) 1.568 29.115 ( -0.683 1.898 -0.275) 2.035 29.424 ( 1.962 -4.485 0.684) 4.943 29.793 ( -5.708 9.258 2.398) 11.137 30.644 ( 6.183 3.284 8.380) 10.920 31.001 ( 1.056 -0.733 -11.185) 11.258 31.591 ( -4.593 -9.378 3.272) 10.943 ======================= Grid point 155 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -11.579 2.314 -0.527) 11.820 2.776 ( -23.978 -8.219 4.504) 25.744 2.888 ( -20.618 -2.119 -3.204) 20.973 3.059 ( -7.397 -3.242 2.677) 8.508 3.195 ( -2.491 0.788 -3.644) 4.484 3.241 ( -5.830 -0.845 1.350) 6.043 3.770 ( 8.016 4.418 2.980) 9.626 3.922 ( -0.141 1.614 0.050) 1.621 4.103 ( 1.334 1.647 -6.355) 6.699 4.312 ( 0.508 -7.321 -2.442) 7.734 4.416 ( 3.879 -1.256 3.135) 5.143 4.511 ( -4.849 -1.793 -0.886) 5.246 5.039 ( 6.075 -0.163 -1.523) 6.265 5.082 ( -0.026 -2.055 3.689) 4.223 5.432 ( -3.178 4.777 2.251) 6.163 5.909 ( 2.410 -2.627 3.537) 5.022 6.108 ( 1.361 4.644 4.415) 6.550 6.301 ( -0.777 0.047 -3.641) 3.723 6.471 ( 23.516 6.720 -2.599) 24.595 6.953 ( -1.375 -0.662 0.813) 1.729 7.032 ( 0.679 -1.133 -3.417) 3.663 11.665 ( -0.972 3.194 0.346) 3.356 11.959 ( -0.918 -3.077 5.784) 6.616 12.655 ( -1.125 2.722 0.230) 2.954 13.147 ( -1.774 -4.390 -1.108) 4.863 15.629 ( 2.986 -0.042 -1.548) 3.364 15.672 ( 1.925 0.230 -2.794) 3.401 16.288 ( -1.923 0.803 2.672) 3.389 16.669 ( -1.097 0.499 -3.188) 3.409 16.750 ( -4.720 -0.927 -0.582) 4.845 17.477 ( 4.108 -0.581 -1.218) 4.324 27.356 ( 0.239 -0.133 0.095) 0.289 27.598 ( 0.601 0.242 -0.743) 0.986 29.121 ( -0.660 1.715 -0.143) 1.843 29.405 ( 1.013 -5.167 0.637) 5.303 29.753 ( -9.265 6.359 2.427) 11.496 30.830 ( 4.717 2.954 16.250) 17.177 30.968 ( 3.069 -0.253 -15.206) 15.514 31.493 ( 1.149 -5.257 -1.072) 5.487 ======================= Grid point 156 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -20.081 -1.128 -0.212) 20.114 2.254 ( -29.332 -8.873 5.485) 31.132 2.492 ( -21.032 -1.934 -2.244) 21.239 2.733 ( -25.207 -8.661 2.988) 26.820 2.978 ( -11.697 -6.474 1.744) 13.482 3.262 ( 0.897 1.694 -0.210) 1.928 3.898 ( 4.452 3.253 -2.892) 6.226 3.936 ( -2.030 2.692 0.424) 3.399 4.111 ( 0.553 -0.259 -4.763) 4.802 4.268 ( 1.235 -2.896 -1.367) 3.432 4.374 ( 0.906 -3.029 -0.184) 3.167 4.595 ( 7.215 1.513 0.027) 7.372 5.045 ( -3.192 -2.217 2.266) 4.499 5.175 ( 8.122 1.312 1.872) 8.438 5.414 ( -2.605 2.527 -2.505) 4.410 5.959 ( 4.208 -2.528 5.013) 7.017 6.196 ( 0.566 5.589 6.098) 8.291 6.277 ( 0.545 -0.741 -4.915) 5.000 6.855 ( -3.682 -0.673 -1.998) 4.242 6.999 ( 20.958 5.609 -0.488) 21.701 7.062 ( 7.803 1.200 -2.261) 8.212 11.689 ( -0.055 3.188 0.191) 3.194 11.929 ( -1.650 -4.088 6.130) 7.551 12.664 ( -0.755 2.038 0.179) 2.181 13.042 ( -4.849 -3.892 -1.323) 6.357 15.690 ( 4.383 0.716 -2.126) 4.924 15.717 ( 3.531 1.916 -1.618) 4.331 16.269 ( -1.534 -1.163 2.379) 3.060 16.626 ( -2.743 0.197 -4.217) 5.034 16.628 ( -7.639 -1.183 0.738) 7.765 17.555 ( 5.459 0.659 -1.106) 5.609 27.366 ( 0.872 0.146 0.160) 0.899 27.602 ( 0.086 0.097 -0.690) 0.702 29.125 ( -0.542 1.432 -0.160) 1.540 29.365 ( 0.037 -5.468 0.864) 5.536 29.638 ( -10.780 3.747 1.959) 11.579 30.895 ( 1.181 -0.815 -13.702) 13.777 31.047 ( 4.737 2.164 11.503) 12.627 31.529 ( 6.832 -0.717 2.443) 7.291 ======================= Grid point 157 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -27.981 -1.596 2.896) 28.176 1.694 ( -30.586 -6.688 8.865) 32.540 2.128 ( -20.811 -3.397 -0.687) 21.098 2.183 ( -29.752 -6.371 10.034) 32.038 2.700 ( -14.588 -4.981 0.086) 15.415 3.274 ( 0.186 0.003 -2.182) 2.190 3.888 ( -4.445 -0.177 -2.598) 5.152 3.993 ( 3.775 5.291 -4.481) 7.895 4.084 ( 0.824 -1.456 -2.389) 2.917 4.258 ( 0.510 -0.735 -0.247) 0.928 4.425 ( 4.306 -0.485 1.288) 4.521 4.699 ( 4.996 0.175 -6.170) 7.941 4.964 ( -4.317 -1.749 1.206) 4.812 5.333 ( 6.303 1.493 0.950) 6.547 5.371 ( -0.614 0.594 -7.816) 7.862 6.045 ( 5.510 -2.966 7.660) 9.891 6.256 ( 1.326 -2.081 -5.281) 5.829 6.290 ( 0.879 5.057 6.141) 8.004 6.710 ( -8.735 -1.448 -2.078) 9.095 7.097 ( 3.303 0.942 -3.075) 4.610 7.535 ( 26.045 5.471 2.318) 26.714 11.722 ( 0.360 2.465 0.143) 2.496 11.881 ( -2.020 -4.936 5.734) 7.830 12.670 ( -0.294 0.851 0.011) 0.900 12.909 ( -6.275 -1.941 -1.266) 6.689 15.761 ( 3.590 1.905 -1.582) 4.361 15.809 ( 5.286 1.735 -1.052) 5.662 16.236 ( -1.336 -2.336 1.463) 3.063 16.464 ( -8.770 -0.722 -1.935) 9.010 16.584 ( -2.816 1.472 1.794) 3.649 17.653 ( 5.569 0.880 -1.616) 5.865 27.387 ( 1.222 0.182 0.252) 1.261 27.599 ( -0.143 0.066 -0.680) 0.698 29.128 ( -0.379 0.919 -0.420) 1.079 29.307 ( -1.704 -4.532 1.211) 4.991 29.500 ( -8.907 1.809 1.182) 9.165 30.794 ( -1.599 -1.464 -26.918) 27.005 31.162 ( 2.173 0.410 6.028) 6.421 31.755 ( 12.577 2.551 22.253) 25.688 ======================= Grid point 161 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 21.055 17.107) 27.129 1.655 ( 0.000 24.142 17.063) 29.564 1.785 ( -0.000 15.459 -9.260) 18.021 2.310 ( -0.000 22.857 0.916) 22.875 2.596 ( 0.000 22.428 32.345) 39.360 3.159 ( -0.000 -1.543 -8.504) 8.643 3.631 ( -0.000 8.477 -11.596) 14.364 3.711 ( -0.000 2.140 -22.701) 22.801 4.097 ( 0.000 -3.389 1.643) 3.766 4.305 ( 0.000 -1.036 0.574) 1.184 4.414 ( -0.000 4.228 -6.542) 7.789 4.525 ( 0.000 0.459 3.336) 3.368 4.960 ( 0.000 1.882 1.137) 2.199 5.144 ( -0.000 4.298 -2.715) 5.084 5.460 ( 0.000 -5.322 0.259) 5.329 6.167 ( -0.000 -0.823 -4.683) 4.755 6.342 ( 0.000 1.561 3.101) 3.472 6.370 ( 0.000 -3.599 3.887) 5.297 6.525 ( -0.000 6.633 -2.669) 7.150 7.010 ( -0.000 -4.240 -6.684) 7.915 7.936 ( 0.000 -26.539 0.772) 26.550 11.757 ( 0.000 -1.712 2.049) 2.670 11.986 ( 0.000 7.125 2.477) 7.543 12.664 ( -0.000 -0.533 -0.274) 0.599 12.806 ( -0.000 5.992 -0.090) 5.993 15.753 ( -0.000 -4.147 -1.419) 4.383 15.837 ( 0.000 -4.042 -0.677) 4.099 16.276 ( 0.000 2.584 1.207) 2.852 16.310 ( -0.000 5.990 -0.767) 6.039 16.717 ( 0.000 -6.758 10.046) 12.107 17.653 ( -0.000 -4.827 -3.876) 6.190 27.417 ( 0.000 -1.550 0.665) 1.686 27.573 ( -0.000 -0.487 -1.483) 1.561 29.098 ( -0.000 -0.030 -1.334) 1.335 29.354 ( -0.000 9.689 2.447) 9.993 29.411 ( 0.000 1.443 1.503) 2.083 30.038 ( -0.000 16.640 -21.362) 27.078 31.206 ( 0.000 -0.963 -0.167) 0.978 32.683 ( 0.000 -28.258 23.536) 36.776 ======================= Grid point 162 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 8.937 15.513 7.222) 19.305 2.004 ( 10.031 20.903 0.734) 23.197 2.030 ( 8.073 22.416 11.362) 26.396 2.555 ( 3.140 22.178 -2.183) 22.506 2.980 ( 2.492 15.775 25.752) 30.302 3.123 ( 2.285 2.560 -4.473) 5.638 3.633 ( 0.908 2.115 -16.430) 16.590 3.706 ( 4.009 6.963 -11.407) 13.952 4.104 ( 3.618 -3.458 1.816) 5.324 4.278 ( -2.434 -2.590 1.948) 4.053 4.381 ( -3.837 2.576 -4.017) 6.124 4.574 ( 2.936 -0.755 3.948) 4.978 4.958 ( -2.702 4.276 -1.707) 5.338 5.180 ( 2.713 -0.695 -3.626) 4.582 5.396 ( -2.673 -3.197 0.909) 4.265 6.121 ( -1.735 -0.582 -4.023) 4.420 6.245 ( -7.277 -3.734 5.053) 9.614 6.438 ( 3.038 -0.985 2.771) 4.229 6.599 ( 2.851 7.436 -5.716) 9.803 6.917 ( -1.880 -4.846 -7.539) 9.157 7.628 ( -5.506 -26.410 2.104) 27.059 11.752 ( 0.305 -1.566 1.663) 2.304 12.028 ( -4.044 6.673 2.992) 8.357 12.665 ( 0.631 -0.032 -0.336) 0.716 12.880 ( 1.882 5.440 0.121) 5.758 15.719 ( 1.163 -4.726 -1.267) 5.029 15.789 ( -0.137 -5.048 0.107) 5.051 16.272 ( -2.219 3.152 1.035) 3.991 16.414 ( 4.072 5.300 -1.362) 6.821 16.728 ( 2.419 -3.268 7.332) 8.384 17.566 ( -2.264 -4.910 -4.131) 6.804 27.403 ( -0.478 -0.999 0.904) 1.430 27.560 ( 0.091 -0.604 -2.030) 2.120 29.102 ( 0.953 0.270 -1.189) 1.547 29.357 ( -3.694 3.656 1.975) 5.560 29.559 ( 5.327 8.842 2.863) 10.713 30.129 ( 4.515 10.915 -17.311) 20.957 31.180 ( -1.570 -0.905 -1.478) 2.339 32.448 ( -7.925 -24.397 19.782) 32.394 ======================= Grid point 163 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 8.873 14.318 -0.825) 16.865 2.437 ( 10.650 19.724 8.048) 23.816 2.480 ( 16.953 18.600 5.878) 25.844 2.813 ( 5.258 15.711 -0.728) 16.583 3.064 ( 1.655 2.090 -4.497) 5.228 3.342 ( 2.590 11.904 5.174) 13.235 3.659 ( 4.950 4.234 -1.272) 6.637 3.814 ( 6.122 5.619 -5.337) 9.876 4.121 ( -4.720 -2.960 4.648) 7.256 4.212 ( 1.951 -2.116 0.131) 2.881 4.329 ( -2.248 0.289 -0.922) 2.446 4.611 ( 0.516 -2.920 5.562) 6.303 4.972 ( 0.348 6.380 -4.219) 7.657 5.161 ( 0.152 -4.563 -3.797) 5.938 5.321 ( -4.062 -1.259 -0.015) 4.253 6.067 ( -2.140 -0.622 -4.211) 4.765 6.099 ( -7.384 -4.225 5.566) 10.167 6.452 ( -0.729 -1.042 -0.137) 1.279 6.666 ( -2.270 2.263 -7.391) 8.057 6.810 ( 2.436 -3.847 -7.215) 8.532 7.300 ( -6.507 -20.856 5.979) 22.651 11.751 ( -0.065 -0.490 1.037) 1.149 12.021 ( -4.941 4.749 3.729) 7.802 12.679 ( 0.303 1.538 -0.301) 1.596 12.968 ( 3.564 2.651 0.036) 4.441 15.675 ( 0.104 -5.349 -0.863) 5.419 15.735 ( -0.720 -4.798 0.081) 4.852 16.288 ( -0.467 3.638 1.356) 3.911 16.523 ( 3.701 4.878 -1.976) 6.434 16.790 ( 3.730 -1.250 4.102) 5.684 17.455 ( -2.760 -4.416 -3.881) 6.495 27.391 ( -0.579 -0.599 1.250) 1.502 27.547 ( 0.413 -0.449 -2.454) 2.529 29.120 ( 0.793 1.231 -0.854) 1.695 29.350 ( -0.774 0.821 1.612) 1.968 29.748 ( 2.888 12.051 3.279) 12.818 30.238 ( 6.633 6.044 -11.695) 14.741 31.123 ( -2.805 -0.658 -3.303) 4.383 32.148 ( -10.321 -20.997 15.268) 27.938 ======================= Grid point 164 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 5.122 13.699 -0.287) 14.628 2.789 ( 8.772 11.374 0.931) 14.394 2.951 ( 15.265 15.050 3.298) 21.689 3.012 ( 6.037 7.928 1.769) 10.121 3.132 ( 3.073 5.590 -0.839) 6.434 3.453 ( 3.295 6.306 -9.889) 12.182 3.771 ( -1.203 10.284 -0.655) 10.375 3.911 ( -8.894 -3.686 3.765) 10.337 3.992 ( 3.184 -4.160 7.625) 9.251 4.296 ( 2.844 0.044 -1.695) 3.311 4.320 ( 1.902 2.321 6.825) 7.455 4.623 ( 2.969 -1.516 5.416) 6.360 4.996 ( 0.950 -5.643 -5.871) 8.198 5.126 ( -0.773 6.375 -4.608) 7.904 5.221 ( -3.435 -3.700 0.488) 5.072 5.948 ( -5.662 -3.835 1.965) 7.115 6.027 ( -1.915 -0.804 -2.665) 3.378 6.393 ( -4.091 -4.153 -0.367) 5.841 6.483 ( -7.242 -3.672 -7.417) 10.998 6.876 ( 6.200 -0.323 -2.760) 6.794 7.092 ( -3.584 -9.662 5.036) 11.469 11.748 ( -1.347 1.497 0.415) 2.056 11.997 ( -3.420 1.408 4.357) 5.715 12.700 ( -0.793 3.479 -0.054) 3.568 13.045 ( 4.565 -1.275 -0.318) 4.751 15.620 ( -0.169 -4.828 -0.407) 4.848 15.675 ( -1.008 -3.553 -0.994) 3.824 16.332 ( -0.024 4.188 1.523) 4.457 16.612 ( 2.356 4.489 -2.110) 5.491 16.842 ( 1.930 -1.548 1.533) 2.910 17.371 ( -0.299 -3.407 -2.871) 4.465 27.380 ( -0.745 -0.607 1.126) 1.480 27.546 ( 1.038 0.030 -2.187) 2.421 29.141 ( -0.148 2.401 -0.481) 2.453 29.356 ( 1.015 -1.736 1.088) 2.286 29.909 ( -0.604 13.421 2.841) 13.732 30.374 ( 8.743 3.548 -4.880) 10.623 31.046 ( -3.218 -0.523 -5.154) 6.099 31.844 ( -9.509 -18.258 10.241) 22.993 ======================= Grid point 165 (60/146) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -2.151 11.039 0.028) 11.247 2.950 ( 5.629 1.439 -2.658) 6.389 3.188 ( 0.870 6.448 1.870) 6.770 3.224 ( 4.941 8.864 2.154) 10.374 3.336 ( 9.862 3.731 1.566) 10.659 3.448 ( -6.198 8.905 -9.826) 14.638 3.653 ( -15.194 -3.268 5.049) 16.341 3.850 ( 2.668 2.682 -1.126) 3.947 4.042 ( 2.731 -1.641 4.655) 5.641 4.294 ( -0.414 0.318 -3.044) 3.089 4.386 ( -2.258 -1.791 11.216) 11.580 4.730 ( 1.379 -0.974 3.802) 4.160 4.904 ( 1.722 -6.751 -6.291) 9.387 5.027 ( -1.351 -4.163 -6.711) 8.012 5.337 ( 8.711 7.829 3.044) 12.102 5.859 ( -1.728 -2.452 2.318) 3.791 5.956 ( -1.125 -3.640 -3.969) 5.502 6.267 ( -3.886 -2.020 3.418) 5.556 6.375 ( -2.976 0.016 -4.447) 5.351 6.944 ( 2.990 -0.832 0.237) 3.113 7.011 ( -0.508 -3.122 -0.893) 3.287 11.739 ( -2.523 3.460 -0.183) 4.286 11.975 ( -1.271 -2.138 5.004) 5.588 12.718 ( -1.972 4.747 0.247) 5.146 13.089 ( 4.159 -4.420 -0.821) 6.124 15.580 ( 0.376 -2.960 -0.376) 3.007 15.631 ( 0.189 -2.133 -1.968) 2.909 16.368 ( -1.531 3.777 1.307) 4.280 16.667 ( 0.554 3.644 -2.153) 4.268 16.840 ( -0.389 -1.806 0.590) 1.939 17.355 ( 2.689 -2.491 -1.913) 4.134 27.365 ( -0.711 -0.636 0.564) 1.108 27.562 ( 1.400 0.412 -1.397) 2.021 29.156 ( -1.078 3.062 -0.244) 3.255 29.356 ( 1.515 -3.542 0.679) 3.912 30.003 ( -4.731 12.007 2.295) 13.108 30.563 ( 10.284 3.443 1.719) 10.981 30.961 ( -2.725 -0.929 -6.444) 7.058 31.581 ( -6.109 -14.722 4.953) 16.691 ======================= Grid point 166 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -9.401 6.075 -0.048) 11.194 3.012 ( -0.878 0.776 0.172) 1.184 3.163 ( -14.601 -1.384 -1.868) 14.785 3.233 ( -12.975 -2.176 5.456) 14.243 3.258 ( -8.499 3.016 -3.674) 9.738 3.352 ( -5.119 4.338 1.403) 6.855 3.682 ( 6.892 5.709 -1.194) 9.029 3.888 ( 5.386 -2.849 1.379) 6.247 4.113 ( 0.140 4.096 0.451) 4.123 4.269 ( -3.340 1.508 -6.088) 7.106 4.344 ( 1.443 -6.771 8.989) 11.346 4.577 ( -8.106 -6.600 -4.308) 11.306 4.914 ( 6.308 -2.127 -1.020) 6.735 5.048 ( 3.583 -1.646 2.368) 4.600 5.526 ( 0.740 5.661 -0.896) 5.779 5.849 ( 1.802 -2.950 -0.317) 3.472 6.036 ( 15.291 1.866 4.074) 15.934 6.263 ( 2.194 1.201 1.756) 3.056 6.313 ( -2.501 0.472 -2.643) 3.669 6.968 ( 0.107 0.010 0.721) 0.729 6.984 ( 1.001 -1.503 -3.958) 4.351 11.732 ( -2.426 4.216 -0.602) 4.901 11.955 ( -0.237 -4.497 5.466) 7.083 12.725 ( -2.662 4.365 0.320) 5.123 13.091 ( 2.109 -5.011 -1.221) 5.572 15.575 ( 1.843 -0.997 -0.982) 2.314 15.627 ( 1.899 -0.450 -1.797) 2.652 16.358 ( -3.373 1.769 1.366) 4.046 16.683 ( -0.842 2.343 -2.260) 3.362 16.808 ( -2.325 -0.777 0.515) 2.505 17.386 ( 4.209 -1.570 -1.467) 4.726 27.353 ( -0.185 -0.383 0.277) 0.508 27.583 ( 1.095 0.429 -0.932) 1.500 29.162 ( -1.560 2.841 -0.208) 3.248 29.344 ( 1.190 -4.135 0.663) 4.353 29.995 ( -9.132 7.941 2.127) 12.287 30.787 ( 10.033 2.283 -1.291) 10.370 30.891 ( -1.031 -0.115 1.021) 1.455 31.413 ( -0.723 -9.251 0.177) 9.281 ======================= Grid point 167 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -15.616 2.037 0.721) 15.764 2.710 ( -27.683 -3.478 4.409) 28.247 2.864 ( -22.707 1.951 -2.424) 22.919 3.018 ( -8.710 -3.249 2.091) 9.528 3.131 ( -13.560 -1.082 0.810) 13.627 3.286 ( -3.256 -0.199 3.135) 4.524 3.806 ( 6.301 3.595 -5.539) 9.128 4.002 ( 2.839 2.022 3.495) 4.936 4.115 ( -3.548 -1.183 -1.314) 3.964 4.177 ( 2.081 -0.587 -3.154) 3.824 4.351 ( -1.853 -3.362 -3.184) 4.988 4.484 ( 5.465 -0.848 0.826) 5.592 5.021 ( 5.601 -0.956 0.742) 5.730 5.092 ( 2.587 -0.586 4.687) 5.385 5.493 ( -5.060 1.554 -4.647) 7.044 5.876 ( 4.073 -2.208 1.452) 4.855 6.213 ( 1.360 -1.755 -2.330) 3.219 6.300 ( -1.431 3.619 5.288) 6.565 6.559 ( 28.142 3.375 1.089) 28.364 6.928 ( -2.699 -1.149 -3.191) 4.334 7.000 ( 1.806 0.989 -1.665) 2.648 11.735 ( -1.421 3.528 -0.742) 3.876 11.926 ( -0.477 -5.503 5.421) 7.739 12.714 ( -2.454 2.184 0.070) 3.286 13.055 ( -1.182 -2.660 -1.283) 3.181 15.616 ( 3.840 0.473 -1.278) 4.074 15.668 ( 3.231 0.992 -0.948) 3.510 16.311 ( -3.438 -0.481 1.488) 3.777 16.664 ( -2.454 1.520 -2.506) 3.823 16.742 ( -5.309 0.008 1.203) 5.444 17.454 ( 5.580 -0.222 -1.488) 5.779 27.355 ( 0.515 -0.092 0.302) 0.604 27.596 ( 0.468 0.308 -0.904) 1.064 29.157 ( -1.452 1.707 -0.322) 2.264 29.324 ( 0.374 -3.165 0.900) 3.312 29.874 ( -11.865 2.785 1.788) 12.317 30.782 ( 1.487 -2.356 -16.846) 17.075 31.051 ( 5.028 2.416 15.320) 16.304 31.403 ( 6.992 -2.084 1.579) 7.465 ======================= Grid point 168 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -21.381 1.134 3.349) 21.671 2.210 ( -29.792 -1.797 6.916) 30.637 2.475 ( -23.480 1.791 -2.111) 23.643 2.698 ( -26.034 -0.918 9.758) 27.818 2.913 ( -13.388 -0.574 2.356) 13.606 3.257 ( -0.302 -0.764 -2.851) 2.967 3.908 ( 1.785 2.164 -6.214) 6.818 3.993 ( -2.382 -0.997 -4.098) 4.844 4.048 ( 2.246 0.174 1.251) 2.577 4.247 ( -0.081 2.220 -1.784) 2.849 4.341 ( 5.447 0.423 1.281) 5.612 4.581 ( 5.539 -0.998 -3.386) 6.568 5.019 ( -3.186 -1.627 0.362) 3.596 5.213 ( 7.854 -0.131 3.317) 8.527 5.389 ( -3.655 -0.402 -7.378) 8.244 5.948 ( 5.414 -2.357 3.731) 6.985 6.183 ( 1.065 -3.212 -4.691) 5.784 6.349 ( 0.188 2.304 5.969) 6.401 6.829 ( -6.418 0.521 -2.843) 7.039 7.031 ( 4.857 0.422 -5.664) 7.473 7.107 ( 27.634 2.061 5.548) 28.260 11.741 ( -0.417 1.110 -0.525) 1.297 11.883 ( -1.278 -4.784 4.637) 6.784 12.689 ( -1.464 -0.275 -0.243) 1.510 12.991 ( -4.493 0.790 -1.031) 4.677 15.699 ( 4.991 1.527 -0.655) 5.260 15.740 ( 4.125 1.069 -0.243) 4.268 16.254 ( -2.551 -1.544 0.858) 3.103 16.583 ( -6.574 0.080 -2.683) 7.101 16.681 ( -4.111 2.807 3.742) 6.227 17.547 ( 6.081 0.213 -2.121) 6.444 27.370 ( 1.001 -0.038 0.356) 1.063 27.598 ( 0.010 0.250 -1.003) 1.034 29.143 ( -1.003 -0.011 -0.557) 1.147 29.307 ( -0.665 -0.501 1.058) 1.346 29.686 ( -11.485 -1.103 1.181) 11.598 30.689 ( -0.590 -1.496 -20.263) 20.327 31.154 ( 1.635 -0.256 4.523) 4.816 31.637 ( 14.020 1.919 16.835) 21.992 ======================= Grid point 173 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.000 13.742 0.451) 13.750 2.128 ( 0.000 21.424 5.622) 22.149 2.251 ( 0.000 23.381 10.901) 25.798 2.754 ( -0.000 23.588 -1.964) 23.670 3.042 ( -0.000 -0.853 -10.234) 10.270 3.280 ( 0.000 17.309 21.846) 27.872 3.570 ( -0.000 1.324 -8.475) 8.578 3.717 ( -0.000 9.384 -8.992) 12.997 4.027 ( 0.000 -5.275 1.128) 5.394 4.289 ( 0.000 -1.616 1.836) 2.446 4.450 ( -0.000 4.924 -3.106) 5.822 4.537 ( 0.000 -3.540 5.630) 6.651 5.031 ( -0.000 5.290 -1.101) 5.403 5.108 ( -0.000 -4.121 -4.747) 6.287 5.401 ( 0.000 -1.383 0.828) 1.611 6.113 ( -0.000 -0.370 -4.014) 4.031 6.329 ( 0.000 -4.169 3.891) 5.703 6.369 ( 0.000 -1.152 0.410) 1.223 6.617 ( -0.000 6.326 -6.072) 8.769 6.851 ( -0.000 -6.198 -6.099) 8.696 7.418 ( 0.000 -26.352 2.879) 26.509 11.737 ( 0.000 -2.033 1.643) 2.614 12.144 ( -0.000 6.895 1.510) 7.058 12.649 ( -0.000 -0.668 -0.301) 0.733 12.929 ( -0.000 6.024 0.646) 6.059 15.659 ( 0.000 -4.171 -0.888) 4.264 15.735 ( 0.000 -6.105 0.758) 6.152 16.334 ( 0.000 2.367 0.674) 2.461 16.407 ( -0.000 4.556 -1.633) 4.839 16.720 ( 0.000 -0.817 6.489) 6.540 17.520 ( -0.000 -4.731 -3.774) 6.052 27.403 ( 0.000 -0.741 1.237) 1.442 27.542 ( -0.000 -0.797 -2.399) 2.527 29.086 ( -0.000 -0.028 -1.065) 1.066 29.454 ( 0.000 1.576 1.208) 1.986 29.596 ( 0.000 11.272 4.344) 12.080 30.128 ( -0.000 10.411 -14.991) 18.251 31.180 ( -0.000 -0.221 -2.432) 2.442 32.353 ( 0.000 -25.068 16.956) 30.264 ======================= Grid point 174 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 7.589 12.787 -1.650) 14.960 2.448 ( 10.124 18.040 7.033) 21.849 2.555 ( 4.278 20.989 7.320) 22.636 2.934 ( -1.680 12.647 -2.542) 13.009 3.039 ( 3.146 8.258 -5.751) 10.544 3.406 ( -0.774 5.440 -11.912) 13.118 3.686 ( 3.364 9.154 21.065) 23.213 3.791 ( 2.641 8.433 -7.462) 11.566 4.036 ( 6.636 -4.946 1.107) 8.350 4.246 ( -4.209 -2.556 2.045) 5.332 4.405 ( -5.651 0.114 2.903) 6.354 4.599 ( 3.548 1.257 4.207) 5.645 4.995 ( -2.526 -2.648 -4.843) 6.070 5.107 ( 1.711 1.926 -2.279) 3.440 5.369 ( -2.790 -0.813 -1.105) 3.109 6.077 ( -1.872 -0.017 -4.381) 4.765 6.206 ( -7.227 -4.032 3.533) 8.998 6.410 ( 3.026 -2.124 -3.116) 4.835 6.669 ( 3.922 2.223 -5.074) 6.788 6.722 ( -4.241 -6.999 -6.055) 10.181 7.187 ( -1.554 -20.006 6.458) 21.080 11.733 ( 0.921 -1.717 1.205) 2.291 12.174 ( -4.410 5.856 1.123) 7.416 12.660 ( 1.985 -0.100 -0.296) 2.010 12.984 ( -0.353 4.427 0.784) 4.510 15.619 ( 0.171 -4.520 -0.267) 4.531 15.685 ( 0.529 -5.579 0.650) 5.641 16.339 ( -1.232 2.897 0.506) 3.188 16.482 ( 4.201 2.982 -1.616) 5.399 16.763 ( 1.599 0.977 4.385) 4.769 17.442 ( -2.180 -3.958 -3.199) 5.536 27.401 ( -0.358 -0.457 1.609) 1.710 27.524 ( 0.274 -0.648 -2.653) 2.744 29.097 ( 1.652 0.175 -0.778) 1.834 29.425 ( -4.251 2.011 1.172) 4.846 29.793 ( 6.267 10.426 4.537) 12.983 30.176 ( 2.158 7.793 -11.471) 14.035 31.151 ( -2.041 0.861 -3.976) 4.551 32.134 ( -5.710 -23.324 13.786) 27.688 ======================= Grid point 175 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 10.126 11.331 -0.541) 15.206 2.794 ( 5.613 8.934 -0.451) 10.560 2.858 ( 11.124 15.357 4.323) 19.449 3.013 ( 4.106 8.133 2.215) 9.376 3.186 ( 0.994 12.066 -1.730) 12.229 3.395 ( 2.766 3.500 -11.456) 12.294 3.859 ( 0.690 8.430 -7.780) 11.492 3.920 ( 2.859 3.132 14.590) 15.194 4.114 ( -8.370 -2.581 4.214) 9.720 4.172 ( 11.291 -1.428 0.043) 11.381 4.345 ( -1.939 -2.078 9.505) 9.921 4.673 ( -2.028 5.633 5.894) 8.402 4.883 ( -0.559 -9.216 -6.425) 11.249 5.161 ( 1.370 6.218 -3.325) 7.183 5.262 ( -6.039 -4.110 -3.245) 7.993 5.991 ( -4.503 -1.813 -6.134) 7.822 6.084 ( -5.363 -2.485 4.653) 7.523 6.380 ( -0.848 -4.468 -4.739) 6.568 6.516 ( -4.649 -7.672 -4.351) 9.970 6.769 ( 5.037 2.714 -1.620) 5.946 7.052 ( -0.674 -10.589 5.798) 12.092 11.746 ( 1.527 -0.793 0.767) 1.884 12.130 ( -6.569 3.586 1.253) 7.588 12.710 ( 2.932 1.635 -0.151) 3.361 13.005 ( -0.575 0.992 0.465) 1.238 15.574 ( -0.085 -4.520 0.527) 4.552 15.645 ( -0.046 -3.774 -0.458) 3.802 16.367 ( 0.471 3.197 0.604) 3.288 16.580 ( 4.882 2.494 -1.244) 5.622 16.815 ( 1.243 0.760 1.925) 2.414 17.353 ( -2.413 -2.903 -2.217) 4.378 27.394 ( -0.790 -0.576 1.386) 1.696 27.519 ( 0.939 -0.019 -2.170) 2.365 29.134 ( 2.387 0.793 -0.397) 2.546 29.378 ( -3.380 0.772 0.714) 3.539 30.023 ( 5.004 11.268 4.966) 13.292 30.249 ( 5.224 4.291 -7.800) 10.322 31.093 ( -3.881 2.142 -5.282) 6.896 31.850 ( -8.290 -20.972 10.218) 24.758 ======================= Grid point 176 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 6.009 10.317 0.630) 11.956 2.866 ( 2.402 0.648 -3.048) 3.934 3.182 ( 9.817 6.282 2.563) 11.933 3.244 ( 6.322 10.502 3.128) 12.651 3.268 ( 1.152 7.113 -0.687) 7.238 3.476 ( 5.714 6.428 -9.050) 12.485 3.830 ( -3.846 -3.407 -1.079) 5.251 3.903 ( -12.777 -1.967 1.468) 13.011 4.046 ( 1.860 3.755 4.821) 6.388 4.312 ( 1.814 1.744 4.012) 4.736 4.452 ( 5.892 -0.563 9.683) 11.348 4.698 ( -1.637 3.053 3.538) 4.951 4.779 ( 1.846 -5.178 -2.893) 6.211 5.006 ( -8.782 -8.887 -11.888) 17.246 5.289 ( 5.090 4.835 2.139) 7.339 5.872 ( -3.361 -2.180 -4.805) 6.256 5.983 ( -5.479 -3.121 2.970) 6.970 6.288 ( -1.075 -4.203 -1.051) 4.464 6.415 ( -3.013 0.141 -1.392) 3.322 6.865 ( 4.775 0.958 -2.095) 5.302 6.991 ( -0.348 -4.613 2.899) 5.460 11.773 ( 1.246 0.761 0.243) 1.480 12.044 ( -6.163 0.160 1.753) 6.410 12.782 ( 1.557 4.551 0.254) 4.817 12.991 ( 0.626 -3.567 -0.246) 3.630 15.542 ( 0.509 -2.979 0.610) 3.083 15.607 ( -0.477 -1.965 -1.215) 2.359 16.411 ( 0.581 2.688 0.297) 2.766 16.678 ( 3.358 3.367 -0.515) 4.783 16.823 ( -0.577 -1.223 0.284) 1.382 17.300 ( 0.090 -1.730 -1.187) 2.100 27.376 ( -0.987 -0.700 0.613) 1.356 27.536 ( 1.482 0.540 -1.118) 1.933 29.183 ( 1.691 1.973 -0.107) 2.601 29.332 ( -2.038 -1.402 0.268) 2.488 30.187 ( -1.763 10.851 3.711) 11.603 30.392 ( 11.651 1.759 -3.445) 12.277 31.016 ( -5.250 2.979 -4.733) 7.671 31.561 ( -7.287 -17.456 5.947) 19.829 ======================= Grid point 177 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -5.924 5.409 0.591) 8.043 2.944 ( 7.214 0.419 -1.495) 7.380 3.278 ( -0.966 1.198 1.033) 1.853 3.307 ( -1.519 1.052 -0.807) 2.016 3.469 ( 2.848 9.638 1.652) 10.185 3.542 ( -12.391 4.664 -5.158) 14.209 3.711 ( -3.504 -6.247 2.496) 7.585 3.717 ( 4.090 -0.358 1.414) 4.343 4.139 ( 2.077 3.298 1.019) 4.029 4.311 ( -2.266 -7.939 7.687) 11.281 4.431 ( -9.016 6.361 -2.608) 11.338 4.606 ( -8.609 -9.769 -8.026) 15.296 4.798 ( 5.767 -0.313 2.985) 6.501 4.944 ( 8.372 0.960 1.297) 8.526 5.460 ( 9.218 2.953 -1.254) 9.760 5.801 ( -0.336 -1.832 -3.832) 4.261 5.918 ( 0.255 -0.941 5.539) 5.624 6.250 ( 0.023 -1.845 -3.055) 3.569 6.379 ( -2.834 1.821 3.028) 4.529 6.911 ( 2.384 -0.946 -5.067) 5.679 6.982 ( 0.481 0.101 2.764) 2.808 11.799 ( -0.416 3.002 -0.810) 3.137 11.952 ( -3.347 -4.101 2.944) 6.057 12.826 ( -3.248 5.121 0.601) 6.094 12.979 ( 4.251 -4.927 -1.010) 6.586 15.539 ( 1.142 -0.970 0.028) 1.499 15.591 ( 0.859 -0.260 -1.062) 1.390 16.426 ( -1.671 1.391 0.317) 2.197 16.729 ( -1.804 3.568 -0.510) 4.030 16.803 ( 1.295 -2.309 0.179) 2.654 17.309 ( 2.596 -0.562 -0.820) 2.780 27.358 ( -0.618 -0.452 0.258) 0.808 27.563 ( 1.382 0.623 -0.599) 1.630 29.219 ( -1.047 3.421 -0.210) 3.584 29.291 ( 0.482 -3.612 0.399) 3.666 30.211 ( -6.579 5.482 2.578) 8.944 30.598 ( 11.057 0.333 -5.231) 12.236 30.956 ( -3.214 3.616 3.293) 5.852 31.347 ( -2.832 -10.393 0.359) 10.778 ======================= Grid point 178 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -11.087 0.297 0.976) 11.134 3.026 ( 1.628 -1.037 -2.081) 2.838 3.124 ( -20.524 -0.108 1.672) 20.592 3.230 ( -16.186 0.526 -0.325) 16.198 3.254 ( -3.885 -0.012 -2.607) 4.679 3.490 ( -12.005 1.203 10.708) 16.132 3.725 ( 6.539 4.826 -1.887) 8.343 3.866 ( 7.777 -3.382 -2.271) 8.779 4.140 ( 1.211 -1.404 -1.617) 2.460 4.180 ( -4.770 -9.370 -1.351) 10.601 4.372 ( -0.692 5.994 -1.527) 6.224 4.448 ( -3.869 1.357 -1.110) 4.248 4.925 ( 6.025 1.298 4.303) 7.517 5.065 ( 3.276 0.283 3.736) 4.977 5.527 ( -1.027 -1.565 -8.105) 8.319 5.803 ( 3.087 -0.587 -1.095) 3.328 6.093 ( 13.796 -1.188 5.517) 14.906 6.230 ( 5.575 -0.985 -4.776) 7.407 6.382 ( -1.266 2.037 6.391) 6.826 6.904 ( 0.917 -0.429 -5.391) 5.486 7.010 ( -0.007 1.844 1.311) 2.263 11.797 ( -2.876 2.883 -1.783) 4.445 11.892 ( 0.382 -5.813 4.051) 7.095 12.780 ( -3.942 -0.475 -0.051) 3.971 13.025 ( 2.796 0.964 -0.760) 3.054 15.564 ( 2.355 0.708 -0.520) 2.513 15.623 ( 2.634 0.982 -0.298) 2.827 16.380 ( -4.199 -0.580 0.768) 4.308 16.709 ( -2.071 1.119 -0.712) 2.459 16.802 ( -1.126 -0.101 0.546) 1.255 17.364 ( 4.202 0.821 -1.053) 4.409 27.351 ( 0.035 -0.124 0.320) 0.345 27.585 ( 0.826 0.500 -0.686) 1.185 29.199 ( -2.438 0.119 -0.422) 2.477 29.296 ( 1.456 -0.374 0.796) 1.701 30.091 ( -11.006 -1.116 1.710) 11.194 30.653 ( 2.980 -2.385 -12.315) 12.893 31.064 ( 4.115 2.767 14.179) 15.021 31.288 ( 4.260 -0.475 -2.706) 5.069 ======================= Grid point 179 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -14.769 -1.804 1.519) 14.956 2.699 ( -25.380 -0.084 3.806) 25.664 2.905 ( -23.458 2.322 0.762) 23.585 2.994 ( -7.626 0.504 0.098) 7.643 3.176 ( -6.600 2.517 -0.941) 7.126 3.314 ( -12.502 -0.369 9.610) 15.773 3.859 ( 3.226 -5.944 -6.826) 9.609 3.885 ( 5.899 0.884 0.170) 5.968 4.046 ( -0.186 -1.391 -5.775) 5.943 4.247 ( 6.233 4.443 2.070) 7.929 4.361 ( -6.333 6.401 -2.635) 9.382 4.479 ( 4.196 -0.783 2.487) 4.940 5.034 ( 1.554 0.574 2.964) 3.396 5.123 ( 3.590 -0.576 3.281) 4.897 5.395 ( -3.895 -4.001 -10.112) 11.551 5.861 ( 4.261 -0.777 1.000) 4.445 6.124 ( 0.040 -2.991 -2.714) 4.039 6.370 ( 1.820 -0.905 2.440) 3.176 6.616 ( 25.017 -1.452 2.800) 25.215 6.891 ( -0.369 1.861 -2.912) 3.475 7.028 ( -0.082 2.028 0.133) 2.034 11.750 ( -1.755 -2.592 -0.365) 3.152 11.880 ( -0.035 -1.525 2.764) 3.157 12.707 ( -2.429 -2.490 -0.381) 3.499 13.061 ( -1.309 3.969 -0.590) 4.221 15.630 ( 4.252 1.425 -0.103) 4.486 15.687 ( 3.334 1.236 0.099) 3.558 16.298 ( -3.960 -1.904 0.619) 4.438 16.665 ( -4.034 0.420 -1.674) 4.388 16.780 ( -2.403 1.674 2.809) 4.057 17.448 ( 4.908 1.286 -1.937) 5.431 27.358 ( 0.569 -0.020 0.467) 0.736 27.594 ( 0.237 0.406 -1.029) 1.131 29.155 ( -1.568 -1.557 -0.410) 2.247 29.325 ( 0.391 2.370 0.842) 2.545 29.863 ( -11.944 -5.171 0.760) 13.037 30.602 ( 0.249 -0.983 -12.899) 12.939 31.145 ( 0.894 -0.419 2.486) 2.675 31.495 ( 12.976 3.685 11.071) 17.450 ======================= Grid point 185 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.000 10.970 -1.471) 11.068 2.558 ( 0.000 14.485 7.106) 16.135 2.754 ( 0.000 19.785 5.818) 20.622 2.969 ( -0.000 2.442 -6.688) 7.120 3.162 ( -0.000 17.599 0.363) 17.602 3.385 ( -0.000 1.823 -13.061) 13.187 3.806 ( -0.000 6.676 -8.073) 10.476 3.862 ( 0.000 9.223 21.236) 23.152 3.918 ( 0.000 -5.728 0.678) 5.768 4.267 ( 0.000 -2.282 0.583) 2.356 4.500 ( 0.000 -5.525 6.329) 8.402 4.578 ( 0.000 8.217 2.211) 8.509 4.948 ( -0.000 -6.490 -3.193) 7.233 5.130 ( -0.000 5.706 -1.758) 5.971 5.378 ( -0.000 -1.117 -2.805) 3.019 6.083 ( -0.000 0.923 -3.448) 3.569 6.281 ( 0.000 -4.293 3.804) 5.736 6.299 ( -0.000 -1.539 -8.027) 8.173 6.548 ( -0.000 -11.566 -7.949) 14.034 6.732 ( -0.000 2.367 0.050) 2.368 7.057 ( 0.000 -14.717 7.542) 16.537 11.711 ( 0.000 -1.758 0.785) 1.925 12.268 ( -0.000 5.147 -0.993) 5.242 12.635 ( -0.000 -0.526 -0.241) 0.578 13.040 ( 0.000 4.069 1.485) 4.332 15.582 ( 0.000 -3.092 0.025) 3.092 15.626 ( 0.000 -5.748 1.454) 5.929 16.377 ( -0.000 1.668 -0.163) 1.676 16.459 ( -0.000 2.441 -1.159) 2.702 16.784 ( 0.000 1.747 3.628) 4.027 17.416 ( -0.000 -2.808 -2.279) 3.616 27.408 ( 0.000 -0.377 1.788) 1.827 27.504 ( -0.000 -0.448 -2.522) 2.561 29.079 ( -0.000 0.068 -0.593) 0.597 29.490 ( 0.000 1.112 0.663) 1.294 29.837 ( 0.000 8.587 2.692) 8.999 30.197 ( -0.000 7.795 -6.748) 10.310 31.166 ( -0.000 2.965 -5.668) 6.396 32.015 ( 0.000 -22.748 11.612) 25.541 ======================= Grid point 186 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 7.927 8.207 -0.534) 11.423 2.753 ( 5.864 6.115 3.913) 9.332 2.938 ( 0.126 12.578 0.222) 12.580 3.040 ( 4.498 10.171 2.066) 11.312 3.302 ( -0.609 11.344 0.133) 11.361 3.341 ( 0.095 0.503 -8.730) 8.745 3.852 ( 3.686 2.979 -5.889) 7.559 3.943 ( 6.168 -1.831 0.203) 6.437 4.019 ( 1.499 4.100 8.973) 9.979 4.209 ( -4.034 -2.338 1.011) 4.771 4.428 ( -3.794 -2.491 8.719) 9.830 4.698 ( 3.526 -0.642 0.788) 3.670 4.870 ( -3.294 1.466 0.573) 3.651 5.181 ( 0.798 4.611 -2.475) 5.294 5.303 ( -4.847 -3.192 -3.978) 7.036 6.036 ( -4.699 0.672 -5.710) 7.425 6.167 ( -4.979 -2.728 2.568) 6.231 6.304 ( 1.121 -4.632 -6.075) 7.721 6.423 ( 2.688 -7.977 -4.178) 9.398 6.767 ( 0.201 3.659 1.596) 3.997 6.976 ( 0.692 -9.645 6.297) 11.540 11.710 ( 1.417 -1.273 0.363) 1.939 12.263 ( -4.575 3.366 -2.060) 6.042 12.657 ( 3.081 -0.014 -0.211) 3.088 13.061 ( -2.245 2.220 1.674) 3.573 15.546 ( -0.759 -3.294 1.270) 3.612 15.599 ( 1.245 -3.276 0.432) 3.531 16.388 ( 0.085 1.755 -0.305) 1.783 16.511 ( 3.884 1.388 -0.507) 4.156 16.821 ( 0.774 1.230 2.015) 2.485 17.366 ( -2.259 -1.537 -1.207) 2.987 27.406 ( -0.557 -0.694 1.045) 1.372 27.498 ( 0.606 0.319 -1.381) 1.542 29.096 ( 2.028 0.199 -0.258) 2.054 29.460 ( -4.112 0.895 0.213) 4.214 29.985 ( 7.932 5.338 -0.357) 9.568 30.253 ( 0.023 6.730 -0.664) 6.763 31.157 ( -2.307 5.541 -7.463) 9.577 31.805 ( -5.038 -20.611 9.237) 23.141 ======================= Grid point 187 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 11.327 4.449 0.176) 12.171 2.857 ( 1.449 2.240 0.310) 2.685 3.099 ( 7.078 4.967 2.994) 9.150 3.248 ( 6.461 8.718 1.919) 11.020 3.326 ( -0.779 2.890 -1.747) 3.465 3.387 ( 3.645 3.687 -3.013) 5.996 3.866 ( -2.531 -1.470 -2.332) 3.742 4.015 ( 0.953 1.963 -5.350) 5.778 4.095 ( -6.178 -2.224 3.231) 7.318 4.164 ( 13.825 -0.266 -0.496) 13.836 4.425 ( -1.504 -5.269 10.993) 12.283 4.663 ( 0.466 -2.605 -0.568) 2.707 4.893 ( -2.455 4.864 0.544) 5.475 5.062 ( -12.320 -2.365 -7.364) 14.547 5.278 ( 2.332 3.039 3.862) 5.440 5.913 ( -5.865 0.286 -6.142) 8.498 6.070 ( -5.545 -2.395 3.658) 7.061 6.238 ( 0.289 -3.270 -3.651) 4.910 6.426 ( 1.750 -0.079 -1.680) 2.427 6.814 ( 1.567 1.401 0.229) 2.115 6.951 ( 1.642 -4.505 4.305) 6.443 11.736 ( 2.552 -0.611 0.219) 2.633 12.170 ( -7.235 0.869 -2.273) 7.633 12.733 ( 5.473 0.755 -0.222) 5.530 13.023 ( -4.253 0.114 1.416) 4.484 15.517 ( -0.079 -2.117 1.615) 2.665 15.592 ( 0.218 -1.060 -0.401) 1.154 16.413 ( 1.144 1.162 -0.383) 1.676 16.606 ( 5.885 0.862 0.283) 5.954 16.840 ( -0.465 0.299 0.410) 0.689 17.310 ( -2.496 -0.322 -0.119) 2.520 27.387 ( -0.899 -0.787 0.030) 1.195 27.517 ( 1.134 0.852 -0.015) 1.418 29.144 ( 3.283 0.374 0.093) 3.306 29.389 ( -4.559 0.106 -0.384) 4.577 30.182 ( 11.717 1.422 -3.697) 12.369 30.317 ( -0.846 5.685 5.255) 7.788 31.131 ( -4.435 8.458 -8.143) 12.550 31.544 ( -7.478 -17.515 6.642) 20.170 ======================= Grid point 188 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 9.458 -2.248 -0.999) 9.773 2.880 ( -2.125 4.524 2.463) 5.572 3.254 ( 6.820 -1.076 2.630) 7.389 3.307 ( -0.125 -0.611 -1.532) 1.654 3.459 ( 8.775 -3.774 1.251) 9.633 3.491 ( 5.980 7.511 -0.619) 9.620 3.767 ( -8.008 2.167 -2.647) 8.708 3.858 ( -8.363 -2.932 -2.245) 9.142 4.125 ( 2.323 1.967 -0.601) 3.102 4.289 ( -4.700 -14.194 5.619) 15.973 4.415 ( 13.376 0.640 -1.749) 13.505 4.659 ( -9.622 -9.838 -14.839) 20.238 4.764 ( 1.670 5.420 8.798) 10.468 4.965 ( -5.081 10.708 2.735) 12.164 5.368 ( 3.492 0.428 4.157) 5.446 5.809 ( -3.801 0.729 -4.816) 6.178 5.990 ( -4.787 1.431 4.338) 6.617 6.207 ( 0.334 -1.687 -4.079) 4.427 6.441 ( -0.793 1.439 1.374) 2.142 6.845 ( 2.216 -0.512 -2.206) 3.168 6.978 ( 1.719 -0.019 3.005) 3.462 11.782 ( 2.962 -0.045 0.384) 2.987 12.028 ( -7.525 -1.716 -1.949) 7.960 12.843 ( 6.577 -0.462 -0.461) 6.610 12.944 ( -5.234 0.672 1.122) 5.395 15.519 ( 0.750 -0.217 1.121) 1.366 15.586 ( -0.216 0.699 -0.547) 0.913 16.437 ( 0.966 -0.131 -0.285) 1.015 16.715 ( 5.536 -0.067 0.387) 5.550 16.809 ( -3.052 0.112 -0.173) 3.059 17.289 ( -0.202 0.978 0.465) 1.101 27.366 ( -0.752 -0.453 -0.229) 0.907 27.547 ( 1.213 0.858 0.412) 1.542 29.208 ( 3.477 0.139 0.403) 3.503 29.310 ( -4.082 -0.340 -0.716) 4.158 30.297 ( 2.502 -3.886 -1.099) 4.751 30.423 ( 6.120 3.950 2.613) 7.738 31.102 ( -5.967 9.451 -3.217) 11.630 31.310 ( -4.473 -10.616 1.376) 11.602 ======================= Grid point 189 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -4.388 -5.981 0.232) 7.422 2.966 ( 3.830 2.752 0.256) 4.723 3.256 ( -1.665 -3.136 -0.278) 3.561 3.344 ( -0.113 1.498 0.864) 1.733 3.430 ( -4.235 -12.309 -0.128) 13.018 3.584 ( -5.167 -0.748 -0.100) 5.222 3.705 ( 5.854 10.609 0.226) 12.119 3.809 ( -3.017 -1.116 3.681) 4.888 4.048 ( -1.887 -9.483 -5.643) 11.195 4.150 ( -3.072 -7.264 0.826) 7.931 4.398 ( -1.786 -0.052 -3.736) 4.141 4.577 ( 0.574 4.880 -2.152) 5.364 4.902 ( 3.080 5.408 5.582) 8.360 5.041 ( 2.252 5.516 1.911) 6.257 5.426 ( 3.520 -4.140 -1.652) 5.680 5.763 ( -0.284 1.055 -2.273) 2.522 5.997 ( 0.754 3.935 5.691) 6.960 6.169 ( -0.322 -2.017 -4.657) 5.085 6.439 ( -1.497 0.428 2.621) 3.049 6.864 ( 1.474 0.529 -2.767) 3.180 7.023 ( 1.292 1.561 1.509) 2.526 11.833 ( 2.650 -0.878 1.441) 3.142 11.878 ( -6.021 -2.533 -1.986) 6.827 12.817 ( -3.040 -5.276 -0.071) 6.090 12.994 ( 3.800 5.784 0.133) 6.922 15.544 ( 1.180 1.313 0.260) 1.784 15.604 ( 1.131 1.937 -0.071) 2.244 16.424 ( -1.631 -2.159 0.027) 2.706 16.737 ( -0.999 -2.050 0.067) 2.281 16.801 ( 0.890 1.716 0.017) 1.933 17.325 ( 2.114 2.454 0.235) 3.247 27.353 ( -0.283 -0.069 -0.049) 0.295 27.574 ( 0.880 0.676 0.147) 1.119 29.221 ( -1.502 -3.348 0.042) 3.670 29.285 ( 1.110 3.106 -0.111) 3.301 30.205 ( -5.885 -8.264 0.962) 10.191 30.537 ( 4.083 0.040 -3.404) 5.316 31.113 ( -0.901 1.746 9.772) 9.968 31.237 ( 1.389 5.163 -7.605) 9.296 ======================= Grid point 190 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -8.876 -6.725 0.436) 11.144 3.002 ( -3.940 1.562 -0.755) 4.305 3.142 ( -13.763 -0.650 1.025) 13.817 3.178 ( -4.476 -3.724 -0.626) 5.856 3.308 ( -12.380 4.478 1.973) 13.312 3.546 ( -2.010 -4.189 8.552) 9.733 3.637 ( 1.139 -13.653 -3.968) 14.264 3.856 ( -2.081 -2.269 -2.600) 4.030 3.976 ( 6.244 5.749 -4.552) 9.631 4.184 ( 6.275 4.566 0.507) 7.776 4.433 ( 1.547 2.524 0.171) 2.965 4.565 ( -5.681 4.379 2.019) 7.451 5.029 ( 3.386 4.729 3.496) 6.786 5.114 ( 0.193 1.321 3.662) 3.898 5.345 ( -2.816 -7.048 -10.016) 12.567 5.796 ( 3.146 0.360 -0.439) 3.197 6.101 ( -0.630 -2.249 1.580) 2.820 6.185 ( 12.432 1.322 -1.706) 12.618 6.434 ( 0.863 -1.792 2.730) 3.378 6.884 ( 1.094 1.625 -1.291) 2.346 7.058 ( 0.017 2.192 0.098) 2.194 11.750 ( -3.122 -5.485 -0.055) 6.312 11.879 ( 1.051 1.430 0.848) 1.967 12.717 ( -2.772 -4.200 -0.186) 5.036 13.102 ( 1.901 5.583 -0.179) 5.901 15.589 ( 2.326 1.755 0.006) 2.914 15.656 ( 2.276 2.244 0.085) 3.197 16.343 ( -3.831 -3.750 0.291) 5.369 16.711 ( -1.497 0.216 -0.591) 1.623 16.814 ( -0.131 0.109 0.985) 1.000 17.398 ( 2.924 3.166 -0.761) 4.376 27.354 ( 0.208 0.087 0.243) 0.331 27.590 ( 0.345 0.529 -0.462) 0.783 29.161 ( -1.714 -2.564 -0.146) 3.087 29.341 ( 1.478 3.398 0.340) 3.721 29.977 ( -9.496 -10.091 0.267) 13.859 30.549 ( 0.425 -0.030 -4.544) 4.564 31.140 ( 0.273 -0.072 0.640) 0.699 31.395 ( 8.715 7.351 4.097) 12.115 ======================= Grid point 197 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -0.000 4.457 -0.300) 4.467 2.767 ( 0.000 2.284 4.917) 5.422 3.040 ( -0.000 5.689 -0.513) 5.712 3.109 ( -0.000 11.997 0.806) 12.024 3.291 ( -0.000 -2.084 -4.178) 4.668 3.421 ( 0.000 6.684 2.812) 7.252 3.764 ( 0.000 -3.202 -0.393) 3.226 3.907 ( -0.000 4.685 -5.554) 7.266 4.040 ( -0.000 -4.006 -5.261) 6.612 4.248 ( 0.000 0.851 6.603) 6.658 4.449 ( 0.000 -5.014 5.399) 7.368 4.668 ( 0.000 -1.406 1.073) 1.769 4.923 ( -0.000 2.660 0.664) 2.742 5.204 ( -0.000 2.937 -1.176) 3.164 5.320 ( -0.000 0.615 -1.448) 1.573 6.085 ( -0.000 2.329 -3.299) 4.038 6.194 ( -0.000 0.047 -9.531) 9.531 6.235 ( 0.000 -3.759 3.534) 5.160 6.300 ( -0.000 -4.080 -3.553) 5.410 6.810 ( 0.000 2.601 3.036) 3.998 6.912 ( 0.000 -7.680 6.183) 9.859 11.686 ( -0.000 -0.914 -0.254) 0.949 12.315 ( -0.000 2.032 -4.523) 4.958 12.626 ( -0.000 -0.129 -0.118) 0.175 13.110 ( 0.000 1.082 2.496) 2.720 15.545 ( 0.000 -1.143 1.158) 1.627 15.554 ( 0.000 -2.743 1.660) 3.206 16.394 ( -0.000 0.644 -1.152) 1.320 16.492 ( 0.000 1.324 0.572) 1.443 16.827 ( 0.000 -0.059 1.296) 1.298 17.376 ( -0.000 -0.180 -0.077) 0.196 27.404 ( 0.000 -0.952 -0.187) 0.970 27.496 ( 0.000 0.947 0.355) 1.012 29.078 ( -0.000 0.210 -0.027) 0.211 29.507 ( -0.000 0.210 -0.002) 0.210 29.933 ( -0.000 2.127 -4.625) 5.091 30.326 ( 0.000 5.087 5.991) 7.860 31.205 ( -0.000 8.537 -10.011) 13.157 31.700 ( 0.000 -17.743 7.720) 19.349 ======================= Grid point 198 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 7.989 0.020 -0.149) 7.990 2.836 ( 3.972 -0.035 5.368) 6.678 3.071 ( 0.601 0.655 0.171) 0.905 3.184 ( 3.050 -4.599 -1.815) 5.809 3.317 ( 3.606 5.243 -0.266) 6.369 3.444 ( -3.327 2.115 3.403) 5.208 3.809 ( 3.977 -2.040 -2.352) 5.051 3.953 ( 5.888 -4.748 -6.893) 10.234 3.961 ( 3.627 2.645 -7.405) 8.659 4.211 ( -7.503 -1.095 3.642) 8.411 4.430 ( -1.047 -6.392 7.024) 9.555 4.668 ( 0.982 1.415 0.408) 1.770 4.907 ( -2.328 -2.840 -1.759) 4.072 5.201 ( -2.908 2.094 -2.730) 4.505 5.331 ( -1.529 4.648 5.192) 7.135 6.014 ( -7.115 2.500 -5.535) 9.355 6.153 ( -3.295 2.466 1.058) 4.249 6.211 ( -0.522 0.365 -1.464) 1.597 6.344 ( 5.966 1.051 -4.376) 7.473 6.828 ( -0.949 -0.878 3.513) 3.744 6.903 ( 1.980 -2.301 4.973) 5.826 11.692 ( 1.697 -0.381 -0.534) 1.819 12.261 ( -4.586 0.058 -5.532) 7.186 12.656 ( 3.451 0.119 -0.144) 3.456 13.098 ( -2.981 -0.486 2.608) 3.990 15.522 ( -1.018 -0.599 2.147) 2.450 15.574 ( 1.412 0.065 0.765) 1.607 16.396 ( 0.696 -0.076 -1.388) 1.554 16.536 ( 3.363 0.661 1.474) 3.731 16.832 ( 0.830 -1.249 0.124) 1.505 17.361 ( -2.341 1.014 0.965) 2.727 27.389 ( -0.432 -0.780 -0.879) 1.252 27.516 ( 0.484 1.159 1.452) 1.920 29.100 ( 2.112 0.240 0.254) 2.140 29.463 ( -4.217 -0.321 -0.685) 4.284 29.989 ( 8.077 -1.046 -5.776) 9.984 30.400 ( -0.159 2.545 9.886) 10.210 31.233 ( -1.602 10.635 -11.943) 16.072 31.533 ( -5.423 -13.082 6.108) 15.423 ======================= Grid point 199 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 10.599 -4.640 -0.381) 11.577 2.941 ( 2.927 2.208 5.593) 6.687 3.087 ( 6.110 -7.670 1.488) 9.919 3.170 ( 6.547 -12.291 -1.108) 13.970 3.360 ( -0.683 -5.376 -2.163) 5.835 3.494 ( 3.764 8.457 3.663) 9.955 3.744 ( 2.345 -7.399 -11.596) 13.954 3.992 ( -7.145 4.854 -6.070) 10.558 4.094 ( 4.468 -2.370 4.307) 6.643 4.125 ( 9.237 -1.219 -1.842) 9.497 4.328 ( -4.706 -7.364 8.652) 12.298 4.629 ( -4.195 -6.160 -11.029) 13.312 4.871 ( -1.645 6.637 7.213) 9.940 5.145 ( -4.510 3.553 -3.557) 6.754 5.384 ( -0.106 0.862 8.049) 8.096 5.893 ( -6.524 2.718 -5.156) 8.749 6.136 ( -3.986 2.869 7.173) 8.693 6.206 ( -3.236 7.215 -5.290) 9.513 6.429 ( 3.743 2.334 -4.491) 6.295 6.820 ( -0.042 -1.192 3.687) 3.875 6.954 ( 2.543 0.241 2.761) 3.762 11.729 ( 2.934 -0.104 -0.226) 2.944 12.123 ( -7.198 -1.944 -5.284) 9.139 12.733 ( 5.309 -0.518 -0.202) 5.338 13.037 ( -4.240 -0.553 2.129) 4.777 15.525 ( -0.147 1.175 1.938) 2.272 15.599 ( 0.205 1.763 0.227) 1.789 16.401 ( 1.391 -1.621 -1.243) 2.471 16.623 ( 5.217 0.024 1.556) 5.444 16.826 ( 0.205 -1.709 -0.596) 1.821 17.337 ( -2.637 2.291 1.694) 3.883 27.370 ( -0.549 -0.346 -0.861) 1.078 27.545 ( 0.695 1.016 1.603) 2.021 29.150 ( 3.236 -0.050 0.463) 3.269 29.375 ( -4.524 -0.726 -1.232) 4.745 30.096 ( 9.718 -5.178 -4.856) 12.035 30.460 ( -0.161 0.594 10.845) 10.863 31.251 ( -1.252 8.187 -11.720) 14.351 31.339 ( -9.075 -3.574 3.920) 10.511 ======================= Grid point 200 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 5.885 -9.322 -1.007) 11.070 2.981 ( -0.750 0.170 4.193) 4.263 3.153 ( 8.935 -14.880 -2.522) 17.539 3.191 ( 12.268 -8.865 2.817) 15.396 3.264 ( -1.039 -7.644 -1.491) 7.857 3.664 ( 3.068 -9.051 -6.609) 11.619 3.692 ( 7.697 8.016 -3.934) 11.789 3.834 ( -11.264 2.434 1.648) 11.641 4.097 ( -8.527 -8.604 7.419) 14.205 4.145 ( 0.552 1.493 -0.954) 1.856 4.370 ( 6.470 -1.923 -0.456) 6.765 4.483 ( 1.939 1.205 -6.570) 6.955 4.958 ( -0.105 6.866 2.025) 7.159 5.106 ( -1.853 3.558 -3.012) 5.017 5.399 ( -1.408 -3.719 9.421) 10.226 5.813 ( -3.857 3.023 -2.742) 5.616 6.135 ( -1.754 -0.656 6.452) 6.718 6.183 ( -7.620 12.590 -4.824) 15.487 6.462 ( -0.145 1.850 -3.622) 4.070 6.844 ( 1.275 0.725 2.207) 2.650 7.010 ( 2.307 0.804 1.194) 2.719 11.779 ( 2.846 -1.019 0.897) 3.154 11.952 ( -6.791 -2.467 -4.438) 8.480 12.779 ( 1.349 -4.076 0.067) 4.294 13.011 ( 0.395 3.223 1.060) 3.416 15.553 ( 0.315 2.639 0.995) 2.838 15.621 ( -0.164 2.860 0.089) 2.866 16.393 ( 0.996 -3.716 -0.943) 3.961 16.698 ( 2.932 -1.617 0.872) 3.461 16.810 ( 0.120 -0.252 -0.614) 0.675 17.345 ( -0.554 3.571 1.697) 3.992 27.357 ( -0.368 0.057 -0.581) 0.690 27.571 ( 0.619 0.761 1.195) 1.546 29.192 ( 1.474 -1.909 0.531) 2.470 29.310 ( -1.541 1.021 -1.137) 2.170 30.119 ( 3.251 -11.146 -2.181) 11.814 30.512 ( 0.739 0.255 7.776) 7.815 31.175 ( -3.221 -4.136 2.407) 5.769 31.306 ( -2.972 14.995 -9.453) 17.974 ======================= Grid point 209 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 -4.131 -0.384) 4.149 2.782 ( 0.000 -7.965 5.611) 9.743 3.057 ( 0.000 -13.691 -1.882) 13.820 3.080 ( 0.000 0.156 1.924) 1.930 3.304 ( -0.000 -0.801 -2.439) 2.567 3.506 ( 0.000 0.140 0.337) 0.365 3.749 ( -0.000 -10.879 -10.615) 15.199 3.796 ( 0.000 4.899 3.160) 5.830 3.934 ( -0.000 2.888 -5.023) 5.794 4.307 ( 0.000 -1.926 5.034) 5.390 4.409 ( 0.000 -2.938 3.074) 4.252 4.631 ( -0.000 -3.239 -3.539) 4.798 4.938 ( 0.000 2.852 4.101) 4.995 5.214 ( -0.000 -1.248 -0.709) 1.436 5.391 ( 0.000 1.679 0.444) 1.736 6.110 ( -0.000 3.189 -2.985) 4.368 6.206 ( 0.000 -2.147 3.086) 3.760 6.236 ( -0.000 5.682 -9.462) 11.037 6.302 ( -0.000 13.329 -0.209) 13.331 6.843 ( 0.000 -2.205 6.606) 6.964 6.898 ( 0.000 0.169 3.641) 3.645 11.673 ( -0.000 0.221 -1.123) 1.145 12.265 ( -0.000 -1.231 -7.509) 7.609 12.628 ( -0.000 0.349 -0.013) 0.349 13.124 ( 0.000 -2.413 3.097) 3.926 15.556 ( 0.000 1.366 1.727) 2.203 15.560 ( 0.000 1.060 2.175) 2.419 16.381 ( -0.000 -0.444 -2.049) 2.097 16.520 ( 0.000 -0.091 2.680) 2.681 16.800 ( 0.000 -2.999 -0.654) 3.069 17.404 ( 0.000 2.129 1.839) 2.813 27.381 ( -0.000 -0.461 -1.181) 1.267 27.533 ( 0.000 1.153 2.175) 2.462 29.086 ( 0.000 0.329 0.465) 0.569 29.498 ( -0.000 -0.810 -0.577) 0.995 29.861 ( -0.000 -3.578 -6.746) 7.636 30.466 ( 0.000 -0.112 13.123) 13.124 31.274 ( -0.000 5.902 -11.417) 12.852 31.524 ( 0.000 -2.015 1.528) 2.529 ======================= Grid point 210 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 7.927 -8.012 -0.693) 11.292 2.761 ( 8.293 -14.288 3.965) 16.989 2.909 ( 3.993 -20.761 -2.141) 21.250 3.072 ( -3.160 0.285 3.455) 4.691 3.261 ( 2.050 -9.518 -4.017) 10.533 3.462 ( 4.151 -5.750 -17.055) 18.471 3.641 ( -2.977 -1.144 7.598) 8.240 3.940 ( 7.336 2.217 2.876) 8.186 3.987 ( 5.472 3.169 -2.374) 6.754 4.221 ( -8.457 -0.458 2.597) 8.859 4.374 ( -3.014 -4.020 4.661) 6.854 4.585 ( -0.660 -2.799 -5.759) 6.437 4.997 ( -1.421 7.184 5.872) 9.387 5.176 ( -1.358 -2.233 -2.270) 3.462 5.398 ( 1.012 -1.621 1.467) 2.409 6.025 ( -7.961 3.576 -5.513) 10.323 6.185 ( -1.404 -1.693 4.561) 5.064 6.325 ( 6.398 2.003 -7.312) 9.920 6.457 ( -4.045 23.444 -0.464) 23.795 6.850 ( -1.293 -1.143 7.687) 7.878 6.930 ( 1.803 0.566 2.068) 2.802 11.687 ( 1.776 0.639 -1.079) 2.174 12.171 ( -4.401 -2.694 -7.677) 9.250 12.659 ( 3.027 0.279 -0.028) 3.040 13.085 ( -2.283 -3.476 2.801) 5.014 15.564 ( -1.029 2.641 2.379) 3.700 15.612 ( 1.239 2.733 1.267) 3.257 16.363 ( 0.084 -1.608 -2.109) 2.653 16.559 ( 3.276 -0.688 3.134) 4.585 16.774 ( 1.551 -3.994 -1.369) 4.499 17.420 ( -2.249 3.337 2.411) 4.691 27.371 ( -0.284 -0.010 -1.018) 1.057 27.556 ( 0.254 0.924 2.160) 2.363 29.109 ( 1.915 0.247 0.596) 2.021 29.436 ( -4.541 -1.512 -1.323) 4.965 29.863 ( 7.991 -6.087 -5.378) 11.394 30.518 ( -0.389 -1.732 14.896) 15.001 31.248 ( -0.943 -0.595 -6.614) 6.707 31.506 ( -5.231 9.907 -6.379) 12.892 ======================= Grid point 211 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 9.807 -11.485 -1.278) 15.156 2.771 ( 8.928 -23.877 -3.852) 25.781 2.828 ( 14.115 -17.646 2.567) 22.742 3.022 ( -1.136 -3.857 1.433) 4.269 3.178 ( 2.657 -9.300 -3.676) 10.348 3.385 ( 5.465 -11.933 -12.892) 18.398 3.711 ( 2.362 7.140 8.100) 11.053 4.039 ( -0.503 0.590 -1.711) 1.879 4.067 ( -3.805 -5.796 5.600) 8.913 4.151 ( 4.862 6.201 -0.293) 7.885 4.299 ( -3.032 -1.848 4.009) 5.355 4.511 ( -3.390 1.896 -3.737) 5.390 5.046 ( -2.473 4.618 -0.502) 5.262 5.134 ( -0.944 1.216 -1.541) 2.178 5.407 ( 0.990 -4.303 6.419) 7.791 5.914 ( -6.049 3.611 -4.199) 8.201 6.162 ( -1.992 -1.441 4.190) 4.858 6.381 ( 1.338 1.427 -4.390) 4.806 6.591 ( -8.207 25.020 -2.827) 26.483 6.854 ( -0.071 -1.391 6.524) 6.671 6.982 ( 2.106 1.391 0.752) 2.633 11.730 ( 2.676 0.424 -0.088) 2.711 12.010 ( -6.316 -3.679 -6.326) 9.667 12.714 ( 2.951 -1.262 0.109) 3.211 13.032 ( -0.950 -1.977 1.839) 2.862 15.594 ( -0.517 4.035 1.640) 4.386 15.658 ( -0.083 3.618 0.565) 3.663 16.334 ( 0.534 -3.442 -1.693) 3.873 16.628 ( 4.031 -1.692 2.386) 4.981 16.764 ( 2.526 -3.343 -1.733) 4.534 17.425 ( -2.657 4.535 2.543) 5.839 27.362 ( -0.393 0.354 -0.739) 0.909 27.577 ( 0.338 0.632 1.719) 1.863 29.150 ( 2.223 -0.466 0.614) 2.353 29.342 ( -3.164 -1.227 -1.521) 3.719 29.908 ( 7.282 -9.684 -3.078) 12.501 30.560 ( -0.634 -1.682 14.792) 14.901 31.186 ( -1.927 -1.661 -2.664) 3.684 31.489 ( -5.917 14.897 -11.737) 19.867 ======================= Grid point 221 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -12.545 -1.800) 12.673 2.537 ( 0.000 -18.585 3.562) 18.923 2.620 ( 0.000 -26.907 -5.322) 27.428 3.068 ( -0.000 -17.237 -9.530) 19.696 3.159 ( 0.000 2.954 5.669) 6.392 3.231 ( -0.000 -14.146 -14.216) 20.055 3.739 ( 0.000 2.363 11.300) 11.544 3.912 ( 0.000 0.030 0.557) 0.558 3.959 ( 0.000 4.620 2.492) 5.249 4.293 ( 0.000 -2.569 2.775) 3.782 4.398 ( -0.000 0.646 -0.129) 0.659 4.563 ( -0.000 0.451 -0.016) 0.451 5.108 ( 0.000 7.784 5.080) 9.295 5.143 ( 0.000 -4.890 -1.167) 5.027 5.362 ( -0.000 -2.117 -1.703) 2.717 6.153 ( -0.000 3.581 -2.094) 4.148 6.197 ( -0.000 2.453 -11.553) 11.810 6.212 ( 0.000 0.010 2.648) 2.648 6.723 ( -0.000 18.198 3.522) 18.535 6.904 ( 0.000 4.682 5.774) 7.433 6.939 ( 0.000 3.301 2.143) 3.936 11.675 ( -0.000 1.220 -1.530) 1.957 12.142 ( -0.000 -3.375 -8.683) 9.316 12.638 ( -0.000 0.692 0.008) 0.692 13.071 ( 0.000 -5.669 2.836) 6.339 15.622 ( 0.000 2.799 2.730) 3.910 15.633 ( 0.000 4.582 1.673) 4.878 16.341 ( -0.000 -1.322 -2.599) 2.916 16.533 ( 0.000 -2.203 4.503) 5.013 16.702 ( -0.000 -5.298 -2.251) 5.757 17.489 ( 0.000 4.270 2.675) 5.039 27.371 ( -0.000 0.433 -0.813) 0.922 27.571 ( 0.000 0.652 2.059) 2.160 29.099 ( 0.000 0.378 0.697) 0.793 29.467 ( -0.000 -1.597 -0.843) 1.806 29.688 ( -0.000 -7.734 -5.584) 9.539 30.575 ( 0.000 -2.903 18.067) 18.299 31.221 ( -0.000 -0.693 -5.590) 5.633 31.626 ( -0.000 13.624 -11.805) 18.027 ======================= Grid point 222 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 9.225 -16.600 -2.624) 19.172 2.356 ( 5.819 -28.501 -7.680) 30.086 2.452 ( 9.018 -19.276 3.308) 21.537 2.847 ( 4.058 -22.519 -12.113) 25.890 3.017 ( -0.850 -13.644 -4.967) 14.545 3.238 ( 2.248 -0.652 2.804) 3.653 3.806 ( -0.620 5.572 9.210) 10.782 3.942 ( 4.347 -2.334 0.899) 5.015 4.052 ( 3.057 1.051 3.223) 4.564 4.244 ( -4.073 0.470 1.788) 4.473 4.371 ( -3.769 1.766 -0.020) 4.162 4.575 ( -1.710 3.161 2.039) 4.132 5.073 ( -1.147 -4.452 -1.674) 4.892 5.196 ( -1.209 7.519 1.271) 7.721 5.358 ( 2.182 -2.974 2.790) 4.625 6.043 ( -7.460 3.709 -6.524) 10.581 6.208 ( -1.701 -0.246 4.740) 5.042 6.296 ( 5.842 2.600 -7.773) 10.065 6.810 ( 1.579 -2.460 4.322) 5.218 6.986 ( -1.577 4.758 7.913) 9.367 7.031 ( -5.309 23.913 -3.926) 24.808 11.698 ( 1.829 1.383 -0.973) 2.491 12.029 ( -4.062 -4.158 -7.753) 9.690 12.665 ( 2.087 0.301 0.017) 2.108 13.016 ( -0.554 -5.815 2.224) 6.250 15.658 ( -0.692 4.363 2.341) 5.000 15.697 ( 0.496 4.651 1.229) 4.836 16.301 ( -1.055 -2.418 -2.218) 3.447 16.556 ( 3.196 -3.664 4.260) 6.464 16.663 ( 2.712 -4.588 -2.832) 6.035 17.528 ( -2.070 5.111 2.593) 6.093 27.371 ( -0.318 0.767 -0.565) 1.004 27.586 ( 0.153 0.354 1.610) 1.656 29.119 ( 1.515 0.215 0.652) 1.663 29.382 ( -4.724 -2.588 -1.547) 5.604 29.675 ( 7.710 -8.384 -3.317) 11.863 30.629 ( -0.553 -2.902 20.156) 20.372 31.186 ( -0.959 0.138 -4.679) 4.778 31.662 ( -4.319 14.811 -15.929) 22.176 ======================= Grid point 233 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 -23.000 -3.249) 23.228 1.967 ( -0.000 -31.281 -9.981) 32.835 2.214 ( 0.000 -16.922 3.582) 17.297 2.478 ( -0.000 -30.179 -14.538) 33.498 2.850 ( 0.000 -17.132 -2.281) 17.284 3.252 ( 0.000 1.521 3.668) 3.971 3.883 ( 0.000 -2.503 1.156) 2.757 3.898 ( 0.000 4.473 7.362) 8.614 4.065 ( 0.000 1.474 5.384) 5.582 4.273 ( 0.000 -0.944 0.581) 1.109 4.430 ( -0.000 3.069 -1.588) 3.456 4.647 ( 0.000 4.074 6.265) 7.473 5.019 ( -0.000 -5.685 -1.941) 6.007 5.293 ( -0.000 8.153 -0.360) 8.161 5.327 ( 0.000 -2.146 5.591) 5.989 6.138 ( -0.000 2.907 -12.198) 12.540 6.207 ( -0.000 3.911 -2.724) 4.766 6.252 ( 0.000 1.028 3.785) 3.922 6.753 ( 0.000 -7.713 3.239) 8.366 7.050 ( 0.000 3.733 4.760) 6.049 7.351 ( -0.000 27.657 -1.118) 27.679 11.691 ( -0.000 1.737 -1.346) 2.197 11.988 ( -0.000 -4.160 -7.955) 8.978 12.653 ( -0.000 0.774 -0.055) 0.775 12.963 ( 0.000 -7.365 2.049) 7.644 15.712 ( 0.000 3.639 2.665) 4.510 15.753 ( 0.000 5.909 1.632) 6.131 16.285 ( -0.000 -1.821 -2.629) 3.199 16.491 ( 0.000 -7.492 4.433) 8.705 16.587 ( -0.000 -2.720 -2.369) 3.607 17.609 ( 0.000 5.380 2.223) 5.822 27.381 ( -0.000 1.093 -0.384) 1.158 27.593 ( 0.000 0.084 1.187) 1.190 29.112 ( 0.000 0.355 0.546) 0.652 29.425 ( -0.000 -1.914 -0.667) 2.027 29.478 ( -0.000 -8.921 -3.547) 9.600 30.706 ( 0.000 -3.393 24.714) 24.945 31.178 ( -0.000 1.317 -5.478) 5.634 31.761 ( -0.000 14.465 -20.401) 25.009 ======================= Grid point 270 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.000 -0.000 30.433) 30.433 0.866 ( 0.000 -0.000 30.433) 30.433 1.480 ( -0.000 0.000 -11.328) 11.328 1.480 ( -0.000 0.000 -11.328) 11.328 1.789 ( 0.000 -0.000 61.629) 61.629 3.229 ( -0.000 0.000 -1.148) 1.148 3.488 ( -0.000 0.000 -18.769) 18.769 3.488 ( -0.000 0.000 -18.769) 18.769 4.182 ( 0.000 -0.000 2.288) 2.288 4.182 ( 0.000 -0.000 2.288) 2.288 4.388 ( 0.000 -0.000 6.446) 6.446 4.458 ( 0.000 -0.000 0.859) 0.859 4.942 ( 0.000 -0.000 3.135) 3.135 4.942 ( 0.000 -0.000 3.135) 3.135 5.619 ( -0.000 0.000 -2.206) 2.206 6.198 ( -0.000 0.000 -4.277) 4.277 6.198 ( -0.000 0.000 -4.277) 4.277 6.451 ( 0.000 -0.000 3.483) 3.483 6.451 ( 0.000 -0.000 3.483) 3.483 7.125 ( -0.000 0.000 -5.562) 5.562 8.641 ( -0.000 0.000 -9.311) 9.311 11.783 ( 0.000 -0.000 2.123) 2.123 11.783 ( 0.000 -0.000 2.123) 2.123 12.674 ( -0.000 0.000 -0.333) 0.333 12.674 ( -0.000 0.000 -0.333) 0.333 15.874 ( -0.000 0.000 -1.284) 1.284 15.874 ( -0.000 0.000 -1.284) 1.284 16.188 ( 0.000 -0.000 1.008) 1.008 16.188 ( 0.000 -0.000 1.008) 1.008 17.042 ( 0.000 -0.000 6.740) 6.740 17.792 ( -0.000 0.000 -2.774) 2.774 27.492 ( -0.000 0.000 -0.867) 0.867 27.588 ( -0.000 0.000 -0.520) 0.520 29.100 ( -0.000 0.000 -1.599) 1.599 29.100 ( -0.000 0.000 -1.599) 1.599 29.377 ( 0.000 -0.000 1.763) 1.763 29.377 ( 0.000 -0.000 1.763) 1.763 31.228 ( 0.000 -0.000 1.606) 1.606 33.614 ( 0.000 -0.000 0.173) 0.173 ======================= Grid point 271 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 16.861 9.735 24.320) 31.154 1.216 ( 15.595 9.004 24.349) 30.285 1.509 ( 7.720 4.457 -11.363) 14.442 1.815 ( 20.498 11.835 -12.663) 26.844 2.209 ( 12.479 7.205 50.116) 52.146 3.191 ( -2.099 -1.212 -5.507) 6.017 3.457 ( 4.797 2.770 -14.960) 15.953 3.612 ( 13.097 7.562 -31.949) 35.348 4.202 ( 2.282 1.318 -0.601) 2.703 4.213 ( 0.610 0.352 1.376) 1.545 4.386 ( -3.007 -1.736 6.448) 7.324 4.494 ( 2.664 1.538 1.577) 3.457 4.932 ( -1.792 -1.035 2.297) 3.092 5.043 ( 6.515 3.761 1.557) 7.682 5.558 ( -3.924 -2.266 -2.753) 5.302 6.159 ( -1.360 -0.785 -3.357) 3.706 6.256 ( 4.314 2.491 -3.089) 5.861 6.416 ( -1.978 -1.142 2.805) 3.618 6.477 ( -0.073 -0.042 2.874) 2.876 7.074 ( -2.170 -1.253 -6.097) 6.591 8.412 ( -14.286 -8.248 -4.440) 17.083 11.779 ( -1.103 -0.637 2.180) 2.525 11.825 ( 1.760 1.016 2.579) 3.284 12.666 ( -0.404 -0.233 -0.391) 0.608 12.715 ( 3.623 2.092 -0.178) 4.188 15.864 ( 0.526 0.304 -1.888) 1.984 15.867 ( -0.916 -0.529 -1.198) 1.598 16.182 ( 0.054 0.031 0.900) 0.902 16.251 ( 3.828 2.210 0.511) 4.449 16.945 ( -7.968 -4.600 11.511) 14.736 17.735 ( -3.274 -1.890 -3.657) 5.260 27.455 ( -2.088 -1.206 0.331) 2.434 27.582 ( -0.214 -0.124 -0.859) 0.894 29.088 ( -0.155 -0.090 -1.533) 1.543 29.166 ( 4.357 2.515 -0.268) 5.038 29.398 ( 0.856 0.494 1.703) 1.969 29.655 ( 19.700 11.374 -12.568) 25.989 31.224 ( -1.112 -0.642 1.110) 1.697 33.265 ( -25.109 -14.497 14.985) 32.637 ======================= Grid point 272 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 12.726 7.348 6.010) 15.877 1.735 ( 19.790 11.426 2.339) 22.971 1.748 ( 22.207 12.821 17.716) 31.168 2.209 ( 18.964 10.949 -4.693) 22.395 2.728 ( 14.570 8.412 36.331) 40.037 3.115 ( -1.094 -0.632 -8.743) 8.833 3.527 ( 5.815 3.357 -10.898) 12.801 3.700 ( 8.808 5.086 -27.954) 29.747 4.221 ( -0.196 -0.113 -0.297) 0.374 4.253 ( 1.989 1.148 -2.656) 3.511 4.311 ( -5.483 -3.166 4.932) 8.025 4.589 ( 4.420 2.552 4.013) 6.492 4.883 ( -2.949 -1.703 0.341) 3.422 5.187 ( 5.054 2.918 -0.650) 5.872 5.439 ( -5.244 -3.028 -2.275) 6.469 6.109 ( -1.791 -1.034 -2.448) 3.205 6.236 ( -5.972 -3.448 4.986) 8.510 6.474 ( -1.118 -0.646 2.148) 2.506 6.490 ( 7.792 4.499 -5.305) 10.445 6.973 ( -3.724 -2.150 -7.382) 8.544 8.024 ( -18.545 -10.707 -0.408) 21.417 11.754 ( -1.935 -1.117 2.048) 3.031 11.875 ( 1.455 0.840 3.579) 3.954 12.653 ( -0.571 -0.329 -0.358) 0.750 12.828 ( 6.165 3.559 0.077) 7.119 15.827 ( -1.941 -1.121 -1.433) 2.660 15.859 ( -0.880 -0.508 -0.842) 1.320 16.195 ( 0.595 0.344 1.185) 1.370 16.351 ( 4.875 2.814 -0.825) 5.689 16.869 ( -2.937 -1.696 9.433) 10.024 17.626 ( -4.436 -2.561 -4.722) 6.966 27.417 ( -1.414 -0.816 0.669) 1.765 27.571 ( -0.227 -0.131 -1.546) 1.568 29.081 ( 0.068 0.039 -1.285) 1.287 29.289 ( 6.194 3.576 1.458) 7.299 29.428 ( 1.113 0.643 1.451) 1.939 29.987 ( 15.063 8.697 -15.601) 23.365 31.186 ( -2.306 -1.331 -0.439) 2.698 32.794 ( -23.089 -13.330 19.179) 32.843 ======================= Grid point 273 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 12.581 7.264 -2.458) 14.734 2.240 ( 20.322 11.733 7.827) 24.737 2.313 ( 20.721 11.963 13.843) 27.642 2.624 ( 18.059 10.427 -0.647) 20.863 3.077 ( 1.216 0.702 -7.339) 7.472 3.139 ( 10.568 6.102 14.670) 19.082 3.588 ( 3.119 1.801 -9.108) 9.794 3.857 ( 14.260 8.233 -10.088) 19.311 4.142 ( -9.479 -5.473 6.580) 12.771 4.198 ( -1.182 -0.683 -2.953) 3.253 4.310 ( 2.573 1.485 -3.319) 4.454 4.701 ( 0.984 0.568 8.550) 8.625 4.830 ( 0.698 0.403 -3.017) 3.123 5.240 ( -0.379 -0.219 -2.410) 2.449 5.316 ( -4.304 -2.485 -0.467) 4.992 6.060 ( -1.521 -0.878 -1.771) 2.494 6.100 ( -7.551 -4.360 5.023) 10.063 6.447 ( -1.974 -1.140 1.252) 2.600 6.595 ( 1.715 0.990 -9.362) 9.570 6.883 ( 0.578 0.334 -6.714) 6.747 7.598 ( -19.005 -10.973 3.247) 22.184 11.714 ( -2.296 -1.326 1.793) 3.200 11.925 ( 1.368 0.790 4.370) 4.647 12.638 ( -0.569 -0.329 -0.240) 0.700 12.980 ( 6.851 3.955 0.091) 7.911 15.772 ( -2.186 -1.262 -2.126) 3.300 15.807 ( -3.497 -2.019 0.423) 4.060 16.218 ( 0.764 0.441 1.942) 2.133 16.456 ( 4.914 2.837 -2.179) 6.079 16.881 ( 0.379 0.219 4.889) 4.909 17.507 ( -3.651 -2.108 -4.699) 6.313 27.396 ( -0.846 -0.488 1.005) 1.401 27.559 ( 0.023 0.013 -2.236) 2.236 29.079 ( 0.294 0.170 -0.987) 1.044 29.447 ( 6.567 3.792 2.708) 8.052 29.459 ( 0.987 0.570 1.142) 1.614 30.211 ( 10.755 6.209 -10.640) 16.354 31.120 ( -2.794 -1.613 -2.604) 4.146 32.395 ( -19.527 -11.274 15.474) 27.346 ======================= Grid point 274 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.178 5.299 -0.873) 10.634 2.692 ( 16.854 9.731 2.147) 19.580 2.780 ( 15.222 8.789 9.582) 20.019 2.959 ( 10.550 6.091 1.422) 12.264 3.110 ( 4.155 2.399 -3.538) 5.961 3.399 ( 11.760 6.790 -1.164) 13.629 3.568 ( -1.937 -1.118 -5.510) 5.947 3.875 ( -12.780 -7.378 5.630) 15.794 4.143 ( -1.561 -0.901 -6.735) 6.972 4.267 ( 15.137 8.740 5.513) 18.328 4.364 ( 4.419 2.551 -1.057) 5.211 4.663 ( -4.456 -2.573 3.323) 6.126 4.932 ( 5.777 3.336 3.333) 7.458 5.144 ( -4.805 -2.774 -4.743) 7.299 5.258 ( -2.011 -1.161 1.482) 2.755 5.961 ( -6.013 -3.472 3.733) 7.883 6.029 ( -0.575 -0.332 -1.354) 1.508 6.399 ( -2.475 -1.429 0.150) 2.862 6.456 ( -7.609 -4.393 -11.241) 14.267 6.942 ( 4.690 2.708 -4.367) 6.957 7.241 ( -13.331 -7.697 4.989) 16.182 11.672 ( -1.998 -1.153 1.518) 2.761 11.974 ( 0.936 0.540 5.281) 5.391 12.626 ( -0.378 -0.218 -0.084) 0.445 13.121 ( 5.352 3.090 -0.244) 6.184 15.714 ( -1.774 -1.024 -3.017) 3.647 15.719 ( -4.063 -2.346 0.038) 4.692 16.246 ( 0.715 0.413 2.872) 2.988 16.548 ( 4.301 2.483 -3.271) 5.947 16.897 ( -0.840 -0.485 1.594) 1.866 17.437 ( -0.721 -0.416 -3.530) 3.627 27.384 ( -0.766 -0.442 1.055) 1.376 27.556 ( 0.679 0.392 -2.351) 2.478 29.084 ( 0.427 0.246 -0.714) 0.867 29.481 ( 0.540 0.312 0.856) 1.059 29.595 ( 4.951 2.859 3.532) 6.720 30.396 ( 8.970 5.179 -3.691) 10.995 31.043 ( -2.366 -1.366 -5.113) 5.797 32.052 ( -16.090 -9.289 9.998) 21.098 ======================= Grid point 275 (92/146) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 3.116 1.799 -0.296) 3.610 2.982 ( 9.017 5.206 -2.810) 10.785 3.041 ( 4.768 2.753 2.464) 6.032 3.150 ( 5.851 3.378 5.419) 8.661 3.183 ( -0.528 -0.305 -4.567) 4.607 3.500 ( -12.206 -7.047 1.517) 14.175 3.516 ( 1.809 1.044 4.468) 4.932 3.737 ( 7.539 4.353 1.355) 8.810 4.076 ( -0.709 -0.410 -10.135) 10.168 4.388 ( 0.508 0.294 4.937) 4.972 4.573 ( -4.242 -2.449 0.809) 4.964 4.575 ( 3.534 2.040 0.164) 4.084 5.031 ( -2.415 -1.394 -5.648) 6.299 5.066 ( 3.724 2.150 5.737) 7.170 5.282 ( 4.478 2.585 2.699) 5.833 5.895 ( -0.435 -0.251 4.226) 4.256 6.024 ( 0.609 0.352 -0.750) 1.028 6.244 ( -5.442 -3.142 -5.520) 8.364 6.342 ( -2.274 -1.313 -1.169) 2.874 6.994 ( 0.332 0.192 -1.593) 1.638 7.062 ( -3.432 -1.982 -0.274) 3.973 11.643 ( -1.099 -0.635 1.303) 1.819 12.012 ( -0.041 -0.024 6.377) 6.377 12.621 ( -0.034 -0.019 0.053) 0.066 13.204 ( 2.031 1.173 -0.869) 2.501 15.641 ( -2.270 -1.310 -1.169) 2.870 15.669 ( -0.751 -0.434 -3.671) 3.772 16.274 ( 0.412 0.238 3.544) 3.575 16.615 ( 3.005 1.735 -4.328) 5.547 16.857 ( -2.834 -1.636 0.587) 3.324 17.434 ( 1.350 0.780 -2.568) 3.004 27.370 ( -0.760 -0.439 0.610) 1.069 27.568 ( 1.161 0.670 -1.806) 2.249 29.091 ( 0.453 0.261 -0.503) 0.725 29.490 ( -0.122 -0.071 0.633) 0.649 29.689 ( 1.656 0.956 4.010) 4.442 30.594 ( 8.685 5.014 3.866) 10.748 30.970 ( -1.395 -0.805 -7.906) 8.069 31.769 ( -11.707 -6.759 4.388) 14.212 ======================= Grid point 276 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -4.144 -2.393 -0.348) 4.798 2.962 ( -13.623 -7.865 -5.586) 16.693 2.991 ( -14.964 -8.640 4.590) 17.878 3.126 ( 4.974 2.872 -1.266) 5.881 3.156 ( -8.158 -4.710 8.988) 13.020 3.272 ( -2.966 -1.712 -1.491) 3.735 3.711 ( 9.121 5.266 7.150) 12.729 3.879 ( 2.618 1.511 -4.103) 5.096 4.027 ( 0.934 0.539 -11.009) 11.061 4.406 ( -0.245 -0.141 0.608) 0.671 4.480 ( -3.875 -2.237 -0.784) 4.542 4.515 ( -4.410 -2.546 1.822) 5.408 5.015 ( 3.090 1.784 -2.203) 4.194 5.136 ( -0.006 -0.003 5.292) 5.292 5.378 ( 1.127 0.651 1.141) 1.731 5.971 ( 1.776 1.025 7.756) 8.022 6.051 ( 1.866 1.077 0.712) 2.269 6.292 ( -1.244 -0.718 -2.655) 3.019 6.301 ( 14.643 8.454 -2.065) 17.034 6.967 ( -1.207 -0.697 -0.147) 1.401 7.027 ( -0.240 -0.138 -4.863) 4.871 11.637 ( 0.062 0.036 1.190) 1.192 12.029 ( -1.342 -0.775 7.468) 7.627 12.626 ( 0.351 0.203 0.132) 0.426 13.199 ( -1.989 -1.149 -1.599) 2.799 15.616 ( 0.795 0.459 -1.946) 2.152 15.650 ( 0.677 0.391 -3.796) 3.876 16.294 ( -0.151 -0.087 3.697) 3.701 16.637 ( 0.811 0.468 -5.078) 5.164 16.783 ( -3.968 -2.291 0.572) 4.617 17.464 ( 2.244 1.296 -2.107) 3.340 27.360 ( -0.263 -0.152 0.321) 0.442 27.586 ( 0.932 0.538 -1.376) 1.747 29.099 ( 0.416 0.240 -0.378) 0.611 29.481 ( -0.840 -0.485 0.500) 1.091 29.699 ( -2.498 -1.442 4.294) 5.173 30.824 ( 8.694 5.019 9.242) 13.645 30.906 ( -0.734 -0.424 -9.185) 9.224 31.577 ( -5.756 -3.323 -0.202) 6.649 ======================= Grid point 277 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -12.063 -6.965 0.128) 13.930 2.526 ( -25.399 -14.664 7.694) 30.321 2.587 ( -16.687 -9.634 -3.334) 19.555 2.938 ( -16.801 -9.700 5.569) 20.184 3.128 ( -10.608 -6.125 3.774) 12.817 3.213 ( 3.283 1.895 -2.030) 4.300 3.869 ( 1.167 0.674 -6.933) 7.063 3.881 ( 2.404 1.388 4.034) 4.897 4.037 ( 3.908 2.256 -8.352) 9.493 4.330 ( -3.709 -2.141 -2.089) 4.765 4.408 ( -1.454 -0.839 -0.968) 1.938 4.555 ( 4.665 2.693 1.375) 5.559 5.111 ( -3.737 -2.157 3.448) 5.523 5.131 ( 6.614 3.818 0.865) 7.686 5.371 ( -0.762 -0.440 -2.061) 2.241 6.039 ( 1.476 0.852 10.365) 10.504 6.116 ( 3.121 1.802 2.592) 4.439 6.263 ( -0.046 -0.026 -3.981) 3.981 6.756 ( 20.709 11.956 -1.882) 23.986 6.923 ( -0.817 -0.472 -0.902) 1.305 7.021 ( 2.323 1.341 -4.920) 5.604 11.655 ( 1.034 0.597 1.201) 1.694 12.020 ( -2.593 -1.497 8.213) 8.741 12.638 ( 0.621 0.359 0.132) 0.729 13.107 ( -5.149 -2.973 -2.097) 6.304 15.659 ( 3.677 2.123 -1.959) 4.675 15.665 ( 2.126 1.227 -3.384) 4.181 16.299 ( -0.874 -0.505 3.328) 3.478 16.606 ( -1.391 -0.803 -5.682) 5.905 16.677 ( -5.730 -3.308 1.209) 6.726 17.521 ( 3.718 2.147 -1.917) 4.702 27.363 ( 0.453 0.261 0.327) 0.616 27.595 ( 0.392 0.226 -1.265) 1.343 29.106 ( 0.367 0.212 -0.375) 0.566 29.457 ( -1.419 -0.819 0.492) 1.711 29.620 ( -6.069 -3.504 4.202) 8.171 30.831 ( -0.240 -0.138 -17.780) 17.782 31.059 ( 5.436 3.138 15.976) 17.165 31.535 ( 2.764 1.596 1.880) 3.704 ======================= Grid point 282 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 13.988 24.292) 28.031 1.343 ( 0.000 16.918 24.120) 29.461 1.482 ( -0.000 9.891 -10.761) 14.616 1.761 ( -0.000 29.135 -16.150) 33.311 2.452 ( 0.000 11.528 52.264) 53.521 3.164 ( -0.000 -3.071 -8.241) 8.795 3.409 ( -0.000 7.803 -14.356) 16.339 3.440 ( -0.000 10.922 -27.883) 29.946 4.164 ( 0.000 -2.445 2.122) 3.238 4.247 ( -0.000 3.169 -1.174) 3.379 4.427 ( 0.000 -2.145 6.728) 7.061 4.496 ( 0.000 2.614 1.541) 3.035 4.964 ( 0.000 -0.671 2.260) 2.357 5.032 ( -0.000 5.716 1.333) 5.870 5.545 ( -0.000 -3.738 -4.001) 5.475 6.160 ( -0.000 -0.506 -4.072) 4.103 6.231 ( -0.000 6.607 -3.434) 7.446 6.445 ( 0.000 -2.396 3.259) 4.045 6.481 ( 0.000 -0.287 2.157) 2.176 7.050 ( -0.000 -2.431 -5.400) 5.922 8.368 ( -0.000 -17.181 -6.295) 18.298 11.795 ( 0.000 -1.006 2.264) 2.477 11.860 ( 0.000 5.625 1.506) 5.823 12.670 ( -0.000 -0.199 -0.368) 0.418 12.708 ( -0.000 3.793 -0.039) 3.793 15.820 ( -0.000 -3.088 -1.199) 3.312 15.875 ( -0.000 -0.374 -1.255) 1.310 16.216 ( -0.000 3.127 0.522) 3.171 16.232 ( 0.000 2.264 0.916) 2.443 16.974 ( 0.000 -11.739 11.676) 16.557 17.719 ( -0.000 -3.656 -4.086) 5.483 27.456 ( 0.000 -2.123 0.182) 2.131 27.577 ( -0.000 -0.486 -0.965) 1.080 29.090 ( -0.000 0.180 -1.535) 1.545 29.183 ( -0.000 8.152 -0.829) 8.194 29.398 ( 0.000 0.654 1.712) 1.833 29.596 ( -0.000 17.747 -8.680) 19.756 31.231 ( 0.000 -1.172 1.139) 1.635 33.324 ( 0.000 -25.464 11.099) 27.778 ======================= Grid point 283 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.367 15.430 -10.806) 20.227 1.651 ( 13.131 14.962 21.263) 29.127 1.712 ( 9.826 16.967 19.549) 27.688 2.073 ( 10.747 23.725 -10.590) 28.116 2.844 ( 5.203 11.949 40.068) 42.134 3.081 ( -0.649 -1.065 -10.991) 11.061 3.445 ( 3.541 7.058 -15.670) 17.548 3.494 ( 6.538 8.364 -20.653) 23.222 4.171 ( 2.448 -2.514 1.474) 3.806 4.262 ( -0.351 2.540 -2.737) 3.751 4.397 ( -4.153 -3.157 6.605) 8.417 4.564 ( 3.381 3.228 2.743) 5.420 4.928 ( -3.392 -0.893 0.727) 3.582 5.136 ( 4.375 3.746 -0.112) 5.761 5.462 ( -2.975 -3.539 -3.757) 5.958 6.119 ( -1.608 -0.733 -3.135) 3.599 6.299 ( -1.039 1.766 0.661) 2.153 6.426 ( 1.652 2.184 -1.045) 2.931 6.490 ( 0.014 -0.247 0.274) 0.369 6.972 ( -2.780 -3.619 -5.199) 6.918 8.087 ( -7.950 -19.552 -3.431) 21.383 11.786 ( -0.916 -0.988 1.968) 2.385 11.914 ( -1.103 5.443 1.980) 5.896 12.662 ( -0.447 0.097 -0.371) 0.589 12.782 ( 3.452 4.573 0.421) 5.745 15.797 ( 1.229 -3.697 -1.365) 4.129 15.855 ( -0.422 -1.531 -0.688) 1.731 16.220 ( -1.412 2.467 1.160) 3.070 16.313 ( 3.612 4.102 -0.456) 5.484 16.900 ( -1.313 -8.962 10.843) 14.128 17.634 ( -2.785 -4.021 -4.786) 6.843 27.430 ( -0.918 -1.414 0.615) 1.794 27.564 ( -0.160 -0.640 -1.494) 1.633 29.086 ( -0.094 0.732 -1.371) 1.557 29.266 ( 1.020 6.363 1.196) 6.554 29.445 ( 1.973 3.498 1.602) 4.324 29.807 ( 9.857 13.729 -12.561) 21.058 31.206 ( -1.670 -1.794 0.083) 2.452 33.008 ( -13.134 -23.186 14.842) 30.502 ======================= Grid point 284 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 10.260 15.200 -5.918) 19.270 2.132 ( 14.158 15.705 13.653) 25.169 2.187 ( 17.611 15.633 14.618) 27.716 2.463 ( 14.530 18.032 -3.597) 23.436 3.017 ( 1.431 0.427 -7.949) 8.088 3.160 ( 3.164 8.711 6.347) 11.233 3.525 ( 3.954 5.885 -7.050) 9.999 3.664 ( 12.277 8.731 -2.717) 15.308 4.189 ( 0.200 -1.773 0.978) 2.035 4.268 ( 0.523 -0.064 -2.482) 2.537 4.293 ( -6.852 -1.783 5.556) 9.000 4.684 ( 4.729 1.070 5.892) 7.630 4.857 ( -3.333 0.963 -2.171) 4.092 5.208 ( 2.075 -0.835 -1.899) 2.934 5.356 ( -3.967 -2.396 -2.237) 5.146 6.069 ( -1.643 -1.090 -2.462) 3.154 6.204 ( -7.080 -4.084 3.718) 8.979 6.470 ( -1.130 -1.158 -0.168) 1.627 6.542 ( 4.140 6.079 -6.064) 9.532 6.853 ( -2.617 -3.652 -5.926) 7.437 7.720 ( -11.554 -18.746 0.311) 22.022 11.762 ( -2.167 -0.187 1.531) 2.660 11.953 ( -0.752 3.539 3.342) 4.925 12.654 ( -0.802 0.785 -0.267) 1.154 12.906 ( 5.714 3.787 0.537) 6.876 15.759 ( -0.428 -3.786 -1.848) 4.234 15.821 ( -1.199 -3.253 0.189) 3.472 16.236 ( -0.223 2.255 1.796) 2.892 16.414 ( 3.606 4.760 -1.719) 6.214 16.874 ( 1.073 -4.445 6.468) 7.921 17.517 ( -3.478 -3.759 -4.757) 6.990 27.409 ( -0.766 -0.693 1.097) 1.507 27.547 ( -0.064 -0.577 -2.221) 2.296 29.088 ( -0.330 1.481 -1.011) 1.823 29.347 ( 3.462 0.536 1.936) 4.003 29.543 ( 1.029 9.481 2.200) 9.787 30.040 ( 11.104 8.549 -11.107) 17.881 31.143 ( -2.975 -2.148 -1.517) 3.971 32.617 ( -15.755 -19.365 13.978) 28.611 ======================= Grid point 285 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 8.203 13.713 -2.256) 16.137 2.558 ( 13.548 12.927 6.294) 19.755 2.682 ( 15.930 13.829 9.549) 23.156 2.841 ( 12.538 10.628 0.815) 16.457 3.044 ( 4.087 2.886 -5.461) 7.407 3.281 ( 6.316 6.445 -9.774) 13.303 3.591 ( 0.061 6.475 -4.850) 8.091 3.977 ( 5.819 1.284 6.216) 8.611 4.098 ( -3.904 -4.440 6.366) 8.689 4.222 ( 0.474 4.641 2.739) 5.410 4.315 ( 2.540 1.261 -0.122) 2.838 4.709 ( -1.449 -4.250 4.274) 6.199 4.909 ( 4.276 7.248 0.048) 8.416 5.149 ( -3.034 -5.399 -4.755) 7.808 5.280 ( -2.332 -1.955 0.152) 3.047 6.016 ( -1.820 -2.661 -2.599) 4.142 6.062 ( -6.239 -2.839 3.633) 7.758 6.425 ( -1.945 -1.391 -1.908) 3.059 6.506 ( -7.288 -1.324 -6.763) 10.030 6.846 ( 5.874 0.953 -5.109) 7.843 7.367 ( -11.131 -14.263 3.285) 18.388 11.726 ( -3.064 0.768 1.207) 3.382 11.992 ( 0.287 1.378 4.752) 4.956 12.649 ( -1.152 1.623 -0.079) 1.992 13.040 ( 6.292 1.747 0.082) 6.531 15.700 ( -0.994 -3.499 -2.210) 4.256 15.748 ( -2.877 -4.064 -0.120) 4.981 16.271 ( 0.138 2.707 2.447) 3.651 16.507 ( 3.021 4.607 -2.648) 6.112 16.889 ( 1.311 -2.155 2.041) 3.245 17.419 ( -1.394 -2.851 -3.534) 4.750 27.398 ( -0.754 -0.531 1.401) 1.677 27.535 ( 0.571 -0.079 -2.610) 2.673 29.094 ( -0.479 1.945 -0.685) 2.117 29.405 ( 3.683 -2.767 1.513) 4.848 29.674 ( 0.083 11.784 3.265) 12.229 30.255 ( 11.020 5.963 -6.575) 14.150 31.056 ( -3.354 -2.141 -3.031) 5.002 32.236 ( -14.918 -16.584 10.061) 24.470 ======================= Grid point 286 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 2.711 10.612 -0.541) 10.966 2.863 ( 9.344 6.308 -1.450) 11.367 3.029 ( 6.214 9.670 2.969) 11.872 3.094 ( 8.206 6.191 3.676) 10.917 3.166 ( 5.725 7.292 -3.510) 9.913 3.403 ( 6.179 -1.275 -5.077) 8.098 3.654 ( -0.120 9.924 -0.381) 9.932 3.803 ( -12.158 -5.562 7.360) 15.261 4.070 ( -2.575 0.350 -4.739) 5.405 4.336 ( 3.711 -4.562 -2.226) 6.288 4.451 ( 6.016 1.383 11.978) 13.475 4.702 ( -0.678 4.244 1.493) 4.550 5.006 ( -2.157 -6.100 -5.828) 8.708 5.039 ( 3.122 1.948 1.109) 3.844 5.254 ( 2.415 0.871 1.811) 3.142 5.925 ( -2.760 -3.271 1.756) 4.626 6.001 ( -0.727 -1.913 -0.440) 2.093 6.316 ( -8.010 -1.839 -2.874) 8.706 6.365 ( -2.343 -1.457 -2.375) 3.640 6.934 ( 4.813 0.808 -4.500) 6.638 7.120 ( -6.893 -7.265 2.093) 10.231 11.690 ( -2.944 1.523 0.994) 3.461 12.030 ( 0.709 -0.643 6.176) 6.250 12.647 ( -1.358 2.411 0.106) 2.769 13.140 ( 4.861 -0.913 -0.791) 5.009 15.642 ( -1.081 -3.207 -1.458) 3.685 15.663 ( -1.986 -2.387 -2.490) 3.980 16.309 ( -0.488 2.833 2.870) 4.062 16.578 ( 2.087 3.783 -3.387) 5.490 16.877 ( -0.987 -1.753 0.159) 2.018 17.388 ( 1.742 -1.755 -2.399) 3.445 27.382 ( -0.951 -0.729 0.998) 1.559 27.544 ( 1.340 0.581 -2.161) 2.608 29.102 ( -0.580 2.116 -0.484) 2.246 29.433 ( 2.815 -3.866 1.107) 4.909 29.788 ( -2.008 10.763 3.918) 11.629 30.478 ( 11.343 5.283 -1.780) 12.639 30.966 ( -2.872 -1.908 -3.579) 4.970 31.891 ( -12.062 -13.948 5.138) 19.143 ======================= Grid point 287 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -4.357 6.540 -0.177) 7.860 3.000 ( 4.076 0.723 -3.085) 5.163 3.133 ( -10.435 1.192 -5.705) 11.952 3.153 ( -1.038 5.548 0.944) 5.723 3.273 ( 1.925 4.348 2.874) 5.556 3.378 ( -13.241 -7.680 7.849) 17.202 3.616 ( 6.263 1.689 5.454) 8.475 3.853 ( 3.557 6.633 -2.236) 7.851 4.016 ( -2.347 3.746 -6.339) 7.728 4.310 ( 3.126 -7.944 -3.114) 9.087 4.507 ( -2.029 -3.644 9.742) 10.597 4.633 ( -8.466 -0.937 -4.796) 9.775 4.949 ( 3.176 -2.182 -2.727) 4.720 5.107 ( 4.200 -2.406 3.833) 6.174 5.394 ( 3.716 6.684 0.124) 7.649 5.919 ( 3.342 -3.118 2.179) 5.064 6.019 ( 6.963 1.210 3.325) 7.811 6.231 ( -1.617 2.906 1.826) 3.794 6.301 ( -2.079 -1.055 -3.266) 4.012 6.969 ( 1.046 -0.299 -3.164) 3.346 7.003 ( -1.792 -2.277 -2.579) 3.879 11.670 ( -1.966 2.072 0.879) 2.989 12.056 ( 0.308 -2.460 7.438) 7.841 12.651 ( -1.369 2.884 0.194) 3.198 13.171 ( 1.789 -3.212 -1.760) 4.076 15.595 ( -0.109 -1.598 -1.741) 2.366 15.624 ( 0.396 -0.453 -3.289) 3.344 16.331 ( -1.280 1.788 2.987) 3.709 16.616 ( 0.625 2.630 -4.015) 4.840 16.830 ( -2.854 -1.246 0.399) 3.139 17.407 ( 3.141 -1.149 -2.172) 3.988 27.365 ( -0.591 -0.585 0.581) 1.014 27.565 ( 1.321 0.730 -1.676) 2.255 29.110 ( -0.646 2.042 -0.410) 2.181 29.436 ( 1.846 -4.533 1.018) 4.999 29.839 ( -5.539 8.330 4.155) 10.832 30.710 ( 10.111 4.145 -4.736) 11.910 30.909 ( -0.491 -0.473 3.762) 3.824 31.617 ( -7.067 -10.493 0.372) 12.656 ======================= Grid point 288 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -11.582 2.512 0.243) 11.854 2.816 ( -19.255 -3.032 -2.622) 19.668 2.870 ( -21.935 -6.332 3.078) 23.037 3.109 ( -2.445 -4.044 0.481) 4.750 3.174 ( -8.283 -1.850 4.997) 9.849 3.291 ( -5.694 1.536 6.107) 8.490 3.753 ( 5.916 -1.363 -6.040) 8.564 3.931 ( 0.245 5.393 2.749) 6.058 4.013 ( -0.068 6.653 -5.906) 8.897 4.269 ( 2.332 -7.464 -3.737) 8.666 4.439 ( -5.126 -3.909 -2.907) 7.071 4.513 ( 1.822 -1.689 3.690) 4.448 5.036 ( 7.077 0.984 0.036) 7.145 5.136 ( 0.153 -2.584 3.474) 4.332 5.423 ( -3.739 3.057 -2.233) 5.321 5.959 ( 5.216 -4.754 3.936) 8.081 6.202 ( 0.191 6.117 8.158) 10.198 6.247 ( -1.339 -0.103 -3.589) 3.832 6.455 ( 23.380 7.211 -0.172) 24.467 6.939 ( -1.797 -1.280 -3.553) 4.182 6.971 ( 0.986 0.311 -4.535) 4.651 11.673 ( -0.708 2.382 0.871) 2.633 12.058 ( -0.581 -4.091 8.150) 9.138 12.658 ( -1.168 2.770 0.142) 3.009 13.123 ( -1.859 -4.164 -2.377) 5.142 15.600 ( 2.688 0.136 -2.560) 3.714 15.636 ( 1.899 1.468 -2.249) 3.289 16.328 ( -1.571 -0.153 2.841) 3.251 16.611 ( -1.480 1.771 -4.360) 4.933 16.757 ( -5.045 -1.012 1.049) 5.251 17.452 ( 4.295 -0.223 -2.215) 4.838 27.360 ( 0.168 -0.186 0.528) 0.585 27.582 ( 0.736 0.514 -1.592) 1.827 29.116 ( -0.641 1.794 -0.459) 1.960 29.418 ( 0.972 -5.076 1.195) 5.305 29.798 ( -9.260 5.183 4.023) 11.349 30.740 ( 0.813 -1.104 -16.804) 16.859 31.067 ( 6.504 3.498 16.916) 18.457 31.481 ( 1.791 -4.792 -0.589) 5.150 ======================= Grid point 294 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.000 16.688 -10.229) 19.574 1.793 ( 0.000 16.907 20.771) 26.782 1.898 ( 0.000 19.470 17.648) 26.278 2.213 ( -0.000 29.009 -9.038) 30.384 3.009 ( -0.000 -1.360 -13.235) 13.304 3.096 ( 0.000 11.897 25.210) 27.876 3.409 ( -0.000 10.128 -11.154) 15.066 3.483 ( -0.000 9.743 -9.323) 13.485 4.123 ( 0.000 -3.781 1.947) 4.252 4.277 ( -0.000 2.226 -2.629) 3.445 4.435 ( 0.000 -2.658 5.906) 6.477 4.573 ( 0.000 2.229 3.513) 4.161 4.967 ( -0.000 0.510 -0.050) 0.512 5.118 ( -0.000 1.662 -1.073) 1.978 5.439 ( -0.000 -2.577 -3.787) 4.581 6.110 ( -0.000 -0.943 -3.464) 3.590 6.343 ( -0.000 5.505 -2.099) 5.892 6.419 ( 0.000 -3.284 3.244) 4.616 6.479 ( -0.000 1.886 -4.744) 5.105 6.940 ( -0.000 -4.717 -2.827) 5.499 7.919 ( 0.000 -23.445 -2.671) 23.596 11.785 ( 0.000 -1.908 1.854) 2.661 12.001 ( -0.000 7.549 -0.005) 7.549 12.659 ( -0.000 -0.497 -0.400) 0.638 12.813 ( -0.000 6.157 0.994) 6.236 15.739 ( 0.000 -4.140 -0.571) 4.179 15.834 ( 0.000 -3.208 0.104) 3.210 16.287 ( -0.000 2.608 0.298) 2.625 16.303 ( -0.000 5.103 -0.274) 5.110 16.862 ( 0.000 -9.566 10.639) 14.307 17.593 ( -0.000 -4.592 -4.779) 6.627 27.427 ( 0.000 -1.273 0.805) 1.506 27.550 ( -0.000 -1.006 -1.746) 2.015 29.080 ( -0.000 0.129 -1.264) 1.270 29.383 ( -0.000 11.669 1.545) 11.770 29.432 ( 0.000 1.274 1.415) 1.904 29.817 ( -0.000 14.320 -11.295) 18.239 31.201 ( 0.000 -2.198 -0.500) 2.254 32.933 ( 0.000 -26.070 13.261) 29.249 ======================= Grid point 295 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 7.840 16.968 -6.509) 19.793 2.145 ( 10.606 17.039 16.046) 25.697 2.218 ( 6.389 18.149 14.384) 24.023 2.496 ( 4.714 25.794 -5.051) 26.703 2.954 ( 1.400 0.565 -11.381) 11.481 3.209 ( -0.190 7.824 -12.391) 14.656 3.541 ( 1.242 9.825 -2.489) 10.211 3.622 ( 6.640 10.838 15.164) 19.786 4.127 ( 3.779 -3.558 1.549) 5.416 4.276 ( -1.335 1.413 -1.936) 2.743 4.399 ( -4.323 -1.810 5.780) 7.441 4.640 ( 3.600 0.007 5.009) 6.168 4.931 ( -4.173 2.626 -2.157) 5.382 5.142 ( 2.603 -2.529 -2.112) 4.199 5.382 ( -2.483 -1.156 -2.910) 3.996 6.072 ( -1.472 -1.053 -3.115) 3.603 6.287 ( -5.601 -3.232 0.233) 6.471 6.443 ( 1.841 -2.626 -1.749) 3.654 6.520 ( 3.454 8.100 -4.733) 9.997 6.843 ( -3.675 -6.210 -2.857) 7.761 7.644 ( -4.215 -22.759 0.573) 23.153 11.774 ( 0.075 -1.793 1.440) 2.301 12.049 ( -2.543 6.756 0.134) 7.220 12.660 ( 0.643 -0.007 -0.379) 0.746 12.892 ( 1.579 5.429 1.316) 5.806 15.706 ( 0.786 -4.421 -0.635) 4.535 15.796 ( -0.280 -4.519 0.849) 4.606 16.284 ( -1.635 2.901 0.709) 3.405 16.395 ( 3.585 4.790 -1.297) 6.122 16.834 ( 0.880 -5.874 7.693) 9.719 17.507 ( -2.328 -4.275 -4.391) 6.556 27.418 ( -0.397 -0.645 1.301) 1.505 27.529 ( -0.049 -1.068 -2.277) 2.515 29.087 ( 1.040 0.468 -0.985) 1.507 29.381 ( -3.640 3.437 1.336) 5.181 29.600 ( 5.529 10.253 2.872) 11.998 29.939 ( 5.190 10.850 -10.422) 15.915 31.157 ( -1.927 -2.296 -1.697) 3.444 32.666 ( -8.190 -24.338 12.017) 28.352 ======================= Grid point 296 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 9.928 16.181 -2.824) 19.193 2.551 ( 7.872 15.442 8.380) 19.252 2.597 ( 14.582 14.175 10.235) 22.767 2.801 ( 7.055 16.799 -0.721) 18.234 2.982 ( 4.438 4.770 -6.672) 9.325 3.219 ( 1.916 7.288 -15.649) 17.369 3.635 ( 1.473 9.629 -6.347) 11.626 3.919 ( 7.307 5.305 16.484) 18.795 4.179 ( 0.873 -0.951 2.616) 2.918 4.218 ( -1.879 -3.317 0.122) 3.814 4.361 ( -2.315 3.191 6.812) 7.870 4.687 ( 0.286 -4.102 4.969) 6.450 4.923 ( 1.020 5.529 -2.518) 6.161 5.106 ( -0.843 -4.845 -4.371) 6.579 5.308 ( -3.454 -1.767 -1.719) 4.243 6.006 ( -2.416 -2.421 -4.411) 5.582 6.156 ( -6.017 -2.948 2.270) 7.075 6.411 ( -0.313 -2.343 -4.502) 5.085 6.605 ( -5.539 1.560 -1.154) 5.869 6.723 ( 4.432 -2.962 -5.588) 7.723 7.366 ( -5.788 -17.634 3.596) 18.905 11.766 ( -0.387 -0.694 0.985) 1.266 12.057 ( -3.013 4.224 1.575) 5.422 12.676 ( 0.455 1.561 -0.184) 1.637 12.976 ( 2.960 2.496 0.864) 3.967 15.664 ( -0.213 -4.326 -0.704) 4.389 15.738 ( -1.377 -5.256 0.368) 5.446 16.306 ( 0.130 3.187 1.192) 3.405 16.496 ( 3.370 4.995 -1.800) 6.289 16.844 ( 1.800 -2.735 3.494) 4.789 17.405 ( -2.533 -3.581 -3.213) 5.437 27.412 ( -0.661 -0.467 1.773) 1.949 27.511 ( 0.434 -0.499 -2.694) 2.774 29.110 ( 0.913 1.438 -0.612) 1.810 29.369 ( -0.745 0.456 1.040) 1.358 29.800 ( 2.346 12.969 4.155) 13.819 30.103 ( 9.110 6.839 -8.125) 13.992 31.080 ( -3.243 -2.024 -2.677) 4.667 32.318 ( -11.557 -21.784 9.270) 26.345 ======================= Grid point 297 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 5.664 14.623 -0.645) 15.695 2.788 ( 5.870 6.259 -0.692) 8.609 3.007 ( 12.931 12.782 4.208) 18.662 3.045 ( 7.129 9.664 3.073) 12.396 3.125 ( 4.989 7.733 -0.585) 9.222 3.293 ( 5.154 6.524 -11.657) 14.318 3.727 ( 1.460 9.514 -3.650) 10.294 3.984 ( -8.948 -4.497 6.136) 11.745 4.096 ( -1.523 -1.801 5.349) 5.846 4.266 ( 1.405 1.040 -2.539) 3.083 4.472 ( 3.328 5.218 13.166) 14.548 4.681 ( 3.467 -1.204 3.017) 4.751 4.932 ( -0.669 -9.378 -4.045) 10.235 5.038 ( -2.176 2.190 -6.397) 7.103 5.239 ( 0.146 -0.671 1.236) 1.414 5.910 ( -1.960 -3.939 -4.630) 6.387 6.054 ( -5.375 -2.163 4.284) 7.205 6.356 ( -0.811 -2.548 -4.816) 5.509 6.431 ( -8.024 -2.885 0.047) 8.527 6.824 ( 6.484 1.550 -4.219) 7.890 7.151 ( -5.241 -10.120 2.947) 11.772 11.754 ( -1.642 1.145 0.458) 2.053 12.052 ( -1.498 0.420 3.539) 3.866 12.701 ( -0.637 3.593 0.185) 3.654 13.042 ( 3.911 -1.441 -0.266) 4.177 15.615 ( -0.458 -3.649 -0.250) 3.686 15.657 ( -2.041 -4.043 -1.460) 4.758 16.352 ( 0.474 3.331 1.321) 3.614 16.584 ( 1.818 5.276 -1.748) 5.847 16.857 ( 0.963 -1.940 0.519) 2.227 17.338 ( -0.066 -2.728 -1.825) 3.283 27.397 ( -1.118 -0.937 1.272) 1.935 27.516 ( 1.342 0.583 -2.085) 2.548 29.135 ( -0.095 2.595 -0.366) 2.622 29.369 ( 1.051 -2.147 0.803) 2.522 29.959 ( -1.336 13.396 4.367) 14.153 30.309 ( 12.070 4.695 -5.045) 13.899 30.992 ( -3.481 -1.499 -2.309) 4.438 31.953 ( -11.533 -19.145 5.407) 22.995 ======================= Grid point 298 (106/146) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -2.258 11.334 0.060) 11.557 2.913 ( 5.962 2.066 -2.749) 6.882 3.213 ( 0.780 5.665 1.505) 5.914 3.240 ( 2.120 7.041 -0.839) 7.401 3.318 ( 0.678 10.753 -5.704) 12.191 3.366 ( 7.461 1.412 0.860) 7.642 3.750 ( -12.705 -3.074 7.770) 15.206 3.841 ( 2.528 1.770 1.149) 3.293 4.093 ( -0.683 1.656 2.919) 3.425 4.231 ( -3.735 2.082 -4.927) 6.524 4.554 ( -2.300 -3.651 10.474) 11.328 4.714 ( -6.838 -3.888 -7.518) 10.881 4.847 ( 4.117 -4.012 -0.530) 5.773 4.979 ( 7.411 -4.809 -0.340) 8.841 5.357 ( 6.971 6.273 -0.001) 9.378 5.846 ( 0.997 -4.000 -2.123) 4.637 5.979 ( -1.533 -2.275 5.417) 6.072 6.285 ( -1.357 -3.143 -3.014) 4.561 6.343 ( -3.887 2.889 2.162) 5.303 6.900 ( 3.640 0.004 -4.845) 6.060 7.020 ( -3.169 -3.506 0.473) 4.750 11.738 ( -2.478 2.674 0.022) 3.646 12.048 ( 0.220 -3.288 5.375) 6.305 12.722 ( -2.004 4.926 0.431) 5.335 13.074 ( 3.690 -4.429 -1.478) 5.951 15.575 ( -0.617 -2.717 -0.568) 2.844 15.599 ( -0.032 -1.187 -2.312) 2.599 16.386 ( -0.904 2.671 1.333) 3.119 16.638 ( -0.399 4.850 -1.916) 5.230 16.845 ( -0.224 -1.705 0.145) 1.725 17.330 ( 2.495 -2.014 -1.523) 3.550 27.374 ( -0.914 -0.920 0.687) 1.467 27.542 ( 1.507 0.987 -1.450) 2.313 29.152 ( -1.102 3.193 -0.338) 3.394 29.367 ( 1.667 -3.866 0.875) 4.300 30.048 ( -5.025 11.249 4.119) 12.991 30.536 ( 11.615 3.290 -6.025) 13.492 30.935 ( -1.027 0.017 3.106) 3.272 31.622 ( -8.509 -15.683 1.041) 17.873 ======================= Grid point 299 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -9.395 6.431 0.353) 11.391 3.002 ( 2.494 2.094 -2.352) 4.018 3.122 ( -13.387 1.859 -3.466) 13.953 3.186 ( -13.987 -0.369 -3.847) 14.511 3.311 ( -5.737 -2.866 4.690) 7.945 3.454 ( -2.779 5.529 9.766) 11.561 3.657 ( -0.186 0.830 -0.814) 1.177 3.923 ( 7.567 -1.075 3.741) 8.509 4.113 ( -3.918 6.318 0.067) 7.434 4.173 ( -2.382 1.291 -6.749) 7.273 4.458 ( -7.151 -9.708 -4.264) 12.789 4.489 ( -0.707 -5.876 4.203) 7.258 4.923 ( 6.730 0.741 0.100) 6.771 5.093 ( 4.678 -1.870 3.575) 6.177 5.476 ( 0.407 3.035 -5.441) 6.244 5.847 ( 4.094 -3.807 1.195) 5.716 6.118 ( 15.359 1.718 6.478) 16.757 6.229 ( 0.778 -1.688 -5.302) 5.619 6.348 ( -2.230 4.337 5.924) 7.673 6.896 ( 0.714 -1.575 -6.426) 6.655 6.980 ( -0.980 1.191 -0.776) 1.726 11.727 ( -2.050 3.148 -0.081) 3.758 12.039 ( 0.690 -5.909 6.404) 8.741 12.729 ( -2.842 4.369 0.295) 5.220 13.068 ( 1.883 -4.593 -2.111) 5.394 15.555 ( 1.195 -0.371 -2.073) 2.422 15.606 ( 1.832 0.568 -0.984) 2.156 16.380 ( -2.682 0.907 1.646) 3.275 16.650 ( -1.775 3.691 -2.263) 4.679 16.817 ( -2.081 -0.812 0.669) 2.332 17.362 ( 3.965 -1.133 -1.883) 4.534 27.360 ( -0.205 -0.512 0.625) 0.834 27.566 ( 0.996 0.844 -1.454) 1.955 29.157 ( -1.592 2.855 -0.453) 3.300 29.357 ( 1.380 -4.302 1.210) 4.677 30.036 ( -9.248 6.914 3.749) 12.141 30.629 ( 3.026 -0.924 -13.300) 13.671 31.058 ( 7.543 4.016 14.738) 17.036 31.394 ( -1.756 -10.136 -2.924) 10.695 ======================= Grid point 306 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 16.580 -4.996) 17.316 2.292 ( 0.000 16.495 15.310) 22.505 2.414 ( 0.000 18.694 12.837) 22.677 2.709 ( -0.000 27.072 -4.044) 27.372 2.894 ( -0.000 1.475 -11.025) 11.123 3.213 ( -0.000 7.584 -17.688) 19.245 3.593 ( -0.000 9.587 -8.591) 12.873 3.785 ( 0.000 10.237 24.661) 26.701 4.048 ( 0.000 -5.735 1.933) 6.052 4.300 ( -0.000 1.152 -0.733) 1.366 4.458 ( 0.000 1.942 3.818) 4.283 4.618 ( 0.000 -2.565 5.806) 6.347 5.005 ( -0.000 4.921 -2.578) 5.555 5.064 ( -0.000 -5.239 -1.579) 5.472 5.382 ( -0.000 -0.546 -3.309) 3.354 6.066 ( -0.000 -0.498 -2.786) 2.830 6.300 ( -0.000 -3.015 -9.010) 9.501 6.379 ( 0.000 -3.880 3.273) 5.076 6.542 ( -0.000 6.633 -4.561) 8.050 6.801 ( 0.000 -7.697 -1.757) 7.895 7.462 ( 0.000 -21.930 3.750) 22.248 11.756 ( 0.000 -2.336 0.997) 2.539 12.137 ( -0.000 7.064 -2.165) 7.389 12.645 ( -0.000 -0.604 -0.365) 0.706 12.949 ( 0.000 6.009 1.919) 6.308 15.656 ( 0.000 -4.116 0.380) 4.133 15.754 ( 0.000 -5.725 1.804) 6.003 16.335 ( -0.000 2.358 -0.587) 2.430 16.390 ( -0.000 4.050 -0.786) 4.125 16.814 ( 0.000 -3.475 6.891) 7.717 17.468 ( -0.000 -3.826 -3.627) 5.272 27.423 ( 0.000 -0.302 1.726) 1.752 27.507 ( -0.000 -1.220 -2.502) 2.783 29.073 ( -0.000 0.181 -0.818) 0.838 29.469 ( 0.000 1.345 0.902) 1.619 29.641 ( -0.000 12.086 1.436) 12.171 29.973 ( -0.000 11.375 -6.910) 13.309 31.142 ( -0.000 -1.973 -2.801) 3.426 32.540 ( 0.000 -25.281 10.111) 27.228 ======================= Grid point 307 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 8.238 14.808 -2.208) 17.089 2.583 ( 8.363 13.721 11.545) 19.787 2.662 ( 2.087 15.666 7.948) 17.690 2.886 ( 1.674 8.003 -3.869) 9.046 2.969 ( 2.838 19.024 -4.048) 19.656 3.208 ( 0.094 7.293 -14.567) 16.291 3.663 ( 1.990 9.261 -8.316) 12.605 3.982 ( 1.723 5.502 16.459) 17.439 4.055 ( 6.358 -5.296 1.575) 8.423 4.268 ( -3.358 -2.111 0.410) 3.988 4.470 ( -3.526 3.141 6.311) 7.882 4.663 ( 3.666 -0.280 4.526) 5.831 4.952 ( -3.540 -3.372 -1.215) 5.038 5.068 ( 0.917 2.471 -3.293) 4.217 5.335 ( -2.728 -1.653 -3.431) 4.684 6.018 ( -3.327 -1.156 -4.086) 5.395 6.206 ( -2.416 -2.111 -4.324) 5.384 6.359 ( 0.383 -3.780 -1.337) 4.028 6.584 ( 3.625 -4.970 -6.339) 8.833 6.699 ( -3.736 0.353 1.144) 3.923 7.276 ( -1.790 -17.177 6.099) 18.315 11.746 ( 0.972 -2.025 0.619) 2.329 12.162 ( -3.031 5.535 -2.509) 6.791 12.656 ( 1.997 -0.030 -0.331) 2.024 13.005 ( -0.839 4.376 1.956) 4.866 15.623 ( 0.165 -3.889 0.765) 3.967 15.701 ( -0.417 -5.995 1.601) 6.219 16.341 ( -0.608 2.649 -0.274) 2.732 16.463 ( 3.928 3.233 -1.035) 5.192 16.825 ( 0.521 -1.026 4.397) 4.545 17.402 ( -2.124 -2.902 -2.478) 4.367 27.426 ( -0.455 -0.466 2.074) 2.174 27.487 ( 0.327 -0.468 -2.591) 2.653 29.088 ( 1.761 0.398 -0.468) 1.865 29.436 ( -4.233 1.714 0.355) 4.581 29.834 ( 7.883 9.729 0.270) 12.525 30.070 ( 1.106 10.444 -2.974) 10.915 31.094 ( -1.905 -1.157 -3.949) 4.534 32.285 ( -6.179 -23.820 7.876) 25.838 ======================= Grid point 308 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 10.669 12.381 -0.167) 16.344 2.785 ( 1.475 5.266 -0.701) 5.513 2.939 ( 10.918 12.375 7.033) 17.939 3.057 ( 6.144 10.787 3.689) 12.951 3.160 ( 1.487 13.036 -1.572) 13.214 3.244 ( 2.978 7.440 -10.165) 12.944 3.759 ( 2.490 8.540 -6.091) 10.781 4.049 ( -1.675 -3.072 4.465) 5.673 4.155 ( -0.330 -2.391 0.175) 2.420 4.187 ( 4.683 -1.334 3.018) 5.728 4.507 ( 1.684 1.136 11.741) 11.915 4.731 ( -2.149 6.902 1.945) 7.487 4.827 ( -2.228 -10.947 -1.350) 11.253 5.075 ( -3.308 2.019 -7.358) 8.316 5.247 ( -1.645 -1.021 0.246) 1.952 5.907 ( -4.261 -2.310 -5.070) 7.014 6.135 ( -3.942 -2.058 1.576) 4.718 6.305 ( -0.320 -4.324 -4.189) 6.029 6.478 ( -1.867 -6.872 -2.063) 7.414 6.753 ( 2.709 4.787 -0.126) 5.502 7.127 ( -2.321 -11.021 4.506) 12.130 11.755 ( 1.509 -1.013 0.479) 1.879 12.126 ( -4.405 2.490 -1.494) 5.277 12.707 ( 3.166 1.628 -0.208) 3.566 13.019 ( -1.542 1.102 1.269) 2.281 15.589 ( -0.383 -3.624 1.487) 3.936 15.639 ( -1.150 -4.274 -0.339) 4.438 16.371 ( 0.891 2.704 -0.008) 2.847 16.567 ( 4.798 3.286 -0.569) 5.843 16.840 ( -0.001 -0.311 1.583) 1.613 17.329 ( -2.266 -1.939 -1.126) 3.188 27.411 ( -1.051 -1.323 0.887) 1.908 27.494 ( 1.099 1.012 -1.167) 1.895 29.131 ( 2.453 1.017 -0.100) 2.657 29.383 ( -3.265 0.362 -0.063) 3.286 30.075 ( 9.174 8.962 0.359) 12.830 30.179 ( 1.747 8.279 -0.560) 8.480 31.026 ( -2.993 0.063 -4.132) 5.103 31.957 ( -9.468 -21.371 5.145) 23.934 ======================= Grid point 309 (111/146) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 6.244 10.973 0.405) 12.631 2.837 ( 1.889 1.490 -1.129) 2.658 3.232 ( 6.388 5.109 3.488) 8.892 3.258 ( 1.859 4.681 0.702) 5.086 3.281 ( 6.910 11.340 1.311) 13.344 3.359 ( 4.781 10.257 -7.026) 13.320 3.810 ( -1.169 -0.933 -1.066) 1.837 3.932 ( -7.602 -5.003 1.613) 9.243 4.094 ( -0.010 -0.449 1.919) 1.971 4.333 ( 3.594 5.939 0.195) 6.945 4.588 ( -2.104 -10.213 8.018) 13.154 4.718 ( 5.899 -1.613 -0.108) 6.116 4.760 ( -4.214 7.328 -1.580) 8.600 4.864 ( -6.542 -10.372 -6.257) 13.767 5.321 ( 3.991 5.025 1.707) 6.640 5.808 ( -2.100 -2.442 -2.970) 4.381 6.036 ( -4.689 -3.564 3.040) 6.628 6.243 ( -0.195 -3.378 -3.307) 4.731 6.423 ( -1.361 0.627 1.087) 1.851 6.830 ( 2.710 1.520 -1.831) 3.607 7.029 ( -1.696 -4.508 1.729) 5.117 11.776 ( 0.734 0.785 0.163) 1.087 12.059 ( -3.367 -1.765 0.444) 3.827 12.785 ( 2.118 4.430 0.149) 4.912 12.990 ( -0.737 -3.155 -0.001) 3.239 15.557 ( -0.387 -2.918 1.351) 3.239 15.586 ( -0.913 -1.228 -1.572) 2.194 16.413 ( 0.889 2.166 0.079) 2.343 16.673 ( 2.969 4.277 -0.190) 5.210 16.826 ( -0.865 -1.598 0.098) 1.820 17.289 ( -0.188 -1.004 -0.414) 1.102 27.382 ( -0.966 -1.205 0.251) 1.565 27.524 ( 1.281 1.373 -0.439) 1.928 29.182 ( 1.531 2.242 -0.001) 2.715 29.333 ( -1.615 -1.915 -0.000) 2.505 30.252 ( -3.503 10.468 5.314) 12.251 30.332 ( 12.697 2.894 -5.141) 14.001 30.973 ( -1.958 1.785 -1.531) 3.060 31.616 ( -9.389 -17.914 1.965) 20.320 ======================= Grid point 310 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( -6.353 5.980 1.056) 8.789 2.916 ( 6.727 0.966 -2.458) 7.227 3.288 ( -2.352 2.636 0.139) 3.535 3.294 ( -2.005 0.795 -1.385) 2.563 3.466 ( -6.878 6.661 -0.967) 9.623 3.499 ( 3.656 9.586 -1.138) 10.322 3.734 ( 6.761 -8.193 1.902) 10.791 3.789 ( -6.759 -2.813 6.752) 9.959 4.129 ( 0.828 0.293 -1.518) 1.754 4.372 ( -8.920 5.831 -1.778) 10.804 4.453 ( -3.919 -2.793 -9.204) 10.386 4.472 ( -6.364 -15.220 10.118) 19.353 4.844 ( 4.085 2.967 -0.388) 5.064 4.960 ( 10.901 1.885 1.314) 11.141 5.428 ( 3.429 2.184 -3.508) 5.370 5.769 ( 1.422 -2.296 0.204) 2.708 5.995 ( 2.665 -1.134 4.133) 5.047 6.195 ( -0.870 -2.185 -3.018) 3.826 6.430 ( -0.809 2.003 3.027) 3.718 6.850 ( 0.695 -0.325 -2.997) 3.094 7.001 ( -0.344 0.803 -0.174) 0.890 11.789 ( -1.287 2.789 -0.608) 3.132 11.993 ( -0.472 -6.141 2.880) 6.799 12.835 ( -3.561 5.209 0.688) 6.347 12.962 ( 3.848 -4.527 -1.397) 6.104 15.535 ( 0.006 -0.393 -0.872) 0.957 15.581 ( 1.093 0.294 -0.139) 1.140 16.432 ( -1.108 1.070 0.434) 1.600 16.722 ( -2.452 4.271 -0.586) 4.960 16.806 ( 1.556 -2.479 0.251) 2.938 17.298 ( 1.926 0.094 -0.766) 2.075 27.362 ( -0.427 -0.715 0.311) 0.889 27.554 ( 0.939 1.197 -0.622) 1.644 29.214 ( -1.405 3.302 -0.470) 3.619 29.299 ( 1.161 -3.729 0.787) 3.984 30.258 ( -7.234 4.449 3.793) 9.302 30.498 ( 6.304 1.105 -7.478) 9.843 31.033 ( 5.638 4.744 6.231) 9.650 31.335 ( -5.698 -12.147 -1.781) 13.535 ======================= Grid point 318 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.000 12.457 -0.902) 12.489 2.684 ( 0.000 9.886 9.797) 13.918 2.844 ( 0.000 15.328 6.880) 16.802 2.891 ( -0.000 6.733 -4.031) 7.847 3.161 ( -0.000 20.139 -0.161) 20.139 3.215 ( -0.000 6.533 -11.040) 12.828 3.684 ( -0.000 7.561 -8.964) 11.727 3.941 ( 0.000 -6.755 2.548) 7.220 4.072 ( 0.000 1.412 7.950) 8.075 4.276 ( 0.000 -1.813 0.954) 2.049 4.586 ( 0.000 -5.593 5.747) 8.019 4.616 ( -0.000 8.657 2.110) 8.910 4.937 ( 0.000 -5.696 1.836) 5.984 5.099 ( -0.000 6.453 -2.759) 7.018 5.327 ( -0.000 -1.759 -3.994) 4.365 6.042 ( -0.000 0.599 -2.450) 2.522 6.155 ( -0.000 -1.427 -10.654) 10.749 6.330 ( 0.000 -4.111 3.202) 5.211 6.442 ( -0.000 -10.239 -7.151) 12.489 6.758 ( 0.000 3.581 3.088) 4.728 7.165 ( 0.000 -14.579 7.435) 16.366 11.716 ( 0.000 -2.103 -0.051) 2.103 12.223 ( -0.000 4.790 -5.017) 6.936 12.631 ( -0.000 -0.434 -0.254) 0.503 13.071 ( 0.000 4.134 2.550) 4.857 15.593 ( 0.000 -2.994 1.548) 3.371 15.655 ( 0.000 -6.033 2.515) 6.537 16.364 ( -0.000 1.640 -1.619) 2.304 16.452 ( -0.000 2.850 0.205) 2.858 16.836 ( 0.000 -0.192 3.677) 3.682 17.390 ( -0.000 -1.636 -1.353) 2.123 27.431 ( 0.000 -1.419 1.006) 1.739 27.475 ( -0.000 0.865 -1.074) 1.379 29.073 ( -0.000 0.313 -0.270) 0.414 29.497 ( 0.000 0.836 0.259) 0.875 29.820 ( -0.000 7.026 -4.710) 8.459 30.181 ( 0.000 11.569 3.770) 12.168 31.084 ( -0.000 0.322 -5.824) 5.833 32.139 ( 0.000 -23.050 6.219) 23.874 ======================= Grid point 319 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 8.230 8.686 0.162) 11.967 2.810 ( 1.692 4.357 3.374) 5.764 2.965 ( 2.775 10.314 4.650) 11.649 3.072 ( 5.723 10.754 1.765) 12.309 3.233 ( 1.098 5.116 -6.660) 8.470 3.311 ( -2.975 13.265 1.520) 13.679 3.751 ( 4.019 7.095 -7.478) 11.064 3.961 ( 7.020 -5.494 2.041) 9.145 4.043 ( 0.458 -6.386 -4.650) 7.913 4.250 ( -4.938 -0.281 4.089) 6.417 4.553 ( 0.183 -1.105 7.714) 7.795 4.704 ( 1.719 -3.298 0.176) 3.723 4.891 ( -3.050 2.410 1.822) 4.293 5.127 ( -2.922 3.567 -4.518) 6.456 5.274 ( -1.822 0.601 -0.546) 1.995 5.964 ( -6.009 0.136 -4.286) 7.382 6.127 ( 0.830 -1.716 -7.002) 7.256 6.278 ( -1.819 -4.139 1.967) 4.930 6.366 ( 3.782 -6.074 -3.770) 8.087 6.804 ( -0.843 4.132 3.721) 5.624 7.066 ( -0.491 -10.680 5.748) 12.139 11.711 ( 1.692 -1.611 -0.271) 2.352 12.206 ( -3.308 2.682 -5.619) 7.050 12.653 ( 3.017 0.057 -0.277) 3.030 13.093 ( -2.765 2.378 2.542) 4.446 15.574 ( -0.406 -2.722 2.552) 3.753 15.612 ( -0.149 -3.951 1.286) 4.158 16.375 ( 0.708 1.486 -1.498) 2.226 16.513 ( 3.625 2.213 0.855) 4.332 16.849 ( 0.104 -0.265 1.908) 1.929 17.356 ( -2.243 -0.414 -0.126) 2.284 27.410 ( -0.494 -1.691 -0.465) 1.822 27.493 ( 0.464 1.645 0.770) 1.874 29.094 ( 2.109 0.420 0.050) 2.151 29.458 ( -4.350 0.611 -0.490) 4.420 29.933 ( 8.867 3.831 -5.702) 11.217 30.312 ( -0.628 10.531 7.431) 12.904 31.051 ( -1.583 2.357 -7.372) 7.899 31.901 ( -5.470 -20.575 4.511) 21.763 ======================= Grid point 320 (115/146) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 11.333 4.049 0.065) 12.035 2.877 ( -0.290 5.058 2.255) 5.545 3.164 ( 8.022 2.511 6.244) 10.471 3.240 ( 4.670 4.101 -1.840) 6.482 3.316 ( 4.742 7.163 -1.805) 8.778 3.364 ( -1.519 7.683 0.502) 7.848 3.822 ( 0.101 -1.324 -3.464) 3.710 3.917 ( 0.197 -3.746 -8.171) 8.991 4.125 ( 0.394 -0.533 -1.066) 1.255 4.168 ( 8.411 -3.158 3.370) 9.595 4.570 ( -2.967 -10.960 10.461) 15.439 4.660 ( 1.002 0.754 -3.100) 3.344 4.857 ( -4.096 -2.164 -1.954) 5.027 5.002 ( -10.423 6.668 -2.947) 12.720 5.335 ( 2.064 5.987 3.298) 7.140 5.847 ( -5.372 -0.076 -2.714) 6.019 6.061 ( -2.326 -1.702 -5.140) 5.893 6.229 ( -1.740 -2.644 3.216) 4.512 6.391 ( 4.006 -0.604 -3.472) 5.336 6.838 ( -0.787 1.980 3.437) 4.044 7.004 ( 0.219 -4.855 2.772) 5.595 11.738 ( 2.956 -0.855 0.053) 3.077 12.119 ( -5.234 -0.226 -4.732) 7.059 12.729 ( 5.431 0.745 -0.423) 5.498 13.049 ( -5.081 0.423 2.032) 5.489 15.549 ( -0.718 -2.392 2.684) 3.666 15.587 ( -0.543 -0.571 -0.190) 0.810 16.403 ( 1.717 0.820 -1.004) 2.151 16.616 ( 5.469 1.541 1.173) 5.802 16.844 ( -0.988 -0.471 0.206) 1.114 17.314 ( -2.650 0.603 0.787) 2.829 27.383 ( -0.633 -1.277 -0.571) 1.535 27.524 ( 0.680 1.667 1.028) 2.073 29.147 ( 3.344 0.545 0.311) 3.403 29.379 ( -4.465 -0.245 -0.896) 4.561 30.113 ( 11.901 0.811 -5.185) 13.006 30.424 ( -1.748 8.487 8.909) 12.428 31.019 ( -1.899 4.903 -7.775) 9.386 31.610 ( -8.661 -16.955 2.874) 19.255 ======================= Grid point 330 (116/146) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -0.000 4.376 0.215) 4.381 2.854 ( 0.000 2.864 6.895) 7.466 3.048 ( 0.000 5.103 2.053) 5.501 3.102 ( -0.000 6.820 -1.718) 7.033 3.245 ( -0.000 3.979 -2.564) 4.733 3.481 ( 0.000 8.339 5.283) 9.872 3.716 ( -0.000 4.529 -7.057) 8.385 3.877 ( 0.000 -1.456 2.418) 2.823 3.900 ( -0.000 -11.647 -12.454) 17.051 4.348 ( 0.000 1.543 6.260) 6.447 4.521 ( 0.000 -5.643 4.500) 7.218 4.675 ( -0.000 -2.272 -0.899) 2.444 4.934 ( 0.000 0.332 1.367) 1.407 5.181 ( -0.000 3.827 -2.317) 4.474 5.311 ( -0.000 4.543 -0.516) 4.572 6.044 ( -0.000 1.909 -2.391) 3.059 6.058 ( -0.000 2.127 -8.954) 9.203 6.244 ( -0.000 -3.168 -3.927) 5.046 6.281 ( 0.000 -3.672 3.076) 4.790 6.867 ( 0.000 2.654 4.954) 5.620 7.000 ( 0.000 -8.363 5.638) 10.086 11.678 ( -0.000 -1.212 -0.943) 1.536 12.225 ( -0.000 1.506 -7.808) 7.952 12.624 ( -0.000 -0.040 -0.135) 0.141 13.151 ( 0.000 1.242 3.026) 3.271 15.572 ( 0.000 -1.095 2.674) 2.889 15.584 ( 0.000 -3.148 2.532) 4.040 16.367 ( -0.000 0.660 -2.595) 2.677 16.512 ( 0.000 2.044 2.344) 3.110 16.845 ( 0.000 -1.563 1.192) 1.965 17.382 ( 0.000 0.849 0.970) 1.289 27.394 ( -0.000 -1.434 -1.025) 1.763 27.513 ( 0.000 1.753 1.805) 2.516 29.080 ( 0.000 0.441 0.235) 0.500 29.504 ( -0.000 -0.050 -0.333) 0.337 29.847 ( -0.000 1.695 -6.849) 7.055 30.451 ( 0.000 8.054 10.662) 13.362 31.058 ( -0.000 4.951 -10.647) 11.741 31.780 ( 0.000 -17.511 3.765) 17.911 ======================= Grid point 331 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 7.999 -0.274 0.028) 8.004 2.928 ( 2.093 1.620 7.026) 7.508 3.081 ( 2.503 -2.429 1.675) 3.869 3.165 ( 4.146 -2.375 -0.927) 4.867 3.299 ( 2.741 4.015 -1.882) 5.213 3.476 ( -3.535 -0.652 -1.633) 3.948 3.705 ( -0.255 -6.149 -9.302) 11.154 3.860 ( 5.682 5.365 -4.084) 8.817 3.946 ( 7.762 -0.848 3.205) 8.440 4.264 ( -9.020 -1.790 3.642) 9.891 4.536 ( 1.689 -7.823 7.512) 10.976 4.625 ( -0.752 -3.326 -5.892) 6.808 4.919 ( -2.931 1.789 2.247) 4.104 5.159 ( -4.328 2.777 -3.502) 6.222 5.380 ( 1.979 5.380 1.995) 6.070 5.950 ( -7.013 1.856 -3.293) 7.967 6.093 ( -1.332 8.764 -6.238) 10.840 6.249 ( -0.781 -2.556 4.033) 4.838 6.278 ( 5.183 -0.158 -4.532) 6.887 6.897 ( -1.364 0.640 5.829) 6.021 6.966 ( 0.719 -3.682 3.674) 5.251 11.682 ( 2.134 -0.633 -0.872) 2.391 12.164 ( -3.408 -0.398 -7.908) 8.620 12.654 ( 3.320 0.219 -0.201) 3.334 13.139 ( -3.422 -0.414 2.839) 4.465 15.561 ( -1.030 -1.061 3.131) 3.462 15.590 ( 0.406 0.234 1.638) 1.703 16.369 ( 1.258 -0.161 -2.488) 2.792 16.567 ( 2.883 1.306 3.004) 4.364 16.833 ( 0.572 -2.348 -0.009) 2.416 17.380 ( -2.399 1.815 1.758) 3.484 27.376 ( -0.281 -0.953 -0.908) 1.346 27.540 ( 0.210 1.595 1.889) 2.482 29.105 ( 2.128 0.413 0.410) 2.206 29.451 ( -4.594 -0.572 -1.057) 4.749 29.907 ( 8.983 -0.958 -5.636) 10.647 30.562 ( -0.923 4.888 12.686) 13.627 31.055 ( -0.847 7.444 -13.239) 15.212 31.598 ( -5.430 -13.006 3.128) 14.436 ======================= Grid point 342 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.000 -4.609 -0.063) 4.609 2.873 ( 0.000 -11.834 6.983) 13.741 3.032 ( 0.000 -13.264 -1.902) 13.400 3.106 ( 0.000 3.735 1.698) 4.103 3.272 ( -0.000 -4.671 -2.198) 5.162 3.350 ( -0.000 -10.187 -16.239) 19.169 3.776 ( 0.000 0.916 8.626) 8.675 3.806 ( -0.000 9.553 -5.254) 10.903 3.905 ( 0.000 0.706 5.186) 5.234 4.374 ( 0.000 -3.006 4.223) 5.184 4.454 ( 0.000 -4.516 2.902) 5.368 4.572 ( -0.000 -3.752 -4.741) 6.046 4.990 ( 0.000 5.028 2.529) 5.628 5.191 ( -0.000 -0.589 -2.709) 2.773 5.383 ( -0.000 0.648 -0.563) 0.859 6.072 ( -0.000 3.036 -2.283) 3.798 6.095 ( -0.000 4.134 -10.004) 10.825 6.251 ( 0.000 -2.148 3.224) 3.874 6.294 ( -0.000 16.265 -0.542) 16.274 6.937 ( 0.000 -0.536 5.368) 5.394 6.951 ( 0.000 -1.580 4.594) 4.859 11.655 ( -0.000 0.045 -1.375) 1.376 12.146 ( -0.000 -1.334 -9.075) 9.173 12.627 ( -0.000 0.408 -0.086) 0.417 13.168 ( 0.000 -2.488 2.915) 3.833 15.586 ( 0.000 0.970 2.339) 2.532 15.599 ( 0.000 0.934 3.380) 3.506 16.343 ( -0.000 -0.303 -3.245) 3.259 16.569 ( 0.000 0.482 4.416) 4.442 16.792 ( 0.000 -4.122 -0.592) 4.164 17.433 ( 0.000 2.645 2.284) 3.495 27.367 ( -0.000 -0.443 -0.774) 0.891 27.562 ( 0.000 1.283 1.984) 2.363 29.093 ( 0.000 0.486 0.505) 0.701 29.489 ( -0.000 -0.981 -0.644) 1.174 29.771 ( -0.000 -3.247 -5.981) 6.806 30.668 ( 0.000 1.867 15.491) 15.603 31.070 ( -0.000 8.232 -16.387) 18.338 31.560 ( 0.000 -7.188 2.330) 7.556 ======================= Grid point 403 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 -0.000 3.452) 3.452 1.207 ( 0.000 -0.000 3.452) 3.452 1.370 ( 0.000 -0.000 11.313) 11.313 1.370 ( 0.000 -0.000 11.313) 11.313 2.599 ( 0.000 -0.000 54.981) 54.981 3.201 ( -0.000 0.000 -22.459) 22.459 3.201 ( -0.000 0.000 -22.459) 22.459 3.212 ( -0.000 0.000 -1.228) 1.228 4.209 ( 0.000 -0.000 1.646) 1.646 4.209 ( 0.000 -0.000 1.646) 1.646 4.471 ( 0.000 -0.000 0.911) 0.911 4.486 ( 0.000 -0.000 7.625) 7.625 4.980 ( 0.000 -0.000 2.230) 2.230 4.980 ( 0.000 -0.000 2.230) 2.230 5.555 ( -0.000 0.000 -7.732) 7.732 6.146 ( -0.000 0.000 -3.228) 3.228 6.146 ( -0.000 0.000 -3.228) 3.228 6.492 ( 0.000 -0.000 2.506) 2.506 6.492 ( 0.000 -0.000 2.506) 2.506 7.051 ( -0.000 0.000 -4.550) 4.550 8.495 ( -0.000 0.000 -11.293) 11.293 11.814 ( 0.000 -0.000 2.324) 2.324 11.814 ( 0.000 -0.000 2.324) 2.324 12.668 ( -0.000 0.000 -0.395) 0.395 12.668 ( -0.000 0.000 -0.395) 0.395 15.856 ( -0.000 0.000 -1.285) 1.285 15.856 ( -0.000 0.000 -1.285) 1.285 16.202 ( 0.000 -0.000 0.983) 0.983 16.202 ( 0.000 -0.000 0.983) 0.983 17.151 ( 0.000 -0.000 8.900) 8.900 17.742 ( -0.000 0.000 -4.587) 4.587 27.481 ( -0.000 0.000 -0.682) 0.682 27.579 ( -0.000 0.000 -0.773) 0.773 29.078 ( -0.000 0.000 -1.474) 1.474 29.078 ( -0.000 0.000 -1.474) 1.474 29.402 ( 0.000 -0.000 1.652) 1.652 29.402 ( 0.000 -0.000 1.652) 1.652 31.252 ( 0.000 -0.000 1.678) 1.678 33.617 ( 0.000 -0.000 0.222) 0.222 ======================= Grid point 404 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 11.077 6.395 -12.700) 18.025 1.504 ( 18.211 10.514 9.189) 22.948 1.594 ( 9.764 5.637 25.116) 27.530 1.640 ( 18.526 10.696 1.184) 21.425 2.899 ( 4.491 2.593 42.861) 43.174 3.045 ( -2.255 -1.302 -16.563) 16.766 3.221 ( 9.855 5.690 -21.879) 24.661 3.295 ( 5.872 3.390 -7.035) 9.771 4.207 ( 0.342 0.197 0.751) 0.849 4.226 ( -0.023 -0.013 0.615) 0.616 4.486 ( -3.305 -1.908 7.762) 8.650 4.514 ( 3.432 1.982 1.366) 4.192 4.960 ( -2.295 -1.325 1.626) 3.109 5.064 ( 5.373 3.102 1.301) 6.339 5.484 ( -2.563 -1.480 -8.421) 8.926 6.119 ( -1.023 -0.591 -2.415) 2.688 6.208 ( 5.920 3.418 -3.460) 7.662 6.449 ( -3.682 -2.126 1.561) 4.529 6.508 ( -0.294 -0.169 1.706) 1.739 7.004 ( -2.701 -1.559 -3.559) 4.732 8.315 ( -10.533 -6.081 -8.537) 14.859 11.810 ( -1.187 -0.685 2.190) 2.583 11.857 ( 2.172 1.254 2.043) 3.235 12.661 ( -0.390 -0.225 -0.341) 0.564 12.714 ( 3.895 2.249 -0.019) 4.497 15.845 ( 0.433 0.250 -0.971) 1.092 15.847 ( -0.978 -0.565 -1.567) 1.931 16.198 ( 0.139 0.080 1.324) 1.334 16.255 ( 3.202 1.849 0.126) 3.700 17.097 ( -6.982 -4.031 10.664) 13.368 17.673 ( -3.552 -2.051 -5.256) 6.667 27.457 ( -1.513 -0.874 0.092) 1.750 27.568 ( -0.520 -0.300 -1.067) 1.224 29.069 ( -0.063 -0.037 -1.212) 1.214 29.159 ( 5.904 3.409 -0.650) 6.849 29.420 ( 0.761 0.439 1.382) 1.638 29.550 ( 12.018 6.938 -4.127) 14.478 31.239 ( -1.782 -1.029 1.060) 2.315 33.402 ( -17.278 -9.976 6.239) 20.904 ======================= Grid point 405 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 16.269 9.393 -9.496) 21.049 1.977 ( 14.116 8.150 19.787) 25.636 2.000 ( 19.697 11.372 16.580) 28.146 2.115 ( 23.294 13.449 -4.771) 27.318 2.956 ( 0.817 0.472 -14.441) 14.471 3.071 ( 3.419 1.974 -3.850) 5.514 3.398 ( 5.822 3.361 -7.217) 9.863 3.493 ( 14.975 8.646 13.204) 21.756 4.212 ( -1.279 -0.739 -0.932) 1.747 4.230 ( 1.798 1.038 -1.140) 2.368 4.408 ( -6.823 -3.939 8.376) 11.499 4.634 ( 6.248 3.607 2.455) 7.621 4.893 ( -4.079 -2.355 1.081) 4.833 5.183 ( 3.996 2.307 -0.006) 4.614 5.379 ( -3.342 -1.930 -6.587) 7.635 6.080 ( -1.510 -0.872 -1.760) 2.477 6.283 ( -3.627 -2.094 1.750) 4.539 6.412 ( 5.219 3.013 -5.848) 8.397 6.495 ( -1.378 -0.796 0.841) 1.800 6.897 ( -5.025 -2.901 -2.964) 6.515 7.987 ( -15.276 -8.820 -4.369) 18.173 11.782 ( -2.070 -1.195 1.918) 3.065 11.919 ( 2.282 1.318 2.707) 3.778 12.649 ( -0.528 -0.305 -0.215) 0.646 12.833 ( 6.220 3.591 0.509) 7.200 15.802 ( -2.169 -1.252 -2.093) 3.264 15.850 ( -0.232 -0.134 -0.471) 0.542 16.217 ( 0.851 0.491 1.942) 2.176 16.337 ( 4.086 2.359 -1.101) 4.845 16.993 ( -5.473 -3.160 8.280) 10.416 17.555 ( -4.344 -2.508 -5.293) 7.292 27.428 ( -1.145 -0.661 0.839) 1.566 27.548 ( -0.671 -0.388 -1.781) 1.943 29.065 ( 0.173 0.100 -0.894) 0.917 29.314 ( 7.296 4.212 2.016) 8.662 29.446 ( 1.003 0.579 1.050) 1.563 29.825 ( 13.940 8.048 -8.517) 18.211 31.182 ( -3.379 -1.951 -0.193) 3.906 32.993 ( -21.229 -12.257 10.306) 26.592 ======================= Grid point 406 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 15.433 8.910 -4.782) 18.451 2.383 ( 14.827 8.560 11.646) 20.706 2.505 ( 17.964 10.371 14.067) 25.063 2.614 ( 20.850 12.038 -0.401) 24.079 2.952 ( 4.077 2.354 -10.976) 11.943 3.123 ( 6.718 3.879 -14.558) 16.496 3.481 ( 3.982 2.299 -5.628) 7.268 3.915 ( 14.290 8.250 15.203) 22.437 4.156 ( -2.932 -1.693 -3.076) 4.574 4.256 ( -3.989 -2.303 2.819) 5.400 4.292 ( -1.011 -0.584 6.695) 6.796 4.789 ( -2.846 -1.643 -2.199) 3.954 4.811 ( 5.389 3.112 6.482) 8.986 5.199 ( -2.661 -1.537 -3.845) 4.922 5.300 ( -1.330 -0.768 -1.595) 2.215 6.039 ( -1.324 -0.765 -1.201) 1.944 6.144 ( -7.155 -4.131 0.846) 8.305 6.455 ( -2.309 -1.333 -0.118) 2.668 6.483 ( -0.509 -0.294 -5.439) 5.470 6.809 ( 0.714 0.412 -3.879) 3.966 7.613 ( -16.172 -9.337 -0.902) 18.695 11.739 ( -2.434 -1.405 1.628) 3.248 11.986 ( 2.210 1.276 4.266) 4.971 12.636 ( -0.513 -0.296 -0.063) 0.596 12.983 ( 6.573 3.795 0.351) 7.598 15.736 ( -2.545 -1.469 -2.814) 4.069 15.810 ( -3.308 -1.910 -0.144) 3.822 16.251 ( 1.131 0.653 2.720) 3.017 16.424 ( 4.212 2.432 -2.247) 5.358 16.935 ( -2.097 -1.211 2.676) 3.609 17.447 ( -3.002 -1.733 -3.697) 5.068 27.413 ( -0.706 -0.407 1.476) 1.686 27.526 ( -0.237 -0.137 -2.561) 2.576 29.068 ( 0.380 0.219 -0.630) 0.768 29.472 ( 0.897 0.518 0.774) 1.293 29.494 ( 7.102 4.100 4.104) 9.170 30.088 ( 12.797 7.389 -7.445) 16.547 31.092 ( -4.058 -2.343 -1.267) 4.853 32.563 ( -20.588 -11.887 8.845) 25.365 ======================= Grid point 407 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 10.447 6.032 -1.715) 12.185 2.726 ( 12.001 6.929 2.764) 14.131 2.895 ( 11.156 6.441 6.410) 14.388 2.987 ( 11.650 6.726 3.051) 13.794 3.035 ( 6.594 3.807 -7.727) 10.848 3.310 ( 14.691 8.482 -9.519) 19.452 3.526 ( 1.573 0.908 0.218) 1.829 3.970 ( -11.344 -6.549 8.138) 15.421 4.055 ( -3.887 -2.244 -5.749) 7.294 4.342 ( 5.103 2.946 -2.130) 6.266 4.431 ( 11.211 6.473 14.666) 19.562 4.679 ( -4.894 -2.825 -0.632) 5.686 4.993 ( 6.686 3.860 4.807) 9.094 5.072 ( -5.387 -3.110 -5.605) 8.373 5.270 ( -1.277 -0.737 0.406) 1.529 6.004 ( -5.342 -3.084 2.251) 6.566 6.015 ( -0.374 -0.216 -0.498) 0.659 6.348 ( -7.109 -4.104 -3.497) 8.923 6.392 ( -2.905 -1.677 -1.155) 3.548 6.876 ( 4.930 2.847 -4.968) 7.556 7.278 ( -12.807 -7.394 0.219) 14.790 11.693 ( -2.105 -1.215 1.419) 2.814 12.055 ( 1.677 0.968 6.210) 6.505 12.626 ( -0.330 -0.190 0.058) 0.385 13.116 ( 4.891 2.824 -0.591) 5.679 15.668 ( -2.088 -1.205 -3.433) 4.195 15.712 ( -4.579 -2.644 -1.063) 5.393 16.290 ( 1.019 0.588 3.337) 3.539 16.502 ( 3.691 2.131 -3.180) 5.317 16.904 ( -1.492 -0.861 -0.632) 1.835 17.397 ( -0.318 -0.184 -2.105) 2.136 27.401 ( -1.083 -0.625 1.448) 1.913 27.521 ( 0.970 0.560 -2.589) 2.821 29.076 ( 0.485 0.280 -0.472) 0.732 29.491 ( 0.478 0.276 0.609) 0.821 29.656 ( 5.026 2.902 5.285) 7.850 30.341 ( 12.211 7.050 -4.767) 14.884 30.997 ( -3.668 -2.118 -1.077) 4.371 32.155 ( -18.132 -10.469 4.913) 21.506 ======================= Grid point 408 (124/146) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 3.398 1.962 -0.504) 3.956 2.935 ( 6.665 3.848 -4.357) 8.844 3.072 ( 3.918 2.262 2.250) 5.053 3.104 ( 0.298 0.172 -5.826) 5.837 3.209 ( 6.264 3.617 3.098) 7.869 3.533 ( -0.116 -0.067 -0.177) 0.222 3.605 ( 5.113 2.952 7.871) 9.839 3.757 ( -4.725 -2.728 5.522) 7.762 3.951 ( -2.084 -1.203 -7.597) 7.969 4.409 ( 1.477 0.853 -2.188) 2.774 4.566 ( -4.663 -2.692 -1.877) 5.702 4.629 ( -0.683 -0.394 5.604) 5.659 4.966 ( -1.118 -0.646 -3.472) 3.704 5.136 ( 3.817 2.204 4.235) 6.112 5.301 ( 4.676 2.700 0.742) 5.450 5.960 ( 1.111 0.642 5.459) 5.607 6.023 ( 1.084 0.626 0.693) 1.430 6.209 ( -3.351 -1.935 0.475) 3.899 6.318 ( -2.824 -1.630 -2.227) 3.949 6.939 ( 2.482 1.433 -5.202) 5.939 7.054 ( -6.631 -3.828 -1.994) 7.912 11.661 ( -1.165 -0.673 1.334) 1.895 12.113 ( 0.483 0.279 8.008) 8.028 12.623 ( -0.006 -0.003 0.111) 0.112 13.186 ( 1.602 0.925 -1.916) 2.663 15.617 ( -0.865 -0.499 -3.655) 3.789 15.618 ( -2.664 -1.538 -2.163) 3.760 16.324 ( 0.522 0.301 3.533) 3.584 16.556 ( 2.404 1.388 -3.923) 4.806 16.857 ( -2.348 -1.356 -0.513) 2.760 17.402 ( 1.332 0.769 -1.971) 2.500 27.381 ( -1.080 -0.623 0.915) 1.546 27.541 ( 1.507 0.870 -2.082) 2.713 29.085 ( 0.485 0.280 -0.431) 0.707 29.498 ( -0.159 -0.092 0.567) 0.596 29.758 ( 1.508 0.871 5.822) 6.077 30.583 ( 10.473 6.047 -6.625) 13.789 30.939 ( -0.962 -0.556 4.693) 4.823 31.803 ( -13.858 -8.001 0.472) 16.009 ======================= Grid point 415 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -0.000 13.928 -13.054) 19.089 1.483 ( -0.000 30.156 -11.677) 32.337 1.660 ( 0.000 8.048 26.687) 27.874 1.742 ( 0.000 13.413 21.930) 25.707 2.967 ( -0.000 -1.565 -19.414) 19.477 3.020 ( -0.000 3.849 -8.614) 9.435 3.183 ( 0.000 10.427 27.392) 29.309 3.278 ( -0.000 6.925 -5.083) 8.590 4.191 ( 0.000 -2.300 1.755) 2.893 4.240 ( -0.000 0.861 -0.321) 0.919 4.516 ( 0.000 3.494 1.315) 3.734 4.529 ( 0.000 -2.753 7.814) 8.285 4.987 ( 0.000 -1.267 1.046) 1.643 5.049 ( 0.000 4.503 1.161) 4.650 5.446 ( -0.000 -1.287 -10.598) 10.676 6.113 ( -0.000 -0.749 -2.669) 2.772 6.187 ( -0.000 6.490 -2.773) 7.058 6.484 ( 0.000 -2.026 2.392) 3.135 6.492 ( 0.000 -2.342 -0.565) 2.409 6.997 ( -0.000 -2.155 -1.877) 2.858 8.261 ( -0.000 -13.219 -8.330) 15.625 11.824 ( 0.000 -1.132 1.920) 2.228 11.878 ( -0.000 4.575 1.171) 4.723 12.664 ( -0.000 -0.199 -0.412) 0.458 12.709 ( -0.000 4.351 0.143) 4.353 15.807 ( 0.000 -2.892 -0.607) 2.955 15.859 ( -0.000 0.103 -1.098) 1.102 16.226 ( 0.000 2.566 0.804) 2.689 16.241 ( -0.000 2.080 0.315) 2.104 17.130 ( 0.000 -10.160 10.915) 14.912 17.651 ( -0.000 -3.640 -5.677) 6.744 27.458 ( 0.000 -1.480 0.104) 1.483 27.562 ( -0.000 -0.852 -1.044) 1.348 29.070 ( -0.000 0.218 -1.245) 1.264 29.168 ( -0.000 9.531 -1.202) 9.606 29.420 ( 0.000 0.610 1.394) 1.522 29.527 ( -0.000 10.354 -2.477) 10.646 31.246 ( 0.000 -1.944 0.917) 2.150 33.427 ( 0.000 -18.119 4.733) 18.727 ======================= Grid point 416 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 8.890 17.678 -9.690) 22.033 1.879 ( 14.826 26.190 -4.670) 30.455 1.963 ( 9.907 10.816 22.072) 26.502 2.036 ( 7.301 14.812 16.707) 23.490 2.877 ( 0.711 0.885 -17.226) 17.264 3.002 ( 1.606 5.346 -21.168) 21.892 3.349 ( 2.687 7.107 -5.171) 9.190 3.503 ( 7.138 10.442 30.199) 32.741 4.188 ( 1.470 -2.086 0.985) 2.735 4.236 ( -0.848 0.773 -1.604) 1.972 4.500 ( -3.804 -3.821 8.076) 9.710 4.598 ( 3.893 4.650 1.992) 6.384 4.935 ( -3.552 -2.286 0.387) 4.242 5.138 ( 3.942 2.357 0.282) 4.602 5.373 ( -1.833 -0.483 -9.027) 9.223 6.083 ( -1.031 -1.140 -1.986) 2.511 6.285 ( 3.398 5.800 -1.739) 6.943 6.401 ( -3.456 -1.660 -3.034) 4.889 6.492 ( 0.539 -2.343 0.342) 2.428 6.934 ( -3.718 -3.721 -0.462) 5.281 8.023 ( -6.561 -16.036 -5.080) 18.056 11.811 ( -1.010 -1.219 1.552) 2.217 11.933 ( 0.291 4.755 0.908) 4.850 12.657 ( -0.351 0.056 -0.300) 0.466 12.790 ( 3.443 5.094 0.637) 6.181 15.781 ( 0.406 -3.504 -0.908) 3.642 15.848 ( -0.277 -0.668 -0.413) 0.833 16.237 ( -0.736 2.222 1.210) 2.635 16.305 ( 2.952 3.568 -0.683) 4.681 17.043 ( -2.996 -9.955 9.508) 14.088 17.562 ( -2.755 -3.614 -5.445) 7.093 27.439 ( -0.690 -1.018 0.678) 1.404 27.543 ( -0.446 -1.101 -1.472) 1.891 29.070 ( 0.065 0.744 -0.947) 1.206 29.279 ( 2.178 7.488 0.701) 7.830 29.465 ( 2.043 3.896 1.200) 4.560 29.685 ( 8.013 10.337 -5.762) 14.292 31.207 ( -2.101 -2.777 0.043) 3.482 33.156 ( -11.421 -19.964 7.211) 24.104 ======================= Grid point 417 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 12.240 17.685 -5.182) 22.123 2.336 ( 9.902 11.484 15.061) 21.372 2.386 ( 17.639 16.537 8.109) 25.502 2.432 ( 15.411 15.840 5.461) 22.764 2.864 ( 3.491 3.719 -13.170) 14.124 3.000 ( 3.550 5.997 -19.940) 21.123 3.445 ( 3.056 6.837 -4.788) 8.889 3.867 ( 9.916 8.321 20.992) 24.663 4.188 ( -1.655 -0.101 -0.636) 1.776 4.228 ( 1.473 0.451 -3.092) 3.454 4.412 ( -6.232 -3.662 9.966) 12.311 4.749 ( 6.677 5.118 2.903) 8.899 4.838 ( -4.392 -3.460 -0.188) 5.594 5.178 ( 0.471 -2.755 -2.966) 4.075 5.309 ( -1.618 0.423 -3.705) 4.065 6.039 ( -1.343 -2.045 -1.743) 3.004 6.221 ( -6.149 -3.784 -1.057) 7.298 6.437 ( 0.767 0.035 -2.926) 3.025 6.496 ( 2.085 4.455 -1.317) 5.092 6.806 ( -4.413 -5.121 -1.026) 6.837 7.706 ( -10.093 -15.480 -2.001) 18.588 11.782 ( -2.164 -0.562 1.163) 2.520 11.991 ( 1.100 3.266 2.262) 4.122 12.652 ( -0.674 0.761 -0.097) 1.021 12.915 ( 5.362 3.910 0.644) 6.667 15.733 ( -1.211 -3.319 -1.777) 3.955 15.823 ( -1.287 -2.745 -0.013) 3.032 16.262 ( 0.467 1.940 1.852) 2.722 16.391 ( 3.015 4.427 -1.500) 5.562 16.951 ( -1.948 -5.964 4.266) 7.587 17.456 ( -2.916 -3.113 -3.679) 5.633 27.427 ( -0.523 -0.340 1.430) 1.561 27.515 ( -0.441 -0.987 -2.237) 2.484 29.077 ( -0.174 1.499 -0.587) 1.619 29.372 ( 3.732 -0.039 1.588) 4.056 29.577 ( 1.425 10.863 2.690) 11.282 29.917 ( 11.682 8.206 -6.985) 15.893 31.127 ( -3.489 -3.117 -0.696) 4.730 32.761 ( -15.845 -18.966 7.005) 25.687 ======================= Grid point 418 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 9.513 15.211 -2.191) 18.074 2.645 ( 8.654 8.570 6.096) 13.620 2.808 ( 12.237 9.308 6.451) 16.673 2.863 ( 14.498 11.304 3.434) 18.702 2.954 ( 5.678 7.810 -7.018) 11.937 3.097 ( 11.078 7.735 -13.848) 19.347 3.542 ( 2.299 7.132 -1.282) 7.602 4.077 ( -1.432 -1.217 4.868) 5.218 4.122 ( -6.624 -0.718 0.869) 6.720 4.255 ( 4.280 0.304 -1.157) 4.444 4.419 ( 3.668 4.517 12.908) 14.158 4.735 ( -3.375 -2.359 -0.178) 4.121 4.932 ( 6.951 4.584 2.717) 8.759 5.077 ( -3.804 -6.233 -5.411) 9.089 5.278 ( -1.197 -1.629 -0.035) 2.022 5.979 ( -0.862 -4.378 -2.167) 4.961 6.098 ( -5.215 -0.869 1.838) 5.597 6.385 ( -2.105 -3.094 -2.050) 4.267 6.475 ( -8.162 -0.381 0.572) 8.191 6.780 ( 5.657 0.446 -4.368) 7.161 7.383 ( -10.710 -12.070 -0.794) 16.156 11.741 ( -2.888 0.280 0.884) 3.033 12.055 ( 2.038 1.215 4.479) 5.068 12.649 ( -1.077 1.682 0.113) 2.001 13.040 ( 5.677 1.535 -0.265) 5.887 15.668 ( -1.738 -2.560 -2.297) 3.854 15.742 ( -3.535 -4.382 -0.842) 5.692 16.305 ( 0.873 2.157 2.303) 3.274 16.474 ( 2.271 4.675 -1.963) 5.556 16.901 ( -0.484 -2.490 -0.367) 2.563 17.383 ( -0.860 -2.458 -1.590) 3.051 27.420 ( -0.984 -0.608 1.873) 2.201 27.498 ( 0.667 0.040 -2.694) 2.775 29.087 ( -0.423 1.984 -0.368) 2.061 29.424 ( 3.540 -3.005 1.132) 4.780 29.728 ( 0.545 12.004 4.588) 12.863 30.169 ( 12.837 6.809 -6.019) 15.729 31.032 ( -3.582 -2.844 -0.249) 4.580 32.335 ( -16.283 -17.166 4.199) 24.030 ======================= Grid point 419 (129/146) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 3.174 11.263 -0.720) 11.724 2.841 ( 6.619 3.867 -1.643) 7.840 3.046 ( 5.694 8.306 -3.203) 10.568 3.089 ( 3.290 7.763 -3.312) 9.058 3.156 ( 7.778 6.286 4.550) 10.987 3.348 ( 13.195 2.004 -3.445) 13.784 3.670 ( 2.766 9.340 3.530) 10.361 3.924 ( -11.669 -6.258 9.194) 16.121 4.012 ( -6.638 3.392 -3.275) 8.142 4.300 ( 3.673 -5.064 -3.063) 6.966 4.587 ( 2.344 1.273 4.690) 5.395 4.705 ( -3.395 2.962 -0.463) 4.529 4.930 ( 0.105 -5.293 -4.323) 6.835 5.072 ( 5.078 -1.516 3.267) 6.225 5.269 ( 2.589 1.496 0.578) 3.045 5.929 ( 1.539 -4.764 0.571) 5.039 6.039 ( -2.880 -0.727 5.088) 5.892 6.300 ( -4.660 0.262 -0.300) 4.677 6.339 ( -4.570 -2.319 -0.743) 5.179 6.866 ( 4.728 1.116 -4.999) 6.971 7.121 ( -8.151 -6.844 -2.018) 10.833 11.703 ( -2.651 0.985 0.791) 2.937 12.119 ( 2.175 -0.986 6.619) 7.036 12.650 ( -1.384 2.538 0.234) 2.900 13.123 ( 4.212 -1.157 -1.706) 4.689 15.611 ( -1.237 -1.264 -2.734) 3.256 15.633 ( -3.187 -3.555 -1.828) 5.112 16.347 ( 0.202 2.030 2.520) 3.242 16.536 ( 1.132 4.135 -2.484) 4.955 16.870 ( -0.880 -1.162 -1.129) 1.843 17.363 ( 1.496 -1.742 -1.166) 2.575 27.397 ( -1.297 -1.033 1.138) 2.011 27.514 ( 1.545 0.985 -2.001) 2.713 29.097 ( -0.598 2.145 -0.322) 2.250 29.448 ( 2.712 -3.791 0.944) 4.755 29.853 ( -1.715 10.149 5.439) 11.641 30.418 ( 12.007 5.626 -6.820) 14.911 30.969 ( -1.281 -1.463 3.766) 4.238 31.929 ( -13.955 -14.760 0.412) 20.317 ======================= Grid point 427 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -0.000 19.630 -7.921) 21.168 2.038 ( -0.000 32.252 -3.543) 32.446 2.094 ( 0.000 12.210 22.156) 25.297 2.208 ( 0.000 15.918 15.278) 22.063 2.800 ( -0.000 1.795 -16.684) 16.780 2.956 ( -0.000 8.552 -22.856) 24.404 3.380 ( -0.000 8.329 -5.497) 9.980 3.691 ( 0.000 10.795 27.776) 29.800 4.150 ( 0.000 -3.717 1.898) 4.173 4.245 ( -0.000 1.443 -2.404) 2.804 4.530 ( 0.000 -4.064 7.164) 8.237 4.618 ( 0.000 4.295 2.804) 5.129 4.959 ( -0.000 -1.054 -1.161) 1.568 5.112 ( -0.000 0.133 0.012) 0.134 5.353 ( -0.000 1.257 -8.091) 8.188 6.072 ( -0.000 -1.155 -1.895) 2.219 6.308 ( -0.000 4.391 -2.339) 4.975 6.397 ( -0.000 -0.440 -6.345) 6.360 6.458 ( 0.000 -2.864 2.414) 3.746 6.926 ( 0.000 -5.086 -0.007) 5.086 7.881 ( 0.000 -19.286 -2.098) 19.400 11.806 ( 0.000 -2.143 1.076) 2.398 11.992 ( -0.000 6.506 -1.085) 6.596 12.654 ( -0.000 -0.484 -0.395) 0.624 12.828 ( -0.000 6.803 1.036) 6.882 15.738 ( 0.000 -3.909 0.403) 3.930 15.837 ( 0.000 -1.998 0.306) 2.022 16.284 ( -0.000 2.403 -0.649) 2.489 16.303 ( -0.000 4.367 0.224) 4.373 17.001 ( 0.000 -11.241 9.061) 14.438 17.525 ( -0.000 -3.797 -4.851) 6.160 27.439 ( 0.000 -0.753 0.830) 1.121 27.527 ( -0.000 -1.583 -1.458) 2.153 29.065 ( -0.000 0.235 -0.869) 0.900 29.392 ( -0.000 13.200 -0.405) 13.207 29.449 ( 0.000 1.153 0.954) 1.497 29.714 ( -0.000 11.783 -3.891) 12.409 31.193 ( 0.000 -3.482 -0.582) 3.531 33.065 ( 0.000 -23.557 6.236) 24.368 ======================= Grid point 428 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 9.062 19.504 -4.075) 21.889 2.381 ( 7.763 12.776 17.147) 22.749 2.400 ( 7.181 25.039 4.869) 26.499 2.459 ( 4.294 16.946 7.145) 18.886 2.782 ( 3.103 4.191 -12.934) 13.946 2.952 ( 0.751 9.844 -19.700) 22.036 3.455 ( 2.002 8.347 -5.277) 10.076 3.932 ( 3.593 8.329 19.173) 21.210 4.146 ( 2.906 -3.312 1.115) 4.545 4.241 ( -1.250 2.471 -3.242) 4.264 4.494 ( -2.926 -3.359 6.653) 8.007 4.705 ( 4.129 1.923 4.151) 6.163 4.899 ( -4.677 1.007 -2.512) 5.403 5.118 ( 1.374 -3.478 -1.183) 3.922 5.325 ( -1.277 1.149 -4.597) 4.907 6.037 ( -1.736 -1.892 -1.838) 3.158 6.246 ( -2.489 -4.687 -4.603) 7.025 6.422 ( -0.563 -0.844 -0.795) 1.289 6.482 ( 4.245 6.337 -1.028) 7.696 6.823 ( -4.478 -7.729 -0.800) 8.969 7.653 ( -4.298 -18.465 0.996) 18.985 11.790 ( 0.113 -2.022 0.690) 2.140 12.039 ( -0.834 5.709 -1.268) 5.907 12.655 ( 0.734 -0.028 -0.300) 0.793 12.910 ( 1.286 5.887 1.151) 6.135 15.703 ( -0.099 -3.936 0.250) 3.945 15.809 ( -0.646 -3.639 0.922) 3.809 16.290 ( -0.657 2.406 0.075) 2.495 16.380 ( 3.015 4.517 -0.832) 5.494 16.930 ( -1.034 -7.582 5.734) 9.562 17.451 ( -2.044 -3.359 -3.301) 5.134 27.437 ( -0.179 -0.011 1.364) 1.376 27.500 ( -0.342 -1.691 -1.837) 2.520 29.076 ( 1.154 0.600 -0.536) 1.406 29.392 ( -3.348 3.238 0.304) 4.668 29.629 ( 7.352 10.693 0.728) 12.997 29.842 ( 3.576 10.847 -3.396) 11.915 31.136 ( -1.918 -3.694 -1.247) 4.345 32.785 ( -8.160 -23.549 5.254) 25.471 ======================= Grid point 429 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 10.610 17.861 -1.277) 20.814 2.656 ( 3.454 8.519 5.654) 10.793 2.735 ( 10.837 10.863 6.981) 16.858 2.806 ( 9.765 19.275 2.448) 21.746 2.900 ( 8.060 9.356 -2.853) 12.674 3.004 ( 3.078 10.727 -14.240) 18.092 3.562 ( 3.291 8.494 -3.141) 9.635 4.100 ( 1.431 1.218 8.659) 8.861 4.186 ( 3.337 -1.208 -2.041) 4.094 4.210 ( -2.902 0.724 -0.311) 3.007 4.483 ( 0.166 3.116 7.205) 7.851 4.737 ( -1.716 -5.112 1.968) 5.740 4.905 ( 3.216 6.953 -0.293) 7.666 5.046 ( -3.073 -6.660 -3.350) 8.064 5.284 ( -1.795 -1.616 -1.213) 2.703 5.955 ( -2.781 -4.157 -2.408) 5.550 6.162 ( -2.394 -1.175 -0.562) 2.725 6.371 ( -1.539 -3.743 -1.053) 4.182 6.614 ( -5.318 3.005 1.929) 6.406 6.656 ( 3.903 -4.965 -3.921) 7.434 7.399 ( -6.780 -14.624 1.193) 16.163 11.776 ( -0.490 -0.828 0.400) 1.042 12.069 ( -0.237 2.950 0.333) 2.978 12.674 ( 0.712 1.520 -0.065) 1.680 12.986 ( 2.104 2.714 0.504) 3.471 15.657 ( -1.054 -3.234 -0.280) 3.413 15.743 ( -2.401 -5.280 0.209) 5.804 16.318 ( 0.898 2.566 0.525) 2.769 16.477 ( 3.111 5.163 -0.803) 6.081 16.880 ( -0.589 -3.253 1.459) 3.613 17.372 ( -1.978 -2.973 -1.313) 3.805 27.440 ( -0.867 -0.565 2.200) 2.431 27.475 ( 0.499 -0.284 -2.543) 2.607 29.104 ( 0.947 1.581 -0.221) 1.856 29.379 ( -0.391 -0.007 0.338) 0.517 29.855 ( 3.828 13.231 3.164) 14.132 30.014 ( 8.347 7.606 -4.264) 12.071 31.054 ( -2.741 -3.320 -1.004) 4.420 32.403 ( -12.287 -21.843 3.078) 25.250 ======================= Grid point 430 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 5.835 15.519 -0.466) 16.586 2.781 ( 4.119 3.592 -0.197) 5.469 3.023 ( 7.489 13.344 -3.085) 15.610 3.103 ( 4.235 10.729 -2.142) 11.731 3.120 ( 7.640 8.121 6.964) 13.146 3.169 ( 10.292 7.330 -4.477) 13.405 3.706 ( 4.302 8.379 1.139) 9.487 4.055 ( -6.484 -5.308 3.160) 8.955 4.143 ( -2.734 0.812 1.788) 3.366 4.228 ( -0.750 1.137 -2.832) 3.142 4.596 ( 1.323 5.387 1.428) 5.728 4.718 ( 5.298 -0.176 2.894) 6.039 4.859 ( -5.816 -9.970 -5.597) 12.828 5.002 ( 1.554 -2.496 1.998) 3.555 5.250 ( 0.986 0.571 0.260) 1.169 5.871 ( -0.693 -4.603 -0.287) 4.664 6.113 ( -3.450 -1.754 3.839) 5.451 6.299 ( -1.415 -3.678 -2.732) 4.795 6.449 ( -6.651 -2.773 1.991) 7.476 6.772 ( 5.276 2.808 -2.867) 6.629 7.166 ( -6.792 -8.877 -0.906) 11.214 11.758 ( -1.740 0.907 0.045) 1.963 12.095 ( 1.431 -1.004 2.796) 3.297 12.704 ( -0.410 3.651 0.261) 3.684 13.035 ( 2.820 -1.326 -0.841) 3.228 15.608 ( -1.258 -1.901 -1.014) 2.494 15.640 ( -3.082 -4.669 -0.683) 5.636 16.366 ( 1.156 2.529 0.724) 2.873 16.567 ( 1.178 5.809 -0.634) 5.962 16.856 ( 0.071 -1.450 -0.657) 1.594 17.323 ( -0.100 -2.558 -0.327) 2.581 27.412 ( -1.299 -1.564 0.694) 2.149 27.493 ( 1.307 1.382 -1.008) 2.153 29.131 ( -0.183 2.692 -0.170) 2.704 29.378 ( 1.436 -2.518 0.525) 2.946 30.026 ( -1.462 13.497 5.098) 14.502 30.232 ( 12.216 5.011 -5.786) 14.416 30.986 ( -1.429 -2.226 1.438) 3.011 31.991 ( -12.943 -19.365 0.167) 23.293 ======================= Grid point 439 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.000 18.849 -1.986) 18.953 2.512 ( 0.000 12.098 15.006) 19.275 2.607 ( 0.000 14.427 14.778) 20.652 2.654 ( -0.000 29.095 -3.463) 29.301 2.745 ( -0.000 5.653 -9.742) 11.263 2.968 ( -0.000 11.459 -16.550) 20.130 3.491 ( -0.000 8.053 -5.718) 9.877 4.054 ( 0.000 5.892 12.999) 14.272 4.079 ( 0.000 -5.577 2.430) 6.083 4.267 ( -0.000 3.364 -4.098) 5.302 4.514 ( 0.000 -0.671 1.821) 1.940 4.692 ( 0.000 -1.543 4.799) 5.041 4.960 ( -0.000 4.650 -3.969) 6.113 5.067 ( 0.000 -4.777 2.268) 5.288 5.325 ( -0.000 0.513 -4.125) 4.157 6.037 ( -0.000 -0.860 -1.294) 1.554 6.179 ( -0.000 -5.454 -6.702) 8.641 6.418 ( 0.000 -3.494 2.408) 4.243 6.488 ( -0.000 4.721 -3.189) 5.698 6.783 ( 0.000 -6.688 -1.007) 6.763 7.521 ( 0.000 -18.066 4.515) 18.621 11.763 ( 0.000 -2.623 0.034) 2.623 12.095 ( -0.000 5.878 -3.604) 6.895 12.640 ( -0.000 -0.561 -0.306) 0.639 12.974 ( -0.000 6.575 1.400) 6.722 15.670 ( 0.000 -3.853 1.597) 4.171 15.781 ( 0.000 -4.900 1.854) 5.239 16.318 ( -0.000 2.150 -1.733) 2.762 16.386 ( -0.000 3.881 0.229) 3.888 16.900 ( 0.000 -5.211 5.204) 7.365 17.426 ( -0.000 -2.803 -2.250) 3.594 27.448 ( 0.000 0.672 1.293) 1.457 27.477 ( -0.000 -2.081 -1.418) 2.518 29.064 ( -0.000 0.346 -0.380) 0.514 29.478 ( 0.000 1.156 0.377) 1.216 29.623 ( -0.000 10.946 -3.798) 11.587 29.942 ( -0.000 13.383 1.879) 13.514 31.107 ( -0.000 -3.772 -2.131) 4.333 32.634 ( 0.000 -24.779 3.615) 25.041 ======================= Grid point 440 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 8.650 16.137 0.121) 18.309 2.703 ( 2.333 7.309 0.334) 7.680 2.767 ( 2.599 12.124 9.072) 15.364 2.872 ( 6.322 10.627 2.704) 12.657 2.938 ( 1.803 23.672 0.331) 23.743 3.028 ( 0.957 12.000 -9.790) 15.517 3.568 ( 3.100 7.779 -4.843) 9.674 4.078 ( 4.839 -4.830 1.656) 7.035 4.129 ( 0.082 -1.057 4.581) 4.702 4.252 ( -2.314 0.971 -1.793) 3.084 4.528 ( -0.205 4.565 -0.840) 4.646 4.714 ( 2.223 -2.503 2.668) 4.281 4.956 ( -3.174 2.450 0.462) 4.036 5.031 ( -1.101 -2.100 -0.596) 2.445 5.291 ( -1.652 -1.530 -2.281) 3.205 5.974 ( -4.303 -2.457 -1.727) 5.248 6.135 ( 1.994 -2.328 -4.159) 5.167 6.367 ( -2.252 -3.916 1.183) 4.669 6.509 ( 3.955 -7.089 -4.288) 9.181 6.729 ( -3.053 3.192 2.972) 5.324 7.348 ( -3.217 -15.334 4.110) 16.198 11.749 ( 1.260 -2.270 -0.178) 2.602 12.115 ( -1.422 4.141 -4.017) 5.942 12.652 ( 2.005 -0.028 -0.264) 2.022 13.029 ( -1.254 4.945 1.327) 5.272 15.640 ( -0.373 -3.248 1.680) 3.676 15.725 ( -1.409 -5.840 1.613) 6.220 16.330 ( 0.375 2.240 -1.338) 2.636 16.457 ( 3.442 3.714 0.320) 5.074 16.877 ( -0.760 -2.143 2.955) 3.729 17.378 ( -1.903 -2.024 -0.816) 2.896 27.446 ( -0.425 -2.121 -1.138) 2.444 27.465 ( 0.206 1.389 1.315) 1.924 29.084 ( 1.864 0.563 -0.051) 1.948 29.435 ( -4.351 1.538 -0.473) 4.639 29.796 ( 9.701 7.495 -4.745) 13.145 30.091 ( -0.315 13.807 4.687) 14.584 31.049 ( -1.361 -3.292 -2.445) 4.320 32.351 ( -6.490 -23.507 1.790) 24.452 ======================= Grid point 451 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.000 12.959 0.937) 12.992 2.759 ( -0.000 8.108 -0.699) 8.138 2.912 ( 0.000 9.990 8.188) 12.917 2.921 ( 0.000 10.639 2.910) 11.029 3.069 ( -0.000 12.043 -8.672) 14.841 3.197 ( -0.000 21.110 5.264) 21.756 3.575 ( -0.000 5.695 -6.293) 8.488 3.987 ( 0.000 -6.208 4.126) 7.454 4.077 ( -0.000 -9.255 -5.699) 10.869 4.305 ( 0.000 4.163 2.927) 5.089 4.592 ( -0.000 9.229 -6.837) 11.486 4.650 ( 0.000 -5.516 3.436) 6.499 4.993 ( 0.000 -5.794 5.555) 8.026 5.054 ( -0.000 7.295 -3.839) 8.243 5.283 ( -0.000 -1.305 -1.981) 2.372 6.018 ( -0.000 0.031 -0.986) 0.987 6.044 ( -0.000 -3.264 -4.904) 5.891 6.359 ( -0.000 -9.115 -4.240) 10.053 6.368 ( 0.000 -3.777 2.293) 4.419 6.810 ( 0.000 4.831 4.375) 6.517 7.249 ( 0.000 -14.354 4.314) 14.988 11.709 ( -0.000 -2.354 -0.872) 2.510 12.142 ( -0.000 3.421 -6.311) 7.179 12.628 ( -0.000 -0.379 -0.185) 0.422 13.101 ( 0.000 4.859 1.656) 5.133 15.624 ( 0.000 -2.752 2.797) 3.923 15.689 ( 0.000 -5.831 2.239) 6.246 16.333 ( -0.000 1.469 -2.780) 3.144 16.466 ( 0.000 3.496 1.879) 3.969 16.880 ( 0.000 -1.514 2.616) 3.022 17.381 ( 0.000 -0.655 0.176) 0.678 27.423 ( -0.000 -1.835 -1.550) 2.402 27.487 ( 0.000 1.538 2.179) 2.667 29.071 ( -0.000 0.491 0.114) 0.504 29.497 ( -0.000 0.633 -0.202) 0.664 29.738 ( -0.000 6.135 -6.377) 8.849 30.261 ( 0.000 14.164 6.567) 15.612 31.016 ( -0.000 -2.735 -3.565) 4.493 32.186 ( 0.000 -22.387 0.577) 22.395 ======================= Grid point 537 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 0.000 -14.117) 14.117 1.048 ( -0.000 0.000 -14.117) 14.117 1.724 ( 0.000 -0.000 28.459) 28.459 1.724 ( 0.000 -0.000 28.459) 28.459 2.874 ( -0.000 0.000 -24.578) 24.578 2.874 ( -0.000 0.000 -24.578) 24.578 3.197 ( -0.000 0.000 -0.924) 0.924 3.283 ( 0.000 -0.000 42.663) 42.663 4.228 ( 0.000 -0.000 1.041) 1.041 4.228 ( 0.000 -0.000 1.041) 1.041 4.482 ( 0.000 -0.000 0.681) 0.681 4.596 ( 0.000 -0.000 8.310) 8.310 5.003 ( 0.000 -0.000 1.083) 1.083 5.003 ( 0.000 -0.000 1.083) 1.083 5.396 ( -0.000 0.000 -15.206) 15.206 6.110 ( -0.000 0.000 -1.942) 1.942 6.110 ( -0.000 0.000 -1.942) 1.942 6.520 ( 0.000 -0.000 1.492) 1.492 6.520 ( 0.000 -0.000 1.492) 1.492 7.009 ( -0.000 0.000 -1.424) 1.424 8.345 ( -0.000 0.000 -9.811) 9.811 11.844 ( 0.000 -0.000 1.787) 1.787 11.844 ( 0.000 -0.000 1.787) 1.787 12.663 ( -0.000 0.000 -0.327) 0.327 12.663 ( -0.000 0.000 -0.327) 0.327 15.840 ( -0.000 0.000 -0.920) 0.920 15.840 ( -0.000 0.000 -0.920) 0.920 16.214 ( 0.000 -0.000 0.690) 0.690 16.214 ( 0.000 -0.000 0.690) 0.690 17.282 ( 0.000 -0.000 9.753) 9.753 17.665 ( -0.000 0.000 -6.461) 6.461 27.474 ( -0.000 0.000 -0.329) 0.329 27.568 ( -0.000 0.000 -0.746) 0.746 29.061 ( -0.000 0.000 -0.999) 0.999 29.061 ( -0.000 0.000 -0.999) 0.999 29.421 ( 0.000 -0.000 1.135) 1.135 29.421 ( 0.000 -0.000 1.135) 1.135 31.272 ( 0.000 -0.000 1.234) 1.234 33.620 ( 0.000 -0.000 0.194) 0.194 ======================= Grid point 538 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 12.771 7.373 -10.179) 17.919 1.377 ( 27.354 15.793 -11.232) 33.523 1.937 ( 8.331 4.810 26.008) 27.730 1.949 ( 7.135 4.119 25.422) 26.724 2.764 ( 0.875 0.505 -22.674) 22.697 2.818 ( 4.071 2.351 -24.835) 25.276 3.240 ( 3.812 2.201 -2.101) 4.877 3.522 ( 5.388 3.111 33.527) 34.099 4.216 ( -0.585 -0.338 0.470) 0.823 4.230 ( -0.661 -0.382 -0.029) 0.764 4.530 ( 3.874 2.237 0.800) 4.544 4.597 ( -3.292 -1.901 8.377) 9.199 4.978 ( -2.324 -1.342 1.022) 2.872 5.079 ( 5.123 2.958 1.120) 6.020 5.321 ( -0.223 -0.129 -14.565) 14.567 6.092 ( -0.861 -0.497 -1.391) 1.709 6.168 ( 5.691 3.286 -2.075) 6.892 6.458 ( -5.138 -2.966 0.012) 5.933 6.524 ( -0.604 -0.349 0.576) 0.904 6.982 ( -2.417 -1.396 0.206) 2.799 8.200 ( -8.564 -4.944 -7.242) 12.257 11.836 ( -1.219 -0.704 1.496) 2.054 11.881 ( 2.251 1.300 1.276) 2.896 12.657 ( -0.338 -0.195 -0.167) 0.424 12.714 ( 4.264 2.462 -0.034) 4.924 15.827 ( -1.306 -0.754 -1.393) 2.053 15.836 ( 0.510 0.294 -0.266) 0.646 16.216 ( 0.507 0.293 1.282) 1.410 16.254 ( 2.612 1.508 -0.293) 3.030 17.238 ( -7.083 -4.089 9.423) 12.477 17.591 ( -3.274 -1.890 -6.375) 7.411 27.459 ( -1.035 -0.598 0.151) 1.205 27.554 ( -0.843 -0.487 -0.877) 1.310 29.056 ( 0.030 0.017 -0.644) 0.644 29.151 ( 7.150 4.128 -0.476) 8.270 29.435 ( 0.668 0.386 0.759) 1.083 29.517 ( 8.021 4.631 -1.232) 9.343 31.251 ( -2.263 -1.307 0.700) 2.706 33.460 ( -13.451 -7.766 2.562) 15.742 ======================= Grid point 539 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 18.209 10.513 -5.153) 21.648 2.002 ( 29.570 17.072 -4.280) 34.411 2.249 ( 9.803 5.660 19.037) 22.148 2.303 ( 13.760 7.944 20.337) 25.807 2.722 ( 4.024 2.323 -18.646) 19.216 2.814 ( 5.456 3.150 -22.202) 23.079 3.333 ( 5.135 2.965 -2.282) 6.354 3.823 ( 9.601 5.543 21.453) 24.148 4.196 ( -2.197 -1.268 -1.370) 2.883 4.211 ( 0.500 0.289 -1.696) 1.792 4.530 ( -5.842 -3.373 8.643) 10.964 4.654 ( 6.480 3.741 0.445) 7.496 4.913 ( -3.697 -2.134 1.711) 4.599 5.180 ( 1.916 1.106 -1.364) 2.599 5.268 ( 0.966 0.557 -7.507) 7.590 6.061 ( -1.348 -0.778 -0.877) 1.787 6.294 ( -4.380 -2.529 0.500) 5.082 6.338 ( 5.236 3.023 -4.272) 7.402 6.498 ( -1.708 -0.986 -0.375) 2.008 6.892 ( -5.817 -3.359 1.631) 6.912 7.920 ( -13.323 -7.692 -4.588) 16.053 11.804 ( -2.105 -1.215 1.172) 2.699 11.950 ( 3.252 1.878 1.932) 4.224 12.647 ( -0.475 -0.274 0.012) 0.548 12.839 ( 6.365 3.675 0.277) 7.355 15.773 ( -2.588 -1.494 -1.969) 3.578 15.845 ( -0.189 -0.109 -0.295) 0.367 16.245 ( 1.289 0.744 1.963) 2.463 16.322 ( 3.525 2.035 -1.060) 4.206 17.086 ( -8.269 -4.774 4.486) 10.549 17.489 ( -3.356 -1.938 -3.690) 5.351 27.440 ( -0.682 -0.394 0.815) 1.134 27.525 ( -1.238 -0.715 -1.391) 1.994 29.057 ( 0.233 0.135 -0.324) 0.421 29.344 ( 9.018 5.206 2.283) 10.660 29.456 ( 0.946 0.546 0.421) 1.171 29.737 ( 12.020 6.940 -4.478) 14.584 31.181 ( -3.927 -2.267 0.160) 4.538 33.091 ( -19.684 -11.365 4.152) 23.105 ======================= Grid point 540 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 16.806 9.703 -2.212) 19.531 2.542 ( 9.622 5.555 10.314) 15.160 2.619 ( 23.988 13.850 1.523) 27.741 2.695 ( 13.510 7.800 10.990) 19.082 2.776 ( 7.223 4.170 -13.491) 15.861 2.891 ( 10.136 5.852 -14.068) 18.300 3.445 ( 5.174 2.987 0.597) 6.004 4.105 ( 6.413 3.703 8.086) 10.965 4.115 ( -4.171 -2.408 -2.819) 5.581 4.229 ( 2.443 1.411 -1.802) 3.348 4.453 ( -2.706 -1.562 10.497) 10.952 4.749 ( -0.891 -0.514 -3.460) 3.610 4.895 ( 3.835 2.214 5.405) 6.987 5.129 ( -3.597 -2.077 -5.920) 7.232 5.290 ( 0.550 0.317 0.711) 0.953 6.030 ( -1.086 -0.627 -0.144) 1.262 6.137 ( -6.180 -3.568 -0.211) 7.140 6.444 ( -2.664 -1.538 -1.353) 3.361 6.457 ( 0.923 0.533 0.956) 1.432 6.778 ( -2.391 -1.380 -0.648) 2.835 7.579 ( -14.711 -8.493 -3.648) 17.374 11.757 ( -2.425 -1.400 0.945) 2.956 12.043 ( 3.600 2.079 3.972) 5.750 12.637 ( -0.481 -0.278 0.143) 0.573 12.985 ( 6.195 3.577 -0.256) 7.158 15.698 ( -2.971 -1.716 -2.513) 4.253 15.802 ( -3.565 -2.059 -1.087) 4.258 16.288 ( 1.537 0.888 2.537) 3.096 16.398 ( 3.598 2.077 -1.448) 4.400 16.947 ( -4.227 -2.441 -1.256) 5.040 17.414 ( -2.248 -1.298 -0.806) 2.719 27.437 ( -0.325 -0.187 1.798) 1.837 27.491 ( -0.758 -0.438 -2.371) 2.528 29.063 ( 0.379 0.219 -0.138) 0.459 29.479 ( 0.905 0.523 0.225) 1.069 29.558 ( 8.069 4.659 4.974) 10.562 29.999 ( 12.986 7.498 -5.572) 15.997 31.088 ( -4.226 -2.440 0.612) 4.918 32.641 ( -21.033 -12.143 2.565) 24.422 ======================= Grid point 549 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.000 15.839 -8.923) 18.179 1.325 ( -0.000 33.207 -8.475) 34.272 2.029 ( 0.000 5.714 25.987) 26.608 2.079 ( 0.000 8.381 24.545) 25.936 2.670 ( -0.000 2.031 -22.532) 22.623 2.699 ( -0.000 5.658 -24.886) 25.521 3.235 ( -0.000 4.533 -1.658) 4.827 3.659 ( 0.000 4.950 26.310) 26.772 4.212 ( 0.000 -1.950 1.275) 2.330 4.233 ( -0.000 -0.493 -0.825) 0.961 4.531 ( -0.000 4.190 0.734) 4.254 4.640 ( 0.000 -3.281 7.992) 8.640 4.993 ( 0.000 -1.818 0.013) 1.818 5.067 ( 0.000 4.246 1.684) 4.568 5.262 ( -0.000 2.040 -14.584) 14.726 6.087 ( -0.000 -0.898 -1.140) 1.451 6.158 ( -0.000 6.137 -1.287) 6.270 6.474 ( -0.000 -5.453 -1.511) 5.659 6.511 ( 0.000 -1.586 1.459) 2.155 6.992 ( 0.000 -1.558 0.395) 1.607 8.162 ( -0.000 -10.691 -5.134) 11.860 11.845 ( 0.000 -1.269 0.961) 1.592 11.890 ( -0.000 3.494 0.531) 3.534 12.659 ( -0.000 -0.238 -0.309) 0.390 12.711 ( -0.000 4.894 0.169) 4.897 15.804 ( 0.000 -2.509 0.127) 2.512 15.845 ( -0.000 0.491 -0.828) 0.962 16.237 ( 0.000 2.351 0.835) 2.495 16.240 ( -0.000 1.679 -0.333) 1.711 17.270 ( 0.000 -9.892 8.799) 13.239 17.566 ( -0.000 -2.885 -6.143) 6.787 27.460 ( 0.000 -1.015 0.127) 1.023 27.550 ( -0.000 -1.158 -0.656) 1.331 29.057 ( -0.000 0.195 -0.696) 0.723 29.154 ( -0.000 9.666 -0.771) 9.697 29.435 ( 0.000 0.625 0.769) 0.991 29.509 ( -0.000 7.561 -0.486) 7.577 31.255 ( 0.000 -2.541 0.438) 2.578 33.470 ( 0.000 -14.766 1.745) 14.869 ======================= Grid point 550 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 10.517 19.128 -3.939) 22.181 1.793 ( 17.429 30.704 -3.950) 35.526 2.269 ( 6.560 7.585 20.236) 22.584 2.316 ( 5.415 9.198 20.161) 22.812 2.620 ( 2.250 4.796 -18.406) 19.154 2.683 ( 3.055 6.914 -21.678) 22.959 3.301 ( 2.670 5.527 -1.668) 6.360 3.852 ( 4.410 7.065 15.318) 17.435 4.196 ( 0.085 -1.660 0.084) 1.664 4.212 ( -1.092 -0.622 -1.461) 1.927 4.606 ( -3.041 -4.105 5.789) 7.720 4.617 ( 3.657 5.589 0.775) 6.723 4.939 ( -2.794 -3.390 0.104) 4.394 5.142 ( 2.630 0.552 0.232) 2.697 5.241 ( 0.668 4.285 -7.618) 8.766 6.064 ( -0.847 -1.377 -0.688) 1.757 6.268 ( 4.785 7.663 -0.546) 9.051 6.357 ( -4.655 -6.013 -2.331) 7.953 6.498 ( -0.410 -2.099 0.351) 2.167 6.942 ( -3.290 -4.148 0.765) 5.349 7.967 ( -6.600 -13.314 -2.382) 15.049 11.827 ( -0.932 -1.410 0.586) 1.789 11.941 ( 1.441 3.859 0.255) 4.128 12.654 ( -0.167 -0.042 -0.116) 0.208 12.797 ( 3.399 5.600 0.283) 6.557 15.773 ( -0.857 -3.023 -0.314) 3.158 15.844 ( -0.082 -0.121 -0.148) 0.208 16.251 ( 0.172 1.705 0.655) 1.835 16.296 ( 2.385 3.414 -0.462) 4.190 17.148 ( -5.078 -10.787 4.704) 12.817 17.496 ( -1.992 -2.661 -3.262) 4.657 27.447 ( -0.406 -0.612 0.390) 0.832 27.527 ( -0.779 -1.500 -0.702) 1.830 29.061 ( 0.260 0.676 -0.335) 0.798 29.285 ( 3.732 7.897 0.210) 8.737 29.477 ( 2.322 4.267 0.461) 4.880 29.635 ( 5.856 8.589 -1.665) 10.528 31.207 ( -2.183 -3.455 0.014) 4.087 33.219 ( -10.495 -18.226 2.164) 21.142 ======================= Grid point 551 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 12.927 18.495 -0.823) 22.580 2.390 ( 21.778 22.384 0.387) 31.233 2.524 ( 6.003 8.558 8.014) 13.172 2.591 ( 8.694 6.062 0.522) 10.612 2.701 ( 5.823 10.144 -5.346) 12.861 2.757 ( 7.385 7.315 -5.555) 11.786 3.414 ( 4.320 5.941 0.430) 7.358 4.064 ( 6.006 6.115 3.776) 9.366 4.164 ( -2.920 0.271 -2.944) 4.155 4.198 ( 1.292 -0.177 0.947) 1.612 4.524 ( -3.583 -3.362 3.991) 6.330 4.750 ( 2.448 6.329 -2.205) 7.136 4.861 ( 0.390 -4.863 2.848) 5.649 5.127 ( -1.852 -2.344 -3.096) 4.302 5.284 ( 1.222 1.369 0.645) 1.945 6.025 ( -1.234 -2.854 -0.162) 3.113 6.207 ( -5.052 -3.931 0.382) 6.413 6.417 ( 1.898 1.238 -0.190) 2.274 6.482 ( 1.535 3.981 -0.729) 4.329 6.810 ( -5.374 -7.108 1.020) 8.969 7.675 ( -10.823 -13.144 -2.137) 17.160 11.792 ( -2.031 -0.809 0.303) 2.208 12.018 ( 3.231 2.762 1.738) 4.593 12.652 ( -0.518 0.701 0.115) 0.879 12.919 ( 4.970 4.051 -0.153) 6.414 15.713 ( -2.284 -2.707 -1.146) 3.723 15.819 ( -1.872 -2.419 -0.509) 3.101 16.283 ( 1.367 1.360 1.084) 2.212 16.377 ( 2.625 4.430 -0.459) 5.170 16.978 ( -4.855 -6.276 -0.763) 7.971 17.427 ( -1.958 -2.796 -0.172) 3.418 27.445 ( 0.099 0.261 0.725) 0.777 27.490 ( -1.200 -1.592 -0.926) 2.198 29.072 ( -0.079 1.428 -0.029) 1.430 29.389 ( 4.120 -0.786 0.764) 4.263 29.614 ( 2.906 12.262 2.371) 12.823 29.845 ( 10.402 7.647 -3.263) 13.317 31.125 ( -3.192 -3.625 0.357) 4.843 32.815 ( -15.903 -18.675 0.837) 24.543 ======================= Grid point 561 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.000 21.355 -1.833) 21.433 1.983 ( -0.000 36.185 -1.790) 36.229 2.376 ( 0.000 8.782 14.151) 16.654 2.453 ( 0.000 10.420 13.765) 17.264 2.576 ( -0.000 6.015 -11.164) 12.681 2.661 ( -0.000 10.694 -15.150) 18.544 3.330 ( -0.000 6.512 -1.750) 6.744 3.944 ( 0.000 8.883 6.149) 10.803 4.175 ( 0.000 -3.297 1.699) 3.709 4.207 ( -0.000 0.022 -2.230) 2.231 4.599 ( 0.000 -5.419 0.653) 5.458 4.647 ( -0.000 6.232 1.407) 6.389 4.938 ( -0.000 -2.749 -1.778) 3.274 5.126 ( 0.000 -0.417 3.143) 3.171 5.254 ( -0.000 4.859 -4.507) 6.628 6.057 ( -0.000 -1.378 -0.357) 1.423 6.293 ( 0.000 -2.731 0.366) 2.755 6.328 ( -0.000 3.918 -3.061) 4.972 6.485 ( 0.000 -2.410 1.458) 2.817 6.919 ( 0.000 -6.210 -1.459) 6.380 7.875 ( 0.000 -16.000 1.534) 16.073 11.813 ( 0.000 -2.339 -0.052) 2.340 11.974 ( -0.000 5.052 -1.501) 5.271 12.649 ( -0.000 -0.501 -0.246) 0.558 12.839 ( -0.000 7.287 0.410) 7.299 15.750 ( 0.000 -3.499 1.320) 3.740 15.841 ( 0.000 -0.859 0.284) 0.905 16.269 ( -0.000 2.005 -1.461) 2.481 16.309 ( -0.000 3.948 0.720) 4.014 17.095 ( 0.000 -11.785 3.571) 12.314 17.474 ( -0.000 -2.914 -1.790) 3.420 27.446 ( 0.000 -0.378 0.062) 0.383 27.515 ( 0.000 -1.922 -0.098) 1.925 29.056 ( -0.000 0.281 -0.300) 0.411 29.374 ( -0.000 12.515 -1.969) 12.669 29.457 ( 0.000 1.091 0.293) 1.130 29.698 ( -0.000 11.881 1.120) 11.933 31.186 ( 0.000 -4.363 -0.453) 4.387 33.113 ( 0.000 -22.346 0.907) 22.364 ======================= Grid point 672 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.000 0.000 -6.439) 6.439 0.896 ( -0.000 0.000 -6.439) 6.439 2.102 ( 0.000 -0.000 24.842) 24.842 2.102 ( 0.000 -0.000 24.842) 24.842 2.533 ( -0.000 0.000 -23.471) 23.471 2.533 ( -0.000 0.000 -23.471) 23.471 3.188 ( -0.000 0.000 -0.341) 0.341 3.719 ( 0.000 -0.000 17.825) 17.825 4.238 ( 0.000 -0.000 0.364) 0.364 4.238 ( 0.000 -0.000 0.364) 0.364 4.489 ( 0.000 -0.000 0.251) 0.251 4.717 ( 0.000 -0.000 8.148) 8.148 5.012 ( 0.000 -0.000 0.288) 0.288 5.012 ( 0.000 -0.000 0.288) 0.288 5.172 ( -0.000 0.000 -13.711) 13.711 6.092 ( -0.000 0.000 -0.639) 0.639 6.092 ( -0.000 0.000 -0.639) 0.639 6.533 ( 0.000 -0.000 0.494) 0.494 6.533 ( 0.000 -0.000 0.494) 0.494 7.004 ( 0.000 -0.000 0.145) 0.145 8.244 ( -0.000 0.000 -4.038) 4.038 11.861 ( 0.000 -0.000 0.670) 0.670 11.861 ( 0.000 -0.000 0.670) 0.670 12.660 ( -0.000 0.000 -0.128) 0.128 12.660 ( -0.000 0.000 -0.128) 0.128 15.831 ( -0.000 0.000 -0.332) 0.332 15.831 ( -0.000 0.000 -0.332) 0.332 16.220 ( 0.000 -0.000 0.246) 0.246 16.220 ( 0.000 -0.000 0.246) 0.246 17.410 ( 0.000 -0.000 8.033) 8.033 17.569 ( -0.000 0.000 -6.806) 6.806 27.471 ( -0.000 0.000 -0.073) 0.073 27.560 ( -0.000 0.000 -0.319) 0.319 29.052 ( -0.000 0.000 -0.351) 0.351 29.052 ( -0.000 0.000 -0.351) 0.351 29.432 ( 0.000 -0.000 0.401) 0.401 29.432 ( 0.000 -0.000 0.401) 0.401 31.284 ( 0.000 -0.000 0.450) 0.450 33.622 ( 0.000 -0.000 0.077) 0.077 ======================= Grid point 673 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 14.251 8.228 -0.984) 16.486 1.278 ( 28.975 16.729 -2.146) 33.527 2.257 ( 4.541 2.622 11.059) 12.239 2.268 ( 6.317 3.647 15.510) 17.140 2.470 ( 2.935 1.694 -11.673) 12.155 2.502 ( 4.810 2.777 -14.613) 15.633 3.225 ( 3.264 1.884 -0.132) 3.771 3.813 ( 3.672 2.120 5.745) 7.140 4.221 ( -1.209 -0.698 0.514) 1.488 4.226 ( -1.235 -0.713 -0.680) 1.580 4.536 ( 3.936 2.272 0.037) 4.545 4.695 ( -3.786 -2.186 2.971) 5.286 4.989 ( -2.019 -1.165 0.593) 2.405 5.107 ( 6.441 3.719 2.446) 7.830 5.137 ( 0.898 0.519 -7.052) 7.128 6.081 ( -0.820 -0.474 -0.234) 0.976 6.152 ( 5.367 3.098 -0.338) 6.206 6.460 ( -6.003 -3.466 0.480) 6.948 6.524 ( -0.976 -0.563 -0.476) 1.223 6.992 ( -1.630 -0.941 0.571) 1.967 8.136 ( -8.196 -4.732 -1.559) 9.591 11.849 ( -1.187 -0.686 0.316) 1.407 11.892 ( 2.447 1.413 0.354) 2.848 12.656 ( -0.268 -0.155 0.084) 0.321 12.713 ( 4.427 2.556 -0.111) 5.113 15.811 ( -1.744 -1.007 -0.850) 2.186 15.837 ( 0.551 0.318 0.351) 0.726 16.232 ( 0.990 0.572 0.907) 1.459 16.248 ( 2.187 1.263 -0.641) 2.606 17.332 ( -8.791 -5.076 2.002) 10.347 17.521 ( -1.765 -1.019 -1.751) 2.687 27.460 ( -0.777 -0.448 0.049) 0.898 27.546 ( -1.060 -0.612 -0.173) 1.236 29.052 ( 0.111 0.064 0.029) 0.132 29.148 ( 7.939 4.584 0.095) 9.168 29.440 ( 0.592 0.342 -0.005) 0.683 29.508 ( 6.400 3.695 -0.248) 7.394 31.257 ( -2.415 -1.394 0.152) 2.792 33.479 ( -12.134 -7.006 0.333) 14.015 =================== 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 3/51909 10.0 1540.649 1540.649 1412.144 -0.000 -0.000 -0.000 3/51909 20.0 325.546 325.546 307.913 -0.000 -0.000 -0.000 3/51909 30.0 129.117 129.117 106.898 0.000 -0.000 -0.000 3/51909 40.0 71.809 71.809 56.291 0.000 -0.000 -0.000 3/51909 50.0 47.454 47.454 36.846 0.000 -0.000 -0.000 3/51909 60.0 34.817 34.817 27.160 0.000 -0.000 -0.000 3/51909 70.0 27.355 27.355 21.500 0.000 -0.000 -0.000 3/51909 80.0 22.517 22.517 17.821 0.000 -0.000 -0.000 3/51909 90.0 19.154 19.154 15.245 0.000 -0.000 -0.000 3/51909 100.0 16.687 16.687 13.339 0.000 -0.000 -0.000 3/51909 110.0 14.802 14.802 11.871 0.000 -0.000 -0.000 3/51909 120.0 13.314 13.314 10.705 0.000 -0.000 -0.000 3/51909 130.0 12.109 12.109 9.755 0.000 -0.000 -0.000 3/51909 140.0 11.114 11.114 8.966 0.000 -0.000 -0.000 3/51909 150.0 10.276 10.276 8.301 0.000 -0.000 -0.000 3/51909 160.0 9.562 9.562 7.732 0.000 -0.000 -0.000 3/51909 170.0 8.946 8.946 7.240 0.000 -0.000 -0.000 3/51909 180.0 8.409 8.409 6.811 0.000 -0.000 -0.000 3/51909 190.0 7.937 7.937 6.434 0.000 -0.000 -0.000 3/51909 200.0 7.518 7.518 6.100 0.000 -0.000 -0.000 3/51909 210.0 7.144 7.144 5.802 0.000 -0.000 -0.000 3/51909 220.0 6.809 6.809 5.535 0.000 -0.000 -0.000 3/51909 230.0 6.506 6.506 5.294 0.000 -0.000 -0.000 3/51909 240.0 6.231 6.231 5.077 0.000 -0.000 -0.000 3/51909 250.0 5.980 5.980 4.878 0.000 -0.000 -0.000 3/51909 260.0 5.751 5.751 4.697 0.000 -0.000 -0.000 3/51909 270.0 5.540 5.540 4.531 0.000 -0.000 -0.000 3/51909 280.0 5.346 5.346 4.378 0.000 -0.000 -0.000 3/51909 290.0 5.166 5.166 4.237 0.000 -0.000 -0.000 3/51909 300.0 4.999 4.999 4.106 0.000 -0.000 -0.000 3/51909 310.0 4.844 4.844 3.984 0.000 -0.000 -0.000 3/51909 320.0 4.698 4.698 3.870 0.000 -0.000 -0.000 3/51909 330.0 4.562 4.562 3.764 0.000 -0.000 -0.000 3/51909 340.0 4.435 4.435 3.664 0.000 -0.000 -0.000 3/51909 350.0 4.315 4.315 3.571 0.000 -0.000 -0.000 3/51909 360.0 4.202 4.202 3.482 0.000 -0.000 -0.000 3/51909 370.0 4.095 4.095 3.399 0.000 -0.000 -0.000 3/51909 380.0 3.994 3.994 3.320 0.000 -0.000 -0.000 3/51909 390.0 3.898 3.898 3.245 0.000 -0.000 -0.000 3/51909 400.0 3.807 3.807 3.173 0.000 -0.000 -0.000 3/51909 410.0 3.720 3.720 3.106 0.000 -0.000 -0.000 3/51909 420.0 3.638 3.638 3.041 0.000 -0.000 -0.000 3/51909 430.0 3.559 3.559 2.979 0.000 -0.000 -0.000 3/51909 440.0 3.484 3.484 2.920 0.000 -0.000 -0.000 3/51909 450.0 3.412 3.412 2.863 0.000 -0.000 -0.000 3/51909 460.0 3.343 3.343 2.809 0.000 -0.000 -0.000 3/51909 470.0 3.277 3.277 2.757 0.000 -0.000 -0.000 3/51909 480.0 3.213 3.213 2.707 0.000 -0.000 -0.000 3/51909 490.0 3.153 3.153 2.659 0.000 -0.000 -0.000 3/51909 500.0 3.094 3.094 2.612 0.000 -0.000 -0.000 3/51909 510.0 3.038 3.038 2.567 0.000 -0.000 -0.000 3/51909 520.0 2.983 2.983 2.524 0.000 -0.000 -0.000 3/51909 530.0 2.931 2.931 2.483 0.000 -0.000 -0.000 3/51909 540.0 2.881 2.881 2.442 0.000 -0.000 -0.000 3/51909 550.0 2.832 2.832 2.403 -0.000 -0.000 -0.000 3/51909 560.0 2.785 2.785 2.365 -0.000 -0.000 -0.000 3/51909 570.0 2.739 2.739 2.329 -0.000 -0.000 -0.000 3/51909 580.0 2.695 2.695 2.294 -0.000 -0.000 -0.000 3/51909 590.0 2.653 2.653 2.259 -0.000 -0.000 -0.000 3/51909 600.0 2.611 2.611 2.226 -0.000 -0.000 -0.000 3/51909 610.0 2.571 2.571 2.194 -0.000 -0.000 -0.000 3/51909 620.0 2.533 2.533 2.162 -0.000 -0.000 -0.000 3/51909 630.0 2.495 2.495 2.132 -0.000 -0.000 -0.000 3/51909 640.0 2.458 2.458 2.102 -0.000 -0.000 -0.000 3/51909 650.0 2.423 2.423 2.073 -0.000 -0.000 -0.000 3/51909 660.0 2.389 2.389 2.045 -0.000 -0.000 -0.000 3/51909 670.0 2.355 2.355 2.018 -0.000 -0.000 -0.000 3/51909 680.0 2.323 2.323 1.991 -0.000 -0.000 -0.000 3/51909 690.0 2.291 2.291 1.965 -0.000 -0.000 -0.000 3/51909 700.0 2.260 2.260 1.940 -0.000 -0.000 -0.000 3/51909 710.0 2.230 2.230 1.915 -0.000 -0.000 -0.000 3/51909 720.0 2.201 2.201 1.891 -0.000 -0.000 -0.000 3/51909 730.0 2.172 2.172 1.868 -0.000 -0.000 -0.000 3/51909 740.0 2.145 2.145 1.845 -0.000 -0.000 -0.000 3/51909 750.0 2.118 2.118 1.823 -0.000 -0.000 -0.000 3/51909 760.0 2.091 2.091 1.801 -0.000 -0.000 -0.000 3/51909 770.0 2.065 2.065 1.780 -0.000 -0.000 -0.000 3/51909 780.0 2.040 2.040 1.759 -0.000 -0.000 -0.000 3/51909 790.0 2.016 2.016 1.738 -0.000 -0.000 -0.000 3/51909 800.0 1.992 1.992 1.719 -0.000 -0.000 -0.000 3/51909 810.0 1.969 1.969 1.699 -0.000 -0.000 -0.000 3/51909 820.0 1.946 1.946 1.680 -0.000 -0.000 -0.000 3/51909 830.0 1.923 1.923 1.661 -0.000 -0.000 -0.000 3/51909 840.0 1.902 1.902 1.643 -0.000 -0.000 -0.000 3/51909 850.0 1.880 1.880 1.625 -0.000 -0.000 -0.000 3/51909 860.0 1.859 1.859 1.608 -0.000 -0.000 -0.000 3/51909 870.0 1.839 1.839 1.591 -0.000 -0.000 -0.000 3/51909 880.0 1.819 1.819 1.574 -0.000 -0.000 -0.000 3/51909 890.0 1.800 1.800 1.558 -0.000 -0.000 -0.000 3/51909 900.0 1.780 1.780 1.542 -0.000 -0.000 -0.000 3/51909 910.0 1.762 1.762 1.526 -0.000 -0.000 -0.000 3/51909 920.0 1.743 1.743 1.511 -0.000 -0.000 -0.000 3/51909 930.0 1.725 1.725 1.496 -0.000 -0.000 -0.000 3/51909 940.0 1.708 1.708 1.481 -0.000 -0.000 -0.000 3/51909 950.0 1.690 1.690 1.466 -0.000 -0.000 -0.000 3/51909 960.0 1.674 1.674 1.452 -0.000 -0.000 -0.000 3/51909 970.0 1.657 1.657 1.438 -0.000 -0.000 -0.000 3/51909 980.0 1.641 1.641 1.424 -0.000 -0.000 -0.000 3/51909 990.0 1.625 1.625 1.411 -0.000 -0.000 -0.000 3/51909 1000.0 1.609 1.609 1.398 -0.000 -0.000 -0.000 3/51909 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:21:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|