----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:35:48]------------------------- Compiled with OpenMP support (max 32 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 3.066460766838191 1.770421949193452 7.362392856666658 b -3.066460766838185 1.770421949193452 7.362392856666658 c 0.000000000000003 -3.540843898386909 7.362392856666658 Atomic positions (fractional): *1 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 3 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 *4 H 0.30113473860907 0.71983915678465 0.30113473860907 1.008 5 H 0.71983915678465 0.30113473860907 0.30113473860907 1.008 6 H 0.30113473860907 0.30113473860907 0.71983915678465 1.008 7 H 0.69886526139093 0.69886526139094 0.28016084321535 1.008 8 H 0.28016084321535 0.69886526139094 0.69886526139093 1.008 9 H 0.69886526139093 0.28016084321535 0.69886526139093 1.008 *10 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *11 Mg 0.62137480851583 0.62137480851583 0.62137480851583 24.305 12 Mg 0.37862519148417 0.37862519148418 0.37862519148418 24.305 *13 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *14 Cs 0.78605462122180 0.78605462122180 0.78605462122180 132.905 15 Cs 0.21394537877820 0.21394537877820 0.21394537877820 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.132921533676376 0.000000000000000 0.000000000000000 b -3.066460766838188 5.311265847580362 0.000000000000000 c 0.000000000000000 0.000000000000000 22.087178569999999 Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 *4 H 0.52709852727481 0.47290147272520 0.77403621133426 1.008 > 4 5 H 0.94580294545039 0.47290147272519 0.77403621133426 1.008 > 5 6 H 0.52709852727481 0.05419705454961 0.77403621133426 1.008 > 6 7 H 0.80623480605853 0.61246961211706 0.89263045533241 1.008 > 7 8 H 0.38753038788294 0.19376519394147 0.89263045533241 1.008 > 8 9 H 0.80623480605853 0.19376519394147 0.89263045533241 1.008 > 9 10 H 0.16666666666667 0.83333333333333 0.33333333333333 1.008 > 1 11 H 0.66666666666667 0.83333333333333 0.33333333333333 1.008 > 2 12 H 0.16666666666667 0.33333333333333 0.33333333333333 1.008 > 3 13 H 0.19376519394147 0.80623480605853 0.10736954466759 1.008 > 4 14 H 0.61246961211705 0.80623480605853 0.10736954466759 1.008 > 5 15 H 0.19376519394147 0.38753038788294 0.10736954466759 1.008 > 6 16 H 0.47290147272519 0.94580294545039 0.22596378866574 1.008 > 7 17 H 0.05419705454961 0.52709852727481 0.22596378866574 1.008 > 8 18 H 0.47290147272519 0.52709852727480 0.22596378866574 1.008 > 9 19 H 0.83333333333333 0.16666666666667 0.66666666666667 1.008 > 1 20 H 0.33333333333333 0.16666666666667 0.66666666666667 1.008 > 2 21 H 0.83333333333333 0.66666666666667 0.66666666666667 1.008 > 3 22 H 0.86043186060814 0.13956813939186 0.44070287800093 1.008 > 4 23 H 0.27913627878372 0.13956813939186 0.44070287800093 1.008 > 5 24 H 0.86043186060814 0.72086372121628 0.44070287800093 1.008 > 6 25 H 0.13956813939186 0.27913627878372 0.55929712199907 1.008 > 7 26 H 0.72086372121628 0.86043186060814 0.55929712199907 1.008 > 8 27 H 0.13956813939186 0.86043186060814 0.55929712199907 1.008 > 9 *28 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 10 *29 Mg 0.66666666666667 0.33333333333333 0.95470814184916 24.305 > 11 30 Mg 0.66666666666667 0.33333333333333 0.71195852481751 24.305 > 12 31 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 10 32 Mg 0.33333333333333 0.66666666666667 0.28804147518249 24.305 > 11 33 Mg 0.33333333333333 0.66666666666667 0.04529185815084 24.305 > 12 34 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 10 35 Mg 0.00000000000000 0.00000000000000 0.62137480851583 24.305 > 11 36 Mg 0.00000000000000 0.00000000000000 0.37862519148417 24.305 > 12 *37 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 13 *38 Cs 0.00000000000000 0.00000000000000 0.78605462122180 132.905 > 14 39 Cs 0.33333333333333 0.66666666666667 0.88061204544487 132.905 > 15 40 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 13 41 Cs 0.66666666666667 0.33333333333333 0.11938795455513 132.905 > 14 42 Cs 0.00000000000000 0.00000000000000 0.21394537877820 132.905 > 15 43 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 13 44 Cs 0.33333333333333 0.66666666666667 0.45272128788847 132.905 > 14 45 Cs 0.66666666666667 0.33333333333333 0.54727871211153 132.905 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.132921533676376 0.000000000000000 0.000000000000000 b -3.066460766838188 5.311265847580362 0.000000000000000 c 0.000000000000000 0.000000000000000 22.087178569999999 Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 *4 H 0.52709852727481 0.47290147272520 0.77403621133426 1.008 > 4 5 H 0.94580294545039 0.47290147272519 0.77403621133426 1.008 > 5 6 H 0.52709852727481 0.05419705454961 0.77403621133426 1.008 > 6 7 H 0.80623480605853 0.61246961211706 0.89263045533241 1.008 > 7 8 H 0.38753038788294 0.19376519394147 0.89263045533241 1.008 > 8 9 H 0.80623480605853 0.19376519394147 0.89263045533241 1.008 > 9 10 H 0.16666666666667 0.83333333333333 0.33333333333333 1.008 > 1 11 H 0.66666666666667 0.83333333333333 0.33333333333333 1.008 > 2 12 H 0.16666666666667 0.33333333333333 0.33333333333333 1.008 > 3 13 H 0.19376519394147 0.80623480605853 0.10736954466759 1.008 > 4 14 H 0.61246961211705 0.80623480605853 0.10736954466759 1.008 > 5 15 H 0.19376519394147 0.38753038788294 0.10736954466759 1.008 > 6 16 H 0.47290147272519 0.94580294545039 0.22596378866574 1.008 > 7 17 H 0.05419705454961 0.52709852727481 0.22596378866574 1.008 > 8 18 H 0.47290147272519 0.52709852727480 0.22596378866574 1.008 > 9 19 H 0.83333333333333 0.16666666666667 0.66666666666667 1.008 > 1 20 H 0.33333333333333 0.16666666666667 0.66666666666667 1.008 > 2 21 H 0.83333333333333 0.66666666666667 0.66666666666667 1.008 > 3 22 H 0.86043186060814 0.13956813939186 0.44070287800093 1.008 > 4 23 H 0.27913627878372 0.13956813939186 0.44070287800093 1.008 > 5 24 H 0.86043186060814 0.72086372121628 0.44070287800093 1.008 > 6 25 H 0.13956813939186 0.27913627878372 0.55929712199907 1.008 > 7 26 H 0.72086372121628 0.86043186060814 0.55929712199907 1.008 > 8 27 H 0.13956813939186 0.86043186060814 0.55929712199907 1.008 > 9 *28 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 10 *29 Mg 0.66666666666667 0.33333333333333 0.95470814184916 24.305 > 11 30 Mg 0.66666666666667 0.33333333333333 0.71195852481751 24.305 > 12 31 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 10 32 Mg 0.33333333333333 0.66666666666667 0.28804147518249 24.305 > 11 33 Mg 0.33333333333333 0.66666666666667 0.04529185815084 24.305 > 12 34 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 10 35 Mg 0.00000000000000 0.00000000000000 0.62137480851583 24.305 > 11 36 Mg 0.00000000000000 0.00000000000000 0.37862519148417 24.305 > 12 *37 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 13 *38 Cs 0.00000000000000 0.00000000000000 0.78605462122180 132.905 > 14 39 Cs 0.33333333333333 0.66666666666667 0.88061204544487 132.905 > 15 40 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 13 41 Cs 0.66666666666667 0.33333333333333 0.11938795455513 132.905 > 14 42 Cs 0.00000000000000 0.00000000000000 0.21394537877820 132.905 > 15 43 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 13 44 Cs 0.33333333333333 0.66666666666667 0.45272128788847 132.905 > 14 45 Cs 0.66666666666667 0.33333333333333 0.54727871211153 132.905 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8590675 0.0000000 0.0000000 0.0000000 3.8590675 0.0000000 0.0000000 0.0000000 3.8801027 -------------------------- Born effective charges -------------------------- 1 H -1.1553405 0.1827638 0.1558543 0.1827638 -0.9443030 -0.0899825 0.1440016 -0.0831394 -0.9177889 2 H -1.1553405 -0.1827638 -0.1558543 -0.1827638 -0.9443030 -0.0899825 -0.1440016 -0.0831394 -0.9177889 3 H -0.8387843 0.0000000 -0.0000000 -0.0000000 -1.2608592 0.1799650 0.0000000 0.1662787 -0.9177889 4 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 5 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 6 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 7 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 8 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 9 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 10 Mg 1.4041811 0.0000000 0.0000000 -0.0000000 1.4041811 0.0000000 0.0000000 -0.0000000 1.8939690 11 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 12 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 13 Cs 1.1462881 0.0000000 0.0000000 -0.0000000 1.1462881 0.0000000 0.0000000 -0.0000000 1.0874258 14 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 15 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 ---------------------------------------------------------------------------- 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: 135/135 Permutation basis: 3906/3906 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 324 Number of blocks in projector: 259 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: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (324, 306), data: False |-- (82, 76), data: True |-- (98, 94), data: True |-- (144, 136), data: True ----- Solver_atoms: 1 -- 45 / 45 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.066 Solver_block: 160 / 160 - Time: 0.038 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.108 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 135/135 Permutation basis: 3906/3906 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 324 Number of blocks in projector: 259 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: 144 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 98 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 82 Use standard eigh solver. Tree of FC basis block matrices: - (324, 306), data: False |-- (82, 76), data: True |-- (98, 94), data: True |-- (144, 136), 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 2026-01-08 05:35:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:53]------------------------- Compiled with OpenMP support (max 32 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 3.066460766838191 1.770421949193452 7.362392856666658 b -3.066460766838185 1.770421949193452 7.362392856666658 c 0.000000000000003 -3.540843898386909 7.362392856666658 Atomic positions (fractional): 1 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 3 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 4 H 0.30113473860907 0.71983915678465 0.30113473860907 1.008 5 H 0.71983915678465 0.30113473860907 0.30113473860907 1.008 6 H 0.30113473860907 0.30113473860907 0.71983915678465 1.008 7 H 0.69886526139093 0.69886526139094 0.28016084321535 1.008 8 H 0.28016084321535 0.69886526139094 0.69886526139093 1.008 9 H 0.69886526139093 0.28016084321535 0.69886526139093 1.008 10 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 11 Mg 0.62137480851583 0.62137480851583 0.62137480851583 24.305 12 Mg 0.37862519148417 0.37862519148418 0.37862519148418 24.305 13 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 14 Cs 0.78605462122180 0.78605462122180 0.78605462122180 132.905 15 Cs 0.21394537877820 0.21394537877820 0.21394537877820 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.132921533676376 0.000000000000000 0.000000000000000 b -3.066460766838188 5.311265847580362 0.000000000000000 c 0.000000000000000 0.000000000000000 22.087178569999999 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 4 H 0.52709852727481 0.47290147272520 0.77403621133426 1.008 > 4 5 H 0.94580294545039 0.47290147272519 0.77403621133426 1.008 > 5 6 H 0.52709852727481 0.05419705454961 0.77403621133426 1.008 > 6 7 H 0.80623480605853 0.61246961211706 0.89263045533241 1.008 > 7 8 H 0.38753038788294 0.19376519394147 0.89263045533241 1.008 > 8 9 H 0.80623480605853 0.19376519394147 0.89263045533241 1.008 > 9 10 H 0.16666666666667 0.83333333333333 0.33333333333333 1.008 > 1 11 H 0.66666666666667 0.83333333333333 0.33333333333333 1.008 > 2 12 H 0.16666666666667 0.33333333333333 0.33333333333333 1.008 > 3 13 H 0.19376519394147 0.80623480605853 0.10736954466759 1.008 > 4 14 H 0.61246961211705 0.80623480605853 0.10736954466759 1.008 > 5 15 H 0.19376519394147 0.38753038788294 0.10736954466759 1.008 > 6 16 H 0.47290147272519 0.94580294545039 0.22596378866574 1.008 > 7 17 H 0.05419705454961 0.52709852727481 0.22596378866574 1.008 > 8 18 H 0.47290147272519 0.52709852727480 0.22596378866574 1.008 > 9 19 H 0.83333333333333 0.16666666666667 0.66666666666667 1.008 > 1 20 H 0.33333333333333 0.16666666666667 0.66666666666667 1.008 > 2 21 H 0.83333333333333 0.66666666666667 0.66666666666667 1.008 > 3 22 H 0.86043186060814 0.13956813939186 0.44070287800093 1.008 > 4 23 H 0.27913627878372 0.13956813939186 0.44070287800093 1.008 > 5 24 H 0.86043186060814 0.72086372121628 0.44070287800093 1.008 > 6 25 H 0.13956813939186 0.27913627878372 0.55929712199907 1.008 > 7 26 H 0.72086372121628 0.86043186060814 0.55929712199907 1.008 > 8 27 H 0.13956813939186 0.86043186060814 0.55929712199907 1.008 > 9 28 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 28 29 Mg 0.66666666666667 0.33333333333333 0.95470814184916 24.305 > 29 30 Mg 0.66666666666667 0.33333333333333 0.71195852481751 24.305 > 30 31 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 28 32 Mg 0.33333333333333 0.66666666666667 0.28804147518249 24.305 > 29 33 Mg 0.33333333333333 0.66666666666667 0.04529185815084 24.305 > 30 34 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 28 35 Mg 0.00000000000000 0.00000000000000 0.62137480851583 24.305 > 29 36 Mg 0.00000000000000 0.00000000000000 0.37862519148417 24.305 > 30 37 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 37 38 Cs 0.00000000000000 0.00000000000000 0.78605462122180 132.905 > 38 39 Cs 0.33333333333333 0.66666666666667 0.88061204544487 132.905 > 39 40 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 37 41 Cs 0.66666666666667 0.33333333333333 0.11938795455513 132.905 > 38 42 Cs 0.00000000000000 0.00000000000000 0.21394537877820 132.905 > 39 43 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 37 44 Cs 0.33333333333333 0.66666666666667 0.45272128788847 132.905 > 38 45 Cs 0.66666666666667 0.33333333333333 0.54727871211153 132.905 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8590675 0.0000000 0.0000000 0.0000000 3.8590675 0.0000000 0.0000000 0.0000000 3.8801027 -------------------------- Born effective charges -------------------------- 1 H -1.1553405 0.1827638 0.1558543 0.1827638 -0.9443030 -0.0899825 0.1440016 -0.0831394 -0.9177889 2 H -1.1553405 -0.1827638 -0.1558543 -0.1827638 -0.9443030 -0.0899825 -0.1440016 -0.0831394 -0.9177889 3 H -0.8387843 0.0000000 -0.0000000 -0.0000000 -1.2608592 0.1799650 0.0000000 0.1662787 -0.9177889 4 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 5 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 6 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 7 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 8 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 9 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 10 Mg 1.4041811 0.0000000 0.0000000 -0.0000000 1.4041811 0.0000000 0.0000000 -0.0000000 1.8939690 11 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 12 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 13 Cs 1.1462881 0.0000000 0.0000000 -0.0000000 1.1462881 0.0000000 0.0000000 -0.0000000 1.0874258 14 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 15 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 ---------------------------------------------------------------------------- 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[ 4, 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[ 28, 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[ 29, 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[ 37, 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[ 38, 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:35:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:57]------------------------- Compiled with OpenMP support (max 32 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 3.066460766838191 1.770421949193452 7.362392856666658 b -3.066460766838185 1.770421949193452 7.362392856666658 c 0.000000000000003 -3.540843898386909 7.362392856666658 Atomic positions (fractional): 1 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 3 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 4 H 0.30113473860907 0.71983915678465 0.30113473860907 1.008 5 H 0.71983915678465 0.30113473860907 0.30113473860907 1.008 6 H 0.30113473860907 0.30113473860907 0.71983915678465 1.008 7 H 0.69886526139093 0.69886526139094 0.28016084321535 1.008 8 H 0.28016084321535 0.69886526139094 0.69886526139093 1.008 9 H 0.69886526139093 0.28016084321535 0.69886526139093 1.008 10 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 11 Mg 0.62137480851583 0.62137480851583 0.62137480851583 24.305 12 Mg 0.37862519148417 0.37862519148418 0.37862519148418 24.305 13 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 14 Cs 0.78605462122180 0.78605462122180 0.78605462122180 132.905 15 Cs 0.21394537877820 0.21394537877820 0.21394537877820 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.132921533676376 0.000000000000000 0.000000000000000 b -3.066460766838188 5.311265847580362 0.000000000000000 c 0.000000000000000 0.000000000000000 22.087178569999999 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 3 4 H 0.52709852727481 0.47290147272520 0.77403621133426 1.008 > 4 5 H 0.94580294545039 0.47290147272519 0.77403621133426 1.008 > 5 6 H 0.52709852727481 0.05419705454961 0.77403621133426 1.008 > 6 7 H 0.80623480605853 0.61246961211706 0.89263045533241 1.008 > 7 8 H 0.38753038788294 0.19376519394147 0.89263045533241 1.008 > 8 9 H 0.80623480605853 0.19376519394147 0.89263045533241 1.008 > 9 10 H 0.16666666666667 0.83333333333333 0.33333333333333 1.008 > 1 11 H 0.66666666666667 0.83333333333333 0.33333333333333 1.008 > 2 12 H 0.16666666666667 0.33333333333333 0.33333333333333 1.008 > 3 13 H 0.19376519394147 0.80623480605853 0.10736954466759 1.008 > 4 14 H 0.61246961211705 0.80623480605853 0.10736954466759 1.008 > 5 15 H 0.19376519394147 0.38753038788294 0.10736954466759 1.008 > 6 16 H 0.47290147272519 0.94580294545039 0.22596378866574 1.008 > 7 17 H 0.05419705454961 0.52709852727481 0.22596378866574 1.008 > 8 18 H 0.47290147272519 0.52709852727480 0.22596378866574 1.008 > 9 19 H 0.83333333333333 0.16666666666667 0.66666666666667 1.008 > 1 20 H 0.33333333333333 0.16666666666667 0.66666666666667 1.008 > 2 21 H 0.83333333333333 0.66666666666667 0.66666666666667 1.008 > 3 22 H 0.86043186060814 0.13956813939186 0.44070287800093 1.008 > 4 23 H 0.27913627878372 0.13956813939186 0.44070287800093 1.008 > 5 24 H 0.86043186060814 0.72086372121628 0.44070287800093 1.008 > 6 25 H 0.13956813939186 0.27913627878372 0.55929712199907 1.008 > 7 26 H 0.72086372121628 0.86043186060814 0.55929712199907 1.008 > 8 27 H 0.13956813939186 0.86043186060814 0.55929712199907 1.008 > 9 28 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 28 29 Mg 0.66666666666667 0.33333333333333 0.95470814184916 24.305 > 29 30 Mg 0.66666666666667 0.33333333333333 0.71195852481751 24.305 > 30 31 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 28 32 Mg 0.33333333333333 0.66666666666667 0.28804147518249 24.305 > 29 33 Mg 0.33333333333333 0.66666666666667 0.04529185815084 24.305 > 30 34 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 28 35 Mg 0.00000000000000 0.00000000000000 0.62137480851583 24.305 > 29 36 Mg 0.00000000000000 0.00000000000000 0.37862519148417 24.305 > 30 37 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 37 38 Cs 0.00000000000000 0.00000000000000 0.78605462122180 132.905 > 38 39 Cs 0.33333333333333 0.66666666666667 0.88061204544487 132.905 > 39 40 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 37 41 Cs 0.66666666666667 0.33333333333333 0.11938795455513 132.905 > 38 42 Cs 0.00000000000000 0.00000000000000 0.21394537877820 132.905 > 39 43 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 37 44 Cs 0.33333333333333 0.66666666666667 0.45272128788847 132.905 > 38 45 Cs 0.66666666666667 0.33333333333333 0.54727871211153 132.905 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8590675 0.0000000 0.0000000 0.0000000 3.8590675 0.0000000 0.0000000 0.0000000 3.8801027 -------------------------- Born effective charges -------------------------- 1 H -1.1553405 0.1827638 0.1558543 0.1827638 -0.9443030 -0.0899825 0.1440016 -0.0831394 -0.9177889 2 H -1.1553405 -0.1827638 -0.1558543 -0.1827638 -0.9443030 -0.0899825 -0.1440016 -0.0831394 -0.9177889 3 H -0.8387843 0.0000000 -0.0000000 -0.0000000 -1.2608592 0.1799650 0.0000000 0.1662787 -0.9177889 4 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 5 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 6 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 7 H -0.8309458 -0.0000000 0.0000000 -0.0000000 -0.9573726 -0.0234734 0.0000000 0.0212858 -1.0392510 8 H -0.9257659 -0.0547444 0.0203285 -0.0547444 -0.8625525 0.0117367 -0.0184340 -0.0106429 -1.0392510 9 H -0.9257659 0.0547444 -0.0203285 0.0547444 -0.8625525 0.0117367 0.0184340 -0.0106429 -1.0392510 10 Mg 1.4041811 0.0000000 0.0000000 -0.0000000 1.4041811 0.0000000 0.0000000 -0.0000000 1.8939690 11 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 12 Mg 1.7850809 0.0000000 0.0000000 0.0000000 1.7850809 0.0000000 0.0000000 -0.0000000 1.9577078 13 Cs 1.1462881 0.0000000 0.0000000 -0.0000000 1.1462881 0.0000000 0.0000000 -0.0000000 1.0874258 14 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 15 Cs 1.1968947 0.0000000 0.0000000 -0.0000000 1.1968947 0.0000000 0.0000000 -0.0000000 1.0460311 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 ... [ 10 10 10 ] 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: 0.67, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 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 1.701 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 14.658 ( 0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 18.626 ( 0.000 0.000 0.000) 0.000 19.064 ( 0.000 0.000 0.000) 0.000 19.818 ( 0.000 0.000 0.000) 0.000 19.818 ( 0.000 0.000 0.000) 0.000 19.851 ( 0.000 0.000 0.000) 0.000 19.851 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 24.493 ( 0.000 0.000 0.000) 0.000 24.493 ( 0.000 0.000 0.000) 0.000 25.429 ( 0.000 0.000 0.000) 0.000 25.429 ( 0.000 0.000 0.000) 0.000 25.833 ( 0.000 0.000 0.000) 0.000 29.071 ( 0.000 0.000 0.000) 0.000 29.071 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 0.000) 0.000 29.304 ( 0.000 0.000 0.000) 0.000 30.370 ( 0.000 0.000 0.000) 0.000 30.370 ( 0.000 0.000 0.000) 0.000 31.186 ( 0.000 0.000 0.000) 0.000 33.832 ( 0.000 0.000 0.000) 0.000 35.195 ( 0.000 0.000 0.000) 0.000 36.779 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 16.002 9.239 17.594) 25.514 0.585 ( 25.449 14.693 3.165) 29.556 0.672 ( 28.803 16.630 4.933) 33.623 1.699 ( -0.149 -0.086 -0.014) 0.173 1.956 ( -0.477 -0.275 -0.197) 0.585 2.050 ( 1.773 1.024 -3.419) 3.986 2.068 ( 2.824 1.630 -2.575) 4.155 2.157 ( 0.227 0.131 1.905) 1.923 2.157 ( 0.128 0.074 2.316) 2.321 3.676 ( 1.665 0.961 7.916) 8.146 4.803 ( 1.027 0.593 -0.045) 1.187 4.890 ( 3.016 1.741 -1.118) 3.657 5.447 ( -0.166 -0.096 -0.143) 0.239 5.563 ( -0.013 -0.007 -3.225) 3.225 6.766 ( -3.403 -1.965 0.144) 3.932 6.771 ( -2.733 -1.578 -0.244) 3.165 8.926 ( -2.408 -1.390 -5.380) 6.056 11.936 ( 0.505 0.292 2.561) 2.627 14.635 ( -0.458 -0.264 -6.532) 6.553 15.322 ( 2.899 1.674 6.611) 7.410 15.602 ( 4.220 2.437 0.583) 4.908 16.074 ( 13.150 7.592 -8.756) 17.528 18.637 ( 1.176 0.679 -0.806) 1.578 19.019 ( -12.540 -7.240 24.581) 28.528 19.740 ( -0.043 -0.025 -26.061) 26.061 19.894 ( -2.156 -1.245 20.977) 21.124 19.927 ( 9.057 5.229 -14.230) 17.659 20.486 ( -2.015 -1.164 9.112) 9.404 20.728 ( -1.766 -1.020 3.784) 4.299 24.460 ( 5.871 3.390 -37.450) 38.058 24.513 ( 2.164 1.249 -2.177) 3.314 24.522 ( 18.062 10.428 -88.675) 91.094 25.449 ( 1.197 0.691 2.639) 2.979 25.589 ( 9.861 5.693 10.476) 15.472 26.186 ( -33.751 -19.486 136.177) 141.644 29.034 ( -2.797 -1.615 -2.329) 3.982 29.127 ( 5.010 2.893 -0.773) 5.837 29.306 ( -0.347 -0.200 2.288) 2.322 30.075 ( -3.026 -1.747 0.309) 3.508 30.347 ( -2.107 -1.217 0.107) 2.436 31.041 ( -10.837 -6.257 -2.706) 12.803 32.528 ( 11.109 6.414 -16.189) 20.655 33.807 ( -2.833 -1.636 1.927) 3.797 35.222 ( 2.672 1.542 -1.377) 3.378 36.695 ( -8.408 -4.855 1.923) 9.898 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 13.139 7.586 14.252) 20.815 1.118 ( 22.039 12.724 2.707) 25.592 1.273 ( 24.032 13.875 3.861) 28.017 1.695 ( -0.089 -0.052 -0.421) 0.434 1.943 ( -0.545 -0.314 -0.696) 0.938 2.078 ( 2.314 1.336 -4.997) 5.667 2.124 ( 3.130 1.807 -3.854) 5.283 2.178 ( 0.650 0.376 3.372) 3.455 2.184 ( 1.560 0.900 3.258) 3.723 3.778 ( 3.848 2.222 9.982) 10.926 4.833 ( 1.577 0.911 0.092) 1.823 4.973 ( 4.556 2.630 0.127) 5.262 5.445 ( 0.267 0.154 -0.433) 0.532 5.552 ( 0.514 0.297 -2.255) 2.332 6.656 ( -6.781 -3.915 0.203) 7.833 6.685 ( -4.935 -2.849 -0.382) 5.711 8.821 ( -3.959 -2.285 -8.815) 9.930 11.965 ( 0.899 0.519 3.407) 3.562 14.592 ( -0.162 -0.093 -8.364) 8.366 15.425 ( 3.304 1.907 6.190) 7.271 15.748 ( 8.052 4.649 3.703) 10.008 16.417 ( 19.737 11.395 -1.030) 22.813 18.669 ( 2.161 1.248 -1.427) 2.875 18.820 ( -13.683 -7.900 15.585) 22.192 19.586 ( -3.117 -1.799 -26.232) 26.478 19.939 ( -2.003 -1.156 18.528) 18.672 20.075 ( 11.559 6.673 -23.017) 26.607 20.481 ( -3.511 -2.027 15.329) 15.856 20.709 ( -1.666 -0.962 5.364) 5.699 24.439 ( 8.078 4.664 -37.779) 38.913 24.508 ( 8.366 4.830 -41.822) 42.924 24.563 ( 3.513 2.028 -3.525) 5.374 25.499 ( 1.827 1.055 4.177) 4.680 25.928 ( 6.346 3.664 33.543) 34.334 26.032 ( -15.774 -9.107 58.874) 61.627 28.940 ( -4.445 -2.566 -3.062) 5.976 29.257 ( 6.246 3.606 -1.842) 7.444 29.306 ( -0.742 -0.428 3.008) 3.127 29.918 ( -11.996 -6.926 -0.296) 13.855 30.285 ( -3.507 -2.025 0.162) 4.053 30.803 ( -7.387 -4.265 -4.501) 9.645 32.736 ( 12.558 7.251 -7.653) 16.397 33.732 ( -4.957 -2.862 3.229) 6.572 35.292 ( 4.460 2.575 -3.188) 6.056 36.448 ( -14.666 -8.467 1.442) 16.996 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 9.250 5.341 10.014) 14.641 1.552 ( 16.634 9.604 1.879) 19.299 1.672 ( 3.130 1.807 -0.755) 3.693 1.744 ( 12.032 6.946 2.211) 14.068 1.932 ( 0.524 0.303 -1.078) 1.236 2.097 ( 0.980 0.566 -3.383) 3.567 2.156 ( 1.156 0.668 -1.451) 1.972 2.216 ( 1.636 0.945 1.977) 2.734 2.260 ( 4.080 2.356 1.359) 4.904 3.919 ( 4.455 2.572 10.221) 11.443 4.866 ( 1.304 0.753 0.375) 1.552 5.072 ( 3.579 2.067 1.792) 4.505 5.460 ( 1.388 0.801 -0.777) 1.780 5.587 ( 4.398 2.539 -3.084) 5.942 6.474 ( -9.902 -5.717 0.263) 11.437 6.563 ( -5.863 -3.385 -0.345) 6.779 8.689 ( -4.057 -2.342 -8.999) 10.145 12.001 ( 0.876 0.506 3.150) 3.308 14.558 ( 0.189 0.109 -6.929) 6.933 15.512 ( 2.708 1.563 3.318) 4.559 15.963 ( 8.975 5.182 5.898) 11.925 16.888 ( 22.643 13.073 1.567) 26.193 18.572 ( -14.481 -8.361 10.067) 19.517 18.717 ( 2.848 1.645 -1.454) 3.596 19.377 ( -5.686 -3.283 -21.636) 22.610 19.972 ( -1.790 -1.033 14.175) 14.325 20.202 ( 10.461 6.040 -27.381) 29.928 20.473 ( -4.744 -2.739 20.901) 21.607 20.710 ( -0.311 -0.180 4.506) 4.521 24.438 ( 4.133 2.386 -24.163) 24.630 24.559 ( 13.858 8.001 -38.042) 41.270 24.626 ( 3.559 2.055 -3.550) 5.430 25.558 ( 1.689 0.975 4.087) 4.528 25.735 ( -25.603 -14.782 55.273) 62.682 26.454 ( 21.306 12.301 18.149) 30.572 28.826 ( -4.490 -2.593 -2.622) 5.811 29.208 ( -14.864 -8.582 -5.836) 18.129 29.302 ( -0.832 -0.480 2.583) 2.756 29.712 ( -0.606 -0.350 1.927) 2.050 30.205 ( -3.633 -2.098 0.150) 4.198 30.692 ( -1.886 -1.089 -5.232) 5.667 32.999 ( 14.342 8.280 -6.430) 17.765 33.630 ( -6.117 -3.532 6.237) 9.423 35.377 ( 5.017 2.897 -5.911) 8.277 36.096 ( -17.786 -10.269 2.818) 20.730 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 4.913 2.837 5.478) 7.887 1.676 ( -0.013 -0.008 -0.974) 0.975 1.851 ( 10.203 5.891 0.862) 11.813 1.874 ( 0.133 0.077 -0.311) 0.346 2.034 ( 6.284 3.628 0.213) 7.259 2.084 ( -1.318 -0.761 -1.188) 1.931 2.169 ( 0.452 0.261 -0.400) 0.658 2.259 ( 1.623 0.937 0.490) 1.937 2.359 ( 4.089 2.361 0.717) 4.776 4.043 ( 2.941 1.698 6.571) 7.397 4.889 ( 0.558 0.322 0.409) 0.763 5.132 ( 1.122 0.648 2.232) 2.581 5.494 ( 1.833 1.059 -0.706) 2.232 5.729 ( 9.821 5.670 -3.318) 11.816 6.234 ( -12.131 -7.004 0.709) 14.026 6.445 ( -4.394 -2.537 -0.172) 5.076 8.580 ( -2.568 -1.482 -5.678) 6.406 12.028 ( 0.525 0.303 1.859) 1.956 14.538 ( 0.220 0.127 -3.831) 3.840 15.570 ( 1.574 0.909 1.345) 2.261 16.157 ( 6.017 3.474 4.435) 8.243 17.381 ( 21.204 12.242 1.401) 24.525 18.279 ( -15.592 -9.002 5.136) 18.722 18.778 ( 3.018 1.743 -0.319) 3.500 19.168 ( -5.612 -3.240 -13.047) 14.568 19.989 ( -1.162 -0.671 7.692) 7.808 20.277 ( 6.508 3.757 -21.168) 22.463 20.467 ( -3.781 -2.183 17.537) 18.072 20.729 ( 0.409 0.236 2.471) 2.516 24.415 ( 1.266 0.731 -10.306) 10.409 24.678 ( 2.236 1.291 -2.219) 3.405 24.755 ( 20.222 11.675 -40.805) 47.013 25.402 ( -25.809 -14.901 46.851) 55.526 25.603 ( 0.973 0.562 2.494) 2.735 27.018 ( 22.524 13.004 14.364) 29.711 28.693 ( -24.449 -14.116 -7.519) 29.216 28.734 ( -2.829 -1.633 -1.488) 3.589 29.295 ( -0.536 -0.309 1.470) 1.595 29.819 ( 5.670 3.274 1.824) 6.796 30.139 ( -2.311 -1.334 0.087) 2.670 30.640 ( -1.195 -0.690 -3.994) 4.226 33.274 ( 13.576 7.838 -10.824) 19.050 33.534 ( -6.374 -3.680 12.309) 14.341 35.450 ( 5.101 2.945 -10.145) 11.731 35.744 ( -15.397 -8.890 7.218) 19.188 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 0.000 0.000) 0.000 1.673 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.032 ( -0.000 -0.000 -0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 -0.000) 0.000 5.948 ( 0.000 0.000 -0.000) 0.000 5.985 ( -0.000 -0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 15.590 ( 0.000 0.000 0.000) 0.000 16.237 ( 0.000 0.000 -0.000) 0.000 17.714 ( 0.000 0.000 -0.000) 0.000 18.024 ( 0.000 0.000 0.000) 0.000 18.822 ( -0.000 -0.000 -0.000) 0.000 19.062 ( 0.000 0.000 0.000) 0.000 19.994 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 -0.000) 0.000 20.466 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 -0.000) 0.000 24.405 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 -0.000) 0.000 25.032 ( -0.000 -0.000 0.000) 0.000 25.078 ( 0.000 0.000 -0.000) 0.000 25.620 ( 0.000 0.000 0.000) 0.000 27.388 ( 0.000 0.000 0.000) 0.000 28.314 ( 0.000 0.000 0.000) 0.000 28.699 ( 0.000 0.000 0.000) 0.000 29.293 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 30.113 ( 0.000 0.000 0.000) 0.000 30.614 ( 0.000 0.000 0.000) 0.000 33.440 ( 0.000 0.000 -0.000) 0.000 33.462 ( 0.000 0.000 0.000) 0.000 35.513 ( 0.000 0.000 0.000) 0.000 35.550 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 15.405 24.901) 29.281 0.617 ( 0.000 27.993 7.575) 29.000 0.696 ( 0.000 30.803 9.918) 32.361 1.700 ( 0.000 -0.211 0.056) 0.219 1.955 ( -0.000 -0.607 -0.500) 0.787 2.038 ( -0.000 2.388 -4.724) 5.293 2.046 ( -0.000 3.125 -4.654) 5.606 2.165 ( 0.000 -0.047 2.942) 2.943 2.172 ( 0.000 0.527 3.083) 3.128 3.728 ( 0.000 0.542 14.434) 14.445 4.809 ( 0.000 1.472 0.796) 1.673 4.879 ( -0.000 3.901 -2.312) 4.535 5.444 ( -0.000 -0.310 -0.497) 0.586 5.543 ( -0.000 1.348 -4.840) 5.024 6.763 ( -0.000 -4.027 -0.219) 4.033 6.774 ( 0.000 -3.015 0.061) 3.015 8.888 ( -0.000 -2.809 -10.809) 11.168 11.953 ( 0.000 0.327 4.761) 4.772 14.592 ( -0.000 -0.359 -11.590) 11.595 15.373 ( 0.000 3.632 12.688) 13.198 15.607 ( 0.000 4.626 1.218) 4.784 16.019 ( -0.000 20.090 -12.634) 23.733 18.631 ( -0.000 1.288 -1.668) 2.107 19.142 ( 0.000 -23.704 34.289) 41.685 19.593 ( -0.000 -0.993 -21.911) 21.934 19.809 ( -0.000 6.924 -24.177) 25.149 20.111 ( 0.000 2.247 27.019) 27.112 20.598 ( 0.000 0.975 18.477) 18.503 20.700 ( -0.000 -3.949 -0.219) 3.955 23.987 ( -0.000 41.290 -96.968) 105.393 24.294 ( -0.000 -4.224 -29.532) 29.833 24.530 ( -0.000 11.320 -14.728) 18.576 25.553 ( 0.000 6.633 11.155) 12.978 25.593 ( 0.000 5.368 19.084) 19.824 26.806 ( 0.000 -68.301 131.557) 148.230 29.038 ( -0.000 -2.528 -1.733) 3.065 29.140 ( 0.000 6.350 1.297) 6.481 29.309 ( 0.000 -0.882 2.730) 2.869 30.074 ( 0.000 -4.238 0.147) 4.240 30.353 ( 0.000 -2.236 0.886) 2.405 31.023 ( -0.000 -12.405 -5.261) 13.474 32.431 ( -0.000 21.564 -25.551) 33.434 33.816 ( 0.000 -3.550 3.188) 4.772 35.213 ( -0.000 2.885 -2.512) 3.825 36.711 ( 0.000 -10.376 3.388) 10.915 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 6.413 11.574 20.286) 24.220 1.013 ( 12.378 22.587 5.509) 26.339 1.149 ( 14.518 24.102 6.885) 28.967 1.697 ( -0.215 0.004 -0.039) 0.219 1.943 ( -0.335 -0.482 -1.079) 1.228 2.047 ( 1.008 3.158 -5.595) 6.504 2.081 ( 2.423 3.388 -4.386) 6.048 2.184 ( 0.639 0.218 3.274) 3.342 2.195 ( 0.250 0.894 3.089) 3.226 3.824 ( 1.186 3.103 16.256) 16.592 4.835 ( 0.508 2.385 0.955) 2.619 4.937 ( 3.080 3.994 -0.783) 5.104 5.439 ( 0.181 -0.190 -0.915) 0.952 5.536 ( 0.273 0.454 -3.335) 3.377 6.690 ( -3.064 -5.951 -0.186) 6.696 6.714 ( -2.948 -4.304 -0.007) 5.217 8.784 ( -1.553 -3.761 -14.374) 14.939 11.983 ( 0.205 0.721 5.426) 5.477 14.538 ( 0.628 -0.054 -12.385) 12.401 15.477 ( 0.058 5.007 11.663) 12.692 15.706 ( 5.035 6.132 3.631) 8.726 16.283 ( 12.038 19.529 -3.655) 23.230 18.647 ( 1.290 1.830 -2.479) 3.340 18.987 ( -8.899 -18.072 23.573) 31.008 19.492 ( -0.728 -0.453 -22.925) 22.941 19.821 ( 8.337 4.528 -26.044) 27.718 20.158 ( -9.111 4.181 23.521) 25.568 20.563 ( -4.068 -4.582 9.741) 11.508 20.784 ( 1.660 4.318 10.554) 11.523 24.085 ( 15.638 11.824 -54.677) 58.085 24.159 ( 7.036 -4.320 -35.444) 36.393 24.587 ( 0.361 15.714 -18.409) 24.207 25.608 ( -4.556 6.355 15.537) 17.394 25.887 ( 12.541 8.982 19.552) 24.904 26.551 ( -21.123 -37.844 83.028) 93.659 28.981 ( -3.197 -2.280 -2.898) 4.880 29.207 ( 1.270 5.056 1.055) 5.319 29.337 ( 1.343 1.674 3.147) 3.809 29.968 ( -5.598 -10.794 -1.291) 12.227 30.316 ( -2.060 -2.465 0.967) 3.355 30.825 ( -5.237 -9.374 -6.825) 12.723 32.606 ( 8.844 14.563 -13.563) 21.777 33.776 ( -2.494 -4.162 4.786) 6.816 35.248 ( 2.275 3.608 -4.359) 6.099 36.542 ( -8.104 -13.169 2.574) 15.676 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 6.359 7.573 13.785) 16.965 1.434 ( 13.387 16.082 3.531) 21.220 1.601 ( 12.701 14.716 3.097) 19.684 1.700 ( 1.012 1.395 0.967) 1.977 1.928 ( -0.266 -0.011 -1.405) 1.430 2.074 ( 1.342 2.876 -4.572) 5.566 2.131 ( 2.000 1.887 -2.528) 3.735 2.218 ( 0.866 1.104 2.480) 2.849 2.235 ( 2.251 1.955 1.885) 3.527 3.961 ( 1.791 4.047 16.468) 17.052 4.875 ( 0.441 2.909 1.336) 3.231 5.037 ( 4.293 3.238 1.362) 5.547 5.444 ( 1.014 0.678 -1.607) 2.017 5.542 ( 1.779 1.840 -3.723) 4.518 6.549 ( -6.460 -7.405 -0.062) 9.827 6.604 ( -4.633 -5.390 -0.045) 7.108 8.652 ( -1.647 -3.897 -14.758) 15.352 12.018 ( 0.128 0.757 5.016) 5.075 14.504 ( 1.489 0.291 -10.481) 10.590 15.564 ( -1.030 6.255 7.072) 9.498 15.906 ( 8.333 6.413 6.846) 12.547 16.705 ( 17.600 18.260 0.732) 25.372 18.683 ( 1.673 1.359 -1.783) 2.797 18.750 ( -11.476 -13.640 14.167) 22.770 19.348 ( -4.293 0.325 -20.888) 21.327 19.904 ( 12.255 0.679 -24.823) 27.692 20.142 ( -8.722 3.675 18.411) 20.701 20.507 ( -0.620 -9.363 10.812) 14.316 20.890 ( -4.289 12.112 11.421) 17.191 24.129 ( 15.096 -5.213 -37.598) 40.849 24.177 ( 12.507 1.296 -30.665) 33.143 24.664 ( 0.000 17.983 -19.971) 26.874 25.668 ( -4.425 6.350 16.180) 17.936 26.210 ( -22.536 -27.486 61.724) 71.226 26.320 ( 17.861 10.705 17.512) 27.208 28.876 ( -5.156 -2.006 -3.041) 6.313 29.241 ( -0.813 -2.349 0.547) 2.545 29.390 ( -4.487 4.239 -0.414) 6.187 29.698 ( -5.294 -14.383 0.330) 15.330 30.256 ( -3.319 -1.272 0.821) 3.648 30.679 ( -1.846 -2.375 -7.679) 8.247 32.845 ( 11.499 11.823 -10.088) 19.334 33.709 ( -4.228 -3.952 8.370) 10.176 35.305 ( 3.558 3.173 -7.268) 8.692 36.244 ( -13.091 -14.742 3.351) 19.998 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 4.140 3.958 7.430) 9.382 1.686 ( -0.423 1.057 0.861) 1.428 1.763 ( 9.950 10.090 1.726) 14.276 1.865 ( 1.887 1.769 -0.011) 2.586 1.977 ( 6.026 6.069 0.319) 8.559 2.093 ( -0.151 1.628 -2.217) 2.755 2.156 ( 1.002 0.290 -0.768) 1.296 2.256 ( 1.001 2.008 1.044) 2.475 2.319 ( 4.026 2.833 0.793) 4.986 4.086 ( 0.323 3.423 12.986) 13.433 4.908 ( -0.520 2.656 1.724) 3.209 5.127 ( 2.181 1.315 3.079) 3.996 5.475 ( 2.051 2.253 -2.040) 3.667 5.621 ( 6.905 4.837 -4.547) 9.579 6.344 ( -9.521 -8.220 0.223) 12.580 6.475 ( -4.300 -5.723 0.152) 7.160 8.540 ( -0.138 -3.108 -11.612) 12.021 12.043 ( -0.267 0.566 3.659) 3.713 14.496 ( 1.962 0.433 -7.224) 7.498 15.626 ( -2.009 6.597 4.378) 8.169 16.124 ( 6.659 5.591 6.062) 10.599 17.176 ( 19.441 14.930 1.617) 24.566 18.451 ( -14.153 -13.528 8.734) 21.438 18.748 ( 3.189 2.962 -2.079) 4.823 19.189 ( -5.630 1.569 -14.745) 15.861 19.992 ( 11.492 -2.276 -20.524) 23.632 20.117 ( -6.076 3.352 10.664) 12.723 20.460 ( 0.630 -12.076 12.405) 17.323 20.971 ( -8.565 16.648 9.842) 21.151 24.177 ( 15.898 -9.903 -25.962) 32.014 24.291 ( 16.563 2.789 -26.881) 31.697 24.737 ( -0.748 18.168 -20.948) 27.739 25.719 ( -5.669 5.326 16.695) 18.418 25.843 ( -22.851 -23.779 49.215) 59.243 26.827 ( 21.788 10.457 14.756) 28.316 28.737 ( -7.301 -7.391 -4.197) 11.205 28.968 ( -20.528 -6.224 -6.013) 22.278 29.298 ( -0.678 -3.121 1.916) 3.724 29.724 ( 7.561 -0.350 3.276) 8.248 30.203 ( -3.448 1.717 0.653) 3.907 30.622 ( -0.241 -0.248 -7.228) 7.237 33.095 ( 12.188 9.371 -12.309) 19.694 33.656 ( -4.820 -1.945 14.374) 15.285 35.346 ( 3.961 1.216 -11.533) 12.255 35.907 ( -13.447 -13.133 6.488) 19.885 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.641 0.798 1.469) 1.790 1.693 ( -0.886 1.191 2.339) 2.770 1.869 ( -0.049 -0.003 -0.685) 0.687 1.964 ( 5.325 4.938 0.502) 7.279 2.071 ( -2.904 0.249 -0.482) 2.955 2.095 ( 2.041 2.291 0.321) 3.085 2.168 ( 0.617 0.065 -0.283) 0.682 2.289 ( 0.063 1.872 0.234) 1.887 2.400 ( 2.145 1.377 0.152) 2.554 4.137 ( -2.654 1.765 6.425) 7.172 4.922 ( -1.456 2.134 1.540) 3.007 5.154 ( -0.431 -0.066 1.283) 1.355 5.521 ( 0.892 2.877 -1.573) 3.398 5.817 ( 11.983 6.656 -3.024) 14.037 6.097 ( -11.165 -8.100 1.078) 13.836 6.379 ( -0.988 -4.414 0.368) 4.539 8.496 ( 2.456 -1.638 -5.957) 6.649 12.051 ( -0.819 0.271 1.801) 1.997 14.508 ( 1.976 0.356 -3.463) 4.003 15.658 ( -3.506 6.052 2.858) 7.555 16.250 ( 0.936 2.954 2.012) 3.695 17.600 ( 15.947 9.496 0.083) 18.560 18.118 ( -13.916 -11.890 4.079) 18.752 18.820 ( 2.024 2.345 0.637) 3.163 19.090 ( -2.478 4.156 -6.519) 8.119 20.026 ( 0.961 -1.000 -3.467) 3.734 20.130 ( 5.285 1.283 -10.228) 11.584 20.409 ( 0.795 -13.923 13.731) 19.571 21.006 ( -11.900 17.906 7.016) 22.615 24.226 ( 13.539 -11.930 -11.330) 21.307 24.520 ( 20.567 5.063 -26.946) 34.274 24.790 ( 0.090 16.082 -22.743) 27.855 25.462 ( -21.516 -22.392 43.700) 53.610 25.746 ( -7.302 6.082 14.354) 17.214 27.280 ( 14.570 2.197 6.228) 15.997 28.368 ( -12.469 -9.724 -6.827) 17.223 28.771 ( -5.709 5.166 -0.716) 7.732 29.279 ( 0.544 -2.712 0.799) 2.879 29.825 ( 4.364 -3.531 1.970) 5.949 30.186 ( -3.287 5.142 0.625) 6.135 30.600 ( 0.923 0.591 -4.262) 4.400 33.279 ( 9.591 4.635 -14.198) 17.750 33.631 ( -7.427 0.005 16.552) 18.142 35.366 ( 6.810 -0.968 -12.862) 14.586 35.664 ( -8.545 -7.022 9.262) 14.425 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.915 -1.365 -2.719) 4.958 1.697 ( -1.121 0.821 2.475) 2.839 1.873 ( 0.468 0.264 -0.036) 0.538 1.958 ( -7.384 -2.289 -0.306) 7.736 2.077 ( 1.774 2.789 0.466) 3.338 2.094 ( -3.207 -0.723 0.138) 3.290 2.171 ( -0.112 -0.298 0.178) 0.365 2.287 ( -1.938 0.661 -0.171) 2.055 2.395 ( -2.630 -1.297 -0.546) 2.983 4.090 ( -5.614 0.001 -0.290) 5.622 4.918 ( -1.930 1.742 0.934) 2.763 5.136 ( -1.192 -0.596 -1.341) 1.891 5.528 ( -2.000 1.413 -0.580) 2.516 5.854 ( -10.641 -6.349 2.044) 12.559 6.081 ( 13.381 6.113 -1.113) 14.753 6.379 ( 4.249 -1.536 0.391) 4.535 8.536 ( 5.034 -0.098 -0.132) 5.037 12.038 ( -1.349 -0.019 -0.001) 1.349 14.534 ( 1.735 0.171 0.056) 1.744 15.649 ( -5.233 4.837 1.689) 7.323 16.219 ( -5.703 -0.715 -2.515) 6.274 17.595 ( -17.209 -9.232 -0.688) 19.541 18.084 ( 13.821 4.431 -0.602) 14.527 18.825 ( -3.130 0.759 0.663) 3.288 19.170 ( 5.790 6.463 5.476) 10.261 19.996 ( -2.855 2.119 -3.361) 4.893 20.200 ( 9.548 -0.767 -15.549) 18.262 20.347 ( 0.196 -14.926 15.482) 21.506 20.980 ( -13.847 16.206 3.589) 21.616 24.301 ( 12.297 -11.150 -0.294) 16.602 24.694 ( 1.045 6.625 -12.779) 14.432 24.922 ( 19.718 9.734 -33.136) 39.769 25.133 ( -18.096 -15.890 36.079) 43.378 25.730 ( -8.598 5.290 12.540) 16.098 27.156 ( -16.791 -14.771 -11.751) 25.262 28.443 ( 19.351 7.479 4.114) 21.150 28.783 ( -0.427 8.263 0.972) 8.331 29.269 ( 1.147 -2.301 -0.587) 2.637 29.810 ( -0.707 -6.550 -0.305) 6.595 30.184 ( -3.071 5.105 0.277) 5.964 30.631 ( 2.423 1.516 0.275) 2.871 33.393 ( 8.000 3.058 -11.981) 14.727 33.501 ( -14.616 -3.750 11.846) 19.184 35.504 ( 14.872 0.468 -2.550) 15.096 35.551 ( -4.459 -1.221 2.699) 5.354 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -9.058 -2.551 -4.811) 10.569 1.695 ( -1.139 0.263 1.531) 1.926 1.747 ( -14.426 -3.753 -0.596) 14.918 1.860 ( -4.654 -1.391 -0.602) 4.894 1.977 ( -7.084 -1.905 0.287) 7.341 2.118 ( 0.288 1.412 1.418) 2.022 2.165 ( -0.223 -0.589 0.550) 0.836 2.243 ( -3.119 -0.281 -0.886) 3.254 2.308 ( -4.785 -2.000 -0.739) 5.238 3.966 ( -7.200 -1.051 -4.190) 8.396 4.900 ( -2.383 1.183 0.435) 2.695 5.094 ( -2.124 -1.272 -1.808) 3.066 5.490 ( -2.701 0.061 0.098) 2.704 5.667 ( -7.320 -3.395 2.107) 8.339 6.339 ( 12.139 4.438 -0.384) 12.931 6.476 ( 7.211 0.601 0.363) 7.245 8.645 ( 6.509 0.849 3.397) 7.391 12.009 ( -1.680 -0.205 -1.182) 2.064 14.567 ( 1.507 0.030 2.543) 2.957 15.593 ( -6.668 3.140 0.303) 7.376 16.052 ( -9.590 -3.113 -4.241) 10.939 17.156 ( -23.146 -9.079 -1.173) 24.891 18.361 ( 14.618 4.247 -3.737) 15.674 18.771 ( -3.999 0.199 0.738) 4.071 19.400 ( 8.247 5.746 15.275) 18.285 19.948 ( -2.409 3.503 -10.292) 11.136 20.242 ( 3.892 -8.707 -6.009) 11.273 20.311 ( 3.969 -6.030 8.510) 11.159 20.898 ( -13.438 12.142 0.126) 18.112 24.417 ( 10.644 -8.472 9.760) 16.743 24.637 ( -5.407 -1.651 1.057) 5.751 24.912 ( -13.555 -4.089 20.443) 24.867 25.219 ( 23.447 7.205 -34.886) 42.646 25.682 ( -9.133 4.462 10.303) 14.473 26.609 ( -22.198 -13.583 -16.780) 30.965 28.781 ( 7.961 2.670 2.338) 8.716 29.037 ( 18.117 13.305 4.138) 22.855 29.275 ( 2.835 -0.514 -1.324) 3.171 29.691 ( -4.029 -7.489 -1.745) 8.681 30.200 ( 0.111 3.546 0.197) 3.553 30.689 ( 2.007 1.156 2.442) 3.366 33.220 ( -17.271 -3.555 2.877) 17.867 33.513 ( 8.069 0.920 -3.513) 8.849 35.463 ( -5.486 -2.111 4.394) 7.339 35.836 ( 21.130 4.984 -2.718) 21.879 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -14.374 -2.644 -4.968) 15.436 1.405 ( -21.811 -3.982 -0.781) 22.185 1.571 ( -22.206 -4.250 -1.049) 22.633 1.700 ( -0.530 -0.080 0.333) 0.632 1.940 ( 0.214 0.100 0.402) 0.466 2.130 ( -1.361 0.599 3.547) 3.846 2.159 ( -0.408 -0.472 1.163) 1.319 2.180 ( -2.604 -0.560 -2.864) 3.911 2.212 ( -4.575 -1.119 -1.130) 4.844 3.819 ( -6.715 -0.952 -3.879) 7.813 4.867 ( -2.660 0.415 0.193) 2.699 5.024 ( -3.982 -1.407 -0.643) 4.272 5.456 ( -1.300 -0.113 0.159) 1.315 5.576 ( -2.556 -0.745 1.074) 2.871 6.548 ( 9.667 2.185 -0.173) 9.912 6.606 ( 7.090 0.952 0.261) 7.159 8.778 ( 6.386 0.863 3.369) 7.272 11.973 ( -1.671 -0.208 -1.259) 2.103 14.605 ( 1.434 0.019 2.996) 3.321 15.496 ( -7.327 1.093 -1.255) 7.514 15.844 ( -9.724 -2.611 -2.494) 10.373 16.697 ( -23.500 -5.340 -0.478) 24.104 18.599 ( 13.229 2.397 -4.601) 14.209 18.713 ( -3.340 -0.131 0.433) 3.370 19.646 ( 6.103 2.659 20.175) 21.245 19.893 ( -1.451 3.966 -15.251) 15.825 20.164 ( -1.252 -9.064 3.679) 9.862 20.383 ( 4.876 -0.421 -0.518) 4.921 20.786 ( -9.499 6.039 -2.290) 11.486 24.536 ( -1.229 -5.051 6.437) 8.274 24.585 ( 5.745 -3.832 19.344) 20.540 24.772 ( -10.478 1.211 7.521) 12.955 25.468 ( 18.390 4.136 -31.807) 36.973 25.616 ( -7.943 3.617 6.007) 10.595 26.086 ( -19.361 -8.318 -14.655) 25.667 28.910 ( 4.752 3.003 1.718) 5.879 29.230 ( 1.884 -2.335 -0.596) 3.059 29.403 ( -5.127 4.680 1.510) 7.104 29.691 ( 18.559 -0.837 -1.037) 18.606 30.251 ( 2.649 1.772 0.092) 3.189 30.747 ( 3.605 0.886 1.962) 4.199 32.935 ( -14.947 -2.512 2.164) 15.310 33.637 ( 7.278 0.835 -1.595) 7.498 35.369 ( -5.648 -1.220 1.783) 6.047 36.215 ( 20.067 3.642 -0.704) 20.407 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -18.792 -0.000 0.000) 18.792 0.975 ( -27.304 -0.000 0.000) 27.304 1.104 ( -30.317 -0.000 0.000) 30.317 1.699 ( 0.024 0.000 -0.000) 0.024 1.949 ( 0.568 0.000 -0.000) 0.568 2.100 ( -3.405 -0.000 0.000) 3.405 2.125 ( -4.289 -0.000 0.000) 4.289 2.151 ( -0.133 -0.000 0.000) 0.133 2.157 ( -0.292 -0.000 0.000) 0.292 3.709 ( -4.771 -0.000 0.000) 4.771 4.828 ( -2.159 -0.000 0.000) 2.159 4.945 ( -4.344 -0.000 0.000) 4.344 5.446 ( -0.114 -0.000 0.000) 0.114 5.562 ( 0.288 0.000 -0.000) 0.288 6.692 ( 6.681 0.000 -0.000) 6.681 6.714 ( 5.250 0.000 -0.000) 5.250 8.884 ( 4.820 0.000 -0.000) 4.820 11.944 ( -1.276 -0.000 0.000) 1.276 14.636 ( 1.246 0.000 -0.000) 1.246 15.380 ( -6.279 -0.000 0.000) 6.279 15.685 ( -7.409 -0.000 0.000) 7.409 16.315 ( -19.243 -0.000 0.000) 19.243 18.665 ( -2.364 -0.000 0.000) 2.364 18.804 ( 12.066 0.000 -0.000) 12.066 19.785 ( 2.210 0.000 -0.000) 2.210 19.852 ( -0.460 -0.000 0.000) 0.460 20.070 ( -6.414 -0.000 0.000) 6.414 20.443 ( 2.753 0.000 -0.000) 2.753 20.709 ( -1.779 -0.000 0.000) 1.779 24.500 ( -1.021 -0.000 0.000) 1.021 24.641 ( -8.292 -0.000 0.000) 8.292 24.749 ( 6.310 0.000 -0.000) 6.310 25.526 ( -5.792 -0.000 0.000) 5.792 25.641 ( 11.106 0.000 -0.000) 11.106 25.731 ( -13.863 -0.000 0.000) 13.863 29.003 ( 3.879 0.000 -0.000) 3.879 29.198 ( -4.263 -0.000 0.000) 4.263 29.314 ( -3.273 -0.000 0.000) 3.273 29.976 ( 11.775 0.000 -0.000) 11.775 30.309 ( 3.165 0.000 -0.000) 3.165 30.874 ( 10.963 0.000 -0.000) 10.963 32.711 ( -11.830 -0.000 0.000) 11.830 33.742 ( 5.328 0.000 -0.000) 5.328 35.280 ( -4.771 -0.000 0.000) 4.771 36.522 ( 15.112 0.000 -0.000) 15.112 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 0.000 11.168 18.067) 21.240 1.170 ( 0.000 23.669 6.048) 24.429 1.312 ( 0.000 25.518 7.207) 26.516 1.701 ( 0.000 0.245 0.495) 0.552 1.935 ( -0.000 -0.307 -1.532) 1.562 2.048 ( -0.000 3.759 -5.695) 6.824 2.080 ( -0.000 4.611 -4.057) 6.142 2.195 ( 0.000 0.188 3.073) 3.079 2.216 ( 0.000 1.178 2.661) 2.910 3.934 ( 0.000 4.278 20.248) 20.694 4.862 ( 0.000 2.875 2.038) 3.524 4.952 ( -0.000 5.249 -0.836) 5.316 5.428 ( -0.000 -0.447 -1.565) 1.628 5.525 ( -0.000 1.082 -3.557) 3.718 6.648 ( -0.000 -7.941 -0.326) 7.947 6.694 ( 0.000 -5.385 0.184) 5.388 8.680 ( -0.000 -4.792 -18.143) 18.765 12.017 ( 0.000 0.850 6.314) 6.371 14.473 ( -0.000 0.184 -13.098) 13.099 15.591 ( 0.000 5.900 13.782) 14.992 15.741 ( 0.000 6.869 3.385) 7.658 16.384 ( -0.000 25.011 -2.312) 25.118 18.640 ( -0.000 1.813 -3.366) 3.823 18.974 ( 0.000 -20.627 21.755) 29.980 19.407 ( -0.000 1.181 -18.908) 18.945 19.675 ( -0.000 4.058 -27.238) 27.538 20.369 ( 0.000 -5.224 27.744) 28.232 20.634 ( 0.000 0.632 1.434) 1.567 20.845 ( 0.000 6.910 17.861) 19.151 23.840 ( -0.000 11.969 -45.947) 47.480 23.882 ( -0.000 -5.810 -38.148) 38.587 24.669 ( -0.000 21.818 -22.815) 31.568 25.869 ( 0.000 11.934 18.761) 22.235 25.894 ( 0.000 7.009 19.218) 20.456 26.672 ( 0.000 -42.217 69.089) 80.967 28.953 ( -0.000 -4.247 -2.354) 4.856 29.315 ( 0.000 -1.635 3.676) 4.023 29.317 ( 0.000 9.913 2.863) 10.319 29.885 ( -0.000 -16.130 -3.016) 16.409 30.308 ( 0.000 -3.517 1.648) 3.884 30.738 ( -0.000 -8.799 -8.479) 12.220 32.622 ( -0.000 16.139 -13.029) 20.742 33.786 ( 0.000 -3.311 6.586) 7.371 35.243 ( -0.000 3.728 -5.960) 7.030 36.481 ( 0.000 -16.483 3.071) 16.767 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 2.658 7.696 12.964) 15.309 1.458 ( 6.405 18.949 4.417) 20.484 1.616 ( 6.265 18.135 3.706) 19.541 1.711 ( 0.316 1.552 2.127) 2.651 1.926 ( -0.134 0.348 -1.618) 1.660 2.067 ( 0.875 3.775 -4.804) 6.172 2.117 ( 1.078 3.585 -2.644) 4.583 2.220 ( 1.144 0.809 2.364) 2.748 2.243 ( 0.443 1.954 1.785) 2.684 4.077 ( 0.106 5.225 21.074) 21.713 4.910 ( 0.518 3.800 2.679) 4.678 5.020 ( 2.434 4.570 1.021) 5.278 5.421 ( 0.812 -0.184 -2.553) 2.685 5.527 ( 0.547 2.557 -4.201) 4.949 6.541 ( -2.711 -9.586 -0.292) 9.966 6.615 ( -3.038 -6.091 0.288) 6.813 8.545 ( -0.094 -5.009 -18.764) 19.422 12.052 ( -0.194 0.861 5.938) 6.004 14.431 ( 1.458 0.460 -11.443) 11.545 15.696 ( -1.570 7.533 9.427) 12.168 15.875 ( 6.066 6.291 6.445) 10.858 16.692 ( 8.370 24.312 0.338) 25.715 18.655 ( 1.829 1.823 -3.926) 4.700 18.815 ( -6.797 -18.686 15.947) 25.489 19.329 ( -2.070 2.601 -17.017) 17.339 19.642 ( 6.836 1.127 -23.624) 24.619 20.374 ( -1.744 -10.110 20.045) 22.518 20.555 ( -12.372 4.574 8.300) 15.585 21.074 ( 4.326 11.467 15.924) 20.094 23.698 ( 7.378 -7.009 -38.949) 40.256 23.845 ( 11.280 2.404 -31.901) 33.922 24.778 ( -1.185 25.368 -24.592) 35.351 25.929 ( -7.102 9.448 19.589) 22.879 26.243 ( 13.185 10.625 17.587) 24.414 26.472 ( -12.727 -34.991 55.860) 67.132 28.892 ( -1.636 -4.189 -2.758) 5.276 29.270 ( -3.166 -0.678 3.306) 4.627 29.476 ( 3.344 9.484 3.229) 10.562 29.614 ( -7.629 -23.148 -4.427) 24.771 30.277 ( -0.810 -2.726 1.501) 3.215 30.630 ( -0.317 -3.661 -9.392) 10.086 32.762 ( 6.504 12.499 -11.444) 18.153 33.780 ( -2.399 -0.982 9.986) 10.317 35.254 ( 1.534 2.282 -8.727) 9.150 36.274 ( -7.015 -17.259 3.906) 19.035 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 2.456 4.008 7.082) 8.500 1.713 ( -0.126 2.064 2.220) 3.034 1.740 ( 6.999 12.455 2.249) 14.462 1.855 ( 2.402 3.766 0.430) 4.487 1.961 ( 3.645 7.044 0.320) 7.938 2.098 ( 0.909 3.005 -2.971) 4.322 2.143 ( 0.416 0.896 -0.772) 1.254 2.265 ( 1.382 2.045 1.433) 2.854 2.294 ( 2.499 3.151 0.643) 4.073 4.206 ( -1.491 4.730 17.694) 18.376 4.963 ( -0.583 4.105 3.157) 5.212 5.116 ( 3.056 2.512 3.735) 5.440 5.438 ( 2.897 1.104 -3.833) 4.930 5.567 ( 2.877 5.485 -5.145) 8.052 6.379 ( -5.354 -10.367 -0.207) 11.669 6.491 ( -4.768 -6.521 0.571) 8.099 8.430 ( 1.445 -4.258 -15.738) 16.368 12.077 ( -0.676 0.689 4.607) 4.707 14.425 ( 2.677 0.614 -8.494) 8.927 15.770 ( -2.891 8.726 5.974) 10.964 16.086 ( 8.103 5.434 6.826) 11.907 17.078 ( 12.264 19.604 1.124) 23.151 18.556 ( -11.078 -16.853 9.543) 22.312 18.703 ( 3.789 2.332 -3.563) 5.700 19.236 ( -4.396 3.742 -13.083) 14.300 19.693 ( 10.694 -0.996 -18.879) 21.721 20.332 ( -1.620 -9.414 14.791) 17.608 20.431 ( -11.083 2.070 8.329) 14.018 21.298 ( -2.889 17.489 15.314) 23.425 23.633 ( 16.155 -11.820 -35.770) 40.990 23.946 ( 15.063 -1.077 -20.818) 25.718 24.872 ( -3.274 26.275 -26.076) 37.162 25.978 ( -7.991 1.170 24.437) 25.737 26.155 ( -17.636 -21.785 42.601) 50.994 26.660 ( 17.326 8.860 14.263) 24.127 28.768 ( -6.863 -7.486 -4.486) 11.103 29.172 ( -14.416 -7.748 -4.794) 17.054 29.257 ( -0.306 -9.732 0.890) 9.777 29.648 ( 5.137 4.785 5.402) 8.858 30.254 ( -0.791 0.378 0.665) 1.100 30.574 ( 0.980 -1.114 -9.109) 9.229 32.942 ( 9.573 7.825 -11.831) 17.113 33.796 ( -3.529 3.346 14.763) 15.544 35.241 ( 1.995 -1.749 -12.685) 12.959 35.997 ( -10.135 -14.454 5.962) 18.633 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.695 1.190 2.086) 2.500 1.737 ( -0.770 1.825 3.580) 4.092 1.865 ( -0.128 -0.032 -1.301) 1.307 1.938 ( 4.885 6.829 0.786) 8.433 2.088 ( 2.477 3.906 0.457) 4.648 2.114 ( -1.308 2.172 -0.865) 2.679 2.151 ( 1.140 -0.183 -0.426) 1.231 2.311 ( 0.512 2.820 0.647) 2.938 2.373 ( 3.037 2.155 0.173) 3.728 4.261 ( -4.519 3.042 10.951) 12.231 4.989 ( -2.152 3.290 3.061) 4.983 5.169 ( -0.196 0.219 2.571) 2.588 5.508 ( 4.208 3.745 -3.398) 6.578 5.694 ( 8.026 7.074 -3.794) 11.352 6.177 ( -7.676 -9.434 0.092) 12.162 6.360 ( -3.417 -6.579 0.932) 7.471 8.382 ( 4.096 -2.746 -9.963) 11.116 12.083 ( -1.289 0.418 2.806) 3.116 14.449 ( 3.215 0.560 -5.070) 6.029 15.816 ( -4.437 8.516 4.261) 10.506 16.262 ( 3.908 3.953 3.644) 6.647 17.451 ( 13.829 13.124 0.137) 19.065 18.236 ( -13.159 -15.185 5.038) 20.715 18.795 ( 4.986 3.249 0.436) 5.967 19.147 ( -4.147 3.955 -10.019) 11.542 19.795 ( 11.665 -0.368 -14.212) 18.390 20.271 ( -7.459 -0.892 9.527) 12.132 20.318 ( -2.648 -8.550 7.393) 11.609 21.429 ( -11.152 20.308 12.776) 26.458 23.675 ( 22.607 -16.327 -27.178) 38.939 24.138 ( 18.840 0.579 -14.672) 23.886 24.922 ( -5.456 24.559 -27.098) 36.976 25.724 ( -17.058 -29.549 41.185) 53.482 26.071 ( -11.661 11.994 19.643) 25.801 27.065 ( 17.140 2.308 7.826) 18.983 28.438 ( -13.479 -13.403 -8.632) 20.877 28.935 ( -8.030 3.343 -1.873) 8.898 29.224 ( 1.642 -5.736 1.302) 6.107 29.759 ( 2.462 0.038 4.279) 4.936 30.272 ( -0.574 4.409 0.686) 4.499 30.553 ( 1.994 -0.106 -7.053) 7.330 33.097 ( 9.655 2.937 -11.286) 15.140 33.849 ( -6.112 6.868 16.369) 18.774 35.177 ( 4.175 -6.715 -14.177) 16.233 35.768 ( -8.150 -7.656 7.126) 13.260 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -2.147 -0.312 -0.721) 2.286 1.745 ( -1.844 1.110 2.976) 3.673 1.864 ( 0.616 0.199 -0.661) 0.925 2.022 ( -1.008 0.961 -0.036) 1.393 2.096 ( -1.003 2.466 0.000) 2.662 2.122 ( -0.443 0.400 0.284) 0.661 2.170 ( 0.360 0.234 -0.032) 0.430 2.329 ( -1.533 1.884 0.170) 2.435 2.410 ( -0.147 -0.167 -0.341) 0.407 4.214 ( -7.522 1.170 3.975) 8.588 4.986 ( -2.905 2.488 2.178) 4.402 5.150 ( -1.832 -0.694 -0.561) 2.038 5.573 ( -0.332 4.195 -2.013) 4.665 5.903 ( 8.772 0.955 0.733) 8.854 5.976 ( -5.383 -2.095 -1.142) 5.888 6.293 ( 2.154 -4.966 0.826) 5.476 8.422 ( 6.709 -1.104 -3.856) 7.817 12.068 ( -1.851 0.152 1.086) 2.151 14.491 ( 3.158 0.344 -1.951) 3.728 15.818 ( -6.386 6.910 3.010) 9.879 16.295 ( -3.736 1.026 -0.562) 3.915 17.717 ( 0.368 3.372 -1.764) 3.823 17.952 ( -1.382 -7.705 3.252) 8.476 18.892 ( -0.654 3.012 4.437) 5.402 19.128 ( 4.657 3.599 -6.298) 8.620 19.933 ( 10.487 2.822 -10.365) 15.012 20.158 ( -9.035 1.852 1.360) 9.322 20.250 ( 1.540 -13.381 9.378) 16.413 21.421 ( -16.995 16.851 7.937) 25.214 23.819 ( 24.846 -15.038 -14.743) 32.570 24.430 ( 21.576 3.000 -11.586) 24.673 24.901 ( -7.731 17.767 -23.949) 30.806 25.377 ( -14.880 -22.393 33.348) 42.836 26.062 ( -13.326 10.771 17.482) 24.479 27.161 ( -4.267 -12.378 -6.603) 14.664 28.265 ( 7.757 1.097 -1.133) 7.916 28.898 ( -3.364 7.992 0.152) 8.673 29.204 ( 2.110 -5.577 -0.034) 5.963 29.768 ( -0.579 -3.401 1.475) 3.752 30.291 ( -3.317 4.350 0.542) 5.497 30.587 ( 4.102 1.250 -2.705) 5.070 33.222 ( 9.329 0.801 -7.873) 12.233 33.793 ( -15.361 2.925 10.233) 18.688 35.213 ( 14.537 -3.863 -7.896) 16.988 35.640 ( -5.674 -2.729 4.809) 7.923 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -6.209 -0.727 -1.408) 6.408 1.729 ( -1.901 0.398 1.275) 2.323 1.876 ( 0.421 0.144 -0.060) 0.449 1.924 ( -9.493 -0.952 -0.144) 9.541 2.083 ( -5.206 -0.408 0.095) 5.223 2.129 ( 0.820 2.038 0.152) 2.202 2.163 ( -0.388 -0.858 0.312) 0.992 2.298 ( -3.469 0.538 -0.157) 3.514 2.364 ( -3.909 -1.064 -0.393) 4.071 4.088 ( -9.171 -0.003 -0.184) 9.173 4.963 ( -3.154 1.478 0.948) 3.610 5.107 ( -1.793 -0.769 -1.190) 2.285 5.552 ( -4.029 1.311 -0.527) 4.269 5.774 ( -8.233 -3.145 1.115) 8.884 6.167 ( 12.733 3.163 -0.475) 13.129 6.349 ( 7.545 -1.551 0.341) 7.710 8.533 ( 8.166 -0.061 -0.082) 8.167 12.038 ( -2.183 -0.012 -0.001) 2.183 14.537 ( 2.771 0.112 0.042) 2.774 15.761 ( -8.192 3.846 1.527) 9.178 16.173 ( -9.227 -1.166 -2.058) 9.525 17.445 ( -20.296 -4.652 -0.376) 20.826 18.140 ( 14.955 1.686 -0.306) 15.053 18.858 ( -5.413 1.067 1.008) 5.609 19.314 ( 12.702 3.133 2.864) 13.392 20.018 ( -6.187 2.927 -3.990) 7.922 20.100 ( 6.178 4.450 -9.206) 11.947 20.199 ( 2.996 -13.131 10.826) 17.280 21.274 ( -18.329 8.762 2.932) 20.527 24.061 ( 22.803 -8.136 -3.373) 24.445 24.736 ( 3.697 5.322 -3.199) 7.226 24.821 ( 8.831 2.162 -14.685) 17.272 25.137 ( -11.252 -7.266 14.390) 19.659 25.992 ( -14.110 6.961 12.500) 20.094 26.766 ( -19.231 -11.208 -11.339) 24.981 28.572 ( 20.028 2.749 1.765) 20.292 28.984 ( 4.516 9.719 1.339) 10.801 29.190 ( 2.888 -5.230 -0.958) 6.050 29.700 ( -3.958 -3.672 -0.255) 5.405 30.261 ( -3.536 2.258 0.132) 4.197 30.662 ( 3.631 1.023 0.213) 3.778 33.355 ( 9.395 1.234 -4.873) 10.655 33.525 ( -20.247 -1.682 4.783) 20.872 35.491 ( 22.246 0.153 -1.230) 22.281 35.552 ( -5.283 -0.629 1.318) 5.481 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -10.948 -0.000 0.000) 10.948 1.695 ( -10.688 -0.000 0.000) 10.688 1.719 ( -6.802 -0.000 0.000) 6.802 1.836 ( -9.312 -0.000 0.000) 9.312 1.964 ( -5.239 -0.000 0.000) 5.239 2.152 ( -0.155 -0.000 0.000) 0.155 2.153 ( 0.488 0.000 -0.000) 0.488 2.234 ( -4.218 -0.000 0.000) 4.218 2.283 ( -4.841 -0.000 0.000) 4.841 3.936 ( -8.767 -0.000 0.000) 8.767 4.919 ( -3.192 -0.000 0.000) 3.192 5.068 ( -2.403 -0.000 0.000) 2.403 5.492 ( -3.195 -0.000 0.000) 3.195 5.644 ( -6.064 -0.000 0.000) 6.064 6.383 ( 11.794 0.000 -0.000) 11.794 6.481 ( 8.509 0.000 -0.000) 8.509 8.669 ( 7.995 0.000 -0.000) 7.995 12.001 ( -2.140 -0.000 0.000) 2.140 14.580 ( 2.240 0.000 -0.000) 2.240 15.640 ( -8.962 -0.000 0.000) 8.962 15.993 ( -10.615 -0.000 0.000) 10.615 17.059 ( -23.554 -0.000 0.000) 23.554 18.382 ( 13.835 0.000 -0.000) 13.835 18.780 ( -4.678 -0.000 0.000) 4.678 19.558 ( 12.258 0.000 -0.000) 12.258 19.921 ( -4.489 -0.000 0.000) 4.489 20.128 ( -0.260 -0.000 0.000) 0.260 20.275 ( 7.782 0.000 -0.000) 7.782 21.036 ( -16.113 -0.000 0.000) 16.113 24.354 ( 17.533 0.000 -0.000) 17.533 24.632 ( -6.835 -0.000 0.000) 6.835 24.964 ( -10.344 -0.000 0.000) 10.344 25.119 ( 19.483 0.000 -0.000) 19.483 25.837 ( -12.527 -0.000 0.000) 12.527 26.339 ( -21.462 -0.000 0.000) 21.462 28.826 ( 8.792 0.000 -0.000) 8.792 29.188 ( 2.073 0.000 -0.000) 2.073 29.288 ( 22.608 0.000 -0.000) 22.608 29.577 ( -8.075 -0.000 0.000) 8.075 30.239 ( -0.276 -0.000 0.000) 0.276 30.714 ( 2.190 0.000 -0.000) 2.190 33.201 ( -18.540 -0.000 0.000) 18.540 33.503 ( 8.936 0.000 -0.000) 8.936 35.462 ( -5.729 -0.000 0.000) 5.729 35.871 ( 23.196 0.000 -0.000) 23.196 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 5.753 9.271) 10.911 1.601 ( 0.000 17.049 3.704) 17.447 1.712 ( 0.000 4.634 0.867) 4.714 1.768 ( 0.000 11.406 4.547) 12.279 1.929 ( -0.000 2.205 -1.250) 2.535 2.072 ( -0.000 3.181 -3.942) 5.066 2.137 ( -0.000 3.935 -1.990) 4.410 2.226 ( 0.000 0.815 1.820) 1.994 2.267 ( 0.000 2.636 1.278) 2.930 4.231 ( 0.000 5.817 22.296) 23.042 4.955 ( 0.000 4.099 3.885) 5.648 5.054 ( 0.000 4.770 1.922) 5.143 5.396 ( -0.000 -0.730 -3.458) 3.534 5.533 ( -0.000 4.351 -5.188) 6.771 6.463 ( -0.000 -11.261 -0.150) 11.262 6.584 ( 0.000 -6.194 0.369) 6.205 8.406 ( -0.000 -5.281 -19.584) 20.283 12.089 ( 0.000 0.820 5.651) 5.710 14.373 ( -0.000 0.558 -10.230) 10.245 15.821 ( 0.000 7.382 8.267) 11.083 15.905 ( 0.000 5.260 6.528) 8.383 16.878 ( 0.000 26.837 1.214) 26.865 18.631 ( -0.000 0.934 -4.619) 4.713 18.763 ( 0.000 -19.313 14.313) 24.038 19.307 ( -0.000 4.439 -14.450) 15.116 19.495 ( -0.000 0.869 -21.101) 21.119 20.310 ( 0.000 -14.281 10.779) 17.893 20.866 ( 0.000 8.893 19.292) 21.244 21.151 ( 0.000 9.156 14.667) 17.290 23.413 ( -0.000 -6.843 -37.525) 38.144 23.620 ( -0.000 0.861 -27.983) 27.996 24.941 ( -0.000 30.309 -25.968) 39.912 26.176 ( 0.000 6.487 13.977) 15.409 26.284 ( 0.000 1.937 28.284) 28.350 26.504 ( 0.000 -21.644 40.950) 46.318 28.848 ( -0.000 -4.491 -2.101) 4.958 29.312 ( 0.000 -1.867 3.070) 3.593 29.375 ( 0.000 -25.921 -0.201) 25.922 29.595 ( -0.000 9.925 -1.424) 10.027 30.258 ( 0.000 -3.395 1.915) 3.898 30.549 ( -0.000 -3.523 -10.479) 11.055 32.766 ( -0.000 9.798 -10.648) 14.470 33.861 ( 0.000 3.660 11.822) 12.376 35.209 ( -0.000 -0.538 -10.856) 10.869 36.187 ( 0.000 -16.815 4.474) 17.400 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.912 3.102 5.063) 6.008 1.745 ( 0.008 2.007 2.687) 3.354 1.786 ( 3.253 12.413 2.163) 13.014 1.861 ( 0.578 2.133 -0.444) 2.254 1.993 ( 1.882 8.563 0.986) 8.823 2.091 ( 1.042 1.778 -2.386) 3.153 2.157 ( -0.474 2.020 -0.844) 2.240 2.258 ( 1.781 1.605 1.034) 2.611 2.307 ( 0.689 3.601 0.642) 3.722 4.367 ( -1.780 5.142 18.833) 19.603 5.023 ( 0.488 4.502 4.741) 6.556 5.119 ( 1.681 3.134 4.057) 5.395 5.380 ( 1.562 -0.729 -4.900) 5.194 5.570 ( 1.315 7.184 -6.032) 9.472 6.332 ( -2.342 -12.108 0.062) 12.332 6.503 ( -3.141 -5.744 0.507) 6.566 8.287 ( 1.573 -4.513 -16.553) 17.229 12.115 ( -0.555 0.647 4.405) 4.487 14.354 ( 1.994 0.584 -7.699) 7.974 15.910 ( -1.260 7.725 5.018) 9.298 16.035 ( 6.413 3.628 6.859) 10.066 17.163 ( 3.744 23.780 1.372) 24.112 18.578 ( -6.604 -17.583 7.946) 20.394 18.643 ( 2.912 0.199 -2.989) 4.178 19.277 ( -2.426 4.502 -10.870) 12.013 19.470 ( 6.514 0.670 -15.970) 17.260 20.233 ( 1.476 -13.313 8.028) 15.616 20.814 ( -18.557 6.712 14.972) 24.770 21.467 ( 10.836 13.452 17.897) 24.874 23.196 ( 3.456 -9.995 -35.368) 36.915 23.613 ( 11.883 -1.753 -19.631) 23.014 25.090 ( -3.683 32.281 -27.310) 42.443 26.146 ( -8.946 -22.218 33.048) 40.815 26.373 ( 0.639 -4.648 24.586) 25.030 26.630 ( 2.421 14.525 15.319) 21.249 28.772 ( -4.205 -6.794 -3.281) 8.637 29.078 ( -0.789 -24.357 -4.615) 24.803 29.281 ( -3.619 -1.595 1.734) 4.318 29.710 ( 0.018 10.599 4.593) 11.551 30.245 ( 1.029 -1.584 0.738) 2.029 30.485 ( 2.010 -3.081 -9.995) 10.650 32.836 ( 4.893 5.506 -9.500) 12.021 33.963 ( -1.690 8.892 14.390) 17.000 35.129 ( 0.225 -5.948 -13.599) 14.845 36.020 ( -5.306 -12.679 5.186) 14.690 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.454 1.109 1.808) 2.168 1.778 ( -0.069 1.773 3.554) 3.973 1.861 ( -0.269 -0.130 -1.733) 1.759 1.941 ( 3.306 7.180 0.783) 7.943 2.095 ( 1.485 3.976 0.445) 4.267 2.118 ( 2.056 0.913 -0.779) 2.380 2.153 ( -1.143 1.088 -0.453) 1.642 2.317 ( 2.428 2.131 0.733) 3.313 2.357 ( 1.330 2.659 0.102) 2.975 4.424 ( -4.879 3.282 11.675) 13.073 5.072 ( -1.864 3.356 4.315) 5.776 5.186 ( 0.568 0.936 3.783) 3.938 5.414 ( 6.412 0.820 -4.966) 8.151 5.666 ( 3.741 9.491 -4.640) 11.207 6.166 ( -3.991 -11.680 0.267) 12.346 6.385 ( -5.228 -4.819 0.753) 7.150 8.236 ( 4.300 -2.895 -10.481) 11.693 12.121 ( -1.251 0.396 2.686) 2.989 14.376 ( 3.407 0.488 -4.626) 5.766 15.969 ( -2.561 6.812 3.609) 8.124 16.215 ( 7.759 2.592 4.132) 9.165 17.433 ( 5.395 16.645 0.080) 17.498 18.304 ( -10.371 -15.452 4.346) 19.111 18.720 ( 6.553 1.588 -1.009) 6.818 19.207 ( -4.629 2.228 -8.227) 9.699 19.567 ( 10.422 2.331 -10.248) 14.801 20.181 ( 2.241 -11.207 6.103) 12.957 20.613 ( -17.959 3.977 8.643) 20.323 21.814 ( -0.849 20.188 19.908) 28.366 23.049 ( 14.974 -17.492 -31.335) 38.885 23.773 ( 17.755 -1.357 -11.237) 21.056 25.171 ( -7.742 31.430 -29.023) 43.476 25.846 ( -12.784 -33.016 37.082) 51.270 26.469 ( -7.814 13.676 17.426) 23.489 26.875 ( 10.068 2.657 7.114) 12.610 28.477 ( -12.043 -14.677 -7.777) 20.517 28.967 ( 3.726 -5.336 -2.172) 6.861 29.204 ( -4.441 -1.671 1.566) 4.997 29.795 ( -1.621 4.133 5.340) 6.945 30.284 ( 3.126 2.766 -0.288) 4.184 30.466 ( 3.425 -2.439 -7.276) 8.404 32.933 ( 7.474 1.757 -7.518) 10.746 34.099 ( -3.733 12.820 15.851) 20.725 34.981 ( 0.970 -11.828 -15.003) 19.129 35.850 ( -6.694 -6.350 4.756) 10.380 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.859 0.128 0.143) 0.880 1.797 ( -1.496 0.977 2.756) 3.284 1.850 ( 0.572 -0.146 -1.515) 1.626 2.030 ( 1.555 2.491 0.098) 2.938 2.124 ( 0.577 0.219 0.085) 0.623 2.131 ( -1.003 0.149 -0.117) 1.021 2.165 ( 0.723 1.380 -0.094) 1.561 2.365 ( -0.078 2.019 0.537) 2.091 2.393 ( 1.659 0.010 -0.365) 1.699 4.375 ( -7.858 1.253 4.336) 9.062 5.069 ( -3.178 1.825 2.469) 4.419 5.176 ( -2.189 -0.496 -0.024) 2.245 5.545 ( 7.665 2.424 -2.081) 8.304 5.814 ( 5.264 7.496 -1.139) 9.230 6.003 ( -3.459 -8.301 -0.066) 8.993 6.266 ( -4.140 -3.431 0.776) 5.433 8.278 ( 6.961 -1.120 -3.985) 8.099 12.106 ( -1.873 0.151 1.039) 2.147 14.426 ( 3.871 0.257 -1.792) 4.273 15.979 ( -4.549 4.309 2.070) 6.599 16.329 ( 1.709 1.120 0.862) 2.218 17.663 ( 8.845 9.122 -1.148) 12.758 18.010 ( -12.089 -10.720 2.483) 16.347 18.877 ( 9.324 2.560 3.566) 10.306 19.101 ( -4.996 -0.072 -7.277) 8.827 19.744 ( 11.834 3.229 -5.452) 13.424 20.148 ( 1.791 -7.780 4.229) 9.034 20.393 ( -15.258 1.560 3.241) 15.676 21.901 ( -18.013 14.494 10.289) 25.306 23.156 ( 29.969 -13.406 -15.667) 36.378 24.053 ( 21.382 0.034 -5.039) 21.968 25.152 ( -12.104 23.497 -25.031) 36.403 25.507 ( -11.524 -25.363 29.235) 40.383 26.487 ( -15.036 12.919 13.733) 24.116 27.013 ( 6.895 -8.388 -3.085) 11.287 28.203 ( -3.319 -4.245 -3.782) 6.584 29.001 ( 1.120 4.208 -0.888) 4.445 29.126 ( -1.767 -5.081 0.873) 5.450 29.788 ( -2.820 -0.198 2.038) 3.485 30.358 ( 0.064 3.150 0.888) 3.273 30.494 ( 5.770 -0.779 -3.654) 6.874 33.047 ( 8.843 0.129 -4.061) 9.732 34.134 ( -14.254 7.604 9.433) 18.708 34.904 ( 11.500 -7.793 -8.609) 16.343 35.728 ( -5.787 -1.913 2.544) 6.605 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -3.048 -0.000 0.000) 3.048 1.771 ( -2.443 -0.000 0.000) 2.443 1.863 ( 1.083 0.000 -0.000) 1.083 2.027 ( -3.514 -0.000 0.000) 3.514 2.125 ( -0.709 -0.000 0.000) 0.709 2.127 ( 0.399 0.000 -0.000) 0.399 2.172 ( -0.603 -0.000 0.000) 0.603 2.352 ( -2.468 -0.000 0.000) 2.468 2.401 ( -0.959 -0.000 0.000) 0.959 4.245 ( -9.496 -0.000 0.000) 9.496 5.029 ( -3.475 -0.000 0.000) 3.475 5.133 ( -2.264 -0.000 0.000) 2.264 5.615 ( -1.213 -0.000 0.000) 1.213 5.866 ( -3.878 -0.000 0.000) 3.878 6.000 ( 8.431 0.000 -0.000) 8.431 6.238 ( 3.504 0.000 -0.000) 3.504 8.393 ( 8.395 0.000 -0.000) 8.395 12.075 ( -2.232 -0.000 0.000) 2.232 14.485 ( 3.573 0.000 -0.000) 3.573 15.912 ( -6.886 -0.000 0.000) 6.886 16.295 ( -5.952 -0.000 0.000) 5.952 17.723 ( -16.377 -0.000 0.000) 16.377 17.905 ( 14.202 0.000 -0.000) 14.202 18.969 ( -6.716 -0.000 0.000) 6.716 19.106 ( 13.551 0.000 -0.000) 13.551 19.946 ( 11.754 0.000 -0.000) 11.754 20.135 ( 0.448 0.000 -0.000) 0.448 20.184 ( -11.794 -0.000 0.000) 11.794 21.653 ( -21.058 -0.000 0.000) 21.058 23.568 ( 29.950 0.000 -0.000) 29.950 24.407 ( 22.796 0.000 -0.000) 22.796 24.980 ( -13.818 -0.000 0.000) 13.818 25.294 ( -9.391 -0.000 0.000) 9.391 26.321 ( -16.596 -0.000 0.000) 16.596 26.924 ( -9.374 -0.000 0.000) 9.374 28.286 ( 14.395 0.000 -0.000) 14.395 29.028 ( -2.361 -0.000 0.000) 2.361 29.100 ( 3.694 0.000 -0.000) 3.694 29.741 ( -3.007 -0.000 0.000) 3.007 30.337 ( -3.773 -0.000 0.000) 3.773 30.588 ( 5.852 0.000 -0.000) 5.852 33.191 ( 9.707 0.000 -0.000) 9.707 33.876 ( -21.099 -0.000 0.000) 21.099 35.131 ( 20.256 0.000 -0.000) 20.256 35.638 ( -5.222 -0.000 0.000) 5.222 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.000 1.788 2.782) 3.307 1.775 ( 0.000 1.682 2.788) 3.256 1.865 ( -0.000 0.407 -1.259) 1.323 1.875 ( 0.000 9.861 1.320) 9.949 2.060 ( 0.000 7.221 0.981) 7.287 2.081 ( -0.000 -0.042 -1.317) 1.317 2.175 ( -0.000 1.204 -0.580) 1.336 2.260 ( 0.000 1.504 0.486) 1.580 2.338 ( 0.000 3.435 0.445) 3.464 4.508 ( 0.000 4.212 15.124) 15.700 5.082 ( 0.000 4.549 5.744) 7.328 5.153 ( 0.000 2.242 4.297) 4.846 5.332 ( -0.000 -1.810 -5.549) 5.837 5.604 ( -0.000 8.519 -6.297) 10.594 6.237 ( 0.000 -11.941 0.482) 11.951 6.484 ( 0.000 -4.367 0.396) 4.385 8.163 ( -0.000 -3.651 -13.302) 13.794 12.143 ( 0.000 0.476 3.253) 3.288 14.311 ( -0.000 0.447 -5.516) 5.534 15.999 ( -0.000 7.323 -0.468) 7.338 16.035 ( 0.000 0.540 9.123) 9.139 17.372 ( 0.000 22.748 1.557) 22.801 18.504 ( 0.000 -17.659 6.622) 18.860 18.597 ( -0.000 -0.112 -3.660) 3.662 19.304 ( -0.000 5.557 -8.466) 10.127 19.354 ( -0.000 0.067 -10.888) 10.888 20.136 ( 0.000 -10.842 5.859) 12.324 21.207 ( 0.000 7.373 18.545) 19.957 21.421 ( 0.000 6.812 9.483) 11.676 22.981 ( -0.000 -6.163 -27.606) 28.285 23.398 ( -0.000 -2.513 -15.230) 15.436 25.321 ( -0.000 35.421 -28.221) 45.289 26.125 ( 0.000 -36.291 39.095) 53.343 26.374 ( 0.000 3.963 7.239) 8.253 26.888 ( 0.000 18.506 15.546) 24.170 28.760 ( -0.000 -2.919 -1.232) 3.169 28.796 ( -0.000 -26.781 -6.271) 27.506 29.303 ( 0.000 -1.261 1.661) 2.085 29.845 ( 0.000 11.497 4.931) 12.510 30.220 ( 0.000 -2.043 1.314) 2.429 30.376 ( -0.000 -5.017 -10.521) 11.655 32.801 ( -0.000 3.083 -6.651) 7.331 34.145 ( 0.000 13.043 14.462) 19.475 34.988 ( -0.000 -10.802 -14.342) 17.955 35.983 ( 0.000 -8.464 4.056) 9.385 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.201 0.657 1.007) 1.219 1.802 ( 0.349 1.128 2.400) 2.674 1.857 ( -0.346 -0.188 -1.478) 1.530 1.968 ( 1.389 5.740 0.465) 5.924 2.080 ( 1.306 -1.368 -0.450) 1.944 2.122 ( 0.578 3.459 0.517) 3.545 2.173 ( -0.585 0.369 -0.420) 0.809 2.292 ( 2.167 1.069 0.240) 2.428 2.369 ( 0.372 1.937 0.177) 1.981 4.565 ( -3.294 2.150 7.598) 8.556 5.146 ( -1.056 2.811 4.585) 5.481 5.202 ( 1.515 1.774 4.476) 5.047 5.302 ( 2.935 -2.036 -6.287) 7.232 5.678 ( 2.600 7.612 -3.964) 8.967 6.119 ( -2.483 -8.968 0.668) 9.329 6.426 ( -3.255 -2.447 0.294) 4.083 8.112 ( 2.794 -1.884 -6.815) 7.603 12.151 ( -0.759 0.235 1.606) 1.792 14.314 ( 2.274 0.256 -2.695) 3.535 16.054 ( -0.520 4.113 0.722) 4.208 16.121 ( 6.448 0.282 3.727) 7.452 17.557 ( -0.413 14.359 0.510) 14.374 18.324 ( -6.128 -12.082 2.773) 13.827 18.622 ( 4.733 -0.007 -1.527) 4.973 19.263 ( -3.711 1.148 -4.439) 5.899 19.407 ( 7.443 2.298 -5.403) 9.480 20.087 ( 1.366 -6.380 3.279) 7.302 21.010 ( -22.334 2.768 6.442) 23.409 21.863 ( 24.847 9.752 15.028) 30.632 22.732 ( -8.547 -8.536 -21.584) 24.734 23.455 ( 13.764 -1.326 -7.114) 15.550 25.476 ( -6.198 35.583 -30.052) 46.986 25.863 ( -8.994 -35.515 34.407) 50.260 26.529 ( 10.419 2.346 5.324) 11.933 27.024 ( -8.943 11.255 9.031) 16.977 28.477 ( -7.902 -13.961 -5.262) 16.884 28.804 ( 7.033 -3.533 -0.774) 7.909 29.273 ( -3.284 -0.577 0.746) 3.417 29.922 ( -4.664 5.727 4.805) 8.811 30.240 ( 3.683 1.527 -0.652) 4.040 30.331 ( 4.887 -4.821 -6.024) 9.133 32.829 ( 3.779 1.003 -3.616) 5.326 34.343 ( -0.733 15.836 15.158) 21.934 34.788 ( -1.234 -15.039 -15.040) 21.304 35.906 ( -3.863 -3.599 2.343) 5.776 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.119 -0.000 0.000) 0.119 1.827 ( 0.958 0.000 -0.000) 0.958 1.837 ( -1.280 -0.000 0.000) 1.280 2.020 ( 1.471 0.000 -0.000) 1.471 2.100 ( 1.927 0.000 -0.000) 1.927 2.141 ( -0.162 -0.000 0.000) 0.162 2.169 ( -0.071 -0.000 0.000) 0.071 2.344 ( 3.129 0.000 -0.000) 3.129 2.383 ( 0.133 0.000 -0.000) 0.133 4.512 ( -6.303 -0.000 0.000) 6.303 5.135 ( -2.709 -0.000 0.000) 2.709 5.209 ( -1.974 -0.000 0.000) 1.974 5.395 ( 9.635 0.000 -0.000) 9.635 5.779 ( 5.138 0.000 -0.000) 5.138 6.013 ( -4.403 -0.000 0.000) 4.403 6.341 ( -5.535 -0.000 0.000) 5.535 8.158 ( 5.522 0.000 -0.000) 5.522 12.137 ( -1.457 -0.000 0.000) 1.457 14.360 ( 3.662 0.000 -0.000) 3.662 16.056 ( -2.032 -0.000 0.000) 2.032 16.256 ( 7.599 0.000 -0.000) 7.599 17.627 ( 1.653 0.000 -0.000) 1.653 18.140 ( -9.623 -0.000 0.000) 9.623 18.733 ( 8.816 0.000 -0.000) 8.816 19.181 ( -5.546 -0.000 0.000) 5.546 19.559 ( 10.817 0.000 -0.000) 10.817 20.091 ( 1.869 0.000 -0.000) 1.869 20.694 ( -19.309 -0.000 0.000) 19.309 22.343 ( -19.791 -0.000 0.000) 19.791 22.492 ( 34.049 0.000 -0.000) 34.049 23.707 ( 19.023 0.000 -0.000) 19.023 25.471 ( -15.007 -0.000 0.000) 15.007 25.566 ( -6.863 -0.000 0.000) 6.863 26.768 ( 13.633 0.000 -0.000) 13.633 26.875 ( -16.146 -0.000 0.000) 16.146 28.265 ( -8.150 -0.000 0.000) 8.150 28.913 ( 7.799 0.000 -0.000) 7.799 29.196 ( -5.777 -0.000 0.000) 5.777 29.863 ( -5.329 -0.000 0.000) 5.329 30.357 ( 3.269 0.000 -0.000) 3.269 30.359 ( 7.183 0.000 -0.000) 7.183 32.910 ( 6.735 0.000 -0.000) 6.735 34.444 ( -12.123 -0.000 0.000) 12.123 34.647 ( 8.918 0.000 -0.000) 8.918 35.817 ( -5.522 -0.000 0.000) 5.522 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.243 ( -0.000 0.000 -0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 14.290 ( 0.000 0.000 0.000) 0.000 16.072 ( 0.000 -0.000 0.000) 0.000 16.079 ( -0.000 0.000 -0.000) 0.000 17.644 ( 0.000 0.000 0.000) 0.000 18.318 ( 0.000 0.000 0.000) 0.000 18.577 ( -0.000 0.000 -0.000) 0.000 19.306 ( 0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 0.000) 0.000 20.052 ( 0.000 0.000 0.000) 0.000 21.385 ( 0.000 0.000 0.000) 0.000 21.536 ( 0.000 0.000 0.000) 0.000 22.774 ( 0.000 0.000 0.000) 0.000 23.297 ( 0.000 0.000 0.000) 0.000 25.691 ( 0.000 0.000 0.000) 0.000 25.798 ( -0.000 0.000 -0.000) 0.000 26.446 ( 0.000 0.000 0.000) 0.000 27.199 ( 0.000 0.000 0.000) 0.000 28.449 ( 0.000 0.000 0.000) 0.000 28.725 ( 0.000 0.000 0.000) 0.000 29.299 ( 0.000 0.000 0.000) 0.000 30.039 ( 0.000 0.000 0.000) 0.000 30.207 ( 0.000 0.000 0.000) 0.000 30.220 ( 0.000 0.000 0.000) 0.000 32.795 ( 0.000 0.000 0.000) 0.000 34.515 ( 0.000 0.000 0.000) 0.000 34.637 ( 0.000 0.000 0.000) 0.000 35.927 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 -0.000 22.399) 22.399 0.308 ( 0.000 -0.000 22.399) 22.399 0.601 ( 0.000 -0.000 41.214) 41.214 1.707 ( -0.000 0.000 -0.275) 0.275 1.963 ( -0.000 0.000 -0.040) 0.040 1.987 ( -0.000 0.000 -6.371) 6.371 1.987 ( -0.000 0.000 -6.371) 6.371 2.180 ( 0.000 -0.000 3.220) 3.220 2.180 ( 0.000 -0.000 3.220) 3.220 3.878 ( 0.000 -0.000 14.235) 14.235 4.796 ( 0.000 -0.000 0.585) 0.585 4.796 ( 0.000 -0.000 0.585) 0.585 5.446 ( -0.000 0.000 -0.472) 0.472 5.446 ( -0.000 0.000 -0.472) 0.472 6.801 ( -0.000 0.000 -0.194) 0.194 6.801 ( -0.000 0.000 -0.194) 0.194 8.852 ( -0.000 0.000 -16.226) 16.226 11.988 ( 0.000 -0.000 5.824) 5.824 14.530 ( -0.000 0.000 -15.325) 15.325 15.411 ( 0.000 -0.000 17.285) 17.285 15.563 ( 0.000 -0.000 0.901) 0.901 15.563 ( 0.000 -0.000 0.901) 0.901 18.610 ( -0.000 0.000 -2.373) 2.373 19.505 ( -0.000 0.000 -23.638) 23.638 19.505 ( -0.000 0.000 -23.638) 23.638 20.159 ( 0.000 -0.000 23.082) 23.082 20.159 ( 0.000 -0.000 23.082) 23.082 20.769 ( 0.000 -0.000 4.037) 4.037 20.769 ( 0.000 -0.000 4.037) 4.037 22.385 ( -0.000 0.000 -0.228) 0.228 24.256 ( -0.000 0.000 -29.769) 29.769 24.256 ( -0.000 0.000 -29.769) 29.769 25.598 ( 0.000 -0.000 19.913) 19.913 25.598 ( 0.000 -0.000 19.913) 19.913 29.043 ( -0.000 0.000 -3.598) 3.598 29.043 ( -0.000 0.000 -3.598) 3.598 29.339 ( 0.000 -0.000 4.624) 4.624 29.339 ( 0.000 -0.000 4.624) 4.624 30.377 ( 0.000 -0.000 0.930) 0.930 30.377 ( 0.000 -0.000 0.930) 0.930 31.065 ( -0.000 0.000 -8.760) 8.760 31.288 ( 0.000 -0.000 7.130) 7.130 33.883 ( 0.000 -0.000 3.794) 3.794 35.178 ( -0.000 0.000 -2.494) 2.494 36.868 ( 0.000 -0.000 0.763) 0.763 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 20.607 11.898 11.885) 26.598 0.736 ( 18.748 10.824 14.939) 26.302 0.887 ( 11.848 6.840 28.073) 31.229 1.700 ( -0.369 -0.213 0.314) 0.529 1.945 ( -0.572 -0.330 -2.137) 2.237 1.975 ( 1.876 1.083 -7.043) 7.369 2.007 ( 3.253 1.878 -4.885) 6.163 2.197 ( 0.292 0.169 3.114) 3.132 2.199 ( 0.243 0.140 3.116) 3.129 3.896 ( -1.388 -0.801 22.562) 22.619 4.808 ( 0.989 0.571 0.702) 1.340 4.869 ( 4.347 2.510 -1.126) 5.145 5.441 ( -0.252 -0.146 -0.726) 0.783 5.500 ( 2.203 1.272 -4.357) 5.045 6.766 ( -3.297 -1.903 -0.087) 3.808 6.767 ( -2.796 -1.614 -0.324) 3.245 8.750 ( -1.612 -0.931 -19.895) 19.982 12.008 ( -0.252 -0.145 7.382) 7.388 14.467 ( 0.858 0.496 -15.461) 15.493 15.486 ( -0.214 -0.124 12.960) 12.963 15.636 ( 5.891 3.401 5.943) 9.033 15.930 ( 22.194 12.814 -7.828) 26.796 18.611 ( 1.213 0.700 -3.027) 3.336 19.393 ( -0.826 -0.477 -24.082) 24.101 19.449 ( -8.191 -4.729 9.750) 13.584 19.689 ( -15.026 -8.675 3.448) 17.690 20.180 ( -3.504 -2.023 20.633) 21.026 20.683 ( -1.986 -1.146 14.811) 14.987 20.797 ( -1.010 -0.583 6.017) 6.129 23.404 ( 47.207 27.255 -50.323) 74.188 24.053 ( 0.759 0.438 -35.971) 35.981 24.259 ( 7.310 4.220 -29.932) 31.100 25.640 ( -1.721 -0.994 20.430) 20.526 25.837 ( 10.212 5.896 20.177) 23.370 27.834 ( -71.447 -41.250 88.160) 120.741 28.987 ( -2.809 -1.622 -4.017) 5.163 29.121 ( 4.090 2.361 0.238) 4.728 29.359 ( -0.580 -0.335 5.009) 5.054 30.082 ( -5.393 -3.113 0.601) 6.256 30.355 ( -2.239 -1.292 1.011) 2.776 30.957 ( -10.193 -5.885 -8.858) 14.731 32.191 ( 29.970 17.303 -24.473) 42.386 33.859 ( -3.121 -1.802 5.528) 6.599 35.183 ( 2.011 1.161 -3.976) 4.604 36.738 ( -9.973 -5.758 3.246) 11.964 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 8.183 4.724 17.879) 20.222 1.184 ( 19.788 11.424 6.796) 23.838 1.358 ( 20.141 11.628 8.492) 24.759 1.697 ( -0.095 -0.055 1.198) 1.203 1.924 ( -0.455 -0.263 -2.165) 2.228 2.001 ( 3.184 1.838 -6.241) 7.243 2.070 ( 4.106 2.371 -4.011) 6.210 2.219 ( 0.403 0.233 2.578) 2.620 2.224 ( 1.134 0.655 2.535) 2.854 4.006 ( 1.236 0.713 22.748) 22.792 4.842 ( 1.669 0.964 1.298) 2.323 4.977 ( 5.672 3.275 0.626) 6.580 5.433 ( 0.081 0.047 -1.381) 1.384 5.506 ( 0.777 0.449 -4.136) 4.232 6.656 ( -6.726 -3.883 -0.085) 7.767 6.681 ( -4.920 -2.841 -0.254) 5.687 8.617 ( -1.769 -1.021 -20.490) 20.592 12.039 ( -0.090 -0.052 6.851) 6.852 14.433 ( 2.059 1.189 -13.375) 13.584 15.533 ( 0.576 0.333 7.688) 7.717 15.837 ( 8.486 4.899 9.725) 13.805 16.399 ( 23.097 13.335 -1.189) 26.697 18.636 ( 2.433 1.404 -3.256) 4.300 19.120 ( -22.635 -13.068 25.737) 36.681 19.254 ( -2.204 -1.272 -22.220) 22.366 19.703 ( 11.795 6.810 -27.755) 30.916 20.189 ( -3.951 -2.281 18.023) 18.591 20.719 ( -1.891 -1.092 17.005) 17.145 20.791 ( -1.842 -1.064 6.505) 6.844 23.905 ( 19.495 11.256 -33.730) 40.552 23.982 ( 9.370 5.410 -37.260) 38.800 24.299 ( 8.766 5.061 -30.160) 31.813 25.701 ( -1.391 -0.803 20.509) 20.572 26.211 ( 15.937 9.201 17.858) 25.643 27.037 ( -41.716 -24.085 71.263) 86.016 28.893 ( -4.058 -2.343 -3.511) 5.856 29.232 ( 4.644 2.681 -1.888) 5.685 29.359 ( -1.360 -0.785 4.423) 4.694 29.904 ( -11.489 -6.633 -1.817) 13.390 30.294 ( -3.671 -2.120 1.092) 4.378 30.706 ( -6.939 -4.006 -9.253) 12.240 32.581 ( 17.227 9.946 -13.486) 24.032 33.808 ( -4.150 -2.396 7.583) 8.970 35.222 ( 3.486 2.012 -6.601) 7.732 36.481 ( -14.738 -8.509 3.059) 17.291 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 5.041 2.910 10.290) 11.822 1.591 ( 15.078 8.705 3.698) 17.799 1.676 ( 2.074 1.197 1.790) 2.989 1.786 ( 10.455 6.036 3.790) 12.653 1.913 ( 1.228 0.709 -1.621) 2.154 2.046 ( 2.733 1.578 -3.983) 5.081 2.133 ( 2.568 1.482 -1.948) 3.547 2.240 ( 0.753 0.434 1.562) 1.788 2.278 ( 3.267 1.886 1.294) 3.988 4.126 ( 0.368 0.213 19.409) 19.414 4.884 ( 1.265 0.730 2.224) 2.661 5.105 ( 4.468 2.580 3.189) 6.066 5.439 ( 1.386 0.800 -2.255) 2.765 5.529 ( 4.224 2.439 -5.338) 7.231 6.476 ( -9.714 -5.608 -0.033) 11.217 6.561 ( -5.779 -3.337 0.032) 6.673 8.504 ( -0.313 -0.180 -17.569) 17.572 12.062 ( -0.448 -0.258 5.419) 5.444 14.435 ( 2.892 1.669 -10.167) 10.701 15.581 ( 0.851 0.491 5.859) 5.941 16.062 ( 7.695 4.443 8.307) 12.164 16.912 ( 23.314 13.460 1.812) 26.981 18.690 ( 3.757 2.169 -2.144) 4.839 18.750 ( -20.112 -11.611 14.620) 27.442 19.108 ( -2.560 -1.478 -17.735) 17.980 19.839 ( 11.342 6.548 -25.017) 28.237 20.163 ( -5.042 -2.911 13.521) 14.721 20.744 ( -3.396 -1.961 18.876) 19.279 20.785 ( -1.344 -0.776 6.569) 6.749 24.029 ( 13.928 8.042 -37.399) 40.711 24.150 ( 11.563 6.676 -18.040) 22.443 24.360 ( 9.291 5.364 -30.480) 32.312 25.757 ( -2.070 -1.195 20.281) 20.422 26.512 ( -30.825 -17.797 52.417) 63.360 26.691 ( 17.201 9.931 19.917) 28.128 28.791 ( -3.839 -2.216 -2.456) 5.068 29.111 ( -17.390 -10.040 -8.737) 21.898 29.342 ( -1.689 -0.975 3.250) 3.790 29.740 ( 1.054 0.608 2.293) 2.596 30.215 ( -3.843 -2.219 1.154) 4.585 30.589 ( -0.836 -0.482 -9.540) 9.589 32.869 ( 14.545 8.398 -11.407) 20.302 33.761 ( -3.946 -2.278 12.020) 12.855 35.262 ( 3.469 2.003 -10.278) 11.031 36.150 ( -16.440 -9.492 4.592) 19.531 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.524 0.880 3.018) 3.494 1.699 ( -0.129 -0.075 4.338) 4.340 1.864 ( 0.075 0.043 -1.180) 1.183 1.866 ( 9.237 5.333 1.380) 10.755 2.041 ( 5.934 3.426 0.876) 6.908 2.067 ( -0.113 -0.065 -1.317) 1.324 2.162 ( 0.855 0.493 -0.526) 1.118 2.266 ( 1.091 0.630 0.437) 1.333 2.366 ( 3.734 2.156 0.361) 4.326 4.179 ( -2.468 -1.425 12.938) 13.248 4.910 ( 0.031 0.018 2.748) 2.748 5.165 ( -0.133 -0.077 2.601) 2.605 5.472 ( 2.403 1.388 -2.621) 3.817 5.674 ( 11.055 6.382 -4.379) 13.495 6.243 ( -11.546 -6.666 0.485) 13.341 6.447 ( -4.332 -2.501 0.436) 5.021 8.457 ( 2.274 1.313 -12.018) 12.302 12.066 ( -0.991 -0.572 3.554) 3.734 14.463 ( 3.138 1.812 -6.622) 7.548 15.617 ( 0.057 0.033 5.091) 5.091 16.217 ( 3.404 1.965 4.074) 5.661 17.400 ( 20.180 11.651 1.399) 23.343 18.370 ( -19.360 -11.178 7.604) 23.613 18.779 ( 4.189 2.418 0.930) 4.925 19.004 ( -0.031 -0.018 -11.063) 11.063 19.964 ( 9.975 5.759 -22.313) 25.111 20.095 ( -5.459 -3.152 7.454) 9.763 20.740 ( -5.202 -3.003 20.445) 21.309 20.786 ( -1.438 -0.830 5.903) 6.132 24.198 ( 15.317 8.843 -35.290) 39.474 24.322 ( 11.191 6.461 -7.509) 14.945 24.419 ( 8.751 5.052 -30.669) 32.291 25.789 ( -3.484 -2.011 19.880) 20.282 26.063 ( -30.176 -17.422 48.073) 59.373 27.186 ( 18.691 10.791 10.393) 23.955 28.564 ( -23.370 -13.492 -11.451) 29.314 28.716 ( -2.011 -1.161 -1.086) 2.563 29.318 ( -1.521 -0.878 1.759) 2.485 29.854 ( 4.811 2.778 3.323) 6.473 30.148 ( -2.566 -1.481 1.185) 3.191 30.556 ( 1.448 0.836 -8.155) 8.325 33.098 ( 11.342 6.548 -13.307) 18.671 33.744 ( -4.268 -2.464 16.823) 17.530 35.282 ( 3.971 2.293 -13.707) 14.453 35.850 ( -12.772 -7.374 7.549) 16.568 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -2.530 -1.461 -1.103) 3.123 1.709 ( -0.788 -0.455 4.298) 4.393 1.866 ( 0.581 0.336 -0.431) 0.798 1.997 ( -1.231 -0.710 -0.133) 1.427 2.035 ( 1.276 0.737 0.369) 1.519 2.105 ( -0.236 -0.136 0.521) 0.588 2.172 ( 0.269 0.155 -0.065) 0.317 2.280 ( -0.173 -0.100 -0.019) 0.201 2.408 ( -0.399 -0.230 -0.477) 0.663 4.134 ( -5.465 -3.155 6.176) 8.830 4.912 ( -0.836 -0.483 2.492) 2.672 5.146 ( -1.593 -0.919 -0.199) 1.850 5.502 ( 0.962 0.556 -2.111) 2.385 5.922 ( 8.456 4.882 -3.079) 10.239 6.006 ( -6.520 -3.764 2.209) 7.846 6.397 ( -0.057 -0.033 0.706) 0.709 8.495 ( 4.900 2.829 -6.114) 8.331 12.051 ( -1.502 -0.867 1.797) 2.497 14.507 ( 2.907 1.678 -3.506) 4.854 15.624 ( -1.528 -0.882 4.837) 5.148 16.231 ( -2.796 -1.615 -0.851) 3.339 17.704 ( -0.067 -0.038 -1.452) 1.454 18.055 ( -4.404 -2.543 4.348) 6.690 18.816 ( -0.906 -0.523 -1.479) 1.811 19.079 ( 8.785 5.072 2.947) 10.564 20.001 ( -4.779 -2.759 1.075) 5.623 20.070 ( 8.721 5.035 -20.918) 23.216 20.704 ( -6.931 -4.001 22.251) 23.646 20.768 ( -2.390 -1.380 4.097) 4.939 24.340 ( 9.994 5.770 -20.811) 23.796 24.456 ( 7.273 4.199 -30.478) 31.614 24.599 ( 17.449 10.074 -11.430) 23.165 25.646 ( -26.727 -15.431 42.320) 52.378 25.784 ( -5.110 -2.951 19.317) 20.198 27.335 ( -12.494 -7.213 -7.731) 16.367 28.311 ( 9.928 5.732 -0.291) 11.468 28.701 ( 0.849 0.490 0.310) 1.028 29.295 ( -0.973 -0.562 0.291) 1.161 29.903 ( -1.801 -1.040 1.291) 2.447 30.121 ( -0.289 -0.167 1.171) 1.218 30.586 ( 3.773 2.178 -4.072) 5.963 33.241 ( 7.666 4.426 -14.589) 17.065 33.676 ( -9.697 -5.599 16.773) 20.167 35.366 ( 10.211 5.895 -12.718) 17.343 35.674 ( -7.134 -4.119 9.304) 12.427 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -7.012 -4.048 -1.749) 8.283 1.706 ( -0.850 -0.491 2.502) 2.688 1.844 ( -10.617 -6.130 -0.131) 12.260 1.875 ( -0.445 -0.257 -0.099) 0.524 2.035 ( -6.359 -3.671 0.321) 7.349 2.097 ( 2.113 1.220 0.705) 2.540 2.174 ( -0.184 -0.106 0.335) 0.397 2.254 ( -2.109 -1.218 -0.337) 2.459 2.348 ( -4.213 -2.433 -0.802) 4.931 4.011 ( -7.175 -4.143 2.048) 8.534 4.899 ( -1.275 -0.736 1.965) 2.456 5.107 ( -1.661 -0.959 -1.343) 2.342 5.490 ( -1.068 -0.617 -1.342) 1.823 5.757 ( -9.091 -5.249 0.672) 10.519 6.226 ( 12.401 7.160 -0.420) 14.326 6.451 ( 4.317 2.492 0.712) 5.035 8.603 ( 6.447 3.722 -2.395) 7.820 12.020 ( -1.798 -1.038 0.703) 2.192 14.554 ( 2.444 1.411 -1.669) 3.279 15.592 ( -3.443 -1.988 4.873) 6.289 16.103 ( -7.493 -4.326 -3.462) 9.318 17.363 ( -21.696 -12.526 -1.069) 25.075 18.245 ( 12.319 7.113 0.501) 14.234 18.773 ( -2.000 -1.155 -1.536) 2.774 19.347 ( 11.495 6.637 12.103) 17.963 19.903 ( -3.473 -2.005 -3.970) 5.642 20.147 ( 6.987 4.034 -21.997) 23.430 20.643 ( -8.285 -4.783 24.789) 26.571 20.721 ( -2.892 -1.670 1.522) 3.670 24.457 ( 5.332 3.078 -29.944) 30.570 24.461 ( 8.740 5.046 -15.266) 18.300 24.943 ( 17.606 10.165 -7.603) 21.704 25.294 ( -21.867 -12.625 36.613) 44.475 25.744 ( -6.345 -3.663 18.661) 20.048 26.802 ( -24.941 -14.399 -16.764) 33.323 28.754 ( 3.544 2.046 1.360) 4.313 28.773 ( 25.144 14.517 4.416) 29.368 29.280 ( -0.274 -0.158 -0.733) 0.798 29.802 ( -6.678 -3.855 -0.809) 7.753 30.146 ( 2.007 1.159 1.103) 2.567 30.661 ( 3.568 2.060 -0.949) 4.227 33.250 ( -3.772 -2.177 -12.229) 12.981 33.550 ( -4.038 -2.331 12.419) 13.266 35.494 ( -0.300 -0.173 -5.574) 5.585 35.716 ( 12.269 7.083 4.914) 14.995 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -11.567 -6.678 0.536) 13.367 1.541 ( -17.110 -9.878 0.287) 19.759 1.687 ( -6.733 -3.887 1.411) 7.902 1.724 ( -9.774 -5.643 -0.964) 11.327 1.942 ( -0.603 -0.348 0.391) 0.798 2.132 ( 0.827 0.477 1.351) 1.654 2.169 ( -0.390 -0.225 0.217) 0.499 2.191 ( -3.152 -1.820 -1.094) 3.801 2.246 ( -4.567 -2.637 -0.403) 5.289 3.862 ( -6.835 -3.946 2.118) 8.171 4.874 ( -1.747 -1.009 1.533) 2.533 5.053 ( -3.066 -1.770 -1.071) 3.698 5.459 ( -1.019 -0.588 -0.880) 1.470 5.609 ( -4.414 -2.549 0.079) 5.098 6.470 ( 9.984 5.764 -0.355) 11.534 6.569 ( 5.794 3.345 0.578) 6.716 8.737 ( 6.381 3.684 -2.241) 7.702 11.984 ( -1.736 -1.002 0.742) 2.138 14.594 ( 1.937 1.118 -2.102) 3.070 15.520 ( -5.159 -2.978 5.303) 7.975 15.905 ( -8.731 -5.041 -2.742) 10.448 16.872 ( -22.312 -12.882 -0.778) 25.776 18.505 ( 11.312 6.531 0.591) 13.075 18.721 ( -2.171 -1.253 -1.032) 2.711 19.633 ( 8.472 4.891 6.169) 11.566 19.837 ( -0.723 -0.418 3.583) 3.679 20.155 ( 2.839 1.639 -24.197) 24.418 20.582 ( -7.559 -4.364 26.149) 27.568 20.668 ( -1.715 -0.990 -1.359) 2.402 24.419 ( 3.678 2.123 -29.442) 29.747 24.571 ( 8.305 4.795 -21.453) 23.498 25.019 ( -16.373 -9.453 26.442) 32.506 25.296 ( 14.358 8.289 9.186) 18.954 25.684 ( -6.721 -3.880 18.231) 19.814 26.215 ( -21.310 -12.303 -14.844) 28.738 28.857 ( 4.911 2.835 1.621) 5.898 29.277 ( 0.537 0.310 -0.787) 1.002 29.277 ( 13.711 7.916 4.476) 16.453 29.683 ( 0.918 0.530 -2.540) 2.752 30.211 ( 3.347 1.933 1.000) 3.992 30.723 ( 2.844 1.642 -0.856) 3.394 33.015 ( -11.564 -6.676 -4.097) 13.967 33.614 ( 4.257 2.458 3.830) 6.232 35.408 ( -4.600 -2.656 -1.562) 5.537 36.085 ( 17.727 10.235 1.310) 20.511 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -14.846 -8.571 8.547) 19.156 1.114 ( -22.306 -12.879 2.037) 25.838 1.255 ( -24.615 -14.212 1.292) 28.452 1.699 ( -0.098 -0.056 0.068) 0.132 1.946 ( 0.437 0.252 -0.199) 0.543 2.113 ( -3.076 -1.776 -2.953) 4.619 2.134 ( -3.165 -1.828 -3.803) 5.275 2.151 ( 0.163 0.094 2.473) 2.480 2.175 ( -1.405 -0.811 3.286) 3.664 3.751 ( -4.806 -2.775 6.056) 8.214 4.840 ( -1.876 -1.083 1.153) 2.454 4.967 ( -4.089 -2.361 -0.954) 4.817 5.444 ( -0.101 -0.058 -0.650) 0.660 5.560 ( -0.434 -0.251 -1.185) 1.286 6.652 ( 6.841 3.950 -0.306) 7.905 6.690 ( 4.837 2.792 0.347) 5.595 8.844 ( 4.842 2.796 -5.492) 7.837 11.956 ( -1.270 -0.734 2.122) 2.580 14.613 ( 1.273 0.735 -5.750) 5.935 15.428 ( -5.561 -3.210 7.498) 9.871 15.724 ( -6.930 -4.001 -0.217) 8.005 16.415 ( -18.806 -10.858 -1.551) 21.771 18.671 ( -1.897 -1.095 -1.131) 2.465 18.759 ( 11.175 6.452 7.141) 14.748 19.667 ( 1.052 0.607 -18.836) 18.875 19.977 ( 2.643 1.526 28.463) 28.626 20.038 ( -3.615 -2.087 -23.533) 23.900 20.564 ( -4.125 -2.382 21.979) 22.489 20.650 ( 1.372 0.792 -3.044) 3.431 24.357 ( 3.012 1.739 -29.323) 29.528 24.562 ( 2.899 1.674 -50.055) 50.167 24.788 ( -12.697 -7.331 8.514) 16.954 25.626 ( -6.084 -3.513 18.380) 19.676 25.678 ( 4.370 2.523 25.549) 26.042 25.827 ( -2.842 -1.641 22.501) 22.739 28.967 ( 4.394 2.537 0.590) 5.108 29.284 ( -7.393 -4.268 2.139) 8.800 29.286 ( 0.660 0.381 0.303) 0.820 29.912 ( 12.680 7.321 -1.166) 14.688 30.290 ( 3.273 1.890 0.911) 3.888 30.817 ( 7.684 4.437 -2.628) 9.254 32.755 ( -10.634 -6.139 -5.025) 13.267 33.725 ( 4.338 2.504 2.135) 5.445 35.300 ( -4.314 -2.491 -2.038) 5.382 36.448 ( 14.430 8.331 1.458) 16.726 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 0.000 21.739 13.682) 25.686 0.785 ( 0.000 22.155 13.493) 25.941 1.016 ( 0.000 8.709 28.248) 29.560 1.704 ( 0.000 -0.210 0.872) 0.897 1.927 ( -0.000 0.290 -4.829) 4.838 1.951 ( -0.000 2.917 -7.647) 8.184 1.983 ( -0.000 2.826 -3.161) 4.240 2.208 ( 0.000 -0.028 2.962) 2.962 2.214 ( 0.000 0.445 2.828) 2.862 4.010 ( 0.000 -1.230 25.926) 25.955 4.823 ( 0.000 1.908 1.235) 2.273 4.854 ( -0.000 4.409 -0.888) 4.498 5.434 ( -0.000 -0.616 -0.959) 1.140 5.483 ( -0.000 2.262 -3.587) 4.241 6.759 ( -0.000 -4.044 -0.347) 4.059 6.773 ( -0.000 -2.861 -0.130) 2.864 8.647 ( -0.000 -1.950 -23.753) 23.833 12.045 ( 0.000 -0.277 8.077) 8.081 14.394 ( -0.000 0.943 -15.654) 15.682 15.570 ( 0.000 2.053 10.282) 10.485 15.657 ( 0.000 5.095 9.917) 11.149 15.887 ( -0.000 25.256 -5.729) 25.898 18.594 ( -0.000 1.207 -3.643) 3.837 19.303 ( -0.000 0.439 -20.477) 20.482 19.382 ( -0.000 5.007 -19.187) 19.830 19.702 ( 0.000 -37.046 26.846) 45.751 20.465 ( 0.000 5.631 24.274) 24.919 20.726 ( 0.000 -6.784 4.443) 8.110 20.821 ( 0.000 2.880 13.212) 13.522 23.130 ( -0.000 43.132 -36.412) 56.446 23.823 ( -0.000 -6.391 -37.361) 37.904 24.179 ( -0.000 16.139 -32.581) 36.359 25.799 ( 0.000 4.839 20.787) 21.343 25.865 ( 0.000 5.178 19.314) 19.996 28.126 ( 0.000 -76.459 63.673) 99.500 28.997 ( -0.000 -1.822 -3.866) 4.274 29.172 ( 0.000 5.041 4.188) 6.554 29.368 ( 0.000 -1.546 5.424) 5.640 30.078 ( 0.000 -8.349 0.294) 8.354 30.370 ( 0.000 -2.053 1.504) 2.545 30.914 ( -0.000 -11.620 -9.772) 15.183 32.089 ( -0.000 36.055 -20.221) 41.339 33.884 ( 0.000 -3.647 6.484) 7.439 35.164 ( -0.000 1.840 -4.540) 4.899 36.756 ( 0.000 -10.967 2.874) 11.338 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 7.152 11.746 13.412) 19.209 1.120 ( 9.673 17.921 10.393) 22.864 1.297 ( 9.193 15.579 13.909) 22.819 1.708 ( -0.156 0.205 2.178) 2.193 1.914 ( 0.102 0.187 -3.406) 3.413 1.961 ( 1.428 4.094 -7.077) 8.299 2.023 ( 2.700 3.918 -3.993) 6.211 2.224 ( 0.505 0.125 2.533) 2.586 2.232 ( 0.117 0.574 2.316) 2.389 4.127 ( -0.448 1.185 27.240) 27.270 4.853 ( 0.331 3.037 1.575) 3.438 4.933 ( 4.017 4.576 0.408) 6.103 5.422 ( 0.072 -0.751 -1.552) 1.726 5.484 ( 0.313 0.729 -3.996) 4.074 6.687 ( -2.932 -6.006 -0.321) 6.691 6.714 ( -3.059 -4.092 -0.087) 5.109 8.513 ( -0.166 -2.129 -24.604) 24.697 12.076 ( -0.354 -0.086 7.669) 7.677 14.351 ( 1.666 1.597 -13.859) 14.050 15.611 ( -2.203 4.742 6.221) 8.127 15.813 ( 5.938 4.965 12.468) 14.675 16.241 ( 14.497 22.861 -2.281) 27.166 18.602 ( 1.477 1.694 -3.923) 4.521 19.186 ( -3.307 -1.111 -17.907) 18.244 19.356 ( -7.974 -20.906 21.422) 30.977 19.470 ( 4.997 1.384 -21.066) 21.695 20.459 ( -14.399 7.257 19.708) 25.464 20.679 ( 1.107 -10.016 8.807) 13.383 20.951 ( -0.130 8.276 12.682) 15.144 23.509 ( 22.097 16.777 -30.815) 41.464 23.652 ( 7.023 -4.922 -37.579) 38.545 24.218 ( 1.315 19.930 -32.198) 37.890 25.871 ( -5.034 5.428 20.192) 21.506 26.142 ( 12.046 8.231 16.995) 22.398 27.561 ( -24.167 -49.708 63.009) 83.815 28.934 ( -3.309 -1.755 -3.676) 5.248 29.225 ( -0.641 6.703 1.812) 6.973 29.392 ( 0.551 0.076 4.658) 4.691 29.939 ( -5.517 -12.036 -3.016) 13.580 30.333 ( -2.394 -2.289 1.492) 3.632 30.706 ( -5.041 -9.322 -9.994) 14.567 32.403 ( 11.909 19.663 -14.700) 27.287 33.865 ( -1.953 -3.148 8.031) 8.844 35.172 ( 1.543 2.244 -6.516) 7.062 36.582 ( -8.189 -13.134 3.036) 15.773 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.618 3.820 10.135) 11.419 1.497 ( 11.653 14.188 5.524) 19.173 1.644 ( 8.115 9.696 3.180) 13.037 1.744 ( 3.267 3.784 5.566) 7.481 1.902 ( 0.053 0.496 -2.178) 2.234 2.007 ( 2.567 4.223 -5.206) 7.178 2.094 ( 3.153 3.292 -2.854) 5.378 2.247 ( 0.307 0.768 1.738) 1.925 2.259 ( 1.743 1.184 1.531) 2.605 4.245 ( -1.559 1.321 24.179) 24.266 4.902 ( 0.485 3.488 2.615) 4.386 5.066 ( 5.568 4.301 3.046) 7.667 5.414 ( 0.914 -0.121 -2.728) 2.879 5.480 ( 1.225 1.519 -5.232) 5.584 6.546 ( -6.285 -7.453 -0.330) 9.755 6.605 ( -4.664 -5.092 0.139) 6.906 8.397 ( 1.318 -1.338 -21.857) 21.938 12.098 ( -0.824 -0.206 6.292) 6.349 14.353 ( 3.149 2.135 -11.001) 11.640 15.653 ( -2.149 5.896 5.625) 8.427 16.026 ( 7.366 4.944 10.201) 13.519 16.716 ( 18.943 19.106 0.832) 26.918 18.643 ( 3.267 2.375 -3.061) 5.067 18.948 ( -13.133 -17.905 8.363) 23.728 19.119 ( -7.134 0.195 -8.174) 10.851 19.576 ( 12.246 3.674 -22.104) 25.536 20.374 ( -12.438 4.126 15.279) 20.129 20.644 ( 2.489 -12.398 9.506) 15.820 21.069 ( -5.728 13.693 14.599) 20.819 23.616 ( 15.410 -4.851 -36.660) 40.062 23.831 ( 19.407 4.457 -20.330) 28.457 24.291 ( 0.999 21.401 -31.367) 37.986 25.933 ( -5.092 5.641 19.941) 21.340 26.530 ( 16.146 8.976 13.151) 22.676 27.028 ( -25.130 -34.983 56.558) 71.092 28.832 ( -4.859 -2.195 -3.336) 6.289 29.227 ( -7.134 -1.291 -3.094) 7.883 29.393 ( -4.869 -1.149 0.854) 5.076 29.707 ( -0.955 -9.605 1.197) 9.726 30.270 ( -3.557 -1.477 1.160) 4.023 30.552 ( -1.415 -2.112 -10.454) 10.759 32.691 ( 12.332 12.342 -11.685) 20.998 33.847 ( -2.526 -1.442 11.395) 11.761 35.186 ( 2.184 1.271 -9.773) 10.094 36.296 ( -12.380 -13.751 3.914) 18.912 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 1.396 1.309 3.639) 4.111 1.728 ( 0.062 1.273 4.928) 5.090 1.792 ( 8.732 8.891 2.405) 12.692 1.856 ( 0.425 0.448 -1.283) 1.424 1.989 ( 6.297 6.251 1.561) 9.009 2.061 ( 1.353 2.839 -2.391) 3.951 2.144 ( 1.560 0.927 -0.924) 2.036 2.269 ( 0.391 1.676 0.814) 1.904 2.328 ( 3.693 2.485 0.536) 4.483 4.299 ( -4.365 -0.166 17.621) 18.155 4.946 ( -0.812 2.823 3.719) 4.739 5.176 ( 1.282 0.957 4.033) 4.339 5.436 ( 2.591 1.896 -3.629) 4.845 5.550 ( 7.778 5.538 -5.533) 11.036 6.344 ( -9.078 -8.116 -0.128) 12.178 6.480 ( -4.278 -5.425 0.568) 6.932 8.346 ( 3.956 0.185 -16.252) 16.728 12.101 ( -1.424 -0.477 4.487) 4.731 14.390 ( 3.920 2.361 -7.824) 9.064 15.696 ( -2.756 5.955 5.592) 8.621 16.208 ( 4.318 3.898 5.885) 8.275 17.197 ( 19.418 14.273 1.417) 24.141 18.571 ( -16.221 -16.969 7.662) 24.693 18.736 ( 5.011 3.367 1.211) 6.157 19.006 ( -4.138 4.372 -12.120) 13.532 19.710 ( 12.335 1.922 -19.320) 23.002 20.265 ( -11.300 1.797 9.606) 14.940 20.614 ( 3.433 -14.198 10.569) 18.029 21.147 ( -10.746 16.314 15.698) 25.060 23.715 ( 21.508 -4.710 -35.223) 41.538 24.082 ( 17.510 1.546 -10.155) 20.301 24.359 ( 0.196 20.406 -30.607) 36.786 25.983 ( -6.536 5.565 19.830) 21.608 26.502 ( -23.586 -28.658 44.204) 57.720 27.014 ( 17.932 6.953 13.897) 23.728 28.654 ( -11.393 -12.557 -8.631) 19.026 28.885 ( -16.937 -0.574 -5.439) 17.798 29.324 ( -0.691 -3.910 1.868) 4.388 29.782 ( 6.508 0.459 5.293) 8.402 30.215 ( -3.271 1.338 0.849) 3.634 30.501 ( 1.080 0.948 -10.156) 10.257 32.927 ( 11.020 8.264 -11.748) 18.104 33.866 ( -2.793 0.613 16.000) 16.254 35.172 ( 2.650 -0.730 -13.619) 13.893 35.993 ( -11.729 -11.442 5.856) 17.400 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -1.352 -0.413 0.176) 1.424 1.749 ( -1.364 0.357 4.727) 4.933 1.856 ( 0.585 0.286 -0.864) 1.082 1.971 ( 4.713 4.389 0.500) 6.460 2.065 ( -2.193 0.730 -0.307) 2.331 2.103 ( 1.844 2.056 0.783) 2.870 2.164 ( 0.894 0.172 -0.281) 0.952 2.292 ( -0.270 1.834 0.211) 1.865 2.399 ( 1.740 1.137 -0.286) 2.098 4.256 ( -7.375 -1.968 10.698) 13.142 4.959 ( -2.226 1.741 3.841) 4.769 5.168 ( -2.118 -1.175 0.733) 2.530 5.486 ( 1.832 3.207 -3.492) 5.083 5.777 ( 12.978 7.767 -2.814) 15.384 6.109 ( -10.199 -7.913 0.590) 12.922 6.388 ( -1.067 -4.285 0.940) 4.515 8.383 ( 6.611 1.800 -10.105) 12.209 12.083 ( -1.964 -0.741 2.804) 3.503 14.448 ( 3.921 2.251 -5.100) 6.815 15.719 ( -4.149 5.068 5.927) 8.834 16.270 ( -1.849 1.312 0.807) 2.407 17.598 ( 14.414 8.148 -0.291) 16.560 18.185 ( -15.150 -13.552 5.370) 21.024 18.843 ( -0.421 3.305 1.304) 3.578 19.004 ( 6.232 6.063 -4.587) 9.830 19.835 ( 10.948 1.670 -17.332) 20.568 20.132 ( -9.880 1.076 3.175) 10.433 20.580 ( 3.399 -15.719 11.649) 19.858 21.162 ( -14.648 15.803 15.551) 26.573 23.885 ( 23.151 -4.716 -33.150) 40.708 24.363 ( 16.193 6.954 -9.721) 20.126 24.403 ( 1.564 14.081 -21.543) 25.784 25.999 ( -8.594 4.507 19.694) 21.956 26.048 ( -23.147 -25.904 40.661) 53.480 27.319 ( 4.710 -4.605 -0.905) 6.649 28.266 ( -5.578 -4.756 -7.414) 10.426 28.765 ( -4.624 5.665 -0.195) 7.315 29.290 ( -0.146 -3.412 0.677) 3.482 29.863 ( 2.301 -4.376 3.620) 6.128 30.200 ( -3.362 4.852 1.317) 6.048 30.519 ( 4.041 3.021 -7.454) 9.001 33.097 ( 8.549 5.808 -12.326) 16.086 33.862 ( -8.317 -1.775 17.257) 19.239 35.182 ( 8.563 0.700 -14.096) 16.508 35.777 ( -7.519 -7.315 7.214) 12.732 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.039 -1.778 0.021) 5.343 1.736 ( -1.858 -0.266 2.414) 3.058 1.872 ( 0.716 0.348 0.167) 0.813 1.956 ( -7.407 -2.304 -0.024) 7.757 2.083 ( 2.013 2.743 0.328) 3.418 2.099 ( -3.399 -0.936 0.482) 3.558 2.174 ( 0.130 -0.145 0.205) 0.283 2.285 ( -2.193 0.587 -0.028) 2.271 2.386 ( -2.816 -1.274 -0.737) 3.177 4.132 ( -9.132 -3.098 6.376) 11.561 4.946 ( -2.731 1.036 3.216) 4.344 5.121 ( -1.926 -1.143 -0.668) 2.337 5.505 ( -1.028 2.104 -2.691) 3.568 5.863 ( -9.619 -4.991 -1.031) 10.886 6.073 ( 13.318 5.565 0.119) 14.434 6.389 ( 4.082 -1.663 0.975) 4.514 8.492 ( 8.142 2.799 -6.134) 10.571 12.051 ( -2.256 -0.883 1.787) 3.011 14.508 ( 3.341 1.910 -3.664) 5.314 15.706 ( -5.924 3.293 6.599) 9.459 16.186 ( -7.406 -1.415 -2.277) 7.876 17.581 ( -16.719 -8.720 -1.289) 18.900 18.107 ( 10.763 2.169 3.813) 11.623 18.814 ( -3.762 2.430 -2.838) 5.302 19.248 ( 13.253 6.002 5.986) 15.732 19.924 ( 4.290 1.557 -12.410) 13.222 20.013 ( -3.763 2.374 -6.132) 7.576 20.534 ( 3.067 -16.324 11.921) 20.444 21.108 ( -16.586 12.393 14.669) 25.375 24.066 ( 20.449 -1.938 -31.336) 37.468 24.401 ( -0.691 14.977 -31.773) 35.133 24.731 ( 19.380 3.559 10.060) 22.123 25.638 ( -20.096 -21.919 34.509) 45.554 25.968 ( -10.311 2.957 18.715) 21.571 26.972 ( -21.202 -15.998 -14.545) 30.283 28.484 ( 21.926 7.802 2.280) 23.384 28.796 ( 0.550 8.777 0.898) 8.840 29.264 ( 0.565 -2.837 -0.280) 2.906 29.815 ( -2.360 -7.223 0.964) 7.660 30.194 ( -3.138 4.559 1.143) 5.651 30.607 ( 4.912 3.596 -3.722) 7.135 33.203 ( 4.156 5.520 -13.628) 15.280 33.704 ( -12.595 -7.307 15.722) 21.429 35.360 ( 14.175 5.619 -12.397) 19.652 35.674 ( -1.315 -4.688 9.032) 10.261 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -9.513 -2.813 2.828) 10.316 1.713 ( -1.878 -0.680 0.897) 2.189 1.747 ( -14.026 -3.667 0.502) 14.506 1.855 ( -5.584 -1.521 -0.012) 5.788 1.982 ( -6.705 -1.988 0.355) 7.002 2.128 ( 0.991 1.415 0.023) 1.728 2.169 ( -0.191 -0.698 0.012) 0.724 2.236 ( -3.653 -0.340 0.070) 3.669 2.301 ( -4.714 -1.740 -0.321) 5.035 3.979 ( -8.853 -3.047 6.251) 11.258 4.920 ( -2.919 0.320 2.442) 3.819 5.078 ( -2.137 -1.030 -0.506) 2.426 5.478 ( -2.118 0.744 -1.899) 2.940 5.675 ( -7.208 -3.210 -1.021) 7.956 6.334 ( 12.205 4.512 -0.299) 13.016 6.484 ( 7.098 0.356 0.722) 7.144 8.628 ( 8.033 2.826 -5.830) 10.320 12.014 ( -2.156 -0.825 1.876) 2.975 14.554 ( 2.393 1.479 -4.355) 5.184 15.647 ( -7.426 0.670 7.552) 10.613 16.010 ( -9.775 -2.308 -1.976) 10.237 17.146 ( -23.259 -8.770 -0.292) 24.860 18.361 ( 13.218 3.224 3.698) 14.099 18.759 ( -3.541 1.204 -2.539) 4.521 19.528 ( 11.001 2.973 -0.142) 11.397 19.889 ( -1.668 1.933 2.386) 3.495 20.023 ( 2.996 4.300 -15.684) 16.537 20.489 ( 3.523 -14.655 10.196) 18.197 20.996 ( -15.938 7.125 13.783) 22.244 24.210 ( 12.734 4.422 -34.250) 36.807 24.377 ( 1.428 9.500 -30.676) 32.145 25.155 ( 18.914 3.276 23.736) 30.527 25.290 ( -16.101 -16.806 23.768) 33.265 25.886 ( -10.350 -1.173 15.526) 18.696 26.413 ( -22.569 -9.943 -8.942) 26.233 28.802 ( 7.576 2.283 0.805) 7.954 29.082 ( 19.227 12.240 2.517) 22.930 29.263 ( 3.255 -0.416 -0.396) 3.306 29.674 ( -5.514 -7.626 -0.691) 9.436 30.209 ( 0.137 2.992 1.119) 3.198 30.685 ( 2.911 2.156 -3.088) 4.760 33.141 ( -9.851 1.781 -11.028) 14.894 33.591 ( 0.282 -4.603 11.586) 12.470 35.441 ( -2.138 0.671 -7.025) 7.374 35.855 ( 18.595 2.861 4.991) 19.464 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -13.127 -2.725 9.633) 16.509 1.414 ( -21.431 -4.147 2.073) 21.927 1.576 ( -22.227 -4.142 1.833) 22.684 1.702 ( -0.414 -0.283 -0.013) 0.502 1.940 ( 0.096 -0.096 -0.456) 0.475 2.127 ( -1.987 -0.626 -3.882) 4.405 2.149 ( -1.280 -0.528 -1.783) 2.258 2.184 ( -2.380 0.349 2.732) 3.640 2.218 ( -3.493 -0.850 1.654) 3.957 3.861 ( -6.757 -1.976 9.946) 12.185 4.880 ( -2.939 -0.502 1.659) 3.412 5.017 ( -4.081 -0.735 -0.313) 4.158 5.448 ( -1.015 0.359 -1.330) 1.711 5.570 ( -2.623 -0.807 -1.922) 3.350 6.545 ( 9.679 2.395 -0.291) 9.975 6.611 ( 7.012 0.617 0.366) 7.049 8.738 ( 6.457 1.952 -9.033) 11.273 11.987 ( -1.619 -0.557 3.214) 3.642 14.569 ( 1.136 1.018 -7.653) 7.803 15.553 ( -7.377 -2.027 9.119) 11.903 15.833 ( -9.272 -0.802 0.775) 9.338 16.692 ( -23.815 -4.906 -0.200) 24.316 18.631 ( 13.697 2.346 8.723) 16.407 18.702 ( -2.836 0.493 -1.909) 3.454 19.578 ( 1.478 -0.221 -18.569) 18.629 19.960 ( 0.821 4.013 -18.945) 19.383 20.051 ( 2.466 0.007 21.614) 21.754 20.481 ( 5.146 -8.890 6.063) 11.928 20.865 ( -11.978 1.778 13.138) 17.867 24.226 ( 1.879 9.254 -36.436) 37.640 24.340 ( 2.099 5.697 -38.980) 39.450 24.955 ( -15.370 -11.861 3.187) 19.674 25.659 ( 13.633 -0.623 33.809) 36.460 25.771 ( 1.087 -4.837 24.771) 25.262 26.044 ( -17.287 1.693 10.729) 20.416 28.917 ( 4.840 1.815 -0.738) 5.222 29.235 ( 1.760 -2.342 1.556) 3.317 29.432 ( -7.512 2.236 2.764) 8.311 29.665 ( 21.051 1.105 -2.802) 21.266 30.259 ( 2.636 1.187 1.052) 3.076 30.728 ( 3.693 1.278 -4.658) 6.080 32.896 ( -13.809 -0.855 -7.328) 15.656 33.669 ( 5.406 -0.735 5.832) 7.986 35.348 ( -4.897 -0.516 -4.670) 6.786 36.228 ( 19.641 3.004 2.534) 20.030 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 9.144 11.767) 14.903 1.271 ( 0.000 20.088 8.503) 21.814 1.439 ( 0.000 17.282 10.089) 20.012 1.726 ( 0.000 0.782 3.700) 3.781 1.902 ( -0.000 0.887 -3.344) 3.460 1.962 ( -0.000 5.229 -6.988) 8.728 2.027 ( -0.000 5.250 -3.641) 6.389 2.231 ( 0.000 -0.032 2.238) 2.238 2.247 ( 0.000 0.749 1.910) 2.052 4.274 ( 0.000 1.839 28.611) 28.670 4.892 ( 0.000 3.805 2.221) 4.406 4.952 ( 0.000 6.138 0.990) 6.218 5.403 ( -0.000 -1.291 -1.991) 2.373 5.471 ( -0.000 0.744 -4.189) 4.255 6.643 ( -0.000 -7.901 -0.321) 7.907 6.695 ( 0.000 -5.180 -0.031) 5.180 8.375 ( -0.000 -2.391 -25.692) 25.803 12.113 ( 0.000 -0.173 7.298) 7.300 14.294 ( -0.000 2.090 -12.434) 12.609 15.704 ( 0.000 6.316 2.881) 6.942 15.871 ( 0.000 4.456 14.692) 15.353 16.362 ( -0.000 28.043 -0.928) 28.059 18.586 ( -0.000 1.582 -4.218) 4.504 19.162 ( -0.000 2.953 -16.911) 17.167 19.250 ( 0.000 -15.265 4.977) 16.056 19.371 ( -0.000 -7.774 -4.222) 8.847 20.597 ( 0.000 -11.104 4.680) 12.050 20.808 ( 0.000 7.102 24.606) 25.610 21.042 ( 0.000 8.193 11.407) 14.045 23.352 ( -0.000 14.980 -26.956) 30.839 23.366 ( -0.000 -6.118 -36.374) 36.885 24.286 ( -0.000 25.564 -30.769) 40.003 26.123 ( 0.000 5.723 14.152) 15.266 26.143 ( 0.000 11.888 19.624) 22.944 27.519 ( 0.000 -50.309 54.128) 73.898 28.912 ( -0.000 -3.470 -3.503) 4.931 29.362 ( 0.000 10.788 3.682) 11.399 29.375 ( 0.000 -2.639 4.807) 5.484 29.828 ( -0.000 -18.305 -5.367) 19.076 30.332 ( 0.000 -3.357 1.684) 3.755 30.605 ( -0.000 -9.057 -10.359) 13.760 32.441 ( -0.000 19.738 -12.566) 23.398 33.895 ( 0.000 -1.657 9.055) 9.205 35.149 ( -0.000 1.695 -7.574) 7.762 36.523 ( 0.000 -16.028 2.988) 16.304 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.667 3.924 7.714) 8.814 1.529 ( 5.503 16.194 5.758) 18.047 1.663 ( 3.861 11.782 3.178) 12.799 1.770 ( 1.370 3.850 5.796) 7.091 1.900 ( 0.134 1.465 -1.696) 2.245 1.997 ( 1.468 5.600 -5.466) 7.962 2.079 ( 1.687 5.166 -2.890) 6.155 2.247 ( 0.930 0.338 1.683) 1.952 2.264 ( 0.178 1.328 1.358) 1.907 4.404 ( -1.809 1.676 25.501) 25.620 4.950 ( 0.478 4.984 3.091) 5.884 5.050 ( 3.471 5.892 3.406) 7.639 5.382 ( 0.430 -1.391 -3.096) 3.421 5.461 ( 0.298 1.718 -5.320) 5.598 6.537 ( -2.744 -9.490 -0.306) 9.883 6.618 ( -2.956 -5.840 0.096) 6.546 8.254 ( 1.516 -1.607 -22.995) 23.101 12.136 ( -0.625 -0.330 6.019) 6.061 14.282 ( 2.117 2.523 -9.917) 10.450 15.772 ( -1.022 7.672 2.661) 8.185 16.013 ( 4.815 3.826 12.191) 13.655 16.700 ( 8.722 25.650 0.784) 27.104 18.600 ( 2.269 1.609 -3.610) 4.557 18.985 ( -8.895 -14.235 1.603) 16.862 19.173 ( -1.944 -5.554 0.391) 5.897 19.349 ( 7.024 3.898 -18.866) 20.505 20.521 ( 1.689 -12.478 5.374) 13.691 20.763 ( -18.097 5.940 17.380) 25.785 21.288 ( 5.039 13.221 15.975) 21.340 23.194 ( 7.036 -6.991 -34.257) 35.664 23.491 ( 15.239 5.601 -20.394) 26.067 24.395 ( -1.417 27.827 -29.346) 40.466 26.177 ( -5.019 8.361 15.555) 18.359 26.456 ( 10.337 10.858 13.879) 20.430 27.200 ( -12.213 -42.882 49.668) 66.745 28.848 ( -2.181 -3.769 -3.595) 5.647 29.317 ( -4.489 -0.460 3.258) 5.565 29.463 ( -6.940 -5.175 -7.030) 11.151 29.599 ( 3.250 -9.321 4.009) 10.654 30.295 ( -1.434 -3.023 0.829) 3.447 30.490 ( 0.032 -3.645 -10.414) 11.034 32.609 ( 6.485 13.776 -10.418) 18.449 33.927 ( -1.161 1.589 11.251) 11.422 35.124 ( 0.647 -0.333 -9.948) 9.974 36.326 ( -6.548 -16.215 3.495) 17.833 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.932 1.376 3.176) 3.585 1.760 ( 0.697 2.412 4.117) 4.822 1.776 ( 6.083 10.731 2.872) 12.665 1.849 ( 0.480 0.903 -1.219) 1.591 1.977 ( 4.106 7.662 2.064) 8.935 2.057 ( 1.907 4.546 -3.039) 5.791 2.131 ( 1.012 2.059 -1.048) 2.522 2.283 ( 1.023 1.706 1.063) 2.255 2.303 ( 2.253 2.647 0.558) 3.521 4.461 ( -4.776 0.138 18.564) 19.169 5.016 ( -0.742 4.826 4.611) 6.715 5.179 ( 2.932 2.680 5.391) 6.697 5.377 ( 3.063 0.067 -4.959) 5.829 5.490 ( 3.234 5.799 -5.964) 8.925 6.376 ( -5.349 -10.186 -0.318) 11.509 6.498 ( -4.527 -6.235 0.480) 7.720 8.200 ( 4.230 0.008 -17.127) 17.642 12.139 ( -1.330 -0.576 4.303) 4.540 14.317 ( 3.655 2.757 -7.030) 8.389 15.836 ( -2.322 8.214 3.661) 9.288 16.188 ( 6.057 3.254 7.550) 10.211 17.092 ( 12.127 19.281 0.902) 22.795 18.630 ( -4.477 -9.845 0.095) 10.816 18.709 ( -2.237 -6.194 4.876) 8.194 19.087 ( -5.310 4.067 -8.159) 10.550 19.458 ( 11.019 2.795 -15.277) 19.042 20.466 ( 3.228 -13.945 7.224) 16.034 20.576 ( -17.405 3.956 10.095) 20.505 21.531 ( -4.451 18.897 19.127) 27.253 23.157 ( 17.146 -10.079 -33.151) 38.659 23.735 ( 19.303 1.039 -10.801) 22.144 24.482 ( -3.812 27.300 -29.127) 40.102 26.247 ( -5.613 8.560 16.234) 19.192 26.688 ( -8.047 -16.032 24.615) 30.458 26.901 ( 4.390 -12.716 28.874) 31.854 28.683 ( -9.878 -10.163 -8.335) 16.442 29.082 ( -12.460 -8.044 -7.437) 16.591 29.282 ( -0.194 -5.874 2.137) 6.254 29.740 ( 4.517 4.642 8.135) 10.399 30.251 ( -0.638 -0.278 -1.907) 2.030 30.445 ( 1.383 0.031 -8.744) 8.853 32.796 ( 8.638 8.534 -9.288) 15.288 33.998 ( -1.534 5.493 14.726) 15.792 35.061 ( 0.640 -4.232 -13.339) 14.008 36.069 ( -9.040 -13.360 4.495) 16.746 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.491 0.133 0.765) 0.919 1.795 ( -0.949 0.886 4.086) 4.288 1.844 ( 0.410 0.039 -1.404) 1.463 1.949 ( 4.278 6.005 0.747) 7.411 2.094 ( 1.328 2.813 0.119) 3.113 2.105 ( 0.681 3.644 -0.157) 3.711 2.146 ( 0.978 -0.117 -0.310) 1.033 2.319 ( 0.165 2.779 0.568) 2.841 2.374 ( 2.767 1.834 -0.102) 3.321 4.417 ( -7.752 -1.787 11.341) 13.853 5.044 ( -2.861 2.792 4.887) 6.313 5.196 ( -2.129 -1.276 1.273) 2.790 5.454 ( 5.032 4.163 -4.547) 7.958 5.649 ( 9.681 8.683 -2.544) 13.251 6.176 ( -7.429 -9.412 -0.221) 11.993 6.373 ( -3.273 -6.353 0.972) 7.212 8.238 ( 6.932 1.756 -10.575) 12.766 12.121 ( -1.934 -0.813 2.690) 3.412 14.382 ( 4.161 2.685 -4.522) 6.706 15.878 ( -4.018 7.293 4.569) 9.498 16.304 ( 1.335 2.235 2.425) 3.557 17.452 ( 13.302 12.016 -0.085) 17.925 18.298 ( -13.382 -16.715 3.817) 21.750 18.838 ( 8.489 3.724 5.356) 10.706 19.004 ( -4.969 5.176 -9.901) 12.228 19.610 ( 11.210 4.234 -12.837) 17.561 20.368 ( -14.405 0.958 4.187) 15.031 20.426 ( 2.996 -13.902 8.584) 16.611 21.645 ( -14.499 18.779 18.924) 30.348 23.269 ( 25.600 -9.588 -30.470) 40.935 24.047 ( 21.494 0.404 -0.857) 21.515 24.518 ( -5.640 25.000 -29.663) 39.201 26.231 ( -11.867 -19.588 28.007) 36.179 26.357 ( -16.028 -2.486 24.900) 29.717 27.138 ( 11.529 -3.922 2.624) 12.458 28.300 ( -11.686 -10.335 -11.025) 19.103 28.914 ( -6.086 4.162 -1.195) 7.469 29.240 ( 0.726 -5.907 0.916) 6.022 29.830 ( 0.295 -1.725 5.931) 6.184 30.277 ( 0.856 4.945 -0.277) 5.027 30.450 ( 2.997 2.182 -7.551) 8.411 32.961 ( 8.568 5.502 -8.536) 13.286 34.076 ( -6.481 5.069 16.854) 18.755 34.978 ( 5.365 -5.560 -15.102) 16.964 35.850 ( -7.350 -8.595 4.902) 12.326 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -2.619 -0.496 0.595) 2.732 1.777 ( -2.320 -0.332 1.087) 2.583 1.862 ( 1.082 0.315 0.548) 1.253 2.021 ( -1.224 0.894 -0.055) 1.517 2.097 ( -0.699 2.358 0.089) 2.461 2.128 ( -0.468 0.129 0.456) 0.666 2.170 ( 0.586 0.411 0.043) 0.717 2.332 ( -1.805 1.868 0.310) 2.616 2.403 ( -0.321 -0.108 -0.587) 0.678 4.290 ( -9.504 -3.052 6.884) 12.125 5.027 ( -3.575 1.047 3.598) 5.179 5.144 ( -2.460 -1.168 0.013) 2.724 5.533 ( 0.597 5.317 -3.789) 6.557 5.904 ( 12.139 7.266 -1.353) 14.212 5.965 ( -8.106 -7.391 0.175) 10.971 6.307 ( 1.952 -5.105 1.224) 5.601 8.351 ( 8.436 2.848 -6.341) 10.932 12.088 ( -2.255 -0.935 1.711) 2.981 14.454 ( 3.699 2.343 -3.184) 5.414 15.876 ( -5.974 4.591 5.291) 9.206 16.285 ( -5.488 0.674 -0.809) 5.588 17.688 ( 0.258 2.868 -2.309) 3.691 18.008 ( -1.938 -9.064 4.754) 10.416 18.913 ( -5.932 4.350 -4.500) 8.623 19.088 ( 13.324 2.901 3.736) 14.138 19.778 ( 9.201 7.354 -12.074) 16.868 20.167 ( -11.729 0.722 -0.431) 11.759 20.382 ( 3.151 -15.194 9.878) 18.394 21.581 ( -19.389 10.774 15.192) 26.885 23.523 ( 26.979 -1.965 -25.861) 37.424 24.425 ( 18.269 5.448 -2.226) 19.193 24.512 ( -1.759 16.648 -18.693) 25.093 25.847 ( -16.567 -28.748 31.588) 45.812 26.283 ( -13.418 6.180 13.733) 20.170 27.036 ( -10.019 -13.158 -10.809) 19.757 28.249 ( 12.658 3.235 -0.924) 13.098 28.901 ( -2.616 8.142 0.301) 8.557 29.203 ( 1.507 -5.898 -0.132) 6.089 29.795 ( -2.034 -4.886 2.365) 5.797 30.301 ( -3.602 3.808 0.990) 5.334 30.535 ( 6.089 4.232 -4.680) 8.769 33.106 ( 7.488 5.584 -8.493) 12.625 33.958 ( -16.470 -3.997 13.301) 21.544 35.082 ( 16.615 1.913 -10.957) 19.995 35.710 ( -4.557 -5.615 4.951) 8.764 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -5.711 -0.683 2.612) 6.317 1.738 ( -1.981 -0.744 0.073) 2.117 1.878 ( 0.292 0.031 0.231) 0.374 1.925 ( -9.350 -0.941 0.285) 9.402 2.086 ( -5.175 -0.632 0.249) 5.219 2.130 ( 0.780 1.899 -0.010) 2.053 2.164 ( -0.409 -1.091 -0.164) 1.177 2.299 ( -3.558 0.580 0.372) 3.624 2.360 ( -3.812 -0.615 -0.283) 3.871 4.133 ( -9.309 -3.081 6.763) 11.912 4.985 ( -3.388 -0.469 2.249) 4.094 5.105 ( -1.948 -0.093 0.976) 2.181 5.529 ( -3.423 2.828 -2.761) 5.229 5.770 ( -8.513 -3.008 -1.728) 9.193 6.162 ( 12.939 3.366 -0.186) 13.370 6.358 ( 7.303 -2.104 0.951) 7.659 8.491 ( 8.270 2.899 -5.988) 10.614 12.050 ( -2.148 -0.870 1.786) 2.926 14.511 ( 2.514 1.882 -3.733) 4.879 15.811 ( -7.669 -0.094 5.567) 9.477 16.158 ( -9.517 0.697 -0.132) 9.543 17.439 ( -19.839 -4.063 -0.438) 20.256 18.165 ( 14.693 0.018 3.836) 15.186 18.832 ( -5.035 2.332 -4.425) 7.097 19.340 ( 12.493 -0.151 0.373) 12.499 19.908 ( 2.177 8.955 -12.894) 15.849 20.042 ( -3.240 3.141 1.846) 4.876 20.336 ( 3.431 -14.471 9.580) 17.690 21.378 ( -18.716 0.613 11.703) 22.082 23.840 ( 21.071 7.968 -24.516) 33.294 24.419 ( -6.939 17.650 -32.422) 37.561 24.913 ( 24.637 -0.629 24.378) 34.665 25.468 ( -15.368 -22.246 20.814) 34.121 26.101 ( -13.878 -5.930 3.453) 15.482 26.682 ( -18.280 -0.365 0.847) 18.304 28.579 ( 20.227 1.337 -0.608) 20.280 28.996 ( 5.233 9.156 0.286) 10.550 29.182 ( 2.549 -5.090 -0.186) 5.695 29.707 ( -4.551 -4.033 1.371) 6.233 30.267 ( -3.492 1.740 0.738) 3.970 30.637 ( 3.937 2.686 -3.766) 6.074 33.211 ( 1.358 7.706 -12.080) 14.393 33.683 ( -13.080 -9.135 14.291) 21.419 35.356 ( 13.210 5.928 -12.302) 19.000 35.664 ( 4.569 -4.798 8.789) 11.007 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.823 -0.120 7.198) 11.387 1.699 ( -5.465 -0.668 0.402) 5.521 1.720 ( -11.580 -0.324 0.559) 11.598 1.843 ( -8.135 0.268 0.944) 8.194 1.962 ( -5.867 -0.288 -0.222) 5.878 2.134 ( -1.331 -0.716 -2.212) 2.679 2.151 ( 0.087 0.131 -0.364) 0.396 2.245 ( -3.370 0.231 1.390) 3.652 2.286 ( -4.564 0.358 0.449) 4.600 4.009 ( -7.354 -2.010 10.517) 12.989 4.931 ( -3.173 -1.504 1.618) 3.866 5.079 ( -2.839 0.916 1.698) 3.433 5.478 ( -2.983 1.041 -2.061) 3.772 5.623 ( -6.090 -0.184 -2.926) 6.759 6.381 ( 11.760 0.395 -0.147) 11.767 6.484 ( 8.369 -0.585 0.419) 8.400 8.604 ( 6.646 1.998 -9.270) 11.580 12.023 ( -1.584 -0.613 3.027) 3.470 14.532 ( 0.831 1.449 -6.479) 6.691 15.684 ( -7.710 -4.343 5.808) 10.585 16.016 ( -10.313 2.613 3.383) 11.164 17.065 ( -23.424 0.491 0.777) 23.442 18.434 ( 15.710 -0.783 7.179) 17.290 18.755 ( -4.146 1.067 -3.346) 5.434 19.427 ( 4.602 -4.228 -14.207) 15.520 19.942 ( 0.316 10.056 -14.848) 17.935 20.104 ( 0.686 -0.705 14.630) 14.663 20.342 ( 6.500 -5.901 5.978) 10.621 21.117 ( -14.873 -7.131 10.780) 19.704 24.087 ( 9.658 14.802 -29.883) 34.719 24.309 ( -6.192 13.036 -31.304) 34.471 25.087 ( -15.520 -15.601 -0.369) 22.009 25.476 ( 26.964 -1.046 41.064) 49.137 25.828 ( -8.682 -11.474 6.571) 15.818 26.462 ( -19.339 9.057 14.217) 25.654 28.812 ( 8.866 -1.194 -2.132) 9.196 29.194 ( 3.884 -3.360 0.516) 5.161 29.272 ( 20.349 0.996 -2.083) 20.480 29.594 ( -7.619 1.457 2.544) 8.163 30.244 ( -0.191 -0.573 0.703) 0.927 30.675 ( 1.676 0.833 -5.462) 5.773 33.104 ( -13.584 4.488 -11.297) 18.228 33.607 ( 3.114 -4.553 12.368) 13.543 35.393 ( -2.912 1.953 -9.119) 9.770 35.915 ( 20.493 -1.431 5.494) 21.265 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 2.509 4.727) 5.352 1.656 ( 0.000 14.386 4.305) 15.016 1.736 ( 0.000 5.832 2.453) 6.327 1.822 ( 0.000 4.507 2.305) 5.062 1.922 ( 0.000 5.124 1.187) 5.260 2.015 ( -0.000 5.494 -4.425) 7.055 2.108 ( -0.000 5.548 -2.245) 5.985 2.248 ( 0.000 0.169 1.335) 1.346 2.284 ( 0.000 2.053 1.073) 2.317 4.544 ( 0.000 0.981 22.073) 22.095 5.006 ( 0.000 5.505 3.413) 6.477 5.101 ( 0.000 6.153 5.275) 8.104 5.347 ( -0.000 -2.102 -3.433) 4.026 5.454 ( -0.000 3.229 -6.313) 7.091 6.461 ( -0.000 -11.012 -0.161) 11.013 6.587 ( 0.000 -5.978 0.029) 5.978 8.128 ( -0.000 -0.752 -20.116) 20.130 12.162 ( 0.000 -0.545 4.833) 4.864 14.249 ( -0.000 2.763 -7.642) 8.126 15.849 ( -0.000 7.483 -0.587) 7.506 16.062 ( 0.000 2.314 12.288) 12.504 16.899 ( 0.000 27.670 1.756) 27.725 18.576 ( -0.000 0.873 -2.984) 3.109 18.935 ( 0.000 -23.196 9.129) 24.928 19.119 ( -0.000 7.057 -13.197) 14.965 19.273 ( -0.000 2.379 -9.872) 10.155 20.405 ( 0.000 -13.305 4.501) 14.046 21.157 ( 0.000 7.161 20.594) 21.803 21.306 ( 0.000 9.303 8.143) 12.364 22.964 ( -0.000 -5.080 -26.606) 27.087 23.310 ( -0.000 4.236 -18.065) 18.555 24.565 ( -0.000 31.368 -27.564) 41.758 26.324 ( 0.000 4.749 7.698) 9.045 26.581 ( 0.000 15.530 17.622) 23.488 27.104 ( 0.000 -41.538 43.259) 59.973 28.814 ( -0.000 -3.597 -2.680) 4.486 29.291 ( -0.000 -27.972 -11.858) 30.382 29.358 ( 0.000 -3.051 3.347) 4.529 29.635 ( 0.000 12.483 6.755) 14.193 30.279 ( 0.000 -3.430 1.184) 3.629 30.399 ( -0.000 -3.743 -10.996) 11.616 32.636 ( -0.000 11.237 -8.064) 13.830 34.023 ( 0.000 6.011 11.595) 13.061 35.057 ( -0.000 -3.400 -10.969) 11.484 36.241 ( 0.000 -15.837 3.275) 16.172 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.376 1.042 2.136) 2.406 1.788 ( 0.527 2.081 3.059) 3.737 1.816 ( 2.830 10.478 2.212) 11.077 1.847 ( 0.012 0.751 -1.245) 1.454 2.014 ( 1.697 7.735 1.913) 8.147 2.056 ( 1.367 3.867 -2.530) 4.819 2.143 ( -0.092 2.888 -1.035) 3.070 2.271 ( 1.728 1.018 0.771) 2.148 2.316 ( 0.509 3.198 0.743) 3.322 4.604 ( -3.261 -0.811 14.703) 15.083 5.089 ( 0.759 5.667 4.635) 7.361 5.189 ( 1.832 2.783 5.829) 6.714 5.312 ( 0.741 -2.188 -4.804) 5.331 5.485 ( 1.839 7.801 -5.905) 9.955 6.332 ( -2.416 -11.692 -0.035) 11.939 6.507 ( -2.972 -5.595 0.089) 6.336 8.073 ( 2.787 1.003 -13.807) 14.121 12.168 ( -0.785 -0.800 3.191) 3.382 14.266 ( 2.303 2.868 -4.909) 6.134 15.926 ( 1.144 7.287 -1.129) 7.462 16.157 ( 3.849 0.765 9.064) 9.877 17.183 ( 3.089 23.585 1.529) 23.835 18.589 ( 0.808 -2.262 -1.123) 2.652 18.693 ( -5.061 -17.086 4.803) 18.456 19.153 ( -0.882 5.611 -7.285) 9.238 19.293 ( 5.362 4.487 -9.607) 11.881 20.318 ( 2.161 -13.452 4.909) 14.481 20.977 ( -21.800 3.971 7.490) 23.390 21.704 ( 16.000 13.863 15.861) 26.453 22.784 ( -1.048 -7.448 -22.935) 24.137 23.414 ( 15.040 1.983 -9.559) 17.931 24.708 ( -4.336 31.882 -27.387) 42.253 26.397 ( -0.010 1.774 8.208) 8.398 26.803 ( 4.604 -2.088 20.169) 20.793 26.855 ( -10.185 -20.773 30.193) 38.038 28.704 ( -8.300 -9.459 -7.378) 14.587 28.980 ( 1.700 -18.963 -8.808) 20.978 29.309 ( -3.793 -2.293 2.253) 4.972 29.802 ( 1.391 10.050 8.778) 13.416 30.231 ( -0.873 -2.038 -3.980) 4.556 30.361 ( 3.718 -2.100 -6.754) 7.990 32.731 ( 4.289 7.403 -5.783) 10.327 34.152 ( -0.350 10.555 12.940) 16.702 34.946 ( -0.727 -8.194 -12.763) 15.184 36.077 ( -4.799 -12.527 3.146) 13.779 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.033 0.182 0.646) 0.672 1.825 ( 0.927 0.746 1.874) 2.220 1.837 ( -1.002 -0.067 -0.575) 1.157 1.951 ( 2.951 6.292 0.658) 6.981 2.098 ( 1.410 2.003 -0.353) 2.475 2.112 ( 2.198 3.685 0.081) 4.292 2.147 ( -0.909 0.885 -0.385) 1.326 2.325 ( 2.613 1.800 0.427) 3.202 2.360 ( 0.865 2.440 0.313) 2.607 4.556 ( -6.266 -2.889 7.171) 9.952 5.134 ( -2.475 1.634 4.163) 5.111 5.223 ( -1.768 -1.060 1.360) 2.469 5.352 ( 8.004 2.653 -3.819) 9.257 5.618 ( 4.977 11.186 -1.958) 12.399 6.169 ( -4.178 -11.199 0.053) 11.954 6.392 ( -4.863 -4.923 0.245) 6.924 8.114 ( 5.556 2.866 -6.845) 9.271 12.151 ( -1.474 -1.029 1.619) 2.419 14.327 ( 3.670 2.773 -2.455) 5.215 15.994 ( -0.661 5.745 0.199) 5.786 16.273 ( 5.444 -0.006 3.968) 6.737 17.436 ( 4.566 16.034 0.349) 16.675 18.346 ( -10.393 -16.655 1.731) 19.708 18.731 ( 8.132 0.739 2.277) 8.477 19.116 ( -5.511 5.140 -4.544) 8.800 19.442 ( 9.977 7.068 -8.047) 14.637 20.263 ( 3.339 -13.251 5.957) 14.907 20.682 ( -19.207 1.363 1.073) 19.285 22.117 ( -3.500 21.879 24.450) 32.996 22.641 ( 16.586 -14.897 -28.134) 35.896 23.703 ( 20.408 1.016 0.805) 20.449 24.768 ( -8.507 30.276 -28.719) 42.588 26.295 ( -9.499 -27.701 25.961) 39.135 26.690 ( -6.908 3.014 16.637) 18.264 26.944 ( 4.498 -3.617 2.455) 6.272 28.343 ( -11.817 -10.765 -11.493) 19.688 28.936 ( 4.207 -2.888 -2.142) 5.534 29.226 ( -4.330 -2.720 1.497) 5.328 29.878 ( -3.274 0.433 6.372) 7.177 30.259 ( 5.295 5.526 -3.569) 8.445 30.387 ( 3.262 -0.766 -3.627) 4.938 32.856 ( 6.589 4.854 -3.743) 9.000 34.314 ( -3.120 12.456 15.640) 20.236 34.773 ( 0.958 -11.903 -15.449) 19.526 35.899 ( -6.197 -7.916 2.465) 10.351 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.895 -0.170 0.354) 0.977 1.806 ( -1.524 -0.855 -1.316) 2.187 1.853 ( 0.684 0.344 1.718) 1.881 2.031 ( 1.411 2.312 0.063) 2.709 2.125 ( 0.778 0.289 0.114) 0.838 2.130 ( -0.979 0.113 -0.119) 0.993 2.165 ( 0.809 1.437 0.028) 1.649 2.372 ( -0.432 1.873 0.588) 2.010 2.388 ( 1.746 -0.033 -0.487) 1.813 4.425 ( -7.920 -4.237 2.670) 9.371 5.096 ( -3.209 -1.284 1.007) 3.600 5.179 ( -2.427 -0.631 0.804) 2.633 5.515 ( 7.086 5.256 -2.226) 9.099 5.811 ( 6.706 8.809 0.476) 11.081 5.999 ( -4.565 -8.425 -0.484) 9.594 6.275 ( -3.651 -4.153 0.425) 5.546 8.232 ( 7.059 3.976 -2.524) 8.486 12.118 ( -1.854 -1.146 0.636) 2.270 14.406 ( 3.713 2.448 -1.039) 4.567 16.002 ( -3.369 1.754 1.258) 4.001 16.338 ( 0.572 0.163 0.407) 0.720 17.652 ( 7.596 9.386 -0.537) 12.087 18.036 ( -10.820 -12.628 1.288) 16.679 18.897 ( 9.008 -0.523 -1.843) 9.209 19.063 ( -4.297 5.620 2.704) 7.574 19.656 ( 10.421 9.367 -6.624) 15.499 20.222 ( 2.495 -12.041 6.015) 13.689 20.401 ( -14.901 -0.611 -1.957) 15.042 22.045 ( -21.134 0.752 9.746) 23.285 22.959 ( 31.384 6.234 -12.025) 34.182 24.094 ( 23.434 0.210 10.242) 25.575 24.745 ( -11.082 27.233 -30.052) 42.042 25.932 ( -12.750 -32.046 28.093) 44.483 26.610 ( -16.415 0.355 3.450) 16.777 26.947 ( 5.255 -5.271 -5.479) 9.242 28.155 ( -0.344 0.988 -2.963) 3.143 28.991 ( 1.849 4.519 -0.544) 4.913 29.136 ( -2.417 -5.355 0.544) 5.900 29.814 ( -3.521 -3.089 1.597) 4.949 30.371 ( -0.540 2.411 1.030) 2.677 30.447 ( 7.006 3.710 -2.943) 8.456 33.003 ( 7.619 4.750 -2.286) 9.265 34.253 ( -16.574 -4.096 7.413) 18.612 34.794 ( 14.445 2.960 -6.957) 16.304 35.756 ( -5.226 -4.713 1.416) 7.178 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -2.290 -0.074 1.323) 2.646 1.760 ( -1.999 -1.312 -0.934) 2.567 1.870 ( 0.615 -0.076 0.505) 0.799 2.027 ( -3.428 0.057 0.059) 3.429 2.123 ( -0.472 0.250 -0.074) 0.539 2.130 ( 0.215 -0.505 0.257) 0.606 2.170 ( -0.778 -0.106 -0.177) 0.805 2.353 ( -2.357 -0.402 0.240) 2.403 2.400 ( -0.932 0.624 -0.120) 1.128 4.264 ( -7.702 -4.265 2.740) 9.220 5.029 ( -2.901 -2.426 0.238) 3.789 5.147 ( -1.954 0.185 1.717) 2.608 5.601 ( -1.618 3.328 -1.810) 4.120 5.860 ( -5.190 -1.987 -0.965) 5.641 5.999 ( 8.825 2.361 -0.038) 9.136 6.243 ( 3.794 -1.414 0.681) 4.105 8.377 ( 6.863 3.970 -2.344) 8.268 12.080 ( -1.777 -1.087 0.656) 2.184 14.476 ( 2.630 2.010 -1.326) 3.566 15.922 ( -5.946 -3.729 1.502) 7.177 16.301 ( -5.352 0.903 0.842) 5.492 17.709 ( -14.873 2.670 -1.761) 15.213 17.926 ( 13.598 -4.040 2.824) 14.464 18.899 ( -2.940 0.274 -6.003) 6.690 19.177 ( 7.498 0.867 5.549) 9.369 19.880 ( 7.874 11.415 -6.985) 15.527 20.139 ( -5.187 -2.139 -1.369) 5.775 20.224 ( -1.498 -8.475 6.342) 10.691 21.689 ( -19.047 -10.890 4.978) 22.498 23.500 ( 24.599 17.839 -8.773) 31.628 24.532 ( 15.444 5.051 4.021) 16.740 24.681 ( -1.762 16.350 -13.352) 21.182 25.560 ( -12.634 -25.724 18.735) 34.239 26.241 ( -15.532 -13.728 -7.527) 22.054 26.966 ( -6.810 9.725 4.827) 12.816 28.277 ( 13.533 0.249 -1.346) 13.602 29.024 ( -2.660 -0.880 -0.571) 2.860 29.104 ( 3.948 0.808 0.537) 4.066 29.746 ( -2.532 -1.469 0.838) 3.045 30.340 ( -3.619 -0.636 0.412) 3.698 30.576 ( 4.805 2.825 -1.817) 5.862 33.166 ( 6.720 6.606 -3.383) 10.012 33.914 ( -17.462 -9.812 5.271) 20.712 35.099 ( 17.150 7.826 -4.509) 19.383 35.653 ( -3.084 -3.866 2.155) 5.395 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.198 0.504 3.787) 5.676 1.714 ( -1.543 -1.440 -0.253) 2.126 1.876 ( 0.253 -0.184 -0.300) 0.433 1.929 ( -9.145 0.904 0.544) 9.206 2.084 ( -5.055 0.247 0.164) 5.063 2.124 ( 0.143 -2.352 -0.526) 2.415 2.157 ( -0.493 1.071 -0.486) 1.275 2.303 ( -3.083 -0.699 0.531) 3.205 2.370 ( -3.740 1.414 0.359) 4.014 4.137 ( -5.845 -3.131 6.791) 9.492 4.962 ( -2.492 -2.768 0.940) 3.841 5.133 ( -1.460 0.619 2.490) 2.952 5.543 ( -4.633 0.384 -1.718) 4.956 5.743 ( -8.643 3.065 -3.194) 9.710 6.173 ( 12.307 -2.480 0.376) 12.560 6.350 ( 7.583 0.805 0.453) 7.640 8.493 ( 5.219 2.990 -5.879) 8.410 12.050 ( -1.219 -0.847 1.794) 2.328 14.511 ( 0.778 1.645 -3.618) 4.050 15.769 ( -6.837 -6.915 2.385) 10.012 16.212 ( -7.850 1.893 3.466) 8.788 17.449 ( -19.595 5.130 0.234) 20.257 18.171 ( 17.026 -3.183 3.991) 17.775 18.820 ( -4.298 0.714 -3.420) 5.539 19.258 ( 3.998 -5.169 -5.970) 8.851 19.986 ( -0.974 10.457 -12.570) 16.380 20.144 ( -0.492 -1.150 7.091) 7.200 20.217 ( 8.061 -1.709 7.801) 11.347 21.299 ( -15.540 -15.756 6.144) 22.967 23.957 ( 13.963 20.855 -14.772) 29.122 24.469 ( -12.078 17.876 -31.037) 37.799 25.102 ( 10.495 -10.491 16.237) 21.997 25.233 ( 4.520 -9.687 18.229) 21.132 25.883 ( -9.475 -13.329 2.898) 16.608 26.931 ( -15.802 14.010 11.619) 24.104 28.529 ( 19.571 -3.910 -4.755) 20.516 28.962 ( 3.034 -9.487 -1.889) 10.138 29.206 ( 3.484 4.879 1.290) 6.132 29.716 ( -2.909 2.981 2.154) 4.689 30.263 ( -3.475 -2.673 0.483) 4.411 30.631 ( 1.828 0.644 -4.157) 4.587 33.260 ( -3.165 8.385 -12.100) 15.058 33.637 ( -7.248 -8.949 14.482) 18.503 35.360 ( 6.691 6.415 -12.596) 15.639 35.658 ( 9.089 -4.306 8.941) 13.457 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 0.404 0.960) 1.042 1.807 ( 0.000 0.736 1.174) 1.386 1.851 ( -0.000 0.602 -0.186) 0.630 1.893 ( 0.000 8.477 1.127) 8.552 2.062 ( -0.000 1.580 -1.400) 2.111 2.075 ( 0.000 6.169 1.029) 6.254 2.165 ( -0.000 1.766 -0.787) 1.934 2.266 ( 0.000 0.941 0.432) 1.035 2.346 ( 0.000 3.053 0.701) 3.132 4.666 ( 0.000 -2.814 7.222) 7.751 5.147 ( 0.000 5.433 2.359) 5.923 5.212 ( 0.000 -0.398 3.392) 3.415 5.267 ( -0.000 -2.628 -2.686) 3.758 5.536 ( -0.000 10.875 -2.856) 11.244 6.242 ( 0.000 -11.514 0.134) 11.515 6.485 ( -0.000 -4.307 -0.168) 4.311 8.019 ( -0.000 2.884 -7.067) 7.632 12.176 ( 0.000 -1.069 1.590) 1.916 14.257 ( -0.000 2.816 -2.198) 3.572 15.955 ( -0.000 5.725 -4.423) 7.235 16.164 ( 0.000 -1.504 7.931) 8.073 17.395 ( 0.000 21.961 1.704) 22.027 18.566 ( 0.000 -20.730 2.420) 20.871 18.575 ( 0.000 0.436 0.615) 0.754 19.182 ( -0.000 10.068 -9.383) 13.763 19.274 ( -0.000 2.933 -0.966) 3.088 20.198 ( 0.000 -11.828 3.391) 12.305 21.374 ( 0.000 1.926 2.883) 3.467 21.491 ( 0.000 4.806 0.620) 4.845 22.771 ( -0.000 0.162 -0.504) 0.529 23.256 ( -0.000 3.111 -5.542) 6.355 24.937 ( -0.000 33.555 -27.075) 43.116 26.428 ( 0.000 1.955 0.671) 2.067 26.641 ( 0.000 -39.716 35.488) 53.261 27.065 ( 0.000 13.432 10.365) 16.966 28.657 ( -0.000 -22.911 -14.155) 26.931 28.740 ( -0.000 -1.904 -1.552) 2.456 29.327 ( 0.000 -2.469 1.667) 2.979 29.942 ( 0.000 11.316 9.220) 14.597 30.229 ( 0.000 -2.320 -0.015) 2.320 30.234 ( -0.000 -3.500 -10.095) 10.685 32.740 ( -0.000 5.510 -2.269) 5.959 34.324 ( 0.000 13.925 10.677) 17.547 34.806 ( -0.000 -11.828 -11.260) 16.331 36.022 ( 0.000 -9.444 1.722) 9.600 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.125 -0.243 -0.038) 0.275 1.811 ( 0.394 -0.608 -1.139) 1.350 1.856 ( -0.320 0.585 1.385) 1.537 1.974 ( 1.282 5.105 0.363) 5.276 2.073 ( 1.437 -0.608 -0.546) 1.653 2.127 ( 0.496 2.879 0.219) 2.930 2.167 ( -0.553 0.782 -0.430) 1.049 2.295 ( 2.189 0.757 0.127) 2.320 2.374 ( 0.299 1.555 0.561) 1.680 4.615 ( -3.313 -4.972 -0.460) 5.993 5.172 ( -0.883 -1.430 -1.971) 2.590 5.222 ( 1.452 -2.405 -4.235) 5.082 5.272 ( 2.618 3.776 5.591) 7.237 5.660 ( 2.679 10.571 1.264) 10.978 6.123 ( -2.454 -9.170 -0.078) 9.493 6.425 ( -3.170 -2.548 -0.353) 4.083 8.064 ( 2.837 4.763 0.024) 5.543 12.162 ( -0.753 -1.305 0.021) 1.507 14.298 ( 2.217 2.640 0.344) 3.465 16.005 ( 2.668 3.925 -5.700) 7.417 16.196 ( 3.431 -3.459 5.139) 7.081 17.567 ( -0.832 13.509 0.947) 13.568 18.339 ( -6.271 -14.258 -0.559) 15.586 18.631 ( 5.164 -0.012 2.838) 5.892 19.222 ( -2.868 6.358 -3.100) 7.632 19.355 ( 5.948 6.675 -0.657) 8.965 20.129 ( 2.093 -9.514 2.816) 10.140 21.020 ( -22.511 -0.939 -4.930) 23.064 21.911 ( 30.169 -0.892 -10.119) 31.833 22.677 ( -15.156 5.653 15.223) 22.212 23.437 ( 15.437 3.414 4.701) 16.495 25.070 ( -6.768 32.706 -28.548) 43.937 26.281 ( -8.802 -29.928 23.062) 38.794 26.585 ( 11.141 -9.682 5.371) 15.707 27.101 ( -10.303 2.741 2.260) 10.898 28.372 ( -7.198 -5.599 -9.691) 13.307 28.790 ( 7.009 -1.815 -1.123) 7.327 29.284 ( -3.355 -1.668 0.812) 3.834 29.984 ( -6.418 -1.319 3.056) 7.230 30.218 ( 4.538 6.999 -1.033) 8.405 30.284 ( 5.896 -1.975 -1.273) 6.347 32.809 ( 3.414 4.002 0.832) 5.325 34.501 ( 3.553 7.823 -0.854) 8.634 34.625 ( -5.323 -6.912 0.068) 8.724 35.923 ( -3.685 -5.618 0.047) 6.719 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.118 -0.699 -0.655) 0.966 1.797 ( -0.079 -1.517 -2.031) 2.536 1.863 ( -0.260 0.391 1.555) 1.624 2.020 ( 1.463 -0.349 0.030) 1.504 2.100 ( 1.992 0.332 -0.078) 2.021 2.139 ( -0.083 -0.277 -0.276) 0.400 2.170 ( -0.062 0.462 0.080) 0.473 2.342 ( 2.976 -0.414 -0.305) 3.020 2.387 ( 0.190 -0.171 0.472) 0.537 4.478 ( -4.970 -6.258 -4.827) 9.336 5.114 ( -1.922 -2.937 -2.482) 4.300 5.194 ( -0.205 -1.568 -2.349) 2.832 5.418 ( 7.608 3.101 3.298) 8.853 5.806 ( 4.567 3.222 3.675) 6.689 6.004 ( -4.458 -1.330 -1.251) 4.817 6.336 ( -5.510 -0.400 -0.657) 5.563 8.186 ( 4.398 5.773 4.094) 8.333 12.130 ( -1.211 -1.432 -0.999) 2.125 14.374 ( 3.181 2.319 1.958) 4.397 16.026 ( 0.010 -0.810 -4.153) 4.231 16.262 ( 6.305 -3.177 0.765) 7.102 17.636 ( 1.751 0.264 1.202) 2.140 18.122 ( -9.225 -2.481 -2.617) 9.905 18.752 ( 7.610 -0.875 3.027) 8.236 19.201 ( -4.903 5.071 1.474) 7.206 19.557 ( 9.628 7.576 0.966) 12.290 20.109 ( 2.813 -6.110 2.398) 7.141 20.640 ( -18.334 -2.641 -7.268) 19.898 22.092 ( 6.693 -18.551 -21.121) 28.897 22.789 ( 5.818 23.356 27.176) 36.303 23.798 ( 19.932 2.126 13.503) 24.169 25.077 ( -12.150 30.430 -30.822) 44.984 25.926 ( -9.964 -33.646 24.950) 43.056 26.674 ( 2.567 -13.595 -12.819) 18.861 26.877 ( -5.299 -0.124 0.302) 5.309 28.256 ( -7.156 8.792 -1.008) 11.381 28.911 ( 7.873 1.218 -0.278) 7.972 29.197 ( -5.786 -1.138 0.187) 5.900 29.854 ( -4.905 -4.018 -1.366) 6.486 30.334 ( 4.762 -2.147 -1.410) 5.410 30.401 ( 4.802 7.204 4.089) 9.574 32.934 ( 6.135 3.883 3.464) 8.045 34.327 ( -4.566 -17.394 -12.698) 22.014 34.758 ( 1.486 17.173 11.817) 20.899 35.805 ( -5.250 -2.728 -1.809) 6.186 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.031 -0.828 -0.712) 1.092 1.763 ( -0.899 -2.058 -1.559) 2.734 1.868 ( -0.095 0.144 0.808) 0.826 2.028 ( 1.687 -2.730 -0.095) 3.210 2.123 ( 0.471 -0.250 -0.028) 0.534 2.132 ( -0.816 -0.113 -0.049) 0.825 2.168 ( 0.493 -1.090 0.209) 1.215 2.358 ( 0.367 -2.177 -0.422) 2.248 2.398 ( 1.414 -0.195 0.239) 1.447 4.314 ( -4.687 -6.167 -4.389) 8.903 5.040 ( -2.205 -3.268 -1.547) 4.235 5.169 ( -0.507 -0.776 -1.206) 1.521 5.573 ( 6.336 -0.184 2.084) 6.673 5.839 ( 2.648 -6.878 2.055) 7.651 6.001 ( -2.475 8.929 -0.278) 9.270 6.254 ( -3.999 2.809 -0.924) 4.973 8.333 ( 4.241 5.639 3.875) 8.050 12.092 ( -1.196 -1.389 -1.051) 2.113 14.452 ( 2.626 1.919 1.967) 3.801 15.949 ( -3.369 -6.278 -2.216) 7.461 16.315 ( 2.936 -2.633 -1.139) 4.105 17.683 ( 9.553 -9.696 1.755) 13.724 17.970 ( -11.823 9.361 -3.283) 15.433 18.851 ( 4.443 -2.512 0.681) 5.150 19.191 ( -2.581 3.249 3.918) 5.707 19.803 ( 10.586 6.656 4.145) 13.173 20.121 ( 1.585 -0.605 0.279) 1.719 20.320 ( -12.748 -3.299 -6.909) 14.870 21.778 ( -9.929 -21.016 -7.877) 24.542 23.353 ( 18.735 25.946 12.763) 34.454 24.240 ( 23.224 -0.314 21.967) 31.969 24.976 ( -15.269 26.178 -31.524) 43.729 25.570 ( -9.771 -27.717 16.791) 33.847 26.280 ( -13.384 -17.812 -13.702) 26.157 27.019 ( 10.626 4.514 -2.136) 11.741 28.249 ( -5.390 9.138 2.776) 10.966 29.014 ( 0.601 -3.559 0.904) 3.721 29.113 ( -1.299 4.524 -0.868) 4.786 29.763 ( -1.520 -2.036 -1.580) 2.992 30.347 ( 0.613 -3.387 -0.703) 3.513 30.541 ( 3.230 4.056 3.169) 6.077 33.109 ( 7.364 5.141 4.687) 10.131 34.010 ( -8.490 -15.655 -8.492) 19.730 35.016 ( 5.808 14.912 7.497) 17.672 35.690 ( -4.873 -1.604 -2.966) 5.926 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -0.302 -0.523 -0.000) 0.604 1.720 ( -1.208 -2.093 -0.000) 2.416 1.870 ( 0.001 0.002 -0.000) 0.002 2.022 ( -0.657 -1.139 -0.000) 1.315 2.096 ( -1.381 -2.392 0.000) 2.762 2.120 ( -0.323 -0.559 -0.000) 0.645 2.170 ( 0.010 0.018 -0.000) 0.021 2.327 ( -1.179 -2.042 -0.000) 2.358 2.412 ( 0.065 0.113 -0.000) 0.130 4.187 ( -2.856 -4.947 -0.000) 5.712 4.971 ( -1.907 -3.304 -0.000) 3.815 5.154 ( -0.238 -0.412 -0.000) 0.476 5.587 ( -1.781 -3.085 0.000) 3.562 5.897 ( 2.056 3.561 -0.000) 4.112 5.985 ( -0.653 -1.131 -0.000) 1.306 6.287 ( 2.689 4.657 -0.000) 5.378 8.449 ( 2.632 4.559 -0.000) 5.264 12.061 ( -0.674 -1.168 -0.000) 1.349 14.504 ( 0.930 1.611 -0.000) 1.861 15.798 ( -4.986 -8.635 -0.000) 9.971 16.299 ( -1.290 -2.234 0.000) 2.579 17.730 ( -1.492 -2.583 0.000) 2.983 17.928 ( 2.875 4.980 -0.000) 5.750 18.857 ( -0.823 -1.426 0.000) 1.646 19.179 ( -1.576 -2.730 -0.000) 3.152 20.029 ( 3.038 5.261 0.000) 6.075 20.145 ( 2.540 4.400 -0.000) 5.081 20.159 ( -0.157 -0.272 0.000) 0.315 21.368 ( -12.368 -21.422 -0.000) 24.736 23.905 ( 14.098 24.419 0.000) 28.196 24.675 ( 4.114 7.126 -0.000) 8.228 24.871 ( 5.660 9.803 0.000) 11.320 25.229 ( -9.960 -17.251 -0.000) 19.920 25.905 ( -8.426 -14.594 -0.000) 16.852 27.206 ( 4.563 7.904 -0.000) 9.126 28.274 ( 1.429 2.474 -0.000) 2.857 28.897 ( -4.351 -7.536 -0.000) 8.702 29.204 ( 2.945 5.101 -0.000) 5.890 29.758 ( 1.225 2.122 -0.000) 2.450 30.287 ( -2.777 -4.810 -0.000) 5.554 30.605 ( 0.765 1.325 -0.000) 1.530 33.286 ( 4.174 7.229 -0.000) 8.347 33.714 ( -7.334 -12.703 -0.000) 14.668 35.273 ( 6.782 11.747 -0.000) 13.564 35.601 ( -1.572 -2.723 0.000) 3.145 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.000 -1.070 -1.123) 1.551 1.793 ( -0.000 -1.304 -1.625) 2.084 1.869 ( 0.000 0.394 1.131) 1.198 1.993 ( 0.000 -0.843 0.044) 0.845 2.053 ( -0.000 0.899 -0.269) 0.938 2.136 ( -0.000 -0.742 -0.420) 0.853 2.177 ( -0.000 0.718 -0.081) 0.723 2.279 ( 0.000 -0.201 0.015) 0.202 2.380 ( 0.000 -0.504 0.477) 0.694 4.564 ( -0.000 -7.125 -8.217) 10.876 5.124 ( -0.000 -2.857 -6.774) 7.352 5.177 ( -0.000 -2.396 -2.227) 3.272 5.316 ( 0.000 2.990 6.290) 6.965 5.723 ( 0.000 3.421 5.084) 6.128 6.089 ( -0.000 -0.950 -1.179) 1.515 6.438 ( -0.000 -0.048 -0.644) 0.646 8.112 ( 0.000 6.536 6.869) 9.482 12.151 ( -0.000 -1.557 -1.583) 2.220 14.312 ( 0.000 2.413 3.099) 3.928 15.970 ( -0.000 1.920 -8.897) 9.102 16.147 ( 0.000 -5.783 4.034) 7.051 17.648 ( 0.000 -1.370 0.531) 1.469 18.292 ( -0.000 -2.731 -3.656) 4.563 18.608 ( 0.000 0.586 4.413) 4.452 19.303 ( -0.000 8.119 -3.405) 8.804 19.368 ( 0.000 3.294 9.017) 9.599 20.050 ( -0.000 -4.548 -0.457) 4.571 21.258 ( -0.000 -5.975 -15.888) 16.974 21.468 ( -0.000 -2.717 -9.877) 10.244 22.982 ( 0.000 7.038 27.644) 28.526 23.368 ( 0.000 6.539 10.499) 12.369 25.307 ( -0.000 32.470 -30.075) 44.259 26.167 ( 0.000 -39.508 26.975) 47.838 26.401 ( -0.000 -2.090 -6.591) 6.914 27.146 ( -0.000 -11.638 -7.034) 13.598 28.416 ( -0.000 11.247 -4.249) 12.023 28.722 ( -0.000 1.065 -0.406) 1.140 29.300 ( 0.000 -1.210 0.127) 1.216 30.010 ( -0.000 -7.921 -3.295) 8.579 30.197 ( -0.000 -0.321 -1.363) 1.400 30.279 ( 0.000 9.937 7.429) 12.407 32.826 ( 0.000 2.818 4.550) 5.352 34.350 ( -0.000 -13.852 -15.640) 20.893 34.795 ( 0.000 14.340 14.612) 20.473 35.911 ( -0.000 -2.241 -2.273) 3.192 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.484 -2.129 -2.429) 3.266 1.771 ( 0.072 -1.884 -1.770) 2.586 1.875 ( -0.117 0.168 0.856) 0.880 1.962 ( 1.515 -6.522 -0.417) 6.709 2.085 ( 1.236 2.202 0.207) 2.534 2.115 ( 0.675 -3.693 -0.569) 3.797 2.177 ( -0.483 -0.055 0.120) 0.500 2.289 ( 2.001 -1.403 -0.261) 2.458 2.370 ( 0.421 -2.471 0.287) 2.523 4.424 ( -1.843 -8.236 -12.311) 14.927 5.075 ( 0.710 -3.529 -5.529) 6.597 5.147 ( 0.751 -2.204 -3.122) 3.895 5.386 ( 2.456 1.850 5.781) 6.548 5.751 ( 1.953 -6.679 5.937) 9.148 6.105 ( -2.450 9.768 -1.372) 10.164 6.418 ( -3.345 2.441 -0.858) 4.228 8.234 ( 1.622 7.395 10.523) 12.963 12.121 ( -0.519 -1.704 -2.665) 3.205 14.368 ( 1.846 2.115 5.022) 5.753 15.958 ( 2.428 -1.476 -9.950) 10.348 16.130 ( 3.923 -6.641 2.099) 7.994 17.555 ( 0.218 -15.728 0.262) 15.732 18.265 ( -5.429 9.916 -5.757) 12.687 18.670 ( 4.054 -0.112 5.212) 6.604 19.326 ( -3.558 4.315 2.938) 6.317 19.507 ( 6.080 4.378 10.618) 12.995 20.042 ( 2.100 1.032 -3.196) 3.961 20.868 ( -19.242 -5.584 -13.031) 23.901 21.616 ( 18.085 -10.924 -19.540) 28.778 23.132 ( -4.719 13.332 34.062) 36.881 23.629 ( 13.339 5.258 18.607) 23.490 25.396 ( -8.071 30.791 -32.809) 45.713 25.848 ( -6.970 -35.347 21.891) 42.157 26.415 ( 7.586 -7.168 -11.956) 15.871 26.876 ( -6.189 -17.290 -10.830) 21.320 28.515 ( -6.921 19.865 0.705) 21.048 28.810 ( 7.110 4.889 0.069) 8.628 29.265 ( -3.168 -0.491 -0.423) 3.233 29.868 ( -4.245 -7.780 -3.143) 9.404 30.233 ( 4.259 -0.730 -1.228) 4.492 30.431 ( 3.032 7.426 8.001) 11.330 32.906 ( 3.812 1.872 7.673) 8.770 34.133 ( -1.025 -15.507 -15.679) 22.075 34.991 ( -1.117 15.085 14.582) 21.011 35.859 ( -3.933 1.393 -4.575) 6.192 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 1.398 -3.075 -3.565) 4.911 1.743 ( -0.216 -2.206 -1.266) 2.553 1.877 ( -0.159 0.045 0.585) 0.608 1.931 ( 3.639 -8.025 -0.630) 8.835 2.090 ( 1.793 -4.650 -0.358) 4.997 2.127 ( 1.621 0.859 0.425) 1.884 2.159 ( -1.089 -1.219 0.438) 1.692 2.307 ( 2.331 -2.497 -0.724) 3.492 2.357 ( 1.510 -3.123 0.098) 3.470 4.261 ( -1.584 -7.944 -11.440) 14.017 5.022 ( -0.618 -3.675 -3.135) 4.870 5.135 ( 1.562 -1.615 -3.312) 4.003 5.480 ( 5.080 -0.698 4.406) 6.761 5.729 ( 2.485 -8.969 4.169) 10.198 6.163 ( -3.754 12.407 -0.216) 12.964 6.373 ( -5.468 4.937 -1.062) 7.443 8.380 ( 1.534 7.145 9.951) 12.346 12.083 ( -0.582 -1.683 -2.791) 3.310 14.446 ( 2.212 1.770 5.368) 6.070 15.898 ( -0.518 -6.927 -6.457) 9.484 16.171 ( 7.374 -5.798 -2.080) 9.608 17.434 ( 6.096 -17.879 0.220) 18.891 18.233 ( -9.089 13.620 -5.670) 17.328 18.762 ( 4.886 -1.943 4.907) 7.192 19.307 ( -4.971 2.586 5.399) 7.781 19.724 ( 9.114 3.767 12.970) 16.293 20.100 ( 2.813 5.900 -5.638) 8.632 20.474 ( -15.658 -5.281 -10.796) 19.739 21.571 ( 3.743 -18.455 -16.154) 24.810 23.469 ( 7.793 20.846 29.599) 37.032 24.017 ( 17.600 2.241 24.683) 30.398 25.330 ( -14.820 26.395 -33.639) 45.253 25.511 ( -6.769 -28.147 13.545) 31.961 26.222 ( -8.098 -16.518 -16.617) 24.790 26.763 ( 12.712 -7.801 -8.657) 17.245 28.553 ( -10.568 16.961 3.531) 20.293 28.990 ( 4.237 7.876 1.130) 9.015 29.187 ( -5.025 0.375 -0.888) 5.116 29.738 ( -1.177 -5.759 -3.168) 6.677 30.278 ( 2.878 -2.302 -0.838) 3.779 30.564 ( 2.030 4.258 6.684) 8.181 33.056 ( 7.507 1.496 10.419) 12.929 33.886 ( -3.264 -14.030 -15.377) 21.070 35.178 ( 0.117 12.764 13.870) 18.850 35.771 ( -6.920 4.366 -6.878) 10.689 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.000 -4.362 -4.791) 6.479 1.745 ( -0.000 -1.890 -1.401) 2.353 1.859 ( -0.000 -11.154 -1.103) 11.209 1.876 ( 0.000 -0.901 0.308) 0.953 2.049 ( -0.000 -7.557 -0.648) 7.585 2.096 ( 0.000 1.579 0.805) 1.772 2.180 ( 0.000 -0.615 0.078) 0.619 2.254 ( -0.000 -2.171 -0.340) 2.197 2.335 ( 0.000 -4.063 0.027) 4.063 4.287 ( -0.000 -9.162 -16.171) 18.586 5.005 ( -0.000 -3.426 -5.386) 6.383 5.109 ( -0.000 -2.535 -1.977) 3.215 5.404 ( 0.000 0.740 4.775) 4.832 5.687 ( 0.000 -8.639 5.456) 10.218 6.230 ( -0.000 12.821 -0.564) 12.834 6.475 ( -0.000 4.543 -0.825) 4.618 8.354 ( 0.000 8.145 13.905) 16.115 12.093 ( -0.000 -1.872 -3.824) 4.258 14.400 ( 0.000 1.898 7.342) 7.583 15.861 ( -0.000 -2.972 -12.623) 12.968 16.037 ( 0.000 -8.242 1.877) 8.453 17.356 ( -0.000 -23.719 -0.713) 23.730 18.397 ( -0.000 14.308 -8.482) 16.634 18.663 ( 0.000 -0.075 5.483) 5.483 19.407 ( 0.000 1.694 6.207) 6.434 19.559 ( 0.000 3.433 18.670) 18.983 20.034 ( -0.000 7.039 -9.068) 11.479 20.953 ( -0.000 -8.736 -16.721) 18.865 21.240 ( -0.000 -7.589 -16.949) 18.570 23.442 ( 0.000 8.391 38.097) 39.010 23.668 ( 0.000 7.594 24.549) 25.697 25.575 ( -0.000 15.162 -23.938) 28.336 25.684 ( 0.000 -20.247 4.935) 20.840 26.232 ( -0.000 -5.879 -13.564) 14.783 26.669 ( -0.000 -22.613 -14.159) 26.680 28.771 ( 0.000 3.929 0.356) 3.945 28.836 ( -0.000 28.931 0.274) 28.932 29.284 ( -0.000 0.032 -1.045) 1.046 29.804 ( -0.000 -10.722 -1.450) 10.820 30.196 ( -0.000 1.938 -2.088) 2.849 30.512 ( 0.000 6.012 9.117) 10.921 32.917 ( 0.000 -1.259 10.205) 10.282 33.944 ( -0.000 -11.749 -14.966) 19.027 35.181 ( 0.000 9.615 13.930) 16.926 35.913 ( -0.000 7.778 -6.216) 9.956 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 1.636 -6.659 -6.930) 9.749 1.722 ( -0.095 -1.881 -0.806) 2.049 1.760 ( 3.615 -13.696 -1.468) 14.240 1.859 ( 1.321 -4.622 -0.476) 4.831 1.986 ( 1.656 -7.536 -0.250) 7.720 2.118 ( 0.812 0.337 1.500) 1.739 2.166 ( -0.653 -1.238 0.495) 1.485 2.244 ( 1.724 -2.520 -0.948) 3.197 2.300 ( 0.852 -4.310 -0.248) 4.401 4.128 ( 0.184 -8.711 -15.141) 17.469 4.964 ( 1.113 -3.423 -3.940) 5.337 5.083 ( 0.805 -2.629 -1.379) 3.076 5.439 ( 1.778 -0.442 3.667) 4.099 5.640 ( 1.021 -7.522 4.012) 8.586 6.332 ( -2.256 12.559 0.070) 12.761 6.494 ( -3.244 6.020 -0.763) 6.881 8.495 ( -0.060 7.860 13.271) 15.424 12.055 ( -0.122 -1.870 -4.011) 4.427 14.465 ( 1.210 1.668 8.085) 8.344 15.783 ( 1.643 -6.156 -11.393) 13.054 15.997 ( 4.307 -8.128 -0.143) 9.200 17.149 ( 4.071 -24.162 -0.686) 24.513 18.452 ( -5.004 14.617 -8.971) 17.866 18.706 ( 2.799 -1.331 4.864) 5.768 19.430 ( -2.890 0.676 10.896) 11.293 19.716 ( 4.335 3.266 19.554) 20.293 20.087 ( 2.314 9.512 -13.204) 16.437 20.624 ( -15.451 -6.716 -11.605) 20.458 21.223 ( 10.477 -12.036 -18.004) 24.058 23.703 ( 2.224 11.522 38.301) 40.058 23.948 ( 9.580 4.959 29.391) 31.308 25.380 ( -3.658 -29.094 10.879) 31.275 25.620 ( -9.242 26.426 -39.046) 48.045 26.098 ( -2.540 -10.666 -17.905) 20.995 26.438 ( 6.553 -17.020 -11.083) 21.341 28.801 ( -2.562 7.035 1.062) 7.562 29.104 ( -0.105 24.176 -0.328) 24.179 29.265 ( -2.874 2.321 -0.616) 3.745 29.674 ( -2.151 -10.134 -0.957) 10.404 30.228 ( 1.881 1.490 -1.536) 2.849 30.609 ( 1.091 3.771 7.755) 8.692 32.982 ( 5.524 -4.817 11.675) 13.785 33.769 ( -2.833 -6.694 -13.991) 15.767 35.305 ( 0.932 3.282 12.055) 12.529 35.939 ( -5.985 13.880 -6.487) 16.448 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -0.000 -10.517 -9.718) 14.319 1.559 ( -0.000 -18.967 -2.283) 19.103 1.709 ( -0.000 -0.973 -0.634) 1.161 1.719 ( -0.000 -17.743 -1.663) 17.821 1.942 ( 0.000 -1.166 0.493) 1.265 2.119 ( 0.000 -0.734 2.765) 2.861 2.160 ( 0.000 -1.961 1.345) 2.379 2.200 ( -0.000 -2.274 -1.819) 2.912 2.251 ( -0.000 -3.954 -0.976) 4.073 3.976 ( -0.000 -8.157 -14.267) 16.434 4.906 ( -0.000 -2.902 -3.087) 4.237 5.043 ( 0.000 -3.805 0.155) 3.808 5.436 ( 0.000 -0.388 2.409) 2.440 5.589 ( 0.000 -4.936 2.911) 5.730 6.465 ( 0.000 11.463 0.274) 11.466 6.577 ( -0.000 6.468 -0.580) 6.494 8.632 ( 0.000 7.609 12.804) 14.894 12.019 ( -0.000 -1.876 -4.230) 4.627 14.510 ( 0.000 1.609 9.214) 9.353 15.650 ( -0.000 -6.318 -12.810) 14.283 15.884 ( 0.000 -8.901 0.463) 8.913 16.868 ( -0.000 -26.069 -0.257) 26.070 18.585 ( -0.000 14.510 -10.564) 17.948 18.689 ( 0.000 -1.640 3.587) 3.944 19.507 ( 0.000 -0.305 14.491) 14.494 19.815 ( 0.000 1.867 25.139) 25.208 20.086 ( -0.000 10.425 -21.450) 23.849 20.692 ( -0.000 -6.038 -6.116) 8.594 20.907 ( -0.000 -8.713 -21.215) 22.935 23.940 ( 0.000 6.683 38.657) 39.230 24.075 ( 0.000 5.067 38.627) 38.958 25.186 ( 0.000 -25.613 5.207) 26.137 25.750 ( -0.000 23.582 -43.882) 49.817 25.950 ( -0.000 -7.899 -19.010) 20.586 26.158 ( -0.000 -18.326 -10.103) 20.927 28.866 ( 0.000 5.406 0.373) 5.419 29.281 ( -0.000 0.711 -1.413) 1.582 29.337 ( -0.000 17.941 -4.208) 18.428 29.640 ( 0.000 -1.375 3.749) 3.993 30.231 ( -0.000 3.563 -1.831) 4.006 30.669 ( 0.000 3.644 6.792) 7.708 32.911 ( 0.000 -9.959 10.068) 14.162 33.712 ( -0.000 -0.084 -9.717) 9.717 35.340 ( 0.000 -2.550 7.914) 8.315 36.126 ( -0.000 18.563 -4.235) 19.040 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 -0.000 21.353) 21.353 0.605 ( 0.000 -0.000 21.353) 21.353 1.084 ( 0.000 -0.000 28.861) 28.861 1.713 ( 0.000 -0.000 1.526) 1.526 1.881 ( -0.000 0.000 -9.052) 9.052 1.881 ( -0.000 0.000 -9.052) 9.052 1.959 ( -0.000 0.000 -0.615) 0.615 2.222 ( 0.000 -0.000 2.714) 2.714 2.222 ( 0.000 -0.000 2.714) 2.714 4.163 ( 0.000 -0.000 27.125) 27.125 4.806 ( 0.000 -0.000 0.908) 0.908 4.806 ( 0.000 -0.000 0.908) 0.908 5.438 ( -0.000 0.000 -0.756) 0.756 5.438 ( -0.000 0.000 -0.756) 0.756 6.797 ( -0.000 0.000 -0.292) 0.292 6.797 ( -0.000 0.000 -0.292) 0.292 8.546 ( -0.000 0.000 -27.817) 27.817 12.088 ( 0.000 -0.000 8.378) 8.378 14.310 ( -0.000 0.000 -15.856) 15.856 15.579 ( 0.000 -0.000 1.411) 1.411 15.579 ( 0.000 -0.000 1.411) 1.411 15.669 ( 0.000 -0.000 19.267) 19.267 18.565 ( -0.000 0.000 -4.080) 4.080 19.202 ( -0.000 0.000 -20.595) 20.595 19.202 ( -0.000 0.000 -20.595) 20.595 20.458 ( 0.000 -0.000 20.956) 20.956 20.458 ( 0.000 -0.000 20.956) 20.956 20.844 ( 0.000 -0.000 6.663) 6.663 20.844 ( 0.000 -0.000 6.663) 6.663 22.380 ( -0.000 0.000 -0.394) 0.394 23.791 ( -0.000 0.000 -36.448) 36.448 23.791 ( -0.000 0.000 -36.448) 36.448 25.875 ( 0.000 -0.000 19.164) 19.164 25.875 ( 0.000 -0.000 19.164) 19.164 28.988 ( -0.000 0.000 -4.166) 4.166 28.988 ( -0.000 0.000 -4.166) 4.166 29.413 ( 0.000 -0.000 5.849) 5.849 29.413 ( 0.000 -0.000 5.849) 5.849 30.394 ( 0.000 -0.000 1.439) 1.439 30.394 ( 0.000 -0.000 1.439) 1.439 30.950 ( -0.000 0.000 -8.020) 8.020 31.374 ( 0.000 -0.000 5.468) 5.468 33.954 ( 0.000 -0.000 6.490) 6.490 35.130 ( -0.000 0.000 -4.435) 4.435 36.882 ( 0.000 -0.000 1.214) 1.214 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 15.014 8.668 15.477) 23.240 0.929 ( 16.624 9.598 14.572) 24.100 1.241 ( 3.898 2.251 20.860) 21.340 1.719 ( -0.159 -0.092 2.957) 2.962 1.865 ( 2.598 1.500 -9.050) 9.534 1.874 ( 2.250 1.299 -7.772) 8.195 1.965 ( 1.344 0.776 -1.741) 2.332 2.234 ( 0.179 0.103 2.350) 2.359 2.236 ( 0.133 0.077 2.302) 2.307 4.265 ( -1.716 -0.991 30.986) 31.049 4.821 ( 1.186 0.685 1.157) 1.793 4.866 ( 4.362 2.518 0.531) 5.065 5.428 ( -0.509 -0.294 -1.040) 1.195 5.453 ( 1.114 0.643 -2.738) 3.024 6.763 ( -3.162 -1.825 -0.309) 3.664 6.763 ( -2.864 -1.653 -0.270) 3.318 8.410 ( -0.263 -0.152 -28.954) 28.956 12.119 ( -0.600 -0.347 8.296) 8.325 14.260 ( 1.758 1.015 -14.278) 14.422 15.584 ( 0.129 0.074 3.209) 3.213 15.805 ( 4.590 2.650 16.164) 17.011 15.869 ( 21.747 12.556 -2.085) 25.198 18.560 ( 1.328 0.767 -4.231) 4.500 19.097 ( -0.959 -0.554 -19.270) 19.301 19.227 ( 9.258 5.345 -20.885) 23.462 20.043 ( -35.318 -20.391 27.621) 49.256 20.454 ( -4.532 -2.616 19.675) 20.359 20.863 ( 0.441 0.254 11.882) 11.893 20.883 ( -0.857 -0.495 6.305) 6.382 22.976 ( 37.802 21.825 -18.247) 47.311 23.553 ( 0.365 0.211 -36.170) 36.173 23.798 ( 8.620 4.977 -35.910) 37.264 25.916 ( -1.478 -0.853 18.775) 18.852 26.087 ( 9.367 5.408 16.025) 19.333 28.635 ( -43.439 -25.079 34.376) 60.808 28.934 ( -2.575 -1.486 -3.671) 4.724 29.158 ( -2.600 -1.501 6.931) 7.553 29.431 ( -0.998 -0.576 5.344) 5.467 30.089 ( -10.152 -5.861 0.356) 11.727 30.373 ( -2.286 -1.320 1.462) 3.018 30.826 ( -9.749 -5.628 -9.652) 14.828 31.945 ( 29.495 17.029 -12.252) 36.194 33.950 ( -2.697 -1.557 7.561) 8.177 35.119 ( 1.076 0.621 -5.381) 5.523 36.776 ( -9.465 -5.465 2.390) 11.188 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 7.077 4.086 10.359) 13.195 1.296 ( 16.442 9.493 9.299) 21.141 1.482 ( 12.891 7.443 8.422) 17.103 1.742 ( 0.805 0.465 5.406) 5.486 1.884 ( 0.772 0.446 -3.617) 3.725 1.909 ( 4.699 2.713 -7.276) 9.076 2.017 ( 4.514 2.606 -3.741) 6.416 2.248 ( 0.129 0.075 1.729) 1.735 2.253 ( 0.779 0.450 1.759) 1.976 4.367 ( -1.947 -1.124 28.862) 28.949 4.866 ( 2.180 1.258 2.090) 3.272 4.995 ( 6.908 3.988 2.229) 8.282 5.410 ( -0.448 -0.259 -1.903) 1.972 5.447 ( 0.041 0.023 -4.346) 4.346 6.653 ( -6.699 -3.868 -0.462) 7.750 6.679 ( -4.801 -2.772 -0.017) 5.543 8.291 ( 1.184 0.683 -26.434) 26.469 12.137 ( -1.001 -0.578 7.085) 7.179 14.259 ( 3.514 2.029 -11.718) 12.401 15.614 ( 0.920 0.531 4.493) 4.617 15.995 ( 6.497 3.751 12.310) 14.416 16.388 ( 25.358 14.640 -0.468) 29.284 18.589 ( 3.053 1.763 -3.338) 4.855 18.990 ( -1.304 -0.753 -16.538) 16.607 19.343 ( 3.246 1.874 -19.334) 19.694 19.475 ( -20.753 -11.982 19.711) 31.029 20.423 ( -6.112 -3.529 16.050) 17.534 20.885 ( -1.429 -0.825 7.539) 7.718 20.932 ( 0.103 0.059 14.302) 14.303 23.473 ( 8.268 4.774 -32.477) 33.851 23.586 ( 24.389 14.081 -18.075) 33.464 23.836 ( 9.757 5.633 -36.158) 37.873 25.974 ( -1.106 -0.639 18.347) 18.391 26.418 ( 14.780 8.533 12.378) 21.082 27.879 ( -41.845 -24.159 52.111) 71.065 28.850 ( -3.605 -2.081 -2.729) 4.977 29.205 ( 1.174 0.678 -1.960) 2.384 29.419 ( -2.039 -1.177 4.251) 4.860 29.868 ( -10.310 -5.953 -3.534) 12.419 30.312 ( -3.704 -2.138 1.568) 4.555 30.570 ( -7.232 -4.176 -10.033) 13.054 32.404 ( 19.284 11.134 -11.741) 25.174 33.926 ( -2.629 -1.518 9.405) 9.883 35.123 ( 1.732 1.000 -7.745) 7.999 36.523 ( -14.320 -8.268 3.022) 16.809 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 1.831 1.057 4.437) 4.915 1.649 ( 12.728 7.349 4.666) 15.420 1.721 ( 3.783 2.184 4.261) 6.103 1.831 ( 3.549 2.049 1.480) 4.357 1.904 ( 4.782 2.761 1.595) 5.747 1.991 ( 4.704 2.716 -4.099) 6.805 2.104 ( 4.042 2.334 -2.196) 5.158 2.258 ( 0.247 0.143 0.996) 1.036 2.293 ( 2.645 1.527 0.859) 3.172 4.418 ( -4.315 -2.491 22.374) 22.922 4.925 ( 1.733 1.000 3.600) 4.118 5.160 ( 5.101 2.945 4.998) 7.725 5.401 ( 0.934 0.539 -3.242) 3.417 5.448 ( 3.885 2.243 -6.359) 7.782 6.473 ( -9.491 -5.480 -0.459) 10.969 6.564 ( -5.582 -3.223 0.395) 6.458 8.236 ( 3.863 2.230 -20.816) 21.289 12.137 ( -1.565 -0.904 5.356) 5.652 14.302 ( 4.609 2.661 -8.884) 10.357 15.659 ( 0.954 0.551 5.490) 5.599 16.173 ( 5.119 2.956 7.538) 9.580 16.934 ( 23.987 13.849 1.334) 27.730 18.672 ( 5.565 3.213 -0.101) 6.427 18.897 ( -0.793 -0.458 -13.285) 13.317 18.929 ( -23.936 -13.819 10.274) 29.487 19.546 ( 10.543 6.087 -17.396) 21.233 20.328 ( -7.937 -4.582 10.326) 13.807 20.894 ( -1.515 -0.875 9.765) 9.921 20.988 ( -1.591 -0.918 16.951) 17.051 23.560 ( 13.118 7.574 -30.449) 34.009 23.889 ( 10.225 5.903 -37.060) 38.895 23.972 ( 17.099 9.872 -8.326) 21.428 26.027 ( -1.730 -0.999 18.134) 18.243 26.810 ( 14.284 8.247 8.950) 18.765 27.286 ( -32.369 -18.688 48.605) 61.314 28.763 ( -3.235 -1.867 -1.537) 4.039 28.968 ( -20.857 -12.042 -12.034) 26.923 29.385 ( -2.523 -1.456 2.795) 4.037 29.777 ( 3.653 2.109 3.190) 5.288 30.235 ( -3.893 -2.247 1.736) 4.818 30.444 ( -0.660 -0.381 -11.306) 11.331 32.715 ( 14.248 8.226 -10.492) 19.512 33.936 ( -1.072 -0.619 13.183) 13.241 35.112 ( 1.162 0.671 -11.366) 11.445 36.211 ( -15.079 -8.706 4.137) 17.897 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -0.453 -0.261 0.930) 1.067 1.771 ( -0.356 -0.206 5.042) 5.059 1.846 ( 0.528 0.305 -1.122) 1.278 1.886 ( 7.939 4.583 1.414) 9.275 2.050 ( 1.216 0.702 -1.022) 1.737 2.057 ( 5.199 3.001 1.423) 6.169 2.155 ( 1.330 0.768 -0.433) 1.596 2.271 ( 0.695 0.401 0.247) 0.840 2.368 ( 3.282 1.895 -0.095) 3.790 4.377 ( -7.275 -4.200 15.443) 17.580 4.962 ( -0.203 -0.117 4.690) 4.696 5.198 ( -2.123 -1.226 1.986) 3.156 5.425 ( 2.667 1.540 -4.150) 5.168 5.617 ( 12.651 7.304 -3.782) 15.090 6.246 ( -10.941 -6.317 0.020) 12.633 6.456 ( -4.161 -2.402 0.855) 4.880 8.272 ( 6.607 3.815 -14.435) 16.327 12.118 ( -2.083 -1.203 3.743) 4.450 14.371 ( 4.808 2.776 -6.525) 8.567 15.698 ( 0.033 0.019 6.685) 6.685 16.261 ( 0.548 0.316 2.239) 2.326 17.416 ( 19.204 11.087 0.900) 22.193 18.469 ( -21.623 -12.484 6.567) 25.817 18.798 ( 1.367 0.789 -0.922) 1.828 18.881 ( 7.928 4.577 -4.220) 10.080 19.685 ( 9.609 5.548 -18.580) 21.640 20.182 ( -8.463 -4.886 5.071) 11.010 20.895 ( -2.829 -1.633 10.416) 10.916 21.014 ( -3.654 -2.110 19.630) 20.078 23.742 ( 15.335 8.854 -29.459) 34.371 23.940 ( 9.959 5.750 -38.086) 39.784 24.299 ( 15.081 8.707 2.692) 17.621 26.057 ( -3.179 -1.836 18.229) 18.595 26.654 ( -30.213 -17.444 36.780) 50.694 27.303 ( 10.854 6.267 6.766) 14.243 28.395 ( -20.705 -11.954 -12.281) 26.877 28.706 ( -1.356 -0.783 -0.331) 1.600 29.340 ( -2.354 -1.359 1.304) 3.015 29.911 ( 3.923 2.265 5.120) 6.836 30.169 ( -2.666 -1.539 1.907) 3.621 30.424 ( 3.694 2.133 -11.065) 11.859 32.931 ( 10.090 5.825 -10.956) 15.993 33.976 ( -2.925 -1.688 17.073) 17.404 35.089 ( 3.334 1.925 -14.509) 15.012 35.941 ( -11.203 -6.468 5.648) 14.115 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.041 -1.756 0.722) 3.585 1.760 ( -1.765 -1.019 2.420) 3.164 1.865 ( 0.956 0.552 0.526) 1.223 1.995 ( -1.605 -0.927 -0.147) 1.859 2.041 ( 1.680 0.970 0.523) 2.009 2.115 ( -0.516 -0.298 0.878) 1.060 2.172 ( 0.557 0.321 0.094) 0.649 2.280 ( -0.281 -0.162 -0.029) 0.326 2.399 ( -0.664 -0.383 -0.768) 1.085 4.253 ( -9.171 -5.295 11.022) 15.285 4.961 ( -1.575 -0.909 4.625) 4.970 5.144 ( -2.547 -1.470 0.095) 2.942 5.460 ( 1.772 1.023 -3.952) 4.451 5.871 ( 7.319 4.226 -4.497) 9.573 6.037 ( -4.324 -2.497 2.323) 5.507 6.410 ( -0.083 -0.048 1.107) 1.111 8.381 ( 8.221 4.747 -10.183) 13.922 12.083 ( -2.346 -1.354 2.789) 3.888 14.444 ( 4.188 2.418 -5.426) 7.268 15.716 ( -1.666 -0.962 8.330) 8.549 16.215 ( -4.700 -2.714 -1.493) 5.629 17.680 ( -0.996 -0.575 -1.754) 2.097 18.133 ( -5.811 -3.355 6.617) 9.424 18.770 ( -0.616 -0.355 -5.253) 5.301 19.146 ( 13.287 7.671 6.465) 16.649 19.790 ( 7.931 4.579 -19.925) 21.929 20.020 ( -7.399 -4.272 1.534) 8.680 20.859 ( -4.681 -2.702 9.594) 11.012 21.007 ( -5.559 -3.210 21.736) 22.664 23.931 ( 13.970 8.066 -30.199) 34.237 23.972 ( 8.929 5.155 -38.750) 40.098 24.678 ( 16.514 9.534 14.435) 23.916 26.051 ( -4.988 -2.880 18.504) 19.379 26.159 ( -28.761 -16.605 31.002) 45.432 27.189 ( -20.507 -11.840 -12.527) 26.789 28.316 ( 16.214 9.361 1.418) 18.776 28.707 ( 1.404 0.810 0.548) 1.711 29.299 ( -1.606 -0.927 0.249) 1.871 29.928 ( -3.854 -2.225 2.332) 5.024 30.143 ( -0.462 -0.267 2.005) 2.075 30.507 ( 6.967 4.022 -7.346) 10.894 33.058 ( 6.355 3.669 -12.087) 14.141 33.904 ( -10.693 -6.174 16.816) 20.862 35.185 ( 11.485 6.631 -13.754) 19.106 35.785 ( -5.518 -3.186 7.036) 9.492 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -6.307 -3.642 3.511) 8.085 1.731 ( -1.487 -0.858 1.148) 2.065 1.847 ( -10.413 -6.012 0.581) 12.038 1.875 ( -0.835 -0.482 0.205) 0.986 2.041 ( -6.425 -3.709 0.557) 7.440 2.102 ( 2.168 1.252 -0.041) 2.504 2.178 ( -0.191 -0.110 0.282) 0.358 2.251 ( -2.239 -1.293 0.004) 2.586 2.339 ( -4.011 -2.316 -0.531) 4.662 4.099 ( -9.071 -5.237 10.719) 14.986 4.941 ( -2.095 -1.209 4.003) 4.677 5.097 ( -1.963 -1.133 -0.030) 2.267 5.459 ( -0.220 -0.127 -3.246) 3.256 5.744 ( -8.316 -4.801 -2.679) 9.969 6.224 ( 11.986 6.920 0.181) 13.841 6.463 ( 4.138 2.389 0.956) 4.873 8.519 ( 8.158 4.710 -9.687) 13.512 12.046 ( -2.203 -1.272 2.915) 3.869 14.497 ( 2.971 1.716 -6.269) 7.147 15.699 ( -3.743 -2.161 10.491) 11.347 16.064 ( -7.766 -4.483 -2.280) 9.252 17.353 ( -21.355 -12.329 -0.340) 24.661 18.293 ( 11.102 6.410 6.142) 14.215 18.732 ( -0.919 -0.531 -4.340) 4.468 19.448 ( 10.230 5.907 1.553) 11.915 19.842 ( 5.479 3.163 -22.269) 23.151 19.916 ( -1.618 -0.934 6.337) 6.607 20.783 ( -5.794 -3.345 8.161) 10.552 20.969 ( -7.086 -4.091 22.478) 23.921 23.974 ( 7.343 4.240 -38.897) 39.811 24.061 ( 10.770 6.218 -32.711) 34.995 25.151 ( 18.250 10.537 27.635) 34.753 25.684 ( -25.113 -14.499 16.696) 33.461 26.010 ( -6.425 -3.710 18.777) 20.190 26.612 ( -24.231 -13.990 -7.764) 29.037 28.769 ( 3.806 2.198 0.669) 4.446 28.819 ( 25.495 14.719 2.463) 29.542 29.276 ( -0.512 -0.295 0.158) 0.611 29.796 ( -7.952 -4.591 -0.059) 9.183 30.167 ( 1.768 1.021 1.975) 2.841 30.615 ( 5.004 2.889 -5.711) 8.124 33.073 ( -0.687 -0.397 -12.680) 12.705 33.742 ( -8.476 -4.894 14.807) 17.750 35.360 ( 6.415 3.704 -12.205) 14.277 35.816 ( 7.150 4.128 7.870) 11.406 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.000 15.901 15.509) 22.212 0.980 ( 0.000 16.874 15.043) 22.606 1.326 ( 0.000 3.423 16.213) 16.571 1.736 ( 0.000 0.086 3.966) 3.967 1.829 ( -0.000 3.526 -8.418) 9.126 1.833 ( -0.000 3.933 -9.719) 10.485 1.957 ( -0.000 0.899 -1.447) 1.703 2.242 ( 0.000 -0.085 2.103) 2.104 2.247 ( 0.000 0.258 1.967) 1.984 4.414 ( 0.000 -1.420 32.525) 32.556 4.840 ( 0.000 2.361 1.174) 2.637 4.855 ( 0.000 4.173 0.887) 4.266 5.420 ( -0.000 -1.023 -1.057) 1.471 5.444 ( -0.000 0.809 -2.323) 2.460 6.754 ( -0.000 -4.062 -0.329) 4.076 6.770 ( -0.000 -2.755 -0.252) 2.766 8.271 ( -0.000 -0.391 -30.384) 30.387 12.157 ( 0.000 -0.629 7.907) 7.932 14.195 ( -0.000 1.878 -12.986) 13.121 15.625 ( 0.000 3.178 1.800) 3.653 15.845 ( -0.000 23.803 -1.215) 23.834 15.868 ( 0.000 3.096 16.401) 16.691 18.538 ( -0.000 1.265 -4.347) 4.528 19.047 ( -0.000 1.272 -16.844) 16.892 19.095 ( -0.000 6.389 -18.979) 20.026 20.077 ( 0.000 -39.516 25.076) 46.801 20.714 ( 0.000 1.187 10.388) 10.456 20.862 ( 0.000 -1.564 16.890) 16.962 20.962 ( 0.000 4.745 7.983) 9.287 22.817 ( -0.000 30.152 -13.733) 33.132 23.324 ( -0.000 -6.701 -34.800) 35.439 23.714 ( -0.000 18.555 -34.361) 39.051 26.061 ( 0.000 5.429 16.952) 17.800 26.094 ( 0.000 4.041 13.991) 14.563 28.673 ( 0.000 -39.911 21.708) 45.433 28.943 ( -0.000 -1.595 -3.828) 4.147 29.274 ( 0.000 -3.764 10.887) 11.519 29.444 ( 0.000 -1.921 5.403) 5.735 30.080 ( 0.000 -14.968 0.012) 14.968 30.391 ( 0.000 -1.952 1.478) 2.448 30.782 ( -0.000 -11.563 -8.955) 14.625 31.895 ( -0.000 31.833 -9.336) 33.174 33.983 ( 0.000 -2.994 7.837) 8.390 35.094 ( -0.000 0.846 -5.580) 5.643 36.789 ( 0.000 -10.269 2.045) 10.471 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 7.333 12.666 10.677) 18.117 1.267 ( 7.380 12.372 10.257) 17.685 1.461 ( 4.597 8.224 8.867) 12.938 1.762 ( 0.436 0.877 4.908) 5.005 1.849 ( 2.103 4.331 -6.566) 8.142 1.859 ( 2.047 4.181 -6.539) 8.027 1.976 ( 1.899 2.979 -2.885) 4.561 2.253 ( 0.351 0.010 1.680) 1.716 2.257 ( 0.002 0.321 1.502) 1.536 4.528 ( -2.165 -1.205 29.980) 30.083 4.876 ( 0.661 3.695 1.788) 4.158 4.951 ( 4.719 5.354 2.457) 7.548 5.400 ( -0.290 -1.452 -1.647) 2.215 5.433 ( -0.294 -0.131 -3.454) 3.469 6.682 ( -2.973 -6.014 -0.411) 6.721 6.712 ( -2.976 -3.948 -0.147) 4.946 8.147 ( 1.467 0.424 -27.965) 28.007 12.177 ( -0.740 -0.813 6.763) 6.852 14.182 ( 2.220 2.809 -10.690) 11.273 15.663 ( -0.703 4.963 2.379) 5.548 16.000 ( 3.881 3.576 13.321) 14.328 16.221 ( 15.318 24.172 -0.717) 28.626 18.549 ( 1.901 1.915 -3.571) 4.476 18.954 ( -2.702 1.613 -14.755) 15.087 19.161 ( 8.278 6.305 -18.281) 21.035 19.700 ( -14.999 -31.886 21.438) 41.247 20.669 ( -9.059 1.549 11.319) 14.580 20.817 ( -4.549 -5.949 10.314) 12.746 21.124 ( 0.738 11.097 13.208) 17.267 23.159 ( 10.949 -3.396 -29.645) 31.785 23.218 ( 19.031 12.447 -17.601) 28.756 23.774 ( 0.929 23.201 -31.614) 39.225 26.115 ( -3.882 5.061 15.059) 16.354 26.337 ( 10.787 7.974 11.578) 17.720 28.252 ( -17.809 -43.019 39.197) 60.863 28.887 ( -2.866 -1.920 -3.190) 4.699 29.261 ( -4.430 5.554 3.785) 8.050 29.454 ( -0.345 -1.070 4.114) 4.264 29.884 ( -5.402 -13.542 -5.045) 15.428 30.354 ( -2.484 -2.352 1.374) 3.686 30.574 ( -5.363 -9.944 -8.885) 14.373 32.232 ( 12.273 20.502 -10.098) 25.941 33.982 ( -1.267 -1.947 8.722) 9.026 35.079 ( 0.597 0.650 -6.883) 6.940 36.620 ( -7.844 -12.777 2.418) 15.186 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.692 1.550 4.204) 4.789 1.579 ( 9.537 11.564 6.241) 16.237 1.691 ( 6.448 7.482 3.734) 10.559 1.815 ( 1.907 1.960 2.296) 3.571 1.888 ( 1.736 2.573 1.867) 3.622 1.934 ( 4.187 5.905 -5.415) 9.040 2.054 ( 4.137 4.528 -2.995) 6.826 2.265 ( -0.039 0.594 1.019) 1.180 2.276 ( 1.417 0.786 0.988) 1.898 4.578 ( -4.760 -2.235 23.147) 23.737 4.943 ( 1.132 4.365 3.309) 5.594 5.121 ( 6.790 5.589 5.096) 10.164 5.373 ( 0.250 -1.324 -3.219) 3.490 5.407 ( 0.123 0.642 -5.161) 5.202 6.540 ( -6.283 -7.385 -0.624) 9.716 6.607 ( -4.437 -4.909 0.263) 6.622 8.089 ( 4.218 2.050 -22.085) 22.577 12.178 ( -1.442 -1.075 5.136) 5.442 14.220 ( 3.945 3.493 -8.089) 9.653 15.716 ( -0.870 5.826 3.773) 6.995 16.161 ( 4.811 3.462 8.737) 10.558 16.725 ( 19.824 19.726 0.453) 27.970 18.613 ( 4.740 2.917 -1.049) 5.663 18.858 ( -2.918 -0.688 -11.010) 11.411 19.171 ( -13.280 -9.826 -0.076) 16.520 19.364 ( 4.641 -4.954 -4.063) 7.911 20.548 ( -13.924 2.305 9.925) 17.254 20.766 ( 3.930 -12.918 8.480) 15.944 21.283 ( -5.524 16.062 16.511) 23.688 23.161 ( 15.489 -6.130 -29.499) 33.877 23.600 ( 20.399 7.430 -15.775) 26.836 23.888 ( 2.451 22.672 -24.567) 33.519 26.173 ( -3.672 5.490 14.736) 16.148 26.671 ( 14.617 8.323 7.472) 18.406 27.714 ( -24.028 -36.192 43.455) 61.445 28.785 ( -4.773 -4.051 -3.767) 7.306 29.156 ( -15.211 -3.232 -6.888) 17.008 29.408 ( -2.752 -4.830 1.097) 5.667 29.734 ( 3.044 -2.291 2.698) 4.669 30.281 ( -3.427 -2.946 -0.222) 4.525 30.415 ( -2.133 -1.780 -8.794) 9.223 32.547 ( 12.276 12.738 -8.899) 19.803 34.003 ( -0.477 0.775 11.004) 11.042 35.052 ( 0.315 -0.873 -9.510) 9.555 36.344 ( -11.576 -13.031 3.041) 17.693 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.010 0.183 1.255) 1.269 1.795 ( 0.751 1.344 4.085) 4.366 1.825 ( 7.163 7.344 2.213) 10.495 1.836 ( 0.334 0.245 -1.437) 1.495 2.016 ( 5.183 5.059 2.156) 7.557 2.031 ( 2.941 4.032 -1.860) 5.326 2.132 ( 2.276 1.672 -0.767) 2.927 2.278 ( 0.007 1.550 0.445) 1.613 2.333 ( 3.260 2.188 0.127) 3.929 4.537 ( -7.605 -3.943 16.188) 18.315 5.007 ( -0.676 3.363 5.176) 6.210 5.228 ( -1.203 -0.727 3.233) 3.526 5.380 ( 2.710 1.321 -4.578) 5.481 5.480 ( 9.620 7.122 -4.301) 12.719 6.340 ( -8.743 -7.969 -0.470) 11.839 6.489 ( -4.061 -5.207 0.740) 6.645 8.125 ( 6.996 3.761 -15.248) 17.193 12.157 ( -2.028 -1.333 3.594) 4.337 14.295 ( 4.625 3.720 -5.906) 8.373 15.772 ( -1.680 5.708 5.440) 8.062 16.273 ( 1.489 2.336 3.394) 4.381 17.212 ( 19.466 13.770 0.631) 23.853 18.638 ( -11.824 -16.037 2.485) 20.079 18.777 ( 7.431 4.772 1.678) 8.990 18.877 ( -9.080 2.530 -4.096) 10.278 19.480 ( 10.662 3.066 -14.414) 18.189 20.365 ( -13.634 0.166 4.831) 14.466 20.756 ( 5.396 -15.458 10.660) 19.537 21.386 ( -11.372 17.621 19.010) 28.306 23.272 ( 21.084 -6.315 -29.660) 36.934 23.847 ( 6.196 18.606 -27.558) 33.824 24.100 ( 14.830 8.138 -2.647) 17.122 26.222 ( -5.098 5.547 14.830) 16.634 26.918 ( -1.848 -10.512 14.379) 17.908 27.281 ( -7.805 -15.334 25.931) 31.120 28.504 ( -15.780 -16.595 -12.118) 25.909 28.835 ( -11.495 3.449 -1.890) 12.149 29.345 ( -0.847 -4.616 1.035) 4.806 29.868 ( 5.530 2.049 7.251) 9.346 30.214 ( -1.148 -0.166 -2.070) 2.373 30.364 ( -0.093 2.547 -8.686) 9.052 32.788 ( 9.877 8.202 -8.485) 15.389 34.080 ( -0.454 2.650 15.051) 15.289 34.987 ( 0.927 -2.614 -13.249) 13.536 36.060 ( -10.505 -10.645 3.956) 15.470 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.669 -0.605 0.825) 1.958 1.791 ( -1.861 -0.572 1.103) 2.237 1.857 ( 1.129 0.585 1.090) 1.675 1.976 ( 4.037 3.818 0.254) 5.562 2.063 ( -1.443 1.136 0.053) 1.837 2.115 ( 1.685 1.742 0.952) 2.604 2.162 ( 1.131 0.253 -0.052) 1.160 2.295 ( -0.497 1.909 0.125) 1.976 2.393 ( 1.366 0.973 -0.614) 1.786 4.413 ( -9.494 -5.188 11.753) 15.975 5.024 ( -2.808 1.368 5.586) 6.400 5.176 ( -2.976 -1.940 0.516) 3.590 5.428 ( 2.491 3.385 -4.999) 6.531 5.739 ( 12.530 8.427 -2.862) 15.369 6.115 ( -9.011 -7.635 0.328) 11.816 6.403 ( -0.988 -4.144 1.111) 4.403 8.237 ( 8.571 4.791 -10.674) 14.504 12.122 ( -2.320 -1.458 2.673) 3.828 14.378 ( 4.175 3.445 -4.874) 7.284 15.812 ( -3.091 4.562 7.455) 9.271 16.271 ( -3.913 0.246 -0.717) 3.985 17.592 ( 12.928 6.845 -0.678) 14.644 18.256 ( -14.037 -14.051 4.911) 20.459 18.796 ( -3.701 4.355 -7.222) 9.210 19.027 ( 12.496 6.169 7.038) 15.612 19.608 ( 8.911 4.264 -15.597) 18.462 20.163 ( -11.858 -0.837 1.024) 11.931 20.737 ( 4.575 -16.964 11.887) 21.213 21.410 ( -15.614 15.237 20.016) 29.607 23.441 ( 22.045 -4.101 -31.763) 38.880 23.937 ( -0.219 20.441 -31.030) 37.158 24.486 ( 21.814 3.966 12.932) 25.668 26.236 ( -7.279 3.814 14.585) 16.741 26.522 ( -24.027 -25.912 27.053) 44.504 27.246 ( -5.855 -11.639 -9.494) 16.121 28.198 ( 3.148 -0.256 -1.355) 3.437 28.766 ( -4.027 5.867 0.418) 7.128 29.296 ( -0.484 -3.941 0.153) 3.974 29.920 ( -0.179 -5.695 4.599) 7.323 30.220 ( -2.670 4.575 1.468) 5.497 30.405 ( 5.964 5.757 -8.897) 12.160 32.950 ( 6.779 6.058 -9.195) 12.931 34.097 ( -8.842 -2.648 17.180) 19.502 34.986 ( 9.789 1.655 -14.740) 17.771 35.859 ( -6.177 -7.098 4.822) 10.573 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.989 -1.370 2.621) 4.966 1.756 ( -1.966 -0.902 0.796) 2.305 1.877 ( 0.420 0.180 0.381) 0.596 1.958 ( -7.044 -2.182 0.240) 7.378 2.086 ( 1.845 2.517 0.079) 3.122 2.106 ( -3.536 -1.152 0.613) 3.770 2.177 ( 0.253 -0.201 0.184) 0.372 2.286 ( -2.297 0.726 0.149) 2.414 2.376 ( -2.721 -1.111 -0.639) 3.008 4.256 ( -9.491 -5.261 11.483) 15.799 5.002 ( -3.361 0.154 4.907) 5.949 5.121 ( -2.169 -1.154 0.831) 2.593 5.456 ( -0.180 2.638 -4.485) 5.207 5.824 ( -7.679 -2.948 -4.464) 9.358 6.085 ( 11.376 3.923 1.376) 12.112 6.404 ( 3.906 -1.704 1.133) 4.409 8.379 ( 8.447 4.793 -10.088) 14.003 12.083 ( -2.171 -1.364 2.780) 3.782 14.443 ( 2.795 2.772 -5.577) 6.826 15.820 ( -4.784 2.247 9.800) 11.135 16.157 ( -8.000 -1.272 -1.968) 8.336 17.564 ( -15.339 -8.063 -1.075) 17.363 18.179 ( 9.886 0.604 6.372) 11.777 18.751 ( -2.777 3.122 -5.984) 7.298 19.318 ( 12.268 3.597 3.630) 13.290 19.701 ( 5.202 5.717 -16.846) 18.535 20.005 ( -6.199 1.016 1.914) 6.567 20.692 ( 3.100 -17.445 12.180) 21.501 21.348 ( -17.031 9.635 19.483) 27.613 23.606 ( 17.563 1.518 -34.870) 39.073 23.962 ( -0.550 15.872 -29.991) 33.937 24.993 ( 24.574 4.891 25.649) 35.856 25.968 ( -23.476 -22.404 8.694) 33.596 26.206 ( -9.956 -0.028 17.288) 19.950 26.817 ( -19.395 -14.232 -4.876) 24.546 28.509 ( 22.520 6.710 1.324) 23.536 28.806 ( 0.978 8.909 0.539) 8.979 29.262 ( 0.556 -3.125 0.044) 3.174 29.834 ( -3.939 -7.600 1.895) 8.767 30.213 ( -2.983 3.937 1.603) 5.193 30.534 ( 5.889 5.313 -6.794) 10.444 33.034 ( 2.000 5.186 -11.057) 12.375 33.919 ( -12.662 -8.193 15.794) 21.838 35.183 ( 13.866 6.278 -13.615) 20.422 35.782 ( 1.112 -3.789 6.821) 7.882 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 6.483 7.273) 9.743 1.394 ( 0.000 15.965 9.353) 18.503 1.550 ( 0.000 11.456 6.173) 13.014 1.787 ( 0.000 1.722 2.533) 3.063 1.859 ( -0.000 7.389 -8.089) 10.956 1.859 ( -0.000 3.929 -0.962) 4.045 1.982 ( -0.000 4.472 -2.948) 5.356 2.256 ( 0.000 -0.185 1.419) 1.431 2.268 ( 0.000 0.508 1.179) 1.284 4.664 ( 0.000 -1.734 26.164) 26.221 4.919 ( 0.000 4.681 1.519) 4.921 4.986 ( 0.000 7.371 4.573) 8.674 5.378 ( -0.000 -2.175 -1.641) 2.724 5.416 ( -0.000 -0.640 -3.725) 3.779 6.639 ( -0.000 -7.860 -0.360) 7.868 6.693 ( -0.000 -5.049 -0.228) 5.054 8.017 ( -0.000 1.289 -25.390) 25.423 12.203 ( 0.000 -1.103 5.608) 5.715 14.149 ( -0.000 3.570 -8.557) 9.272 15.723 ( 0.000 5.726 0.427) 5.742 16.063 ( 0.000 3.305 12.352) 12.786 16.358 ( 0.000 29.688 0.285) 29.689 18.535 ( -0.000 1.938 -2.864) 3.458 18.954 ( -0.000 3.722 -13.508) 14.011 19.064 ( -0.000 5.593 -13.645) 14.746 19.593 ( 0.000 -32.429 17.856) 37.020 20.644 ( 0.000 -9.967 3.110) 10.441 21.125 ( 0.000 6.112 19.394) 20.335 21.162 ( 0.000 8.955 6.393) 11.003 22.937 ( -0.000 -4.638 -24.698) 25.130 23.072 ( -0.000 12.766 -15.417) 20.017 23.884 ( -0.000 28.144 -27.144) 39.101 26.273 ( 0.000 4.227 7.815) 8.885 26.376 ( 0.000 12.639 14.169) 18.987 28.133 ( 0.000 -44.431 36.609) 57.571 28.865 ( -0.000 -3.106 -3.144) 4.420 29.409 ( 0.000 7.661 2.543) 8.072 29.437 ( 0.000 -3.298 4.037) 5.212 29.743 ( -0.000 -18.987 -6.507) 20.071 30.351 ( 0.000 -3.367 1.023) 3.519 30.474 ( -0.000 -10.249 -8.308) 13.193 32.298 ( -0.000 20.702 -8.284) 22.298 34.019 ( 0.000 -0.230 8.637) 8.640 35.046 ( -0.000 -0.366 -7.110) 7.119 36.558 ( 0.000 -15.538 2.077) 15.677 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.805 1.641 3.247) 3.726 1.609 ( 4.508 12.879 5.805) 14.829 1.708 ( 3.077 8.958 3.345) 10.045 1.817 ( 0.694 1.713 -0.126) 1.852 1.909 ( 1.059 4.084 3.298) 5.355 1.921 ( 2.344 7.801 -5.367) 9.755 2.040 ( 2.148 6.492 -2.830) 7.401 2.266 ( 0.771 0.101 1.001) 1.268 2.279 ( 0.039 1.101 0.822) 1.375 4.719 ( -3.198 -2.902 18.787) 19.277 4.989 ( 1.373 6.103 2.406) 6.703 5.116 ( 3.718 7.426 6.467) 10.526 5.343 ( -0.383 -2.611 -2.322) 3.515 5.389 ( -0.107 0.007 -4.988) 4.989 6.532 ( -2.843 -9.352 -0.425) 9.784 6.618 ( -2.754 -5.716 -0.099) 6.346 7.957 ( 2.829 3.044 -19.014) 19.463 12.206 ( -0.836 -1.388 4.032) 4.346 14.172 ( 2.332 4.159 -6.036) 7.692 15.790 ( 0.938 6.665 0.299) 6.738 16.165 ( 2.873 2.680 9.244) 10.044 16.712 ( 8.491 26.678 0.823) 28.009 18.568 ( 2.926 2.146 -0.768) 3.709 18.880 ( -4.971 1.536 -9.931) 11.212 19.137 ( 7.787 5.058 -11.466) 14.755 19.306 ( -8.819 -23.718 11.021) 27.600 20.584 ( 3.434 -12.077 4.273) 13.263 20.934 ( -20.287 3.944 6.965) 21.809 21.504 ( 8.563 14.378 14.373) 22.060 22.806 ( 3.145 -5.659 -21.191) 22.158 23.282 ( 17.976 7.228 -10.500) 22.037 24.027 ( -1.833 28.486 -23.633) 37.059 26.335 ( -1.024 5.946 7.580) 9.687 26.617 ( 6.290 12.151 9.581) 16.703 27.797 ( -10.585 -42.551 37.506) 57.700 28.796 ( -3.490 -4.453 -4.094) 6.984 29.294 ( -9.949 -11.295 -10.979) 18.631 29.384 ( -2.868 -7.205 0.897) 7.807 29.679 ( 5.200 3.434 6.575) 9.059 30.283 ( -3.212 -5.317 -3.443) 7.103 30.376 ( 0.999 -3.008 -4.879) 5.818 32.492 ( 6.168 14.906 -6.469) 17.381 34.071 ( 0.070 3.536 9.236) 9.890 34.996 ( -0.427 -2.820 -8.279) 8.757 36.365 ( -6.078 -15.622 2.151) 16.900 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.188 0.351 1.109) 1.178 1.808 ( 2.812 4.785 2.574) 6.118 1.813 ( 3.863 6.483 2.245) 7.874 1.829 ( -0.101 0.463 -1.266) 1.352 2.009 ( 3.232 5.907 2.111) 7.057 2.019 ( 3.054 6.083 -2.236) 7.165 2.117 ( 1.687 3.154 -0.859) 3.678 2.294 ( 0.856 1.580 0.566) 1.884 2.309 ( 1.883 2.410 0.303) 3.074 4.675 ( -6.072 -4.787 11.883) 14.177 5.083 ( 0.136 5.946 4.897) 7.704 5.250 ( 0.569 0.476 4.390) 4.452 5.310 ( 2.741 -0.837 -4.538) 5.367 5.416 ( 4.550 7.454 -4.269) 9.721 6.370 ( -5.437 -9.915 -0.400) 11.315 6.503 ( -4.110 -6.177 0.271) 7.424 7.996 ( 5.670 4.865 -11.655) 13.844 12.187 ( -1.527 -1.634 2.528) 3.375 14.242 ( 3.748 4.421 -3.851) 6.959 15.872 ( 0.188 7.117 1.714) 7.323 16.274 ( 3.232 1.960 4.650) 5.992 17.101 ( 11.753 19.226 0.411) 22.538 18.633 ( -1.356 -6.999 1.201) 7.229 18.737 ( -1.210 -2.128 -1.510) 2.876 19.039 ( -9.367 -3.016 1.139) 9.906 19.284 ( 10.030 4.614 -10.187) 15.022 20.560 ( 5.279 -13.969 6.531) 16.299 20.659 ( -18.272 1.113 1.992) 18.414 21.806 ( -3.005 21.408 20.050) 29.485 22.756 ( 13.710 -10.421 -25.024) 30.377 23.642 ( 21.291 6.493 -3.257) 22.496 24.132 ( -3.467 24.516 -20.552) 32.179 26.416 ( -1.938 7.527 8.443) 11.475 26.846 ( 5.575 3.710 5.345) 8.568 27.371 ( -13.280 -35.689 31.571) 49.465 28.537 ( -13.521 -14.396 -12.504) 23.375 28.995 ( -6.719 -4.850 -4.663) 9.508 29.307 ( -1.422 -5.047 1.391) 5.425 29.864 ( 4.125 6.102 9.864) 12.311 30.177 ( 0.026 -1.719 -8.821) 8.987 30.369 ( 0.431 0.839 -2.395) 2.574 32.697 ( 7.555 9.733 -5.049) 13.315 34.182 ( 1.171 7.699 11.449) 13.847 34.892 ( -1.510 -6.903 -10.700) 12.823 36.116 ( -8.213 -13.036 2.370) 15.589 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.628 -0.135 0.558) 0.850 1.814 ( -1.150 -0.423 -0.639) 1.382 1.851 ( 0.880 0.681 1.711) 2.041 1.957 ( 3.762 5.342 0.360) 6.544 2.090 ( 0.639 2.895 -0.245) 2.975 2.111 ( 2.081 3.549 0.568) 4.154 2.143 ( 0.973 -0.038 -0.089) 0.977 2.326 ( -0.032 2.895 0.349) 2.917 2.371 ( 2.391 1.640 -0.350) 2.921 4.550 ( -7.857 -6.229 7.500) 12.521 5.115 ( -3.122 1.250 5.029) 6.050 5.207 ( -2.790 -1.957 0.725) 3.484 5.386 ( 4.987 5.022 -5.125) 8.738 5.625 ( 10.025 10.038 -1.121) 14.232 6.172 ( -7.369 -9.341 -0.303) 11.902 6.385 ( -2.829 -6.332 0.714) 6.972 8.115 ( 7.223 5.917 -6.917) 11.620 12.151 ( -1.886 -1.749 1.603) 3.031 14.332 ( 3.782 4.235 -2.715) 6.294 15.936 ( -1.643 5.876 3.874) 7.227 16.324 ( -0.986 1.444 0.396) 1.793 17.449 ( 12.711 11.417 -0.386) 17.090 18.338 ( -12.093 -17.186 2.086) 21.117 18.847 ( 2.758 4.585 -6.083) 8.101 18.973 ( 1.237 4.620 6.981) 8.463 19.453 ( 9.251 7.188 -9.711) 15.217 20.384 ( -15.625 -0.581 -1.521) 15.710 20.544 ( 5.496 -15.620 8.568) 18.644 21.934 ( -17.047 17.921 23.187) 33.903 22.868 ( 25.113 -6.275 -28.578) 38.558 24.010 ( 8.411 17.374 -12.936) 23.237 24.248 ( 10.198 9.539 -0.694) 13.982 26.450 ( -6.796 1.716 8.770) 11.227 26.722 ( -16.244 -21.527 22.634) 35.207 27.119 ( 0.632 -13.708 -6.413) 15.147 28.176 ( -5.725 -6.877 -5.162) 10.331 28.905 ( -4.598 4.256 -0.060) 6.266 29.247 ( -0.046 -5.870 0.119) 5.871 29.910 ( -2.303 -4.970 5.275) 7.604 30.250 ( 6.027 8.567 -3.753) 11.127 30.374 ( -0.008 2.805 -2.846) 3.996 32.870 ( 6.595 7.214 -4.778) 10.880 34.303 ( -5.830 4.803 16.423) 18.077 34.770 ( 5.637 -5.727 -15.267) 17.253 35.900 ( -6.329 -9.130 2.467) 11.379 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -1.791 -0.357 1.327) 2.258 1.781 ( -1.823 -0.973 0.271) 2.084 1.871 ( 0.602 0.102 0.335) 0.696 2.020 ( -1.224 0.949 -0.051) 1.550 2.098 ( -0.602 2.148 0.130) 2.234 2.134 ( -0.377 -0.103 0.449) 0.595 2.170 ( 0.614 0.359 0.026) 0.712 2.337 ( -1.917 2.035 0.382) 2.822 2.395 ( -0.364 0.006 -0.656) 0.750 4.391 ( -7.824 -6.390 7.440) 12.546 5.075 ( -3.213 -1.493 3.231) 4.795 5.158 ( -2.476 -0.486 2.210) 3.354 5.475 ( 0.705 6.504 -4.583) 7.988 5.863 ( 4.833 6.626 -4.108) 9.173 5.982 ( -1.608 -6.025 1.812) 6.494 6.324 ( 2.092 -5.086 1.122) 5.613 8.261 ( 7.052 5.878 -6.488) 11.242 12.112 ( -1.771 -1.654 1.657) 2.936 14.410 ( 2.535 3.635 -3.186) 5.458 15.955 ( -3.727 2.121 5.920) 7.310 16.274 ( -6.240 1.552 -0.864) 6.488 17.658 ( -0.335 2.131 -2.022) 2.957 18.073 ( -0.094 -9.482 4.430) 10.466 18.820 ( -4.190 4.627 -6.776) 9.213 19.174 ( 10.433 1.932 5.763) 12.075 19.625 ( 6.435 10.496 -9.239) 15.392 20.145 ( -10.577 -0.555 -2.506) 10.884 20.518 ( 4.468 -16.323 10.006) 19.660 21.818 ( -20.300 4.362 19.128) 28.231 23.161 ( 23.597 7.349 -27.127) 36.697 24.071 ( -6.605 20.891 -26.121) 34.094 24.701 ( 27.401 1.762 23.517) 36.152 26.115 ( -19.788 -25.592 2.071) 32.416 26.461 ( -13.633 -5.657 15.506) 21.408 26.910 ( -7.200 -6.758 -6.005) 11.557 28.245 ( 14.251 2.327 0.368) 14.445 28.906 ( -2.404 7.943 0.378) 8.307 29.200 ( 1.392 -5.916 -0.229) 6.082 29.828 ( -2.553 -6.123 2.298) 7.021 30.317 ( -3.730 3.351 1.233) 5.164 30.466 ( 6.070 6.793 -5.233) 10.506 33.002 ( 4.078 7.331 -6.485) 10.603 34.144 ( -15.792 -8.640 13.831) 22.700 34.923 ( 16.683 6.063 -12.125) 21.496 35.768 ( -2.262 -6.334 3.551) 7.606 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 0.858 1.791) 1.986 1.712 ( 0.000 11.405 3.630) 11.969 1.770 ( 0.000 5.538 2.194) 5.957 1.825 ( -0.000 1.641 -0.911) 1.877 1.956 ( -0.000 8.063 -3.991) 8.997 1.960 ( 0.000 5.454 3.118) 6.282 2.078 ( -0.000 7.033 -1.933) 7.294 2.262 ( 0.000 -0.118 0.775) 0.784 2.296 ( 0.000 1.938 0.692) 2.058 4.782 ( 0.000 -4.437 11.437) 12.268 5.038 ( 0.000 6.384 0.882) 6.444 5.196 ( 0.000 6.788 7.952) 10.455 5.312 ( -0.000 -3.012 -1.347) 3.299 5.370 ( -0.000 1.938 -5.711) 6.031 6.458 ( -0.000 -10.784 -0.234) 10.786 6.585 ( -0.000 -5.896 -0.321) 5.905 7.899 ( -0.000 4.925 -12.094) 13.058 12.213 ( 0.000 -1.717 2.478) 3.015 14.172 ( -0.000 4.567 -3.466) 5.734 15.829 ( -0.000 5.892 -2.343) 6.341 16.201 ( 0.000 1.339 7.706) 7.821 16.923 ( 0.000 28.285 1.656) 28.334 18.561 ( 0.000 1.643 1.045) 1.948 18.951 ( -0.000 8.099 -11.361) 13.952 18.974 ( -0.000 -14.020 -1.240) 14.074 19.255 ( 0.000 -8.286 4.858) 9.605 20.451 ( 0.000 -12.637 2.355) 12.855 21.339 ( 0.000 3.347 3.486) 4.833 21.371 ( 0.000 8.020 1.319) 8.127 22.764 ( -0.000 0.284 -0.199) 0.347 23.125 ( -0.000 7.197 -8.882) 11.432 24.228 ( -0.000 30.446 -21.161) 37.078 26.384 ( 0.000 2.955 1.128) 3.163 26.773 ( 0.000 16.710 10.748) 19.868 27.633 ( 0.000 -43.321 33.533) 54.783 28.780 ( -0.000 -3.081 -2.215) 3.795 29.079 ( -0.000 -27.176 -18.470) 32.858 29.398 ( 0.000 -3.788 2.386) 4.477 29.745 ( 0.000 12.140 8.285) 14.698 30.266 ( -0.000 -4.996 -7.791) 9.255 30.288 ( 0.000 -3.662 -0.011) 3.662 32.555 ( -0.000 12.942 -3.635) 13.443 34.158 ( 0.000 7.486 7.430) 10.548 34.928 ( -0.000 -5.702 -7.280) 9.247 36.273 ( 0.000 -15.497 1.453) 15.565 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.140 0.149 0.586) 0.621 1.811 ( 0.633 0.642 0.210) 0.926 1.840 ( 0.244 2.439 0.522) 2.507 1.842 ( 2.266 8.155 1.176) 8.545 2.026 ( 1.802 5.635 -1.720) 6.161 2.037 ( 1.331 6.031 1.148) 6.282 2.131 ( 0.288 3.603 -0.737) 3.689 2.279 ( 1.607 0.707 0.392) 1.799 2.326 ( 0.378 3.176 0.598) 3.254 4.737 ( -3.239 -6.581 4.151) 8.428 5.127 ( 3.097 5.712 -0.404) 6.510 5.250 ( 0.311 -1.460 1.821) 2.355 5.275 ( -1.103 -2.185 0.824) 2.583 5.431 ( 2.564 11.450 -1.400) 11.816 6.331 ( -2.458 -11.393 -0.030) 11.655 6.506 ( -2.764 -5.625 -0.336) 6.276 7.942 ( 2.913 6.767 -4.498) 8.632 12.197 ( -0.770 -1.982 0.972) 2.338 14.225 ( 2.161 4.724 -1.137) 5.318 15.895 ( 3.059 5.315 -3.223) 6.928 16.255 ( 2.384 -0.185 5.105) 5.637 17.202 ( 2.393 23.584 1.168) 23.734 18.599 ( 0.389 -2.434 2.570) 3.561 18.725 ( -4.675 -13.784 0.525) 14.565 19.051 ( 4.124 3.498 -8.435) 10.020 19.239 ( -0.557 5.621 1.997) 5.991 20.372 ( 3.727 -13.334 3.066) 14.181 21.000 ( -21.949 0.898 -3.743) 22.284 21.809 ( 25.263 7.765 -3.648) 26.680 22.661 ( -13.450 1.603 7.097) 15.292 23.364 ( 18.588 6.357 2.800) 19.844 24.377 ( -5.092 29.138 -20.551) 36.018 26.442 ( 4.129 1.875 -0.920) 4.627 26.947 ( -2.509 12.615 6.819) 14.558 27.309 ( -7.326 -40.879 28.364) 50.292 28.555 ( -12.665 -15.913 -13.964) 24.670 28.876 ( 6.672 -10.001 -5.552) 13.242 29.337 ( -3.866 -3.073 1.622) 5.198 29.937 ( 2.714 11.367 10.164) 15.487 30.134 ( -3.066 -3.510 -8.282) 9.503 30.315 ( 4.404 -1.884 -1.354) 4.978 32.683 ( 3.620 9.508 -1.079) 10.231 34.288 ( 1.728 11.324 5.183) 12.573 34.809 ( -2.477 -9.654 -5.620) 11.442 36.104 ( -4.408 -12.845 0.810) 13.604 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.008 -0.295 -0.025) 0.296 1.813 ( 0.017 -0.797 -0.722) 1.075 1.858 ( 0.073 0.850 0.881) 1.227 1.958 ( 2.712 5.758 0.224) 6.368 2.091 ( 2.017 2.134 -0.364) 2.959 2.115 ( 1.816 3.738 0.066) 4.157 2.143 ( -0.646 0.839 -0.182) 1.074 2.328 ( 2.674 1.528 -0.005) 3.079 2.365 ( 0.429 2.556 0.439) 2.628 4.605 ( -4.925 -8.089 -0.282) 9.475 5.160 ( -1.158 -2.236 -0.896) 2.673 5.225 ( -0.686 -2.467 -1.273) 2.860 5.331 ( 5.332 6.317 1.787) 8.458 5.612 ( 4.833 12.907 0.725) 13.801 6.169 ( -4.312 -11.028 0.068) 11.841 6.392 ( -4.447 -5.215 -0.280) 6.860 8.065 ( 4.511 7.722 0.015) 8.943 12.163 ( -1.216 -2.107 0.013) 2.433 14.312 ( 3.044 4.549 0.216) 5.477 15.979 ( 2.702 3.687 -2.270) 5.104 16.314 ( 3.078 -0.964 1.942) 3.765 17.442 ( 3.859 16.146 0.506) 16.609 18.354 ( -9.704 -17.706 -0.344) 20.193 18.774 ( 6.999 0.876 4.104) 8.161 19.065 ( -2.848 6.412 -4.737) 8.465 19.377 ( 6.461 9.896 0.165) 11.819 20.338 ( 5.256 -14.016 4.830) 15.729 20.646 ( -18.352 -1.185 -5.800) 19.284 22.260 ( 27.880 -4.055 -23.238) 36.521 22.493 ( -18.062 14.352 25.341) 34.269 23.796 ( 22.476 5.434 12.718) 26.390 24.423 ( -8.975 25.830 -21.027) 34.495 26.490 ( 0.246 -9.085 3.838) 9.866 26.917 ( -8.052 -5.658 -3.948) 10.603 26.948 ( -7.404 -22.523 15.433) 28.289 28.198 ( -7.847 -6.121 -7.928) 12.724 28.913 ( 5.111 -1.676 -1.197) 5.511 29.242 ( -4.616 -3.158 0.821) 5.652 29.942 ( -5.174 -5.379 1.671) 7.649 30.217 ( 7.139 11.668 -0.713) 13.697 30.363 ( 2.767 -0.335 -0.493) 2.830 32.834 ( 5.035 7.478 0.519) 9.030 34.479 ( 6.571 12.439 -0.508) 14.077 34.605 ( -8.037 -12.455 0.022) 14.823 35.917 ( -5.542 -9.136 0.030) 10.685 ======================= Grid point 265 (94/116) ======================= q-point: (-0.20 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.284 -0.492 -0.000) 0.568 1.794 ( -0.827 -1.433 -0.000) 1.655 1.867 ( 0.140 0.242 -0.000) 0.280 2.031 ( 1.309 2.267 -0.000) 2.618 2.126 ( 0.475 0.822 0.000) 0.950 2.129 ( -0.292 -0.505 -0.000) 0.584 2.165 ( 0.804 1.393 -0.000) 1.608 2.380 ( 1.089 1.885 -0.000) 2.177 2.381 ( -0.017 -0.030 0.000) 0.034 4.443 ( -4.745 -8.218 -0.000) 9.490 5.100 ( -1.961 -3.396 -0.000) 3.921 5.189 ( -0.907 -1.570 0.000) 1.813 5.497 ( 4.567 7.911 0.000) 9.135 5.817 ( 5.983 10.363 -0.000) 11.966 5.995 ( -5.114 -8.858 -0.000) 10.228 6.278 ( -2.772 -4.801 -0.000) 5.544 8.214 ( 4.365 7.560 -0.000) 8.730 12.122 ( -1.169 -2.025 -0.000) 2.338 14.399 ( 2.313 4.007 -0.000) 4.627 16.011 ( -0.373 -0.646 0.000) 0.746 16.341 ( -0.025 -0.044 -0.000) 0.051 17.649 ( 5.900 10.220 -0.000) 11.801 18.045 ( -8.346 -14.455 0.000) 16.692 18.874 ( 0.848 1.469 -0.000) 1.696 19.100 ( 2.901 5.024 0.000) 5.801 19.601 ( 7.272 12.595 0.000) 14.544 20.279 ( -5.202 -9.011 0.000) 10.405 20.370 ( -4.047 -7.010 -0.000) 8.095 22.121 ( -9.581 -16.595 -0.000) 19.162 22.869 ( 15.692 27.180 0.000) 31.385 24.253 ( 8.357 14.475 -0.000) 16.714 24.447 ( 6.763 11.713 0.000) 13.525 26.160 ( -16.288 -28.212 -0.000) 32.576 26.605 ( -11.041 -19.123 -0.000) 22.081 26.906 ( 3.157 5.467 -0.000) 6.313 28.133 ( 1.742 3.018 0.000) 3.484 28.987 ( 2.537 4.395 -0.000) 5.075 29.139 ( -3.029 -5.247 -0.000) 6.059 29.826 ( -2.887 -5.000 -0.000) 5.773 30.381 ( -0.170 -0.295 -0.000) 0.341 30.423 ( 5.229 9.056 -0.000) 10.457 32.988 ( 4.538 7.861 -0.000) 9.077 34.310 ( -9.707 -16.814 0.000) 19.415 34.740 ( 8.600 14.895 -0.000) 17.199 35.765 ( -3.704 -6.416 0.000) 7.408 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 -0.388 -0.143) 0.413 1.806 ( -0.000 -0.510 -0.370) 0.631 1.858 ( 0.000 1.367 0.362) 1.415 1.904 ( 0.000 7.565 0.384) 7.575 2.046 ( -0.000 2.698 -0.862) 2.832 2.084 ( 0.000 5.214 0.121) 5.215 2.156 ( -0.000 2.109 -0.538) 2.177 2.271 ( 0.000 0.626 0.247) 0.673 2.356 ( 0.000 3.028 0.708) 3.110 4.691 ( -0.000 -8.762 -3.762) 9.535 5.115 ( -0.000 1.495 -5.460) 5.661 5.228 ( -0.000 -3.595 -0.477) 3.627 5.292 ( 0.000 1.355 4.750) 4.940 5.536 ( 0.000 14.006 2.236) 14.183 6.242 ( 0.000 -11.540 0.060) 11.540 6.479 ( -0.000 -4.382 -0.669) 4.433 7.989 ( 0.000 8.515 2.882) 8.989 12.184 ( -0.000 -2.274 -0.566) 2.343 14.252 ( 0.000 4.747 1.449) 4.963 15.883 ( -0.000 3.537 -6.131) 7.079 16.244 ( 0.000 -2.343 3.949) 4.592 17.415 ( 0.000 21.484 1.084) 21.511 18.574 ( -0.000 -22.791 -1.016) 22.814 18.615 ( 0.000 1.031 5.272) 5.372 19.053 ( -0.000 12.513 -9.481) 15.699 19.320 ( 0.000 5.255 7.387) 9.066 20.230 ( 0.000 -12.011 1.232) 12.074 21.280 ( -0.000 -3.377 -13.968) 14.370 21.435 ( -0.000 1.590 -8.821) 8.964 22.970 ( 0.000 7.224 26.940) 27.892 23.255 ( 0.000 9.205 5.744) 10.850 24.611 ( -0.000 29.369 -20.333) 35.721 26.392 ( -0.000 -0.062 -5.937) 5.937 27.017 ( 0.000 -27.798 14.359) 31.288 27.198 ( 0.000 -4.675 12.488) 13.335 28.436 ( -0.000 -18.168 -16.400) 24.475 28.720 ( -0.000 -1.282 -1.256) 1.794 29.345 ( 0.000 -3.185 0.954) 3.325 30.075 ( 0.000 13.978 4.301) 14.624 30.119 ( -0.000 -5.139 -1.065) 5.248 30.220 ( -0.000 -2.671 -1.295) 2.969 32.741 ( 0.000 7.968 2.503) 8.352 34.366 ( -0.000 7.191 -6.534) 9.716 34.751 ( 0.000 -5.502 5.270) 7.619 36.029 ( -0.000 -10.499 -0.743) 10.526 ======================= Grid point 275 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.215 -1.081 -0.849) 1.391 1.797 ( 0.197 -1.378 -0.533) 1.490 1.868 ( -0.062 0.800 -0.038) 0.803 1.977 ( 1.232 4.932 0.101) 5.084 2.066 ( 1.593 -0.297 -0.406) 1.671 2.126 ( 0.504 2.335 -0.483) 2.437 2.163 ( -0.435 1.131 -0.214) 1.231 2.296 ( 2.078 0.554 -0.006) 2.150 2.383 ( 0.227 1.466 0.721) 1.650 4.554 ( -1.858 -10.051 -8.143) 13.069 5.105 ( 2.055 -2.219 -6.178) 6.879 5.188 ( -0.088 -3.314 -1.471) 3.627 5.353 ( 1.644 4.140 5.929) 7.416 5.696 ( 1.934 13.236 3.389) 13.800 6.119 ( -2.346 -10.201 -0.347) 10.473 6.417 ( -3.105 -2.727 -0.878) 4.224 8.113 ( 1.655 9.323 6.931) 11.735 12.152 ( -0.511 -2.422 -1.581) 2.937 14.323 ( 1.713 4.520 3.120) 5.754 15.915 ( 4.254 1.542 -7.373) 8.651 16.249 ( 2.514 -4.118 2.648) 5.504 17.580 ( -0.827 13.524 0.972) 13.584 18.313 ( -5.918 -16.797 -3.194) 18.094 18.697 ( 5.126 -0.000 6.531) 8.302 19.140 ( -0.352 11.917 -8.303) 14.528 19.427 ( 1.661 7.846 10.390) 13.125 20.159 ( 3.645 -10.916 1.436) 11.597 20.900 ( -19.726 -3.617 -11.471) 23.104 21.685 ( 23.958 -5.601 -19.826) 31.598 23.017 ( -13.969 13.755 30.238) 36.037 23.593 ( 17.670 7.517 18.612) 26.742 24.724 ( -7.339 27.429 -21.873) 35.842 26.378 ( 2.664 -6.180 -5.274) 8.551 26.703 ( -2.597 -34.565 3.151) 34.805 27.123 ( -9.650 -8.067 4.648) 13.409 28.244 ( -4.486 2.867 -7.656) 9.325 28.776 ( 7.017 -0.726 -0.934) 7.116 29.293 ( -3.337 -2.349 0.473) 4.108 29.979 ( -5.811 -5.707 -3.330) 8.799 30.231 ( 4.175 4.865 0.633) 6.442 30.299 ( 5.037 5.555 5.099) 9.068 32.851 ( 2.755 6.740 5.242) 8.972 34.326 ( 2.116 -8.840 -16.386) 18.738 34.784 ( -3.677 9.585 14.744) 17.966 35.907 ( -3.418 -7.386 -2.353) 8.472 ======================= Grid point 285 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.000 -2.460 -1.805) 3.051 1.777 ( -0.000 -1.918 -0.752) 2.060 1.875 ( -0.000 0.662 -0.392) 0.770 1.994 ( 0.000 -1.535 0.098) 1.538 2.048 ( -0.000 1.623 -0.468) 1.689 2.127 ( -0.000 -0.879 -0.792) 1.183 2.175 ( -0.000 0.883 -0.212) 0.908 2.279 ( 0.000 -0.325 0.027) 0.326 2.388 ( 0.000 -0.793 0.768) 1.104 4.418 ( -0.000 -11.119 -12.361) 16.626 5.035 ( -0.000 -2.474 -6.122) 6.603 5.152 ( -0.000 -3.120 -1.186) 3.338 5.396 ( 0.000 2.695 5.386) 6.023 5.801 ( 0.000 5.958 5.715) 8.256 6.067 ( -0.000 -2.483 -1.990) 3.182 6.426 ( -0.000 -0.085 -1.069) 1.072 8.235 ( 0.000 10.026 10.643) 14.622 12.122 ( -0.000 -2.599 -2.657) 3.717 14.369 ( 0.000 4.269 5.181) 6.713 15.841 ( -0.000 -0.425 -9.730) 9.739 16.189 ( 0.000 -6.246 2.354) 6.675 17.660 ( 0.000 -1.846 1.228) 2.217 18.223 ( -0.000 -5.377 -6.243) 8.240 18.686 ( 0.000 0.395 6.534) 6.546 19.236 ( -0.000 14.000 -6.199) 15.311 19.542 ( 0.000 6.593 16.052) 17.354 20.039 ( -0.000 -7.917 -1.138) 7.999 21.031 ( -0.000 -7.067 -15.577) 17.105 21.278 ( -0.000 -4.744 -17.552) 18.182 23.442 ( 0.000 9.809 38.023) 39.268 23.581 ( 0.000 12.074 20.853) 24.096 24.939 ( -0.000 26.020 -23.536) 35.086 26.267 ( -0.000 -4.101 -13.008) 13.639 26.392 ( 0.000 -37.503 0.900) 37.513 27.073 ( 0.000 -21.428 0.677) 21.439 28.354 ( -0.000 18.615 -4.127) 19.067 28.715 ( -0.000 1.673 -0.608) 1.780 29.301 ( 0.000 -1.907 0.008) 1.907 29.965 ( -0.000 -6.989 -3.072) 7.634 30.172 ( -0.000 -0.525 -2.124) 2.188 30.394 ( 0.000 10.432 8.888) 13.705 32.916 ( 0.000 5.327 8.677) 10.182 34.131 ( -0.000 -13.386 -16.478) 21.230 34.994 ( 0.000 14.226 14.425) 20.260 35.865 ( -0.000 -4.375 -4.623) 6.365 ======================= Grid point 342 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -0.000 19.797) 19.797 0.885 ( 0.000 -0.000 19.797) 19.797 1.369 ( 0.000 -0.000 13.248) 13.248 1.742 ( -0.000 0.000 -11.354) 11.354 1.742 ( -0.000 0.000 -11.354) 11.354 1.760 ( 0.000 -0.000 5.467) 5.467 1.947 ( -0.000 0.000 -1.133) 1.133 2.253 ( 0.000 -0.000 1.804) 1.804 2.253 ( 0.000 -0.000 1.804) 1.804 4.587 ( 0.000 -0.000 33.728) 33.728 4.819 ( 0.000 -0.000 0.855) 0.855 4.819 ( 0.000 -0.000 0.855) 0.855 5.427 ( -0.000 0.000 -0.740) 0.740 5.427 ( -0.000 0.000 -0.740) 0.740 6.793 ( -0.000 0.000 -0.266) 0.266 6.793 ( -0.000 0.000 -0.266) 0.266 8.129 ( -0.000 0.000 -32.174) 32.174 12.199 ( 0.000 -0.000 7.421) 7.421 14.118 ( -0.000 0.000 -11.941) 11.941 15.599 ( 0.000 -0.000 1.350) 1.350 15.599 ( 0.000 -0.000 1.350) 1.350 15.911 ( 0.000 -0.000 15.710) 15.710 18.505 ( -0.000 0.000 -4.438) 4.438 18.956 ( -0.000 0.000 -15.230) 15.230 18.956 ( -0.000 0.000 -15.230) 15.230 20.726 ( 0.000 -0.000 18.298) 18.298 20.726 ( 0.000 -0.000 18.298) 18.298 20.938 ( 0.000 -0.000 6.713) 6.713 20.938 ( 0.000 -0.000 6.713) 6.713 22.375 ( -0.000 0.000 -0.426) 0.426 23.308 ( -0.000 0.000 -33.451) 33.451 23.308 ( -0.000 0.000 -33.451) 33.451 26.098 ( 0.000 -0.000 13.485) 13.485 26.098 ( 0.000 -0.000 13.485) 13.485 28.936 ( -0.000 0.000 -3.346) 3.346 28.936 ( -0.000 0.000 -3.346) 3.346 29.489 ( 0.000 -0.000 5.056) 5.056 29.489 ( 0.000 -0.000 5.056) 5.056 30.413 ( 0.000 -0.000 1.357) 1.357 30.413 ( 0.000 -0.000 1.357) 1.357 30.852 ( -0.000 0.000 -6.107) 6.107 31.436 ( 0.000 -0.000 3.655) 3.655 34.050 ( 0.000 -0.000 7.147) 7.147 35.063 ( -0.000 0.000 -5.146) 5.146 36.899 ( 0.000 -0.000 1.190) 1.190 ======================= Grid point 343 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 10.835 6.256 16.007) 20.316 1.129 ( 11.957 6.904 14.580) 20.080 1.433 ( 1.645 0.950 8.038) 8.260 1.730 ( 3.782 2.184 -10.873) 11.717 1.739 ( 3.442 1.988 -8.232) 9.142 1.798 ( 1.416 0.818 4.209) 4.516 1.944 ( 0.425 0.246 -1.396) 1.480 2.260 ( 0.085 0.049 1.467) 1.470 2.261 ( 0.024 0.014 1.397) 1.398 4.698 ( -2.934 -1.694 29.634) 29.827 4.837 ( 1.572 0.907 1.175) 2.162 4.885 ( 4.830 2.789 3.607) 6.642 5.414 ( -0.864 -0.499 -0.961) 1.385 5.423 ( -0.195 -0.113 -1.735) 1.749 6.758 ( -3.352 -1.936 -0.466) 3.899 6.761 ( -2.684 -1.550 -0.092) 3.101 7.999 ( 1.455 0.840 -29.902) 29.949 12.221 ( -0.852 -0.492 6.399) 6.474 14.093 ( 2.277 1.315 -9.888) 10.232 15.616 ( 1.222 0.705 1.830) 2.311 15.855 ( 20.549 11.864 -0.414) 23.731 16.010 ( 2.975 1.717 12.958) 13.406 18.503 ( 1.692 0.977 -3.780) 4.255 18.878 ( -0.766 -0.442 -12.712) 12.743 18.981 ( 7.178 4.144 -14.736) 16.907 20.356 ( -32.949 -19.023 18.256) 42.200 20.708 ( -6.062 -3.500 16.856) 18.251 20.965 ( 0.057 0.033 6.185) 6.186 21.006 ( 2.130 1.230 8.892) 9.226 22.823 ( 31.243 18.038 -5.972) 36.568 23.107 ( 1.183 0.683 -28.143) 28.176 23.321 ( 8.018 4.629 -33.179) 34.447 26.132 ( -0.598 -0.345 12.808) 12.827 26.264 ( 8.396 4.847 9.789) 13.777 28.869 ( -10.152 -5.861 5.396) 12.905 28.892 ( -2.261 -1.305 -2.446) 3.577 29.323 ( -13.769 -7.949 14.537) 21.543 29.497 ( -1.379 -0.796 4.111) 4.408 30.090 ( -16.413 -9.476 -0.304) 18.954 30.392 ( -2.222 -1.283 1.362) 2.905 30.711 ( -10.256 -5.922 -6.865) 13.689 31.831 ( 24.217 13.982 -5.325) 28.466 34.054 ( -2.112 -1.220 7.239) 7.639 35.044 ( 0.346 0.200 -5.366) 5.381 36.803 ( -8.816 -5.090 1.633) 10.310 ======================= Grid point 344 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 3.974 2.294 5.302) 7.012 1.429 ( 12.763 7.369 9.931) 17.771 1.575 ( 9.651 5.572 5.725) 12.528 1.790 ( 2.769 1.598 -2.118) 3.835 1.805 ( 6.886 3.976 -7.876) 11.192 1.863 ( 2.709 1.564 3.369) 4.598 1.970 ( 3.661 2.114 -3.046) 5.210 2.266 ( -0.063 -0.036 0.918) 0.921 2.272 ( 0.544 0.314 1.001) 1.181 4.734 ( -4.609 -2.661 22.313) 22.939 4.896 ( 3.030 1.749 2.171) 4.117 5.045 ( 7.548 4.358 5.710) 10.420 5.384 ( -1.228 -0.709 -1.763) 2.263 5.394 ( -1.383 -0.798 -3.221) 3.595 6.644 ( -6.747 -3.896 -0.777) 7.830 6.680 ( -4.625 -2.671 0.219) 5.346 7.938 ( 4.311 2.489 -23.707) 24.224 12.220 ( -1.560 -0.900 4.914) 5.234 14.126 ( 4.253 2.456 -7.509) 8.972 15.664 ( 2.080 1.201 3.046) 3.878 16.143 ( 4.313 2.490 8.679) 10.006 16.383 ( 26.388 15.235 -0.378) 30.473 18.553 ( 4.253 2.455 -1.880) 5.258 18.809 ( -0.795 -0.459 -9.678) 9.721 19.093 ( 7.884 4.552 -14.784) 17.363 19.724 ( -29.566 -17.070 13.879) 36.854 20.605 ( -8.692 -5.018 9.935) 14.122 21.009 ( 0.115 0.066 11.306) 11.307 21.103 ( 2.478 1.431 10.508) 10.891 23.095 ( 7.801 4.504 -21.755) 23.547 23.351 ( 8.702 5.024 -34.150) 35.597 23.432 ( 26.062 15.047 -5.564) 30.603 26.183 ( -0.072 -0.042 12.273) 12.273 26.543 ( 13.656 7.884 5.991) 16.868 28.444 ( -32.874 -18.980 30.297) 48.568 28.822 ( -3.183 -1.838 -1.344) 3.914 29.188 ( -6.888 -3.977 0.310) 7.960 29.469 ( -2.610 -1.507 2.781) 4.101 29.809 ( -7.443 -4.297 -5.069) 9.978 30.334 ( -3.579 -2.067 1.507) 4.399 30.449 ( -8.660 -5.000 -7.352) 12.411 32.274 ( 18.998 10.968 -7.167) 23.078 34.048 ( -0.982 -0.567 7.970) 8.050 35.022 ( -0.107 -0.062 -6.589) 6.590 36.559 ( -13.759 -7.944 2.092) 16.024 ======================= Grid point 345 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.400 0.231 1.402) 1.476 1.710 ( 9.969 5.755 3.996) 12.185 1.773 ( 4.808 2.776 2.958) 6.291 1.822 ( 0.825 0.477 -1.491) 1.769 1.939 ( 7.013 4.049 -3.135) 8.684 1.952 ( 4.802 2.772 3.862) 6.757 2.076 ( 5.658 3.267 -1.830) 6.785 2.267 ( -0.037 -0.021 0.402) 0.404 2.301 ( 2.173 1.254 0.320) 2.529 4.694 ( -7.316 -4.224 16.656) 18.676 4.978 ( 2.826 1.632 4.006) 5.167 5.236 ( 4.607 2.660 5.698) 7.795 5.355 ( -0.086 -0.050 -3.361) 3.363 5.363 ( 3.528 2.037 -5.822) 7.106 6.464 ( -9.288 -5.362 -0.703) 10.748 6.571 ( -5.352 -3.090 0.593) 6.208 7.974 ( 7.194 4.154 -16.309) 18.303 12.199 ( -2.133 -1.232 3.451) 4.240 14.202 ( 5.256 3.034 -5.508) 8.196 15.728 ( 2.099 1.212 4.759) 5.340 16.252 ( 2.626 1.516 3.670) 4.760 16.945 ( 24.485 14.136 0.281) 28.274 18.678 ( 7.454 4.304 -1.674) 8.769 18.763 ( 0.088 0.051 -3.768) 3.770 18.998 ( -18.259 -10.542 -0.078) 21.084 19.385 ( 1.200 0.693 -6.450) 6.597 20.433 ( -9.968 -5.755 4.930) 12.522 21.057 ( -1.310 -0.756 14.170) 14.251 21.197 ( 1.005 0.580 13.410) 13.460 23.226 ( 11.909 6.876 -17.958) 22.619 23.387 ( 9.092 5.249 -35.752) 37.261 23.923 ( 20.974 12.110 1.143) 24.246 26.234 ( -0.463 -0.267 12.141) 12.153 26.885 ( 14.906 8.606 2.341) 17.371 27.834 ( -34.383 -19.851 29.069) 49.206 28.751 ( -2.790 -1.611 -0.246) 3.231 28.810 ( -23.841 -13.764 -8.801) 28.901 29.414 ( -3.148 -1.817 1.336) 3.872 29.821 ( 7.171 4.140 2.837) 8.753 30.259 ( -3.751 -2.166 1.750) 4.671 30.297 ( -2.301 -1.328 -9.605) 9.966 32.597 ( 13.585 7.843 -6.623) 17.027 34.102 ( 2.137 1.234 10.567) 10.851 34.968 ( -1.678 -0.969 -9.224) 9.426 36.257 ( -14.116 -8.150 2.594) 16.505 ======================= Grid point 346 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.754 -0.435 0.722) 1.131 1.805 ( -0.962 -0.556 0.157) 1.122 1.849 ( 1.400 0.808 1.412) 2.146 1.901 ( 6.791 3.921 0.728) 7.875 2.041 ( 2.258 1.304 -0.192) 2.614 2.076 ( 4.487 2.590 1.145) 5.306 2.152 ( 1.746 1.008 -0.007) 2.016 2.272 ( 0.505 0.291 -0.002) 0.583 2.364 ( 2.869 1.657 -0.489) 3.349 4.574 ( -9.428 -5.443 12.571) 16.629 5.034 ( 0.011 0.007 5.890) 5.890 5.217 ( -3.473 -2.005 0.986) 4.130 5.361 ( 2.467 1.424 -5.109) 5.850 5.573 ( 13.171 7.604 -2.891) 15.481 6.244 ( -10.378 -5.992 -0.212) 11.985 6.468 ( -3.957 -2.284 0.933) 4.663 8.090 ( 8.811 5.087 -11.341) 15.236 12.162 ( -2.414 -1.394 2.563) 3.787 14.294 ( 5.032 2.905 -4.568) 7.391 15.793 ( 1.238 0.715 6.980) 7.125 16.274 ( -1.444 -0.834 -0.498) 1.740 17.422 ( 18.637 10.760 -0.051) 21.520 18.541 ( -21.378 -12.343 3.842) 24.983 18.710 ( 0.537 0.310 -8.122) 8.145 18.933 ( 11.396 6.580 7.781) 15.287 19.465 ( 7.282 4.205 -13.634) 16.019 20.228 ( -9.982 -5.763 1.669) 11.646 21.070 ( -3.723 -2.149 15.069) 15.670 21.261 ( -1.421 -0.820 16.178) 16.261 23.417 ( 12.425 7.173 -18.088) 23.087 23.420 ( 9.101 5.254 -37.206) 38.662 24.394 ( 20.523 11.849 11.445) 26.317 26.267 ( -1.747 -1.008 12.451) 12.614 27.004 ( -19.224 -11.099 13.611) 26.039 27.344 ( -8.542 -4.932 -3.359) 10.420 28.297 ( -15.264 -8.813 1.005) 17.654 28.708 ( -1.023 -0.591 0.538) 1.298 29.351 ( -2.815 -1.625 0.220) 3.257 29.993 ( 3.113 1.798 6.914) 7.793 30.197 ( -2.567 -1.482 1.992) 3.571 30.262 ( 4.959 2.863 -12.390) 13.649 32.807 ( 8.712 5.030 -7.108) 12.317 34.200 ( -0.694 -0.401 15.477) 15.498 34.895 ( 1.676 0.968 -13.538) 13.675 36.002 ( -10.064 -5.811 3.258) 12.069 ======================= Grid point 353 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 11.426 15.227) 19.037 1.185 ( 0.000 11.534 14.725) 18.704 1.463 ( 0.000 1.825 5.331) 5.635 1.688 ( -0.000 5.409 -11.668) 12.861 1.689 ( -0.000 5.539 -10.267) 11.666 1.821 ( 0.000 0.868 5.456) 5.525 1.939 ( -0.000 0.363 -1.125) 1.182 2.265 ( 0.000 -0.118 1.207) 1.213 2.268 ( 0.000 0.123 1.090) 1.097 4.812 ( 0.000 -1.483 14.846) 14.920 4.853 ( 0.000 2.656 0.652) 2.735 4.911 ( 0.000 3.209 16.137) 16.453 5.407 ( -0.000 -1.382 -0.738) 1.567 5.418 ( -0.000 -0.509 -1.461) 1.547 6.751 ( -0.000 -4.139 -0.254) 4.147 6.767 ( -0.000 -2.736 -0.283) 2.750 7.864 ( -0.000 1.735 -27.492) 27.547 12.248 ( 0.000 -0.938 5.302) 5.384 14.051 ( -0.000 2.499 -8.001) 8.382 15.642 ( 0.000 3.097 0.757) 3.188 15.841 ( 0.000 22.742 0.231) 22.743 16.059 ( 0.000 2.422 11.118) 11.379 18.485 ( -0.000 1.686 -3.242) 3.654 18.854 ( -0.000 1.208 -11.199) 11.264 18.890 ( -0.000 5.454 -10.922) 12.208 20.371 ( 0.000 -38.648 17.833) 42.564 20.813 ( 0.000 -6.281 5.763) 8.525 21.046 ( 0.000 5.654 4.600) 7.289 21.089 ( 0.000 5.973 13.452) 14.718 22.697 ( -0.000 21.886 -4.883) 22.424 22.921 ( -0.000 -5.045 -22.650) 23.205 23.280 ( -0.000 20.543 -28.462) 35.101 26.241 ( 0.000 2.800 7.498) 8.004 26.249 ( 0.000 6.452 10.579) 12.391 28.835 ( 0.000 -12.807 5.526) 13.948 28.898 ( -0.000 -1.664 -2.729) 3.196 29.430 ( 0.000 -7.704 10.150) 12.742 29.508 ( 0.000 -2.099 3.769) 4.314 30.078 ( -0.000 -22.683 -0.265) 22.684 30.407 ( 0.000 -1.984 0.879) 2.170 30.682 ( -0.000 -12.277 -5.564) 13.479 31.810 ( -0.000 26.217 -3.869) 26.501 34.084 ( 0.000 -2.278 6.499) 6.887 35.020 ( -0.000 0.114 -4.844) 4.845 36.812 ( 0.000 -9.768 1.258) 9.848 ======================= Grid point 354 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 3.220 4.618 6.447) 8.559 1.410 ( 6.297 11.347 10.724) 16.835 1.550 ( 4.266 7.586 5.444) 10.265 1.731 ( 3.841 7.716 -9.001) 12.463 1.745 ( 3.527 5.883 -6.618) 9.531 1.865 ( 1.413 2.211 4.084) 4.854 1.945 ( 0.821 1.570 -1.613) 2.396 2.270 ( 0.227 -0.041 0.854) 0.885 2.273 ( -0.063 0.176 0.717) 0.741 4.847 ( -1.589 -1.417 12.121) 12.307 4.898 ( 1.406 4.123 1.321) 4.552 5.034 ( 2.896 3.619 12.026) 12.888 5.381 ( -0.820 -2.009 -1.035) 2.404 5.394 ( -0.937 -1.341 -2.135) 2.690 6.675 ( -3.202 -6.032 -0.514) 6.848 6.710 ( -2.714 -3.935 -0.093) 4.781 7.801 ( 2.950 3.516 -20.698) 21.201 12.251 ( -0.914 -1.316 3.845) 4.166 14.069 ( 2.410 3.599 -5.704) 7.162 15.686 ( 0.758 4.576 1.102) 4.768 16.148 ( 2.822 3.385 7.852) 9.005 16.216 ( 14.848 24.291 -0.167) 28.470 18.513 ( 2.478 2.793 -1.627) 4.073 18.796 ( -1.923 1.364 -8.191) 8.523 18.968 ( 6.282 6.453 -9.864) 13.357 19.932 ( -16.897 -33.516 12.100) 39.437 20.791 ( -1.270 -5.554 6.923) 8.966 20.919 ( -9.489 -1.922 4.285) 10.587 21.298 ( 2.088 13.654 10.975) 17.642 22.815 ( 6.399 -4.980 -18.340) 20.052 23.066 ( 19.642 10.596 -6.968) 23.380 23.404 ( 2.208 27.094 -20.994) 34.347 26.271 ( -1.724 4.116 7.817) 9.001 26.454 ( 8.750 8.599 5.734) 13.542 28.639 ( -9.445 -27.270 18.466) 34.261 28.849 ( -2.538 -2.772 -2.370) 4.444 29.333 ( -9.157 -1.929 6.394) 11.334 29.495 ( -1.444 -2.757 1.651) 3.523 29.808 ( -5.071 -13.792 -5.610) 15.729 30.368 ( -2.393 -2.910 0.696) 3.831 30.477 ( -5.961 -10.717 -4.956) 13.227 32.131 ( 11.569 19.648 -4.915) 23.324 34.087 ( -0.610 -0.883 6.053) 6.147 34.996 ( -0.231 -0.641 -4.867) 4.915 36.646 ( -7.453 -12.486 1.326) 14.601 ======================= Grid point 355 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.545 0.512 1.247) 1.454 1.657 ( 7.244 8.648 4.562) 12.169 1.737 ( 5.442 6.092 2.592) 8.570 1.806 ( 1.415 1.704 -1.579) 2.720 1.867 ( 6.389 8.014 -3.859) 10.952 1.941 ( 2.242 2.665 3.595) 5.005 2.016 ( 5.137 5.793 -2.325) 8.084 2.275 ( -0.225 0.533 0.336) 0.669 2.285 ( 1.157 0.590 0.381) 1.353 4.822 ( -5.047 -4.379 11.287) 13.116 4.986 ( 2.397 5.403 2.656) 6.480 5.195 ( 6.756 6.061 4.740) 10.240 5.333 ( -1.568 -2.489 -2.079) 3.602 5.350 ( -1.001 -1.016 -3.082) 3.396 6.531 ( -6.356 -7.248 -0.609) 9.659 6.612 ( -4.090 -4.891 0.313) 6.383 7.841 ( 5.887 5.273 -12.634) 14.903 12.230 ( -1.616 -1.611 2.422) 3.327 14.139 ( 3.999 4.287 -3.708) 6.937 15.758 ( 1.096 5.526 2.501) 6.163 16.247 ( 2.529 2.647 3.567) 5.112 16.727 ( 20.109 20.154 -0.160) 28.471 18.609 ( 5.472 4.579 -0.546) 7.156 18.747 ( -1.276 -0.459 -3.989) 4.214 19.078 ( 1.742 4.919 -6.955) 8.695 19.412 ( -14.605 -21.598 4.015) 26.380 20.634 ( -14.866 0.465 2.734) 15.123 20.877 ( 7.707 -14.702 7.731) 18.312 21.498 ( -4.055 19.512 13.915) 24.306 22.829 ( 13.286 -8.532 -19.082) 24.768 23.360 ( 6.546 17.969 -17.162) 25.696 23.709 ( 16.145 15.714 -2.342) 22.651 26.327 ( -1.440 5.064 7.819) 9.426 26.732 ( 12.814 8.352 1.499) 15.369 28.172 ( -22.970 -32.539 21.204) 45.122 28.726 ( -5.524 -8.836 -4.105) 11.200 29.077 ( -17.757 -6.286 -2.514) 19.004 29.417 ( -1.369 -5.652 0.068) 5.815 29.768 ( 5.484 4.894 1.501) 7.502 30.245 ( -3.980 -7.281 -3.994) 9.209 30.349 ( -3.135 0.077 -1.076) 3.315 32.458 ( 11.646 12.841 -4.114) 17.817 34.127 ( 1.718 2.656 6.387) 7.128 34.944 ( -1.717 -2.814 -5.585) 6.485 36.375 ( -10.939 -12.681 1.459) 16.811 ======================= Grid point 356 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.238 -0.014 0.407) 0.472 1.813 ( -0.330 0.269 -0.477) 0.639 1.838 ( 2.019 1.592 1.120) 2.804 1.846 ( 5.956 6.131 0.679) 8.574 2.015 ( 4.153 4.822 -0.235) 6.368 2.039 ( 4.227 3.976 0.910) 5.874 2.126 ( 2.911 2.207 -0.090) 3.654 2.281 ( -0.186 1.584 0.027) 1.595 2.332 ( 2.845 1.984 -0.284) 3.480 4.709 ( -7.503 -6.319 8.094) 12.718 5.080 ( 0.283 4.492 5.191) 6.871 5.255 ( -3.118 -2.549 0.722) 4.092 5.317 ( 1.650 0.139 -4.415) 4.715 5.439 ( 10.720 8.675 -1.882) 13.918 6.334 ( -8.563 -7.827 -0.381) 11.607 6.499 ( -3.757 -5.138 0.646) 6.398 7.963 ( 7.445 6.211 -7.451) 12.228 12.193 ( -1.970 -1.753 1.533) 3.050 14.236 ( 4.221 4.346 -2.688) 6.627 15.841 ( 0.471 5.571 4.649) 7.271 16.293 ( -0.569 1.578 -0.530) 1.760 17.213 ( 19.459 13.602 -0.375) 23.745 18.642 ( -6.520 -9.342 -2.301) 11.622 18.737 ( -0.758 -0.640 -2.591) 2.774 18.935 ( -4.206 3.520 8.082) 9.767 19.320 ( 7.648 1.780 -9.126) 12.039 20.396 ( -14.074 -1.673 -0.048) 14.173 20.900 ( 8.219 -17.421 9.933) 21.673 21.642 ( -11.249 21.610 17.585) 30.046 22.905 ( 18.390 -9.720 -24.396) 32.059 23.509 ( -0.935 22.628 -18.911) 29.505 24.164 ( 23.593 7.768 10.548) 26.986 26.379 ( -2.960 5.367 8.167) 10.211 26.995 ( 10.369 0.856 0.038) 10.404 27.519 ( -26.802 -27.292 1.788) 38.293 28.411 ( -12.243 -18.329 2.426) 22.175 28.831 ( -9.702 3.807 1.343) 10.508 29.350 ( -0.933 -4.968 -0.315) 5.064 29.971 ( 6.431 6.422 6.937) 11.433 30.127 ( 1.120 -3.888 -8.724) 9.617 30.307 ( -3.763 3.199 -0.514) 4.966 32.703 ( 8.360 8.163 -3.921) 12.324 34.254 ( 3.783 5.593 9.391) 11.566 34.832 ( -2.679 -5.486 -8.258) 10.270 36.098 ( -9.602 -10.302 1.626) 14.177 ======================= Grid point 364 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.000 2.181 3.219) 3.888 1.516 ( 0.000 11.588 7.931) 14.043 1.623 ( 0.000 9.675 4.847) 10.821 1.747 ( -0.000 10.531 -7.767) 13.086 1.753 ( -0.000 7.091 -4.438) 8.365 1.896 ( 0.000 3.793 3.110) 4.905 1.950 ( -0.000 2.609 -1.661) 3.093 2.270 ( 0.000 -0.239 0.634) 0.677 2.279 ( 0.000 0.426 0.460) 0.627 4.891 ( 0.000 -0.596 6.546) 6.573 4.930 ( 0.000 5.030 0.096) 5.031 5.102 ( 0.000 3.571 10.474) 11.066 5.362 ( -0.000 -2.631 -0.503) 2.679 5.376 ( -0.000 -2.225 -2.043) 3.020 6.634 ( -0.000 -7.875 -0.298) 7.881 6.689 ( -0.000 -5.039 -0.351) 5.051 7.739 ( -0.000 5.421 -13.244) 14.311 12.258 ( 0.000 -1.739 2.361) 2.932 14.067 ( -0.000 4.583 -3.361) 5.683 15.719 ( -0.000 4.784 -0.916) 4.871 16.189 ( 0.000 2.884 5.861) 6.532 16.366 ( 0.000 30.511 0.769) 30.520 18.516 ( 0.000 3.261 0.095) 3.262 18.803 ( -0.000 2.844 -8.431) 8.898 18.942 ( -0.000 6.774 -4.128) 7.933 19.783 ( 0.000 -35.342 9.371) 36.564 20.681 ( 0.000 -10.700 1.961) 10.878 21.219 ( 0.000 8.412 1.869) 8.618 21.276 ( 0.000 4.586 1.363) 4.784 22.761 ( 0.000 0.178 0.598) 0.624 22.919 ( -0.000 10.256 -6.892) 12.357 23.578 ( -0.000 29.977 -17.032) 34.478 26.334 ( 0.000 2.736 1.176) 2.978 26.523 ( 0.000 13.582 7.508) 15.519 28.519 ( 0.000 -32.840 20.201) 38.555 28.830 ( -0.000 -3.077 -1.926) 3.631 29.390 ( -0.000 -9.467 -6.831) 11.674 29.480 ( 0.000 -3.561 2.078) 4.123 29.689 ( 0.000 -9.287 0.114) 9.288 30.358 ( 0.000 -3.556 0.004) 3.556 30.391 ( -0.000 -11.691 -3.616) 12.237 32.220 ( -0.000 20.699 -3.169) 20.940 34.112 ( 0.000 0.701 4.426) 4.481 34.969 ( -0.000 -1.768 -3.685) 4.087 36.578 ( 0.000 -15.307 0.751) 15.325 ======================= Grid point 365 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.263 0.560 0.781) 0.996 1.673 ( 3.529 9.637 2.635) 10.596 1.745 ( 2.496 7.085 1.654) 7.692 1.801 ( 0.846 2.582 -1.068) 2.920 1.857 ( 3.574 10.565 -2.861) 11.515 1.955 ( 0.960 2.963 2.021) 3.713 2.007 ( 2.648 7.966 -1.534) 8.533 2.275 ( 0.652 0.021 0.332) 0.732 2.286 ( -0.037 1.114 0.234) 1.139 4.873 ( -2.460 -4.861 3.672) 6.570 5.006 ( 2.829 6.230 -0.114) 6.843 5.203 ( 2.404 7.462 4.289) 8.937 5.327 ( -1.056 -2.788 0.173) 2.986 5.335 ( -0.712 -2.454 -2.506) 3.579 6.527 ( -2.959 -9.191 -0.140) 9.657 6.615 ( -2.465 -5.773 -0.242) 6.282 7.785 ( 3.029 7.183 -4.897) 9.206 12.240 ( -0.813 -2.053 0.922) 2.393 14.122 ( 2.171 5.230 -1.223) 5.794 15.784 ( 2.670 5.276 -1.206) 6.035 16.251 ( 1.749 2.446 3.114) 4.328 16.722 ( 7.897 27.344 0.589) 28.468 18.581 ( 3.232 3.974 2.427) 5.668 18.768 ( -3.060 2.096 -5.921) 6.987 19.042 ( 5.658 5.890 -2.181) 8.453 19.413 ( -10.699 -26.760 4.111) 29.111 20.633 ( 5.875 -12.750 2.396) 14.241 20.956 ( -19.774 1.917 -2.942) 20.083 21.611 ( 16.009 11.648 -0.660) 19.809 22.670 ( -7.711 -0.175 2.185) 8.017 23.220 ( 18.883 9.972 2.320) 21.480 23.780 ( -0.600 26.785 -12.103) 29.399 26.383 ( 2.663 3.406 -0.394) 4.342 26.712 ( 2.844 13.765 4.346) 14.712 28.189 ( -10.362 -38.457 17.868) 43.653 28.733 ( -6.904 -7.428 -4.703) 11.178 29.130 ( -3.808 -18.468 -10.054) 21.369 29.408 ( -4.021 -3.820 1.450) 5.733 29.755 ( 4.698 8.344 3.741) 10.281 30.228 ( -4.661 -8.208 -2.304) 9.716 30.349 ( 1.415 -2.424 -0.584) 2.867 32.438 ( 5.728 15.766 -1.291) 16.824 34.156 ( 1.159 4.388 2.447) 5.156 34.919 ( -1.416 -4.181 -2.296) 4.975 36.383 ( -5.718 -15.497 0.384) 16.523 ======================= Grid point 366 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.051 0.089 -0.000) 0.103 1.817 ( 0.170 0.295 -0.000) 0.341 1.828 ( 4.471 7.743 -0.000) 8.941 1.830 ( 1.536 2.661 0.000) 3.073 2.002 ( 3.951 6.843 -0.000) 7.901 2.025 ( 2.792 4.836 -0.000) 5.584 2.110 ( 2.114 3.661 -0.000) 4.227 2.298 ( 0.876 1.518 -0.000) 1.753 2.311 ( 1.443 2.499 -0.000) 2.885 4.760 ( -4.495 -7.786 -0.000) 8.991 5.125 ( 3.529 6.112 -0.000) 7.058 5.270 ( -1.259 -2.181 0.000) 2.518 5.282 ( -0.933 -1.616 -0.000) 1.866 5.388 ( 5.973 10.345 -0.000) 11.945 6.367 ( -5.594 -9.690 -0.000) 11.189 6.505 ( -3.659 -6.337 -0.000) 7.317 7.912 ( 4.623 8.007 -0.000) 9.246 12.205 ( -1.270 -2.199 -0.000) 2.539 14.215 ( 3.104 5.377 -0.000) 6.209 15.883 ( 3.196 5.536 -0.000) 6.393 16.307 ( 1.174 2.034 -0.000) 2.349 17.104 ( 11.229 19.449 -0.000) 22.458 18.651 ( -6.089 -10.547 -0.000) 12.178 18.710 ( 3.684 6.381 0.000) 7.368 19.067 ( -6.176 -10.697 -0.000) 12.351 19.202 ( 4.988 8.640 -0.000) 9.977 20.627 ( -3.681 -6.375 -0.000) 7.361 20.650 ( -5.488 -9.506 0.000) 10.977 21.983 ( 11.319 19.604 -0.000) 22.637 22.550 ( -3.804 -6.589 -0.000) 7.608 23.627 ( 10.318 17.871 -0.000) 20.636 23.980 ( 8.277 14.336 -0.000) 16.554 26.473 ( 2.897 5.017 -0.000) 5.793 26.880 ( 3.708 6.422 -0.000) 7.415 27.619 ( -20.669 -35.800 0.000) 41.338 28.421 ( -10.304 -17.846 -0.000) 20.607 28.963 ( -2.524 -4.371 -0.000) 5.048 29.317 ( -2.577 -4.463 -0.000) 5.154 29.972 ( 7.465 12.930 -0.000) 14.930 30.072 ( -4.341 -7.518 -0.000) 8.681 30.357 ( 0.370 0.641 -0.000) 0.740 32.662 ( 6.210 10.755 -0.000) 12.419 34.271 ( 4.995 8.651 0.000) 9.990 34.809 ( -4.769 -8.260 -0.000) 9.537 36.132 ( -7.596 -13.157 -0.000) 15.192 ======================= Grid point 376 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 0.211 0.097) 0.232 1.741 ( -0.000 9.506 0.035) 9.506 1.790 ( 0.000 4.459 0.556) 4.494 1.814 ( -0.000 2.210 -0.492) 2.264 1.919 ( -0.000 9.841 -0.744) 9.869 1.983 ( -0.000 4.234 -0.210) 4.239 2.062 ( -0.000 7.933 -0.128) 7.934 2.269 ( 0.000 -0.175 0.192) 0.260 2.302 ( 0.000 2.121 0.214) 2.132 4.836 ( -0.000 -7.652 -3.536) 8.430 5.025 ( -0.000 5.205 -2.594) 5.816 5.289 ( 0.000 8.456 4.999) 9.823 5.304 ( -0.000 -0.717 -3.800) 3.867 5.317 ( 0.000 -1.926 1.893) 2.700 6.457 ( 0.000 -10.627 0.243) 10.630 6.579 ( -0.000 -5.973 -0.560) 5.999 7.834 ( 0.000 8.859 3.145) 9.400 12.227 ( -0.000 -2.409 -0.559) 2.473 14.156 ( 0.000 5.746 1.165) 5.862 15.787 ( -0.000 4.147 -3.756) 5.595 16.266 ( 0.000 1.425 1.829) 2.319 16.941 ( 0.000 28.502 0.887) 28.515 18.606 ( 0.000 3.238 5.438) 6.329 18.816 ( -0.000 6.946 -8.169) 10.722 18.972 ( 0.000 -11.483 1.666) 11.603 19.325 ( 0.000 -10.596 4.283) 11.429 20.466 ( -0.000 -12.369 -0.291) 12.372 21.255 ( -0.000 -0.491 -13.103) 13.112 21.336 ( -0.000 4.889 -6.571) 8.191 22.956 ( 0.000 6.878 25.707) 26.611 23.083 ( 0.000 10.812 3.257) 11.292 24.006 ( -0.000 27.856 -11.247) 30.041 26.354 ( -0.000 1.176 -5.520) 5.644 26.874 ( 0.000 16.952 4.081) 17.436 27.963 ( 0.000 -41.477 11.266) 42.980 28.757 ( -0.000 -2.976 -1.112) 3.177 28.836 ( -0.000 -28.054 -13.695) 31.218 29.419 ( 0.000 -3.966 0.625) 4.015 29.828 ( 0.000 12.377 2.841) 12.699 30.215 ( 0.000 -5.760 1.229) 5.890 30.279 ( -0.000 -4.008 -1.129) 4.164 32.541 ( 0.000 14.475 1.560) 14.558 34.197 ( -0.000 6.383 -2.389) 6.815 34.886 ( 0.000 -5.334 1.804) 5.631 36.279 ( -0.000 -15.666 -0.605) 15.678 ======================= Grid point 457 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 -0.000 17.892) 17.892 1.142 ( 0.000 -0.000 17.892) 17.892 1.474 ( 0.000 -0.000 3.773) 3.773 1.573 ( -0.000 0.000 -13.602) 13.602 1.573 ( -0.000 0.000 -13.602) 13.602 1.838 ( 0.000 -0.000 4.755) 4.755 1.933 ( -0.000 0.000 -0.745) 0.745 2.271 ( 0.000 -0.000 0.890) 0.890 2.271 ( 0.000 -0.000 0.890) 0.890 4.828 ( 0.000 -0.000 0.500) 0.500 4.828 ( 0.000 -0.000 0.500) 0.500 5.017 ( 0.000 -0.000 26.634) 26.634 5.419 ( -0.000 0.000 -0.446) 0.446 5.419 ( -0.000 0.000 -0.446) 0.446 6.791 ( -0.000 0.000 -0.152) 0.152 6.791 ( -0.000 0.000 -0.152) 0.152 7.724 ( -0.000 0.000 -24.925) 24.925 12.280 ( 0.000 -0.000 4.216) 4.216 13.993 ( -0.000 0.000 -6.327) 6.327 15.614 ( 0.000 -0.000 0.801) 0.801 15.614 ( 0.000 -0.000 0.801) 0.801 16.081 ( 0.000 -0.000 8.878) 8.878 18.453 ( -0.000 0.000 -2.964) 2.964 18.796 ( -0.000 0.000 -8.089) 8.089 18.796 ( -0.000 0.000 -8.089) 8.089 20.941 ( 0.000 -0.000 12.247) 12.247 20.941 ( 0.000 -0.000 12.247) 12.247 21.016 ( 0.000 -0.000 4.509) 4.509 21.016 ( 0.000 -0.000 4.509) 4.509 22.370 ( -0.000 0.000 -0.280) 0.280 22.922 ( -0.000 0.000 -21.746) 21.746 22.922 ( -0.000 0.000 -21.746) 21.746 26.237 ( 0.000 -0.000 6.825) 6.825 26.237 ( 0.000 -0.000 6.825) 6.825 28.900 ( -0.000 0.000 -1.843) 1.843 28.900 ( -0.000 0.000 -1.843) 1.843 29.545 ( 0.000 -0.000 2.914) 2.914 29.545 ( 0.000 -0.000 2.914) 2.914 30.428 ( 0.000 -0.000 0.797) 0.797 30.428 ( 0.000 -0.000 0.797) 0.797 30.788 ( -0.000 0.000 -3.290) 3.290 31.474 ( 0.000 -0.000 1.822) 1.822 34.135 ( 0.000 -0.000 4.955) 4.955 35.000 ( -0.000 0.000 -3.744) 3.744 36.912 ( 0.000 -0.000 0.724) 0.724 ======================= Grid point 458 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 7.687 4.438 14.762) 17.225 1.316 ( 6.867 3.965 12.279) 14.617 1.494 ( 2.158 1.246 2.006) 3.199 1.571 ( 5.618 3.244 -12.235) 13.849 1.597 ( 6.648 3.838 -10.657) 13.134 1.861 ( 0.634 0.366 3.019) 3.106 1.931 ( 0.129 0.075 -0.380) 0.408 2.274 ( -0.053 -0.031 0.520) 0.523 2.274 ( 0.040 0.023 0.606) 0.607 4.851 ( 2.004 1.157 0.776) 2.441 4.860 ( 2.269 1.310 1.149) 2.861 5.102 ( -1.534 -0.885 18.001) 18.088 5.404 ( -1.183 -0.683 -0.514) 1.460 5.406 ( -1.004 -0.580 -0.711) 1.360 6.751 ( -3.596 -2.076 -0.444) 4.176 6.761 ( -2.554 -1.474 0.091) 2.950 7.659 ( 3.151 1.819 -17.382) 17.759 12.285 ( -0.987 -0.570 2.818) 3.040 13.997 ( 2.504 1.446 -4.167) 5.072 15.636 ( 1.824 1.053 1.117) 2.384 15.851 ( 19.794 11.428 -0.284) 22.858 16.139 ( 2.214 1.278 5.712) 6.258 18.464 ( 2.158 1.246 -1.828) 3.091 18.758 ( -0.442 -0.255 -4.777) 4.804 18.834 ( 5.683 3.281 -6.743) 9.409 20.533 ( -32.498 -18.763 7.300) 38.229 20.866 ( -8.381 -4.839 5.138) 10.957 21.076 ( 3.093 1.786 10.330) 10.930 21.090 ( 3.343 1.930 3.053) 4.921 22.761 ( 21.486 12.405 -7.922) 26.044 22.858 ( 10.477 6.049 -2.871) 12.433 22.932 ( 5.226 3.017 -22.457) 23.253 26.261 ( 0.380 0.219 6.065) 6.081 26.351 ( 7.452 4.302 3.074) 9.137 28.869 ( -1.932 -1.116 -0.765) 2.359 28.892 ( -1.867 -1.078 -0.263) 2.172 29.480 ( -7.989 -4.613 7.503) 11.892 29.538 ( -1.663 -0.960 1.731) 2.585 30.082 ( -22.450 -12.961 -0.649) 25.931 30.408 ( -2.058 -1.188 0.814) 2.512 30.645 ( -10.876 -6.279 -2.884) 12.886 31.785 ( 20.840 12.032 -1.750) 24.128 34.132 ( -1.662 -0.959 3.764) 4.225 34.984 ( -0.142 -0.082 -2.911) 2.916 36.819 ( -8.425 -4.864 0.724) 9.755 ======================= Grid point 459 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 1.104 0.637 1.073) 1.666 1.547 ( 8.733 5.042 5.726) 11.596 1.643 ( 7.823 4.516 3.553) 9.707 1.709 ( 10.213 5.897 -4.589) 12.654 1.735 ( 7.338 4.237 -3.489) 9.164 1.911 ( 3.901 2.252 1.638) 4.794 1.940 ( 1.313 0.758 -0.908) 1.768 2.273 ( -0.173 -0.100 0.137) 0.243 2.280 ( 0.409 0.236 0.263) 0.540 4.906 ( -0.584 -0.337 3.977) 4.033 4.921 ( 3.924 2.265 1.375) 4.735 5.144 ( 2.249 1.299 5.300) 5.902 5.365 ( -1.988 -1.148 -0.870) 2.455 5.366 ( -2.371 -1.369 -0.741) 2.836 6.634 ( -6.808 -3.931 -0.489) 7.876 6.684 ( -4.460 -2.575 0.355) 5.162 7.704 ( 6.191 3.575 -8.515) 11.119 12.264 ( -1.721 -0.994 1.445) 2.457 14.059 ( 4.382 2.530 -2.225) 5.527 15.699 ( 3.166 1.828 2.063) 4.198 16.217 ( 2.931 1.692 1.839) 3.852 16.376 ( 26.663 15.394 -0.671) 30.795 18.531 ( 4.494 2.594 -1.589) 5.427 18.741 ( 0.305 0.176 -0.008) 0.353 18.953 ( 6.897 3.982 -5.679) 9.781 19.834 ( -31.100 -17.956 2.147) 35.975 20.684 ( -9.708 -5.605 2.078) 11.400 21.182 ( 1.670 0.964 12.476) 12.624 21.205 ( 5.218 3.012 4.211) 7.350 22.905 ( 8.084 4.667 -5.893) 11.039 22.944 ( 5.542 3.199 -24.076) 24.912 23.428 ( 26.363 15.221 5.194) 30.881 26.304 ( 1.120 0.647 5.557) 5.705 26.579 ( 12.659 7.309 -0.703) 14.634 28.662 ( -22.983 -13.269 1.111) 26.562 28.815 ( -2.850 -1.646 0.309) 3.306 29.254 ( -17.000 -9.815 9.897) 21.984 29.491 ( -2.984 -1.723 0.438) 3.473 29.736 ( -4.023 -2.323 -5.282) 7.034 30.351 ( -3.337 -1.927 0.940) 3.966 30.382 ( -10.153 -5.862 -2.252) 11.939 32.212 ( 18.238 10.529 -2.027) 21.156 34.125 ( 0.347 0.200 2.653) 2.683 34.958 ( -1.458 -0.842 -2.244) 2.805 36.578 ( -13.363 -7.715 0.730) 15.447 ======================= Grid point 469 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 4.775 9.516) 10.647 1.375 ( 0.000 7.532 12.658) 14.730 1.502 ( 0.000 5.551 0.985) 5.638 1.520 ( -0.000 7.862 -12.101) 14.431 1.550 ( -0.000 7.311 -8.089) 10.903 1.871 ( 0.000 0.569 1.480) 1.585 1.930 ( -0.000 0.217 -0.117) 0.246 2.275 ( 0.000 -0.110 0.339) 0.357 2.277 ( 0.000 0.054 0.239) 0.245 4.857 ( -0.000 2.646 -0.094) 2.648 4.861 ( 0.000 2.991 0.739) 3.081 5.166 ( 0.000 -2.436 9.801) 10.099 5.401 ( -0.000 -1.521 -0.133) 1.527 5.405 ( -0.000 -1.254 -0.461) 1.336 6.748 ( 0.000 -4.275 -0.029) 4.275 6.763 ( -0.000 -2.810 -0.225) 2.819 7.596 ( -0.000 3.783 -9.077) 9.834 12.295 ( 0.000 -1.124 1.394) 1.791 13.982 ( -0.000 2.842 -2.027) 3.490 15.645 ( -0.000 2.677 -0.229) 2.687 15.846 ( 0.000 22.492 0.457) 22.497 16.158 ( 0.000 2.241 3.067) 3.798 18.457 ( -0.000 2.359 -0.772) 2.482 18.751 ( -0.000 0.331 -3.754) 3.768 18.802 ( -0.000 5.581 -2.051) 5.946 20.541 ( 0.000 -38.587 6.318) 39.101 20.873 ( 0.000 -8.764 2.666) 9.161 21.092 ( 0.000 5.504 2.161) 5.913 21.176 ( -0.000 5.927 -1.494) 6.112 22.676 ( 0.000 17.063 2.075) 17.189 22.763 ( 0.000 0.003 0.770) 0.770 22.970 ( -0.000 22.020 -16.356) 27.430 26.297 ( 0.000 1.598 0.749) 1.764 26.347 ( 0.000 7.530 3.760) 8.417 28.871 ( -0.000 -1.898 -1.073) 2.181 28.878 ( 0.000 -3.293 1.777) 3.742 29.517 ( 0.000 -5.093 2.080) 5.502 29.542 ( 0.000 -2.098 1.158) 2.396 30.076 ( 0.000 -27.907 0.126) 27.907 30.413 ( 0.000 -2.148 0.009) 2.148 30.634 ( -0.000 -12.737 -1.413) 12.816 31.779 ( -0.000 23.461 -0.823) 23.476 34.145 ( 0.000 -1.840 1.993) 2.713 34.974 ( -0.000 -0.278 -1.519) 1.544 36.822 ( 0.000 -9.591 0.299) 9.596 ======================= Grid point 470 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.717 1.241 -0.000) 1.433 1.517 ( 4.348 7.531 -0.000) 8.696 1.611 ( 3.802 6.585 -0.000) 7.604 1.636 ( 6.221 10.775 0.000) 12.442 1.672 ( 5.905 10.227 0.000) 11.809 1.894 ( 1.412 2.446 -0.000) 2.824 1.935 ( 0.314 0.545 -0.000) 0.629 2.276 ( 0.022 0.038 -0.000) 0.044 2.277 ( 0.035 0.061 -0.000) 0.070 4.906 ( 1.152 1.996 -0.000) 2.305 4.907 ( 2.347 4.066 -0.000) 4.695 5.155 ( -0.596 -1.032 -0.000) 1.192 5.374 ( -1.191 -2.063 -0.000) 2.382 5.378 ( -1.166 -2.019 -0.000) 2.332 6.671 ( -3.458 -5.989 -0.000) 6.915 6.710 ( -2.354 -4.078 -0.000) 4.708 7.648 ( 3.183 5.513 -0.000) 6.366 12.277 ( -0.887 -1.537 -0.000) 1.775 14.030 ( 2.291 3.968 -0.000) 4.582 15.693 ( 2.221 3.846 -0.000) 4.441 16.204 ( 1.632 2.827 -0.000) 3.264 16.213 ( 14.596 25.281 -0.000) 29.192 18.503 ( 2.220 3.845 -0.000) 4.440 18.739 ( -0.017 -0.030 -0.000) 0.034 18.900 ( 4.186 7.250 -0.000) 8.371 20.016 ( -19.191 -33.240 -0.000) 38.383 20.843 ( -2.968 -5.141 -0.000) 5.937 20.944 ( -3.259 -5.644 -0.000) 6.518 21.380 ( 7.206 12.482 -0.000) 14.413 22.688 ( -0.760 -1.316 -0.000) 1.519 23.017 ( 7.373 12.770 -0.000) 14.746 23.253 ( 14.345 24.847 -0.000) 28.691 26.325 ( 1.390 2.407 -0.000) 2.780 26.493 ( 5.843 10.121 -0.000) 11.686 28.770 ( -8.901 -15.416 0.000) 17.801 28.824 ( -2.170 -3.759 -0.000) 4.340 29.394 ( -6.462 -11.192 -0.000) 12.923 29.500 ( -2.556 -4.427 -0.000) 5.112 29.761 ( -6.477 -11.219 -0.000) 12.955 30.372 ( -2.206 -3.820 -0.000) 4.411 30.444 ( -6.143 -10.640 -0.000) 12.286 32.097 ( 11.101 19.227 -0.000) 22.201 34.131 ( -0.253 -0.438 -0.000) 0.506 34.961 ( -0.662 -1.146 -0.000) 1.324 36.655 ( -7.186 -12.446 -0.000) 14.372 ======================= Grid point 580 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 -0.000 0.000) 0.000 1.357 ( 0.000 -0.000 0.000) 0.000 1.387 ( -0.000 0.000 -0.000) 0.000 1.387 ( -0.000 0.000 -0.000) 0.000 1.497 ( 0.000 -0.000 0.000) 0.000 1.870 ( 0.000 -0.000 0.000) 0.000 1.929 ( -0.000 0.000 -0.000) 0.000 2.277 ( 0.000 -0.000 0.000) 0.000 2.277 ( 0.000 -0.000 0.000) 0.000 4.831 ( 0.000 -0.000 0.000) 0.000 4.831 ( 0.000 -0.000 0.000) 0.000 5.217 ( 0.000 -0.000 0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 5.416 ( 0.000 -0.000 0.000) 0.000 6.789 ( 0.000 -0.000 0.000) 0.000 6.789 ( 0.000 -0.000 0.000) 0.000 7.536 ( 0.000 -0.000 0.000) 0.000 12.309 ( 0.000 -0.000 0.000) 0.000 13.950 ( 0.000 -0.000 0.000) 0.000 15.619 ( 0.000 -0.000 0.000) 0.000 15.619 ( 0.000 -0.000 0.000) 0.000 16.142 ( 0.000 -0.000 0.000) 0.000 18.432 ( 0.000 -0.000 0.000) 0.000 18.741 ( 0.000 -0.000 0.000) 0.000 18.741 ( 0.000 -0.000 0.000) 0.000 21.022 ( 0.000 -0.000 0.000) 0.000 21.022 ( 0.000 -0.000 0.000) 0.000 21.056 ( 0.000 -0.000 0.000) 0.000 21.056 ( 0.000 -0.000 0.000) 0.000 22.368 ( 0.000 -0.000 0.000) 0.000 22.765 ( 0.000 -0.000 0.000) 0.000 22.765 ( 0.000 -0.000 0.000) 0.000 26.283 ( 0.000 -0.000 0.000) 0.000 26.283 ( 0.000 -0.000 0.000) 0.000 28.888 ( 0.000 -0.000 0.000) 0.000 28.888 ( 0.000 -0.000 0.000) 0.000 29.565 ( 0.000 -0.000 0.000) 0.000 29.565 ( 0.000 -0.000 0.000) 0.000 30.434 ( 0.000 -0.000 0.000) 0.000 30.434 ( 0.000 -0.000 0.000) 0.000 30.765 ( 0.000 -0.000 0.000) 0.000 31.486 ( 0.000 -0.000 0.000) 0.000 34.171 ( 0.000 -0.000 0.000) 0.000 34.972 ( 0.000 -0.000 0.000) 0.000 36.917 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/45000 10.0 769.296 769.296 646.462 0.000 0.000 0.000 3/45000 20.0 266.464 266.464 161.658 0.000 -0.000 0.000 3/45000 30.0 190.942 190.942 102.810 0.000 -0.000 0.000 3/45000 40.0 137.593 137.593 69.992 0.000 -0.000 0.000 3/45000 50.0 102.359 102.359 50.428 0.000 -0.000 0.000 3/45000 60.0 79.387 79.387 38.497 0.000 -0.000 0.000 3/45000 70.0 63.991 63.991 30.843 0.000 -0.000 0.000 3/45000 80.0 53.236 53.236 25.642 0.000 -0.000 0.000 3/45000 90.0 45.392 45.392 21.913 0.000 -0.000 0.000 3/45000 100.0 39.442 39.442 19.114 0.000 -0.000 0.000 3/45000 110.0 34.771 34.771 16.931 0.000 -0.000 0.000 3/45000 120.0 31.001 31.001 15.176 0.000 -0.000 0.000 3/45000 130.0 27.889 27.889 13.730 0.000 -0.000 0.000 3/45000 140.0 25.272 25.272 12.516 0.000 -0.000 0.000 3/45000 150.0 23.041 23.041 11.480 0.000 -0.000 0.000 3/45000 160.0 21.116 21.116 10.584 0.000 -0.000 0.000 3/45000 170.0 19.439 19.439 9.803 0.000 -0.000 0.000 3/45000 180.0 17.967 17.967 9.114 0.000 -0.000 0.000 3/45000 190.0 16.667 16.667 8.504 0.000 -0.000 0.000 3/45000 200.0 15.512 15.512 7.959 0.000 -0.000 0.000 3/45000 210.0 14.481 14.481 7.471 0.000 -0.000 0.000 3/45000 220.0 13.557 13.557 7.032 0.000 -0.000 0.000 3/45000 230.0 12.727 12.727 6.634 0.000 -0.000 0.000 3/45000 240.0 11.977 11.977 6.274 0.000 -0.000 0.000 3/45000 250.0 11.298 11.298 5.946 0.000 -0.000 0.000 3/45000 260.0 10.682 10.682 5.648 0.000 -0.000 0.000 3/45000 270.0 10.121 10.121 5.374 0.000 -0.000 0.000 3/45000 280.0 9.609 9.609 5.124 0.000 -0.000 0.000 3/45000 290.0 9.140 9.140 4.894 0.000 -0.000 0.000 3/45000 300.0 8.711 8.711 4.682 0.000 -0.000 0.000 3/45000 310.0 8.316 8.316 4.486 0.000 -0.000 0.000 3/45000 320.0 7.952 7.952 4.305 0.000 -0.000 0.000 3/45000 330.0 7.616 7.616 4.137 0.000 -0.000 0.000 3/45000 340.0 7.305 7.305 3.981 0.000 -0.000 0.000 3/45000 350.0 7.017 7.017 3.836 0.000 -0.000 0.000 3/45000 360.0 6.750 6.750 3.701 0.000 -0.000 0.000 3/45000 370.0 6.501 6.501 3.575 0.000 -0.000 0.000 3/45000 380.0 6.268 6.268 3.457 0.000 -0.000 0.000 3/45000 390.0 6.051 6.051 3.346 0.000 -0.000 0.000 3/45000 400.0 5.848 5.848 3.242 0.000 -0.000 0.000 3/45000 410.0 5.658 5.658 3.144 0.000 -0.000 0.000 3/45000 420.0 5.479 5.479 3.052 0.000 -0.000 0.000 3/45000 430.0 5.311 5.311 2.965 0.000 -0.000 0.000 3/45000 440.0 5.153 5.153 2.883 0.000 -0.000 0.000 3/45000 450.0 5.004 5.004 2.805 0.000 -0.000 0.000 3/45000 460.0 4.863 4.863 2.732 0.000 -0.000 0.000 3/45000 470.0 4.730 4.730 2.662 0.000 -0.000 0.000 3/45000 480.0 4.603 4.603 2.596 0.000 -0.000 0.000 3/45000 490.0 4.484 4.484 2.533 0.000 -0.000 0.000 3/45000 500.0 4.370 4.370 2.473 0.000 -0.000 0.000 3/45000 510.0 4.262 4.262 2.415 0.000 -0.000 0.000 3/45000 520.0 4.159 4.159 2.361 0.000 -0.000 0.000 3/45000 530.0 4.061 4.061 2.309 0.000 -0.000 0.000 3/45000 540.0 3.968 3.968 2.259 0.000 -0.000 0.000 3/45000 550.0 3.879 3.879 2.211 0.000 -0.000 0.000 3/45000 560.0 3.794 3.794 2.166 0.000 -0.000 0.000 3/45000 570.0 3.712 3.712 2.122 0.000 -0.000 0.000 3/45000 580.0 3.634 3.634 2.080 0.000 -0.000 0.000 3/45000 590.0 3.560 3.560 2.040 0.000 -0.000 0.000 3/45000 600.0 3.488 3.488 2.001 0.000 -0.000 0.000 3/45000 610.0 3.419 3.419 1.964 0.000 -0.000 0.000 3/45000 620.0 3.353 3.353 1.928 0.000 -0.000 0.000 3/45000 630.0 3.290 3.290 1.893 0.000 -0.000 0.000 3/45000 640.0 3.229 3.229 1.860 0.000 -0.000 0.000 3/45000 650.0 3.170 3.170 1.828 0.000 -0.000 0.000 3/45000 660.0 3.114 3.114 1.797 0.000 -0.000 0.000 3/45000 670.0 3.059 3.059 1.767 0.000 -0.000 0.000 3/45000 680.0 3.006 3.006 1.738 0.000 -0.000 0.000 3/45000 690.0 2.955 2.955 1.710 0.000 -0.000 0.000 3/45000 700.0 2.906 2.906 1.683 0.000 -0.000 0.000 3/45000 710.0 2.859 2.859 1.657 0.000 -0.000 0.000 3/45000 720.0 2.813 2.813 1.632 0.000 -0.000 0.000 3/45000 730.0 2.769 2.769 1.607 0.000 -0.000 0.000 3/45000 740.0 2.726 2.726 1.584 0.000 -0.000 0.000 3/45000 750.0 2.684 2.684 1.560 0.000 -0.000 0.000 3/45000 760.0 2.644 2.644 1.538 0.000 -0.000 0.000 3/45000 770.0 2.605 2.605 1.516 0.000 -0.000 0.000 3/45000 780.0 2.567 2.567 1.495 0.000 -0.000 0.000 3/45000 790.0 2.530 2.530 1.475 0.000 -0.000 0.000 3/45000 800.0 2.494 2.494 1.455 0.000 -0.000 0.000 3/45000 810.0 2.459 2.459 1.435 0.000 -0.000 0.000 3/45000 820.0 2.426 2.426 1.416 0.000 -0.000 0.000 3/45000 830.0 2.393 2.393 1.398 0.000 -0.000 0.000 3/45000 840.0 2.361 2.361 1.380 0.000 -0.000 0.000 3/45000 850.0 2.330 2.330 1.363 0.000 -0.000 0.000 3/45000 860.0 2.300 2.300 1.346 0.000 -0.000 0.000 3/45000 870.0 2.270 2.270 1.329 0.000 -0.000 0.000 3/45000 880.0 2.242 2.242 1.313 0.000 -0.000 0.000 3/45000 890.0 2.214 2.214 1.297 0.000 -0.000 0.000 3/45000 900.0 2.187 2.187 1.282 0.000 -0.000 0.000 3/45000 910.0 2.160 2.160 1.267 0.000 -0.000 0.000 3/45000 920.0 2.134 2.134 1.252 0.000 -0.000 0.000 3/45000 930.0 2.109 2.109 1.238 0.000 -0.000 0.000 3/45000 940.0 2.084 2.084 1.224 0.000 -0.000 0.000 3/45000 950.0 2.060 2.060 1.210 0.000 -0.000 0.000 3/45000 960.0 2.037 2.037 1.197 0.000 -0.000 0.000 3/45000 970.0 2.014 2.014 1.184 0.000 -0.000 0.000 3/45000 980.0 1.992 1.992 1.171 0.000 -0.000 0.000 3/45000 990.0 1.970 1.970 1.159 0.000 -0.000 0.000 3/45000 1000.0 1.948 1.948 1.147 0.000 -0.000 0.000 3/45000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|