----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513163540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.171852330000000 Atomic positions (fractional): *1 Tm 0.57348985267261 0.75000000000000 0.02188568962735 168.934 2 Tm 0.07348985267261 0.75000000000000 0.47811431037265 168.934 3 Tm 0.92651014732739 0.25000000000000 0.52188568962735 168.934 4 Tm 0.42651014732739 0.25000000000000 0.97811431037265 168.934 *5 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 *9 O 0.04205140299309 0.25000000000000 0.11841152279302 15.999 *10 O 0.30692563683164 0.55971565841499 0.19028086222349 15.999 11 O 0.30692563683164 0.94028434158501 0.19028086222349 15.999 12 O 0.80692563683164 0.94028434158501 0.30971913777651 15.999 13 O 0.80692563683164 0.55971565841499 0.30971913777651 15.999 14 O 0.54205140299309 0.25000000000000 0.38158847720698 15.999 15 O 0.45794859700691 0.75000000000000 0.61841152279302 15.999 16 O 0.19307436316836 0.05971565841499 0.69028086222350 15.999 17 O 0.19307436316836 0.44028434158501 0.69028086222350 15.999 18 O 0.69307436316836 0.44028434158501 0.80971913777650 15.999 19 O 0.69307436316836 0.05971565841499 0.80971913777650 15.999 20 O 0.95794859700691 0.75000000000000 0.88158847720698 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.513163540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.171852330000000 Atomic positions (fractional): *1 Tm 0.57348985267261 0.75000000000000 0.02188568962735 168.934 > 1 2 Tm 0.07348985267261 0.75000000000000 0.47811431037265 168.934 > 2 3 Tm 0.92651014732739 0.25000000000000 0.52188568962735 168.934 > 3 4 Tm 0.42651014732739 0.25000000000000 0.97811431037265 168.934 > 4 *5 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 5 6 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 6 7 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 7 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 8 *9 O 0.04205140299309 0.25000000000000 0.11841152279302 15.999 > 9 *10 O 0.30692563683164 0.55971565841499 0.19028086222349 15.999 > 10 11 O 0.30692563683164 0.94028434158501 0.19028086222349 15.999 > 11 12 O 0.80692563683164 0.94028434158501 0.30971913777651 15.999 > 12 13 O 0.80692563683164 0.55971565841499 0.30971913777651 15.999 > 13 14 O 0.54205140299309 0.25000000000000 0.38158847720698 15.999 > 14 15 O 0.45794859700691 0.75000000000000 0.61841152279302 15.999 > 15 16 O 0.19307436316836 0.05971565841499 0.69028086222350 15.999 > 16 17 O 0.19307436316836 0.44028434158501 0.69028086222350 15.999 > 17 18 O 0.69307436316836 0.44028434158501 0.80971913777650 15.999 > 18 19 O 0.69307436316836 0.05971565841499 0.80971913777650 15.999 > 19 20 O 0.95794859700691 0.75000000000000 0.88158847720698 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.026327080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.343704660000000 Atomic positions (fractional): *1 Tm 0.28674492633631 0.75000000000000 0.01094284481367 168.934 > 1 2 Tm 0.78674492633631 0.75000000000000 0.01094284481367 168.934 > 1 3 Tm 0.28674492633631 0.75000000000000 0.51094284481367 168.934 > 1 4 Tm 0.78674492633631 0.75000000000000 0.51094284481367 168.934 > 1 5 Tm 0.03674492633631 0.75000000000000 0.23905715518633 168.934 > 2 6 Tm 0.53674492633631 0.75000000000000 0.23905715518633 168.934 > 2 7 Tm 0.03674492633631 0.75000000000000 0.73905715518633 168.934 > 2 8 Tm 0.53674492633631 0.75000000000000 0.73905715518633 168.934 > 2 9 Tm 0.46325507366369 0.25000000000000 0.26094284481367 168.934 > 3 10 Tm 0.96325507366369 0.25000000000000 0.26094284481367 168.934 > 3 11 Tm 0.46325507366369 0.25000000000000 0.76094284481367 168.934 > 3 12 Tm 0.96325507366369 0.25000000000000 0.76094284481367 168.934 > 3 13 Tm 0.21325507366369 0.25000000000000 0.48905715518633 168.934 > 4 14 Tm 0.71325507366369 0.25000000000000 0.48905715518633 168.934 > 4 15 Tm 0.21325507366369 0.25000000000000 0.98905715518633 168.934 > 4 16 Tm 0.71325507366369 0.25000000000000 0.98905715518633 168.934 > 4 *17 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 5 18 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 5 19 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 5 20 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 5 21 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 6 22 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 6 23 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 6 24 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 6 25 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 7 26 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 7 27 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 7 28 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 7 29 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 8 30 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 8 31 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 8 32 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 8 *33 O 0.02102570149655 0.25000000000000 0.05920576139651 15.999 > 9 34 O 0.52102570149655 0.25000000000000 0.05920576139651 15.999 > 9 35 O 0.02102570149655 0.25000000000000 0.55920576139651 15.999 > 9 36 O 0.52102570149655 0.25000000000000 0.55920576139651 15.999 > 9 *37 O 0.15346281841582 0.55971565841499 0.09514043111175 15.999 > 10 38 O 0.65346281841582 0.55971565841499 0.09514043111175 15.999 > 10 39 O 0.15346281841582 0.55971565841499 0.59514043111175 15.999 > 10 40 O 0.65346281841582 0.55971565841499 0.59514043111175 15.999 > 10 41 O 0.15346281841582 0.94028434158501 0.09514043111175 15.999 > 11 42 O 0.65346281841582 0.94028434158501 0.09514043111175 15.999 > 11 43 O 0.15346281841582 0.94028434158501 0.59514043111175 15.999 > 11 44 O 0.65346281841582 0.94028434158501 0.59514043111175 15.999 > 11 45 O 0.40346281841582 0.94028434158501 0.15485956888825 15.999 > 12 46 O 0.90346281841582 0.94028434158501 0.15485956888825 15.999 > 12 47 O 0.40346281841582 0.94028434158501 0.65485956888825 15.999 > 12 48 O 0.90346281841582 0.94028434158501 0.65485956888825 15.999 > 12 49 O 0.40346281841582 0.55971565841499 0.15485956888825 15.999 > 13 50 O 0.90346281841582 0.55971565841499 0.15485956888825 15.999 > 13 51 O 0.40346281841582 0.55971565841499 0.65485956888825 15.999 > 13 52 O 0.90346281841582 0.55971565841499 0.65485956888825 15.999 > 13 53 O 0.27102570149655 0.25000000000000 0.19079423860349 15.999 > 14 54 O 0.77102570149655 0.25000000000000 0.19079423860349 15.999 > 14 55 O 0.27102570149655 0.25000000000000 0.69079423860349 15.999 > 14 56 O 0.77102570149655 0.25000000000000 0.69079423860349 15.999 > 14 57 O 0.22897429850345 0.75000000000000 0.30920576139651 15.999 > 15 58 O 0.72897429850345 0.75000000000000 0.30920576139651 15.999 > 15 59 O 0.22897429850345 0.75000000000000 0.80920576139651 15.999 > 15 60 O 0.72897429850345 0.75000000000000 0.80920576139651 15.999 > 15 61 O 0.09653718158418 0.05971565841499 0.34514043111175 15.999 > 16 62 O 0.59653718158418 0.05971565841499 0.34514043111175 15.999 > 16 63 O 0.09653718158418 0.05971565841499 0.84514043111175 15.999 > 16 64 O 0.59653718158418 0.05971565841499 0.84514043111175 15.999 > 16 65 O 0.09653718158418 0.44028434158501 0.34514043111175 15.999 > 17 66 O 0.59653718158418 0.44028434158501 0.34514043111175 15.999 > 17 67 O 0.09653718158418 0.44028434158501 0.84514043111175 15.999 > 17 68 O 0.59653718158418 0.44028434158501 0.84514043111175 15.999 > 17 69 O 0.34653718158418 0.44028434158501 0.40485956888825 15.999 > 18 70 O 0.84653718158418 0.44028434158501 0.40485956888825 15.999 > 18 71 O 0.34653718158418 0.44028434158501 0.90485956888825 15.999 > 18 72 O 0.84653718158418 0.44028434158501 0.90485956888825 15.999 > 18 73 O 0.34653718158418 0.05971565841499 0.40485956888825 15.999 > 19 74 O 0.84653718158418 0.05971565841499 0.40485956888825 15.999 > 19 75 O 0.34653718158418 0.05971565841499 0.90485956888825 15.999 > 19 76 O 0.84653718158418 0.05971565841499 0.90485956888825 15.999 > 19 77 O 0.47897429850345 0.75000000000000 0.44079423860349 15.999 > 20 78 O 0.97897429850345 0.75000000000000 0.44079423860349 15.999 > 20 79 O 0.47897429850345 0.75000000000000 0.94079423860349 15.999 > 20 80 O 0.97897429850345 0.75000000000000 0.94079423860349 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5376173 0.0000000 0.0000000 0.0000000 4.3776264 0.0000000 0.0000000 0.0000000 4.5236359 -------------------------- Born effective charges -------------------------- 1 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 2 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 3 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 4 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 5 Ga 3.3656668 -0.0652078 0.0796543 -0.0507255 3.2667800 -0.0373080 0.1634970 0.1326373 3.2360492 6 Ga 3.3656668 -0.0652078 -0.0796543 -0.0507255 3.2667800 0.0373080 -0.1634970 -0.1326373 3.2360492 7 Ga 3.3656668 0.0652078 -0.0796543 0.0507255 3.2667800 -0.0373080 -0.1634970 0.1326373 3.2360492 8 Ga 3.3656668 0.0652078 0.0796543 0.0507255 3.2667800 0.0373080 0.1634970 -0.1326373 3.2360492 9 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 10 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 11 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 12 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 13 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 14 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 15 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 16 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 17 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 18 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 19 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 20 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.734 Solver_block: 200 / 320 - Time: 0.747 Solver_block: 300 / 320 - Time: 0.745 Solver_block: 320 / 320 - Time: 0.192 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.433 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 23:27:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:27:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513163540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.171852330000000 Atomic positions (fractional): 1 Tm 0.57348985267261 0.75000000000000 0.02188568962735 168.934 2 Tm 0.07348985267261 0.75000000000000 0.47811431037265 168.934 3 Tm 0.92651014732739 0.25000000000000 0.52188568962735 168.934 4 Tm 0.42651014732739 0.25000000000000 0.97811431037265 168.934 5 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 9 O 0.04205140299309 0.25000000000000 0.11841152279302 15.999 10 O 0.30692563683164 0.55971565841499 0.19028086222349 15.999 11 O 0.30692563683164 0.94028434158501 0.19028086222349 15.999 12 O 0.80692563683164 0.94028434158501 0.30971913777651 15.999 13 O 0.80692563683164 0.55971565841499 0.30971913777651 15.999 14 O 0.54205140299309 0.25000000000000 0.38158847720698 15.999 15 O 0.45794859700691 0.75000000000000 0.61841152279302 15.999 16 O 0.19307436316836 0.05971565841499 0.69028086222350 15.999 17 O 0.19307436316836 0.44028434158501 0.69028086222350 15.999 18 O 0.69307436316836 0.44028434158501 0.80971913777650 15.999 19 O 0.69307436316836 0.05971565841499 0.80971913777650 15.999 20 O 0.95794859700691 0.75000000000000 0.88158847720698 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.026327080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.343704660000000 Atomic positions (fractional): 1 Tm 0.28674492633631 0.75000000000000 0.01094284481367 168.934 > 1 2 Tm 0.78674492633631 0.75000000000000 0.01094284481367 168.934 > 1 3 Tm 0.28674492633631 0.75000000000000 0.51094284481367 168.934 > 1 4 Tm 0.78674492633631 0.75000000000000 0.51094284481367 168.934 > 1 5 Tm 0.03674492633631 0.75000000000000 0.23905715518633 168.934 > 5 6 Tm 0.53674492633631 0.75000000000000 0.23905715518633 168.934 > 5 7 Tm 0.03674492633631 0.75000000000000 0.73905715518633 168.934 > 5 8 Tm 0.53674492633631 0.75000000000000 0.73905715518633 168.934 > 5 9 Tm 0.46325507366369 0.25000000000000 0.26094284481367 168.934 > 9 10 Tm 0.96325507366369 0.25000000000000 0.26094284481367 168.934 > 9 11 Tm 0.46325507366369 0.25000000000000 0.76094284481367 168.934 > 9 12 Tm 0.96325507366369 0.25000000000000 0.76094284481367 168.934 > 9 13 Tm 0.21325507366369 0.25000000000000 0.48905715518633 168.934 > 13 14 Tm 0.71325507366369 0.25000000000000 0.48905715518633 168.934 > 13 15 Tm 0.21325507366369 0.25000000000000 0.98905715518633 168.934 > 13 16 Tm 0.71325507366369 0.25000000000000 0.98905715518633 168.934 > 13 17 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 17 18 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 17 19 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 17 20 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 17 21 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 21 22 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 21 23 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 21 24 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 21 25 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 25 26 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 25 27 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 25 28 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 25 29 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 29 30 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 29 31 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 29 32 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 29 33 O 0.02102570149655 0.25000000000000 0.05920576139651 15.999 > 33 34 O 0.52102570149655 0.25000000000000 0.05920576139651 15.999 > 33 35 O 0.02102570149655 0.25000000000000 0.55920576139651 15.999 > 33 36 O 0.52102570149655 0.25000000000000 0.55920576139651 15.999 > 33 37 O 0.15346281841582 0.55971565841499 0.09514043111175 15.999 > 37 38 O 0.65346281841582 0.55971565841499 0.09514043111175 15.999 > 37 39 O 0.15346281841582 0.55971565841499 0.59514043111175 15.999 > 37 40 O 0.65346281841582 0.55971565841499 0.59514043111175 15.999 > 37 41 O 0.15346281841582 0.94028434158501 0.09514043111175 15.999 > 41 42 O 0.65346281841582 0.94028434158501 0.09514043111175 15.999 > 41 43 O 0.15346281841582 0.94028434158501 0.59514043111175 15.999 > 41 44 O 0.65346281841582 0.94028434158501 0.59514043111175 15.999 > 41 45 O 0.40346281841582 0.94028434158501 0.15485956888825 15.999 > 45 46 O 0.90346281841582 0.94028434158501 0.15485956888825 15.999 > 45 47 O 0.40346281841582 0.94028434158501 0.65485956888825 15.999 > 45 48 O 0.90346281841582 0.94028434158501 0.65485956888825 15.999 > 45 49 O 0.40346281841582 0.55971565841499 0.15485956888825 15.999 > 49 50 O 0.90346281841582 0.55971565841499 0.15485956888825 15.999 > 49 51 O 0.40346281841582 0.55971565841499 0.65485956888825 15.999 > 49 52 O 0.90346281841582 0.55971565841499 0.65485956888825 15.999 > 49 53 O 0.27102570149655 0.25000000000000 0.19079423860349 15.999 > 53 54 O 0.77102570149655 0.25000000000000 0.19079423860349 15.999 > 53 55 O 0.27102570149655 0.25000000000000 0.69079423860349 15.999 > 53 56 O 0.77102570149655 0.25000000000000 0.69079423860349 15.999 > 53 57 O 0.22897429850345 0.75000000000000 0.30920576139651 15.999 > 57 58 O 0.72897429850345 0.75000000000000 0.30920576139651 15.999 > 57 59 O 0.22897429850345 0.75000000000000 0.80920576139651 15.999 > 57 60 O 0.72897429850345 0.75000000000000 0.80920576139651 15.999 > 57 61 O 0.09653718158418 0.05971565841499 0.34514043111175 15.999 > 61 62 O 0.59653718158418 0.05971565841499 0.34514043111175 15.999 > 61 63 O 0.09653718158418 0.05971565841499 0.84514043111175 15.999 > 61 64 O 0.59653718158418 0.05971565841499 0.84514043111175 15.999 > 61 65 O 0.09653718158418 0.44028434158501 0.34514043111175 15.999 > 65 66 O 0.59653718158418 0.44028434158501 0.34514043111175 15.999 > 65 67 O 0.09653718158418 0.44028434158501 0.84514043111175 15.999 > 65 68 O 0.59653718158418 0.44028434158501 0.84514043111175 15.999 > 65 69 O 0.34653718158418 0.44028434158501 0.40485956888825 15.999 > 69 70 O 0.84653718158418 0.44028434158501 0.40485956888825 15.999 > 69 71 O 0.34653718158418 0.44028434158501 0.90485956888825 15.999 > 69 72 O 0.84653718158418 0.44028434158501 0.90485956888825 15.999 > 69 73 O 0.34653718158418 0.05971565841499 0.40485956888825 15.999 > 73 74 O 0.84653718158418 0.05971565841499 0.40485956888825 15.999 > 73 75 O 0.34653718158418 0.05971565841499 0.90485956888825 15.999 > 73 76 O 0.84653718158418 0.05971565841499 0.90485956888825 15.999 > 73 77 O 0.47897429850345 0.75000000000000 0.44079423860349 15.999 > 77 78 O 0.97897429850345 0.75000000000000 0.44079423860349 15.999 > 77 79 O 0.47897429850345 0.75000000000000 0.94079423860349 15.999 > 77 80 O 0.97897429850345 0.75000000000000 0.94079423860349 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5376173 0.0000000 0.0000000 0.0000000 4.3776264 0.0000000 0.0000000 0.0000000 4.5236359 -------------------------- Born effective charges -------------------------- 1 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 2 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 3 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 4 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 5 Ga 3.3656668 -0.0652078 0.0796543 -0.0507255 3.2667800 -0.0373080 0.1634970 0.1326373 3.2360492 6 Ga 3.3656668 -0.0652078 -0.0796543 -0.0507255 3.2667800 0.0373080 -0.1634970 -0.1326373 3.2360492 7 Ga 3.3656668 0.0652078 -0.0796543 0.0507255 3.2667800 -0.0373080 -0.1634970 0.1326373 3.2360492 8 Ga 3.3656668 0.0652078 0.0796543 0.0507255 3.2667800 0.0373080 0.1634970 -0.1326373 3.2360492 9 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 10 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 11 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 12 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 13 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 14 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 15 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 16 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 17 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 18 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 19 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 20 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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 0.0100 0.0000] [ 0.0000 -0.0100 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: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) 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 23:27:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:27:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.513163540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.171852330000000 Atomic positions (fractional): 1 Tm 0.57348985267261 0.75000000000000 0.02188568962735 168.934 2 Tm 0.07348985267261 0.75000000000000 0.47811431037265 168.934 3 Tm 0.92651014732739 0.25000000000000 0.52188568962735 168.934 4 Tm 0.42651014732739 0.25000000000000 0.97811431037265 168.934 5 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 6 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 7 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 8 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 9 O 0.04205140299309 0.25000000000000 0.11841152279302 15.999 10 O 0.30692563683164 0.55971565841499 0.19028086222349 15.999 11 O 0.30692563683164 0.94028434158501 0.19028086222349 15.999 12 O 0.80692563683164 0.94028434158501 0.30971913777651 15.999 13 O 0.80692563683164 0.55971565841499 0.30971913777651 15.999 14 O 0.54205140299309 0.25000000000000 0.38158847720698 15.999 15 O 0.45794859700691 0.75000000000000 0.61841152279302 15.999 16 O 0.19307436316836 0.05971565841499 0.69028086222350 15.999 17 O 0.19307436316836 0.44028434158501 0.69028086222350 15.999 18 O 0.69307436316836 0.44028434158501 0.80971913777650 15.999 19 O 0.69307436316836 0.05971565841499 0.80971913777650 15.999 20 O 0.95794859700691 0.75000000000000 0.88158847720698 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.026327080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477228010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.343704660000000 Atomic positions (fractional): 1 Tm 0.28674492633631 0.75000000000000 0.01094284481367 168.934 > 1 2 Tm 0.78674492633631 0.75000000000000 0.01094284481367 168.934 > 1 3 Tm 0.28674492633631 0.75000000000000 0.51094284481367 168.934 > 1 4 Tm 0.78674492633631 0.75000000000000 0.51094284481367 168.934 > 1 5 Tm 0.03674492633631 0.75000000000000 0.23905715518633 168.934 > 5 6 Tm 0.53674492633631 0.75000000000000 0.23905715518633 168.934 > 5 7 Tm 0.03674492633631 0.75000000000000 0.73905715518633 168.934 > 5 8 Tm 0.53674492633631 0.75000000000000 0.73905715518633 168.934 > 5 9 Tm 0.46325507366369 0.25000000000000 0.26094284481367 168.934 > 9 10 Tm 0.96325507366369 0.25000000000000 0.26094284481367 168.934 > 9 11 Tm 0.46325507366369 0.25000000000000 0.76094284481367 168.934 > 9 12 Tm 0.96325507366369 0.25000000000000 0.76094284481367 168.934 > 9 13 Tm 0.21325507366369 0.25000000000000 0.48905715518633 168.934 > 13 14 Tm 0.71325507366369 0.25000000000000 0.48905715518633 168.934 > 13 15 Tm 0.21325507366369 0.25000000000000 0.98905715518633 168.934 > 13 16 Tm 0.71325507366369 0.25000000000000 0.98905715518633 168.934 > 13 17 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 > 17 18 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 17 19 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 17 20 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 > 17 21 Ga 0.25000000000000 0.50000000000000 0.25000000000000 69.723 > 21 22 Ga 0.75000000000000 0.50000000000000 0.25000000000000 69.723 > 21 23 Ga 0.25000000000000 0.50000000000000 0.75000000000000 69.723 > 21 24 Ga 0.75000000000000 0.50000000000000 0.75000000000000 69.723 > 21 25 Ga 0.25000000000000 0.00000000000000 0.25000000000000 69.723 > 25 26 Ga 0.75000000000000 0.00000000000000 0.25000000000000 69.723 > 25 27 Ga 0.25000000000000 0.00000000000000 0.75000000000000 69.723 > 25 28 Ga 0.75000000000000 0.00000000000000 0.75000000000000 69.723 > 25 29 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 29 30 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 29 31 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 29 32 Ga 0.50000000000000 0.00000000000000 0.50000000000000 69.723 > 29 33 O 0.02102570149655 0.25000000000000 0.05920576139651 15.999 > 33 34 O 0.52102570149655 0.25000000000000 0.05920576139651 15.999 > 33 35 O 0.02102570149655 0.25000000000000 0.55920576139651 15.999 > 33 36 O 0.52102570149655 0.25000000000000 0.55920576139651 15.999 > 33 37 O 0.15346281841582 0.55971565841499 0.09514043111175 15.999 > 37 38 O 0.65346281841582 0.55971565841499 0.09514043111175 15.999 > 37 39 O 0.15346281841582 0.55971565841499 0.59514043111175 15.999 > 37 40 O 0.65346281841582 0.55971565841499 0.59514043111175 15.999 > 37 41 O 0.15346281841582 0.94028434158501 0.09514043111175 15.999 > 41 42 O 0.65346281841582 0.94028434158501 0.09514043111175 15.999 > 41 43 O 0.15346281841582 0.94028434158501 0.59514043111175 15.999 > 41 44 O 0.65346281841582 0.94028434158501 0.59514043111175 15.999 > 41 45 O 0.40346281841582 0.94028434158501 0.15485956888825 15.999 > 45 46 O 0.90346281841582 0.94028434158501 0.15485956888825 15.999 > 45 47 O 0.40346281841582 0.94028434158501 0.65485956888825 15.999 > 45 48 O 0.90346281841582 0.94028434158501 0.65485956888825 15.999 > 45 49 O 0.40346281841582 0.55971565841499 0.15485956888825 15.999 > 49 50 O 0.90346281841582 0.55971565841499 0.15485956888825 15.999 > 49 51 O 0.40346281841582 0.55971565841499 0.65485956888825 15.999 > 49 52 O 0.90346281841582 0.55971565841499 0.65485956888825 15.999 > 49 53 O 0.27102570149655 0.25000000000000 0.19079423860349 15.999 > 53 54 O 0.77102570149655 0.25000000000000 0.19079423860349 15.999 > 53 55 O 0.27102570149655 0.25000000000000 0.69079423860349 15.999 > 53 56 O 0.77102570149655 0.25000000000000 0.69079423860349 15.999 > 53 57 O 0.22897429850345 0.75000000000000 0.30920576139651 15.999 > 57 58 O 0.72897429850345 0.75000000000000 0.30920576139651 15.999 > 57 59 O 0.22897429850345 0.75000000000000 0.80920576139651 15.999 > 57 60 O 0.72897429850345 0.75000000000000 0.80920576139651 15.999 > 57 61 O 0.09653718158418 0.05971565841499 0.34514043111175 15.999 > 61 62 O 0.59653718158418 0.05971565841499 0.34514043111175 15.999 > 61 63 O 0.09653718158418 0.05971565841499 0.84514043111175 15.999 > 61 64 O 0.59653718158418 0.05971565841499 0.84514043111175 15.999 > 61 65 O 0.09653718158418 0.44028434158501 0.34514043111175 15.999 > 65 66 O 0.59653718158418 0.44028434158501 0.34514043111175 15.999 > 65 67 O 0.09653718158418 0.44028434158501 0.84514043111175 15.999 > 65 68 O 0.59653718158418 0.44028434158501 0.84514043111175 15.999 > 65 69 O 0.34653718158418 0.44028434158501 0.40485956888825 15.999 > 69 70 O 0.84653718158418 0.44028434158501 0.40485956888825 15.999 > 69 71 O 0.34653718158418 0.44028434158501 0.90485956888825 15.999 > 69 72 O 0.84653718158418 0.44028434158501 0.90485956888825 15.999 > 69 73 O 0.34653718158418 0.05971565841499 0.40485956888825 15.999 > 73 74 O 0.84653718158418 0.05971565841499 0.40485956888825 15.999 > 73 75 O 0.34653718158418 0.05971565841499 0.90485956888825 15.999 > 73 76 O 0.84653718158418 0.05971565841499 0.90485956888825 15.999 > 73 77 O 0.47897429850345 0.75000000000000 0.44079423860349 15.999 > 77 78 O 0.97897429850345 0.75000000000000 0.44079423860349 15.999 > 77 79 O 0.47897429850345 0.75000000000000 0.94079423860349 15.999 > 77 80 O 0.97897429850345 0.75000000000000 0.94079423860349 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5376173 0.0000000 0.0000000 0.0000000 4.3776264 0.0000000 0.0000000 0.0000000 4.5236359 -------------------------- Born effective charges -------------------------- 1 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 2 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 3 Tm 3.9056164 0.0000000 0.0862131 0.0000000 3.5083689 0.0000000 0.1770315 0.0000000 3.9101737 4 Tm 3.9056164 0.0000000 -0.0862131 0.0000000 3.5083689 0.0000000 -0.1770315 0.0000000 3.9101737 5 Ga 3.3656668 -0.0652078 0.0796543 -0.0507255 3.2667800 -0.0373080 0.1634970 0.1326373 3.2360492 6 Ga 3.3656668 -0.0652078 -0.0796543 -0.0507255 3.2667800 0.0373080 -0.1634970 -0.1326373 3.2360492 7 Ga 3.3656668 0.0652078 -0.0796543 0.0507255 3.2667800 -0.0373080 -0.1634970 0.1326373 3.2360492 8 Ga 3.3656668 0.0652078 0.0796543 0.0507255 3.2667800 0.0373080 0.1634970 -0.1326373 3.2360492 9 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 10 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 11 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 12 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 13 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 14 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 15 O -2.1150911 0.0000000 -0.4248170 0.0000000 -2.4631298 0.0000000 -0.3915739 0.0000000 -2.5109070 16 O -2.5780960 0.1401813 0.1209621 0.1609104 -2.1560096 -0.0986437 0.1068703 -0.1278791 -2.3176580 17 O -2.5780960 -0.1401813 0.1209621 -0.1609104 -2.1560096 0.0986437 0.1068703 0.1278791 -2.3176580 18 O -2.5780960 -0.1401813 -0.1209621 -0.1609104 -2.1560096 -0.0986437 -0.1068703 -0.1278791 -2.3176580 19 O -2.5780960 0.1401813 -0.1209621 0.1609104 -2.1560096 0.0986437 -0.1068703 0.1278791 -2.3176580 20 O -2.1150911 0.0000000 0.4248170 0.0000000 -2.4631298 0.0000000 0.3915739 0.0000000 -2.5109070 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 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: 0.70, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 8.283 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.555 ( 0.000 0.000 0.000) 0.000 9.631 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.619 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.456 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.967 ( 0.000 0.000 0.000) 0.000 13.327 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 15.409 ( 0.000 0.000 0.000) 0.000 15.542 ( 0.000 0.000 0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 15.828 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.534 ( 0.000 0.000 0.000) 0.000 16.679 ( 0.000 0.000 0.000) 0.000 16.949 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 17.843 ( 0.000 0.000 0.000) 0.000 18.382 ( 0.000 0.000 0.000) 0.000 19.098 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 29.610 0.000 0.000) 29.610 0.749 ( 36.494 0.000 0.000) 36.494 1.232 ( 59.307 0.000 0.000) 59.307 2.352 ( 3.297 0.000 0.000) 3.297 3.134 ( -5.011 0.000 0.000) 5.011 3.311 ( 1.682 0.000 0.000) 1.682 3.371 ( 0.014 0.000 0.000) 0.014 3.558 ( -6.156 0.000 0.000) 6.156 3.592 ( 2.871 0.000 0.000) 2.871 3.753 ( -20.063 0.000 0.000) 20.063 4.177 ( -2.276 0.000 0.000) 2.276 4.675 ( 0.491 0.000 0.000) 0.491 4.709 ( 0.159 0.000 0.000) 0.159 4.851 ( -10.762 0.000 0.000) 10.762 4.962 ( 20.667 0.000 0.000) 20.667 5.311 ( 10.323 0.000 0.000) 10.323 5.569 ( -3.263 0.000 0.000) 3.263 5.621 ( 6.305 0.000 0.000) 6.305 6.902 ( -0.407 0.000 0.000) 0.407 7.209 ( -1.273 0.000 0.000) 1.273 7.358 ( -3.927 0.000 0.000) 3.927 7.505 ( 3.241 0.000 0.000) 3.241 7.805 ( 1.563 0.000 0.000) 1.563 8.285 ( 0.095 0.000 0.000) 0.095 8.352 ( -5.734 0.000 0.000) 5.734 8.405 ( -15.432 0.000 0.000) 15.432 8.546 ( -6.101 0.000 0.000) 6.101 8.620 ( 2.636 0.000 0.000) 2.636 9.469 ( -13.370 0.000 0.000) 13.370 9.620 ( 4.699 0.000 0.000) 4.699 10.077 ( 4.934 0.000 0.000) 4.934 10.200 ( -1.691 0.000 0.000) 1.691 10.507 ( -2.044 0.000 0.000) 2.044 10.650 ( 3.025 0.000 0.000) 3.025 10.947 ( -6.656 0.000 0.000) 6.656 11.091 ( 0.228 0.000 0.000) 0.228 11.524 ( 7.075 0.000 0.000) 7.075 11.695 ( -10.168 0.000 0.000) 10.168 12.063 ( 15.751 0.000 0.000) 15.751 12.199 ( 15.098 0.000 0.000) 15.098 12.385 ( 19.726 0.000 0.000) 19.726 12.779 ( -10.476 0.000 0.000) 10.476 13.021 ( 5.075 0.000 0.000) 5.075 13.483 ( 10.953 0.000 0.000) 10.953 14.583 ( -8.403 0.000 0.000) 8.403 15.322 ( -8.534 0.000 0.000) 8.534 15.499 ( -3.315 0.000 0.000) 3.315 15.613 ( 2.070 0.000 0.000) 2.070 15.723 ( -10.119 0.000 0.000) 10.119 16.077 ( 5.769 0.000 0.000) 5.769 16.333 ( -2.310 0.000 0.000) 2.310 16.802 ( 9.418 0.000 0.000) 9.418 16.937 ( -1.602 0.000 0.000) 1.602 16.947 ( -2.785 0.000 0.000) 2.785 16.984 ( 3.489 0.000 0.000) 3.489 17.758 ( -8.367 0.000 0.000) 8.367 18.469 ( 8.080 0.000 0.000) 8.080 19.109 ( 1.063 0.000 0.000) 1.063 19.542 ( -1.989 0.000 0.000) 1.989 19.627 ( -1.725 0.000 0.000) 1.725 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 27.441 0.000 0.000) 27.441 1.455 ( 33.060 0.000 0.000) 33.060 2.336 ( 48.093 0.000 0.000) 48.093 2.429 ( 3.726 0.000 0.000) 3.726 2.993 ( -8.730 0.000 0.000) 8.730 3.329 ( -20.495 0.000 0.000) 20.495 3.359 ( 2.985 0.000 0.000) 2.985 3.393 ( 3.333 0.000 0.000) 3.333 3.402 ( -8.572 0.000 0.000) 8.572 3.667 ( 4.280 0.000 0.000) 4.280 4.108 ( -4.385 0.000 0.000) 4.385 4.563 ( -16.905 0.000 0.000) 16.905 4.669 ( -1.359 0.000 0.000) 1.359 4.688 ( -2.540 0.000 0.000) 2.540 5.434 ( 25.367 0.000 0.000) 25.367 5.497 ( -2.858 0.000 0.000) 2.858 5.608 ( 18.813 0.000 0.000) 18.813 5.820 ( 13.444 0.000 0.000) 13.444 6.899 ( 0.337 0.000 0.000) 0.337 7.138 ( -6.618 0.000 0.000) 6.618 7.274 ( -4.410 0.000 0.000) 4.410 7.585 ( 3.715 0.000 0.000) 3.715 7.741 ( -8.597 0.000 0.000) 8.597 8.024 ( -21.297 0.000 0.000) 21.297 8.174 ( -12.126 0.000 0.000) 12.126 8.279 ( -0.988 0.000 0.000) 0.988 8.440 ( -2.559 0.000 0.000) 2.559 8.743 ( 9.573 0.000 0.000) 9.573 9.164 ( -15.732 0.000 0.000) 15.732 9.681 ( 0.477 0.000 0.000) 0.477 10.142 ( 1.128 0.000 0.000) 1.128 10.170 ( -1.482 0.000 0.000) 1.482 10.440 ( -3.847 0.000 0.000) 3.847 10.734 ( 5.175 0.000 0.000) 5.175 10.801 ( -7.497 0.000 0.000) 7.497 11.092 ( 0.615 0.000 0.000) 0.615 11.502 ( -9.100 0.000 0.000) 9.100 11.747 ( 14.792 0.000 0.000) 14.792 12.161 ( -10.578 0.000 0.000) 10.578 12.518 ( 15.766 0.000 0.000) 15.766 12.859 ( 20.732 0.000 0.000) 20.732 12.929 ( 32.991 0.000 0.000) 32.991 13.157 ( 7.963 0.000 0.000) 7.963 13.702 ( 10.781 0.000 0.000) 10.781 14.380 ( -10.515 0.000 0.000) 10.515 15.084 ( -14.282 0.000 0.000) 14.282 15.442 ( -17.109 0.000 0.000) 17.109 15.462 ( 1.073 0.000 0.000) 1.073 15.621 ( -2.529 0.000 0.000) 2.529 16.215 ( 7.289 0.000 0.000) 7.289 16.330 ( 1.812 0.000 0.000) 1.812 16.874 ( -3.988 0.000 0.000) 3.988 16.900 ( -1.973 0.000 0.000) 1.973 16.990 ( 8.405 0.000 0.000) 8.405 17.069 ( 4.524 0.000 0.000) 4.524 17.510 ( -16.053 0.000 0.000) 16.053 18.678 ( 11.895 0.000 0.000) 11.895 19.138 ( 1.809 0.000 0.000) 1.809 19.486 ( -3.498 0.000 0.000) 3.498 19.573 ( -3.607 0.000 0.000) 3.607 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 24.110 0.000 0.000) 24.110 2.054 ( 25.268 0.000 0.000) 25.268 2.476 ( 0.520 0.000 0.000) 0.520 2.785 ( -11.785 0.000 0.000) 11.785 2.980 ( -12.663 0.000 0.000) 12.663 3.032 ( 18.716 0.000 0.000) 18.716 3.237 ( -7.586 0.000 0.000) 7.586 3.421 ( 2.696 0.000 0.000) 2.696 3.589 ( 16.004 0.000 0.000) 16.004 3.748 ( 3.087 0.000 0.000) 3.087 4.013 ( -4.362 0.000 0.000) 4.362 4.220 ( -15.362 0.000 0.000) 15.362 4.613 ( -4.327 0.000 0.000) 4.327 4.619 ( -3.336 0.000 0.000) 3.336 5.523 ( 7.682 0.000 0.000) 7.682 5.963 ( 26.659 0.000 0.000) 26.659 6.046 ( 23.833 0.000 0.000) 23.833 6.151 ( 18.850 0.000 0.000) 18.850 6.910 ( -16.381 0.000 0.000) 16.381 6.923 ( 2.057 0.000 0.000) 2.057 7.170 ( -6.294 0.000 0.000) 6.294 7.483 ( -15.815 0.000 0.000) 15.815 7.548 ( -11.678 0.000 0.000) 11.678 7.572 ( -23.194 0.000 0.000) 23.194 7.968 ( -3.513 0.000 0.000) 3.513 8.233 ( -3.716 0.000 0.000) 3.716 8.457 ( 3.652 0.000 0.000) 3.652 8.878 ( -11.817 0.000 0.000) 11.817 8.978 ( 12.885 0.000 0.000) 12.885 9.629 ( -5.533 0.000 0.000) 5.533 10.126 ( -2.142 0.000 0.000) 2.142 10.129 ( -2.584 0.000 0.000) 2.584 10.388 ( -0.695 0.000 0.000) 0.695 10.651 ( -7.309 0.000 0.000) 7.309 10.854 ( 6.601 0.000 0.000) 6.601 11.145 ( 5.120 0.000 0.000) 5.120 11.324 ( -8.560 0.000 0.000) 8.560 11.857 ( -16.448 0.000 0.000) 16.448 12.098 ( 19.275 0.000 0.000) 19.275 12.777 ( 7.905 0.000 0.000) 7.905 13.293 ( 17.075 0.000 0.000) 17.075 13.322 ( 7.998 0.000 0.000) 7.998 13.658 ( 37.945 0.000 0.000) 37.945 13.931 ( 12.265 0.000 0.000) 12.265 14.221 ( -3.403 0.000 0.000) 3.403 14.776 ( -15.650 0.000 0.000) 15.650 15.061 ( -20.090 0.000 0.000) 20.090 15.467 ( -13.570 0.000 0.000) 13.570 15.599 ( 13.592 0.000 0.000) 13.592 16.350 ( 5.667 0.000 0.000) 5.667 16.384 ( 2.997 0.000 0.000) 2.997 16.808 ( -2.135 0.000 0.000) 2.135 16.860 ( -2.006 0.000 0.000) 2.006 17.059 ( -13.639 0.000 0.000) 13.639 17.153 ( 3.579 0.000 0.000) 3.579 17.181 ( -4.463 0.000 0.000) 4.463 18.924 ( 12.100 0.000 0.000) 12.100 19.182 ( 2.557 0.000 0.000) 2.557 19.406 ( -4.243 0.000 0.000) 4.243 19.480 ( -5.740 0.000 0.000) 5.740 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 19.990 0.000 0.000) 19.990 2.398 ( 7.530 0.000 0.000) 7.530 2.460 ( -1.462 0.000 0.000) 1.462 2.509 ( -15.648 0.000 0.000) 15.648 2.896 ( 5.418 0.000 0.000) 5.418 3.076 ( -9.096 0.000 0.000) 9.096 3.272 ( 9.290 0.000 0.000) 9.290 3.424 ( -3.980 0.000 0.000) 3.980 3.764 ( -0.509 0.000 0.000) 0.509 3.779 ( 0.287 0.000 0.000) 0.287 3.993 ( 2.246 0.000 0.000) 2.246 4.029 ( -3.071 0.000 0.000) 3.071 4.545 ( -1.717 0.000 0.000) 1.717 4.555 ( -2.421 0.000 0.000) 2.421 5.859 ( 24.514 0.000 0.000) 24.514 6.356 ( -14.602 0.000 0.000) 14.602 6.488 ( 24.428 0.000 0.000) 24.428 6.550 ( 19.288 0.000 0.000) 19.288 6.671 ( 14.541 0.000 0.000) 14.541 6.944 ( -5.241 0.000 0.000) 5.241 6.978 ( -14.162 0.000 0.000) 14.162 7.142 ( -13.181 0.000 0.000) 13.181 7.147 ( -24.557 0.000 0.000) 24.557 7.188 ( -10.429 0.000 0.000) 10.429 8.017 ( 5.407 0.000 0.000) 5.407 8.134 ( -5.750 0.000 0.000) 5.750 8.560 ( 6.013 0.000 0.000) 6.013 8.691 ( -7.306 0.000 0.000) 7.306 9.238 ( 12.538 0.000 0.000) 12.538 9.469 ( -10.032 0.000 0.000) 10.032 10.083 ( -1.394 0.000 0.000) 1.394 10.084 ( -1.433 0.000 0.000) 1.433 10.416 ( 3.321 0.000 0.000) 3.321 10.513 ( -6.109 0.000 0.000) 6.109 10.997 ( 7.559 0.000 0.000) 7.559 11.156 ( -8.152 0.000 0.000) 8.152 11.300 ( 10.083 0.000 0.000) 10.083 11.545 ( -14.078 0.000 0.000) 14.078 12.485 ( 18.073 0.000 0.000) 18.073 12.771 ( -8.587 0.000 0.000) 8.587 13.458 ( 4.850 0.000 0.000) 4.850 13.487 ( 2.969 0.000 0.000) 2.969 14.192 ( 13.338 0.000 0.000) 13.338 14.300 ( 11.029 0.000 0.000) 11.029 14.383 ( 28.608 0.000 0.000) 28.608 14.470 ( -14.496 0.000 0.000) 14.496 14.680 ( -12.668 0.000 0.000) 12.668 15.065 ( -25.763 0.000 0.000) 25.763 16.008 ( 25.644 0.000 0.000) 25.644 16.426 ( -0.293 0.000 0.000) 0.293 16.431 ( 2.282 0.000 0.000) 2.282 16.576 ( -26.170 0.000 0.000) 26.170 16.794 ( 0.583 0.000 0.000) 0.583 16.820 ( -1.802 0.000 0.000) 1.802 17.207 ( 1.630 0.000 0.000) 1.630 17.212 ( 1.218 0.000 0.000) 1.218 19.153 ( 10.442 0.000 0.000) 10.442 19.242 ( 3.471 0.000 0.000) 3.471 19.320 ( -4.175 0.000 0.000) 4.175 19.340 ( -8.104 0.000 0.000) 8.104 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 30.808 0.000) 30.808 0.700 ( 0.000 36.151 0.000) 36.151 1.054 ( 0.000 53.246 0.000) 53.246 2.351 ( 0.000 2.662 0.000) 2.662 3.123 ( 0.000 -4.329 0.000) 4.329 3.242 ( 0.000 -4.442 0.000) 4.442 3.270 ( 0.000 -10.382 0.000) 10.382 3.593 ( 0.000 -1.627 0.000) 1.627 3.632 ( 0.000 5.610 0.000) 5.610 4.035 ( 0.000 1.575 0.000) 1.575 4.082 ( 0.000 -10.724 0.000) 10.724 4.752 ( 0.000 3.769 0.000) 3.769 4.762 ( 0.000 6.249 0.000) 6.249 4.877 ( 0.000 -7.644 0.000) 7.644 5.190 ( 0.000 -1.468 0.000) 1.468 5.569 ( 0.000 -2.592 0.000) 2.592 5.645 ( 0.000 8.479 0.000) 8.479 5.653 ( 0.000 9.729 0.000) 9.729 6.962 ( 0.000 -11.097 0.000) 11.097 6.982 ( 0.000 7.610 0.000) 7.610 7.133 ( 0.000 -8.721 0.000) 8.721 7.796 ( 0.000 3.013 0.000) 3.013 8.210 ( 0.000 -7.285 0.000) 7.285 8.212 ( 0.000 -0.228 0.000) 0.228 8.395 ( 0.000 -1.537 0.000) 1.537 8.560 ( 0.000 -1.591 0.000) 1.591 8.600 ( 0.000 2.369 0.000) 2.369 9.412 ( 0.000 -0.084 0.000) 0.084 9.514 ( 0.000 -3.303 0.000) 3.303 9.516 ( 0.000 -6.863 0.000) 6.863 9.628 ( 0.000 2.468 0.000) 2.468 9.988 ( 0.000 -1.310 0.000) 1.310 10.224 ( 0.000 -0.011 0.000) 0.011 10.425 ( 0.000 -6.221 0.000) 6.221 10.876 ( 0.000 17.174 0.000) 17.174 10.988 ( 0.000 -6.324 0.000) 6.324 11.002 ( 0.000 -3.831 0.000) 3.831 11.857 ( 0.000 -1.431 0.000) 1.431 12.040 ( 0.000 9.508 0.000) 9.508 12.139 ( 0.000 22.606 0.000) 22.606 12.211 ( 0.000 3.422 0.000) 3.422 12.956 ( 0.000 -1.045 0.000) 1.045 13.252 ( 0.000 -7.698 0.000) 7.698 14.014 ( 0.000 2.797 0.000) 2.797 14.734 ( 0.000 5.813 0.000) 5.813 15.116 ( 0.000 -16.866 0.000) 16.866 15.379 ( 0.000 -4.145 0.000) 4.145 15.465 ( 0.000 -12.629 0.000) 12.629 15.762 ( 0.000 13.776 0.000) 13.776 16.305 ( 0.000 4.422 0.000) 4.422 16.379 ( 0.000 -0.211 0.000) 0.211 16.516 ( 0.000 -1.849 0.000) 1.849 16.627 ( 0.000 -4.098 0.000) 4.098 16.918 ( 0.000 -3.235 0.000) 3.235 16.931 ( 0.000 -3.477 0.000) 3.477 17.761 ( 0.000 -8.233 0.000) 8.233 18.415 ( 0.000 3.309 0.000) 3.309 18.905 ( 0.000 -2.408 0.000) 2.408 19.208 ( 0.000 10.284 0.000) 10.284 19.668 ( 0.000 2.203 0.000) 2.203 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 19.712 20.198 0.000) 28.223 0.839 ( 23.049 17.402 0.000) 28.881 1.702 ( 45.195 36.550 0.000) 58.125 2.372 ( 1.936 1.312 0.000) 2.339 3.076 ( -4.904 -5.087 0.000) 7.066 3.232 ( -3.639 -11.948 0.000) 12.490 3.255 ( 1.245 -4.993 0.000) 5.145 3.528 ( -6.175 -2.648 0.000) 6.719 3.657 ( 2.350 6.137 0.000) 6.571 3.843 ( -13.891 6.123 0.000) 15.181 4.065 ( -2.477 -9.413 0.000) 9.734 4.720 ( -6.907 -3.878 0.000) 7.921 4.826 ( -1.288 2.352 0.000) 2.681 4.904 ( 5.976 5.960 0.000) 8.440 5.253 ( -9.843 25.725 0.000) 27.544 5.296 ( 10.275 -1.528 0.000) 10.388 5.555 ( -1.174 0.256 0.000) 1.202 5.700 ( 5.633 7.913 0.000) 9.713 6.950 ( -2.267 3.464 0.000) 4.140 7.116 ( 7.707 -14.828 0.000) 16.712 7.158 ( 1.391 -3.778 0.000) 4.026 7.785 ( -8.318 7.779 0.000) 11.388 7.868 ( -9.455 11.148 0.000) 14.618 8.204 ( -1.238 -7.392 0.000) 7.495 8.228 ( -5.749 -8.086 0.000) 9.921 8.448 ( -13.113 3.657 0.000) 13.613 8.520 ( -6.194 -1.740 0.000) 6.434 8.859 ( -2.941 16.952 0.000) 17.205 9.378 ( -13.126 -8.694 0.000) 15.744 9.660 ( 3.634 3.498 0.000) 5.044 10.064 ( 5.171 -1.395 0.000) 5.356 10.153 ( 0.011 -5.949 0.000) 5.949 10.378 ( 1.430 -6.788 0.000) 6.937 10.881 ( 17.766 -1.115 0.000) 17.801 10.895 ( -6.373 -4.616 0.000) 7.868 10.906 ( 20.025 -14.751 0.000) 24.872 11.028 ( 0.290 -5.185 0.000) 5.193 11.851 ( -10.513 14.179 0.000) 17.652 12.075 ( 18.494 -1.588 0.000) 18.562 12.368 ( 14.377 16.945 0.000) 22.222 12.411 ( 19.698 3.160 0.000) 19.950 13.001 ( 4.244 -1.867 0.000) 4.637 13.129 ( -16.730 9.560 0.000) 19.269 13.557 ( -6.840 10.750 0.000) 12.741 14.623 ( -9.703 3.635 0.000) 10.362 15.254 ( 0.210 -21.870 0.000) 21.871 15.300 ( -8.096 -2.240 0.000) 8.400 15.521 ( 4.761 -10.683 0.000) 11.696 15.768 ( -3.891 7.105 0.000) 8.101 16.221 ( 0.222 10.542 0.000) 10.544 16.339 ( -1.648 0.764 0.000) 1.816 16.716 ( 4.968 -14.963 0.000) 15.767 16.725 ( 6.244 -6.130 0.000) 8.750 16.902 ( -1.846 -3.789 0.000) 4.215 16.957 ( 4.217 -2.821 0.000) 5.074 17.679 ( -8.098 -7.999 0.000) 11.383 18.500 ( 8.053 3.281 0.000) 8.695 19.218 ( 0.897 10.111 0.000) 10.151 19.247 ( 15.456 -16.857 0.000) 22.870 19.652 ( -1.573 2.365 0.000) 2.840 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 22.978 9.471 0.000) 24.853 1.419 ( 30.596 0.377 0.000) 30.598 2.423 ( 2.850 -1.026 0.000) 3.029 2.604 ( 40.268 22.620 0.000) 46.187 2.920 ( -10.533 -7.236 0.000) 12.779 3.128 ( -6.440 -10.916 0.000) 12.674 3.287 ( 1.116 -6.427 0.000) 6.524 3.376 ( -7.281 -2.662 0.000) 7.753 3.609 ( -6.605 12.336 0.000) 13.993 3.707 ( 2.130 3.955 0.000) 4.492 3.990 ( -4.879 -10.330 0.000) 11.424 4.465 ( -16.285 -7.034 0.000) 17.739 4.822 ( -6.363 11.523 0.000) 13.163 4.839 ( 0.949 11.936 0.000) 11.974 5.497 ( 22.527 6.304 0.000) 23.393 5.539 ( 0.174 5.131 0.000) 5.134 5.591 ( 18.557 -1.795 0.000) 18.644 5.882 ( 12.540 6.315 0.000) 14.040 6.908 ( -2.054 -0.759 0.000) 2.190 7.153 ( -2.423 3.156 0.000) 3.979 7.204 ( 0.992 -8.363 0.000) 8.422 7.639 ( -2.360 5.451 0.000) 5.941 7.764 ( -8.758 2.277 0.000) 9.049 8.026 ( -18.497 -0.468 0.000) 18.503 8.083 ( -9.626 -7.821 0.000) 12.403 8.255 ( -3.202 -1.720 0.000) 3.635 8.382 ( -4.957 -3.830 0.000) 6.264 8.917 ( 7.121 14.487 0.000) 16.143 9.065 ( -16.513 -9.763 0.000) 19.183 9.714 ( 0.684 3.066 0.000) 3.142 10.139 ( 1.832 -0.565 0.000) 1.917 10.141 ( -0.758 -3.280 0.000) 3.366 10.370 ( -1.276 -4.104 0.000) 4.297 10.753 ( -7.346 -4.084 0.000) 8.404 10.943 ( 3.311 17.932 0.000) 18.235 11.030 ( 0.562 -5.265 0.000) 5.295 11.372 ( 15.181 -25.363 0.000) 29.559 11.650 ( -9.503 13.918 0.000) 16.853 12.378 ( 4.154 8.627 0.000) 9.575 12.667 ( 14.491 14.538 0.000) 20.526 12.909 ( 17.686 3.314 0.000) 17.994 13.005 ( 23.674 10.246 0.000) 25.796 13.114 ( 6.495 -4.132 0.000) 7.698 13.632 ( 8.425 -6.505 0.000) 10.644 14.398 ( -11.463 1.226 0.000) 11.529 15.076 ( -13.338 -0.814 0.000) 13.363 15.207 ( -3.230 -17.144 0.000) 17.446 15.596 ( 1.269 -3.847 0.000) 4.051 15.599 ( -9.903 7.310 0.000) 12.309 16.293 ( 5.196 7.238 0.000) 8.910 16.348 ( 2.348 1.985 0.000) 3.075 16.724 ( -5.563 -11.834 0.000) 13.076 16.734 ( -1.136 -13.965 0.000) 14.011 16.960 ( 6.552 -3.877 0.000) 7.613 17.059 ( 4.987 -1.913 0.000) 5.341 17.437 ( -15.815 -7.584 0.000) 17.539 18.710 ( 11.981 3.372 0.000) 12.446 19.242 ( 1.533 9.656 0.000) 9.777 19.403 ( 2.469 -7.316 0.000) 7.721 19.603 ( -3.386 2.773 0.000) 4.377 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 20.917 2.366 0.000) 21.051 1.997 ( 25.605 -4.263 0.000) 25.958 2.470 ( 1.550 -1.059 0.000) 1.877 2.670 ( -13.336 -8.735 0.000) 15.942 2.991 ( -6.516 -1.328 0.000) 6.650 3.137 ( 11.555 8.502 0.000) 14.346 3.190 ( -7.308 -4.494 0.000) 8.580 3.366 ( 2.775 -5.517 0.000) 6.175 3.678 ( 11.485 7.603 0.000) 13.774 3.725 ( -0.521 -1.284 0.000) 1.386 3.875 ( -6.342 -11.076 0.000) 12.763 4.120 ( -16.461 -6.424 0.000) 17.670 4.761 ( 1.338 13.113 0.000) 13.181 4.851 ( 0.412 19.462 0.000) 19.466 5.603 ( 7.863 8.220 0.000) 11.375 5.994 ( 25.769 2.996 0.000) 25.943 6.022 ( 23.558 -2.421 0.000) 23.682 6.197 ( 18.202 4.559 0.000) 18.764 6.817 ( -9.596 -4.289 0.000) 10.511 7.077 ( -3.351 10.548 0.000) 11.067 7.156 ( -5.933 -2.628 0.000) 6.489 7.503 ( -16.035 1.442 0.000) 16.100 7.580 ( -8.887 4.015 0.000) 9.752 7.600 ( -22.049 2.819 0.000) 22.228 7.886 ( -4.549 -7.902 0.000) 9.117 8.190 ( -4.524 -4.319 0.000) 6.255 8.369 ( 2.839 -7.442 0.000) 7.965 8.764 ( -12.264 -11.262 0.000) 16.651 9.107 ( 10.850 11.549 0.000) 15.846 9.673 ( -4.716 4.034 0.000) 6.206 10.119 ( -1.490 -1.409 0.000) 2.051 10.138 ( -1.576 0.713 0.000) 1.730 10.354 ( 0.284 -2.215 0.000) 2.234 10.609 ( -6.847 -3.539 0.000) 7.708 11.025 ( 4.837 16.336 0.000) 17.037 11.075 ( 4.155 -5.866 0.000) 7.189 11.469 ( -8.385 13.506 0.000) 15.897 11.532 ( -0.184 -21.005 0.000) 21.006 12.399 ( 5.389 18.330 0.000) 19.106 12.899 ( 6.567 11.963 0.000) 13.647 13.239 ( 13.660 -5.536 0.000) 14.739 13.246 ( 6.390 -7.643 0.000) 9.962 13.702 ( 36.024 3.981 0.000) 36.244 13.851 ( 13.891 -6.732 0.000) 15.437 14.213 ( -5.498 -1.201 0.000) 5.627 14.799 ( -13.177 2.434 0.000) 13.400 15.068 ( -12.072 -0.984 0.000) 12.112 15.515 ( -10.489 4.383 0.000) 11.368 15.555 ( 9.376 -3.235 0.000) 9.918 16.387 ( 3.603 2.447 0.000) 4.356 16.407 ( 2.648 2.069 0.000) 3.360 16.614 ( -3.512 -17.391 0.000) 17.743 16.702 ( -1.878 -12.920 0.000) 13.056 17.001 ( -16.378 -6.216 0.000) 17.518 17.123 ( -1.759 -5.767 0.000) 6.030 17.143 ( 3.208 -1.859 0.000) 3.708 18.958 ( 12.214 3.571 0.000) 12.725 19.278 ( 1.977 8.805 0.000) 9.024 19.407 ( -1.268 -0.275 0.000) 1.297 19.513 ( -5.556 3.240 0.000) 6.431 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 16.607 -3.548 0.000) 16.982 2.375 ( 1.592 -2.077 0.000) 2.617 2.421 ( -3.193 -8.208 0.000) 8.807 2.484 ( -0.257 0.970 0.000) 1.003 2.915 ( 1.192 1.867 0.000) 2.215 3.039 ( -8.113 -3.018 0.000) 8.656 3.289 ( 6.701 0.745 0.000) 6.742 3.393 ( -1.753 -4.143 0.000) 4.498 3.699 ( -0.761 -6.915 0.000) 6.957 3.750 ( -5.307 -9.854 0.000) 11.192 3.823 ( 2.143 -4.945 0.000) 5.389 3.876 ( -6.238 -7.222 0.000) 9.543 4.834 ( 3.282 23.361 0.000) 23.590 4.859 ( 0.158 24.874 0.000) 24.874 5.918 ( 22.989 5.829 0.000) 23.716 6.396 ( -15.729 3.865 0.000) 16.196 6.508 ( 24.440 2.004 0.000) 24.522 6.517 ( 21.306 -4.739 0.000) 21.827 6.660 ( 14.545 1.453 0.000) 14.617 6.932 ( -16.890 -3.323 0.000) 17.214 6.981 ( -12.088 3.362 0.000) 12.547 7.133 ( -21.032 0.038 0.000) 21.032 7.248 ( -6.231 9.871 0.000) 11.673 7.323 ( -10.330 10.448 0.000) 14.692 7.935 ( 5.998 -8.458 0.000) 10.369 8.070 ( -6.875 -6.708 0.000) 9.606 8.458 ( 5.403 -9.331 0.000) 10.782 8.578 ( -6.841 -10.865 0.000) 12.840 9.330 ( 10.928 8.464 0.000) 13.823 9.533 ( -8.835 5.890 0.000) 10.618 10.093 ( -0.674 0.529 0.000) 0.857 10.101 ( -1.452 1.274 0.000) 1.932 10.390 ( 3.283 -1.892 0.000) 3.789 10.481 ( -5.599 -2.553 0.000) 6.153 11.134 ( 5.683 13.050 0.000) 14.234 11.182 ( 4.451 -4.194 0.000) 6.116 11.328 ( -3.826 10.061 0.000) 10.764 11.417 ( -8.425 -10.779 0.000) 13.681 12.623 ( 14.241 12.542 0.000) 18.976 12.875 ( -8.575 10.208 0.000) 13.332 13.361 ( 4.388 -10.062 0.000) 10.977 13.392 ( 2.132 -10.092 0.000) 10.314 14.067 ( 9.886 -10.055 0.000) 14.101 14.178 ( -0.727 -8.600 0.000) 8.631 14.430 ( 27.808 5.027 0.000) 28.259 14.599 ( -4.668 9.303 0.000) 10.408 14.827 ( -5.643 12.215 0.000) 13.456 15.158 ( -23.968 9.313 0.000) 25.714 15.937 ( 25.745 -7.490 0.000) 26.812 16.430 ( -1.957 -2.668 0.000) 3.308 16.432 ( 1.026 -2.930 0.000) 3.104 16.505 ( -25.720 -8.017 0.000) 26.940 16.609 ( 2.097 -13.903 0.000) 14.061 16.659 ( -2.422 -11.719 0.000) 11.967 17.173 ( 1.960 -4.148 0.000) 4.588 17.184 ( 0.798 -2.847 0.000) 2.957 19.189 ( 10.471 3.680 0.000) 11.099 19.321 ( 2.100 7.061 0.000) 7.367 19.369 ( -2.243 4.203 0.000) 4.764 19.378 ( -7.835 3.636 0.000) 8.638 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 28.802 0.000) 28.802 1.372 ( 0.000 33.951 0.000) 33.951 1.988 ( 0.000 42.809 0.000) 42.809 2.344 ( 0.000 -5.646 0.000) 5.646 2.994 ( 0.000 -17.876 0.000) 17.876 3.035 ( 0.000 -4.295 0.000) 4.295 3.186 ( 0.000 0.238 0.000) 0.238 3.523 ( 0.000 -5.044 0.000) 5.044 3.806 ( 0.000 11.675 0.000) 11.675 3.865 ( 0.000 -10.042 0.000) 10.042 4.030 ( 0.000 -3.060 0.000) 3.060 4.631 ( 0.000 -13.342 0.000) 13.342 4.892 ( 0.000 6.015 0.000) 6.015 4.917 ( 0.000 9.563 0.000) 9.563 5.149 ( 0.000 -2.750 0.000) 2.750 5.487 ( 0.000 -6.261 0.000) 6.261 5.867 ( 0.000 14.514 0.000) 14.514 5.874 ( 0.000 12.478 0.000) 12.478 6.689 ( 0.000 -16.303 0.000) 16.303 6.895 ( 0.000 -15.744 0.000) 15.744 7.186 ( 0.000 13.334 0.000) 13.334 7.871 ( 0.000 4.745 0.000) 4.745 8.023 ( 0.000 -11.877 0.000) 11.877 8.183 ( 0.000 -3.323 0.000) 3.323 8.378 ( 0.000 0.345 0.000) 0.345 8.519 ( 0.000 -2.603 0.000) 2.603 8.677 ( 0.000 5.902 0.000) 5.902 9.316 ( 0.000 -12.861 0.000) 12.861 9.410 ( 0.000 -0.112 0.000) 0.112 9.453 ( 0.000 -2.627 0.000) 2.627 9.709 ( 0.000 5.167 0.000) 5.167 9.952 ( 0.000 -2.437 0.000) 2.437 10.226 ( 0.000 0.344 0.000) 0.344 10.332 ( 0.000 -3.769 0.000) 3.769 10.879 ( 0.000 -4.478 0.000) 4.478 10.916 ( 0.000 -4.640 0.000) 4.640 11.220 ( 0.000 17.860 0.000) 17.860 11.812 ( 0.000 -3.471 0.000) 3.471 12.270 ( 0.000 13.605 0.000) 13.605 12.313 ( 0.000 7.402 0.000) 7.402 12.644 ( 0.000 23.352 0.000) 23.352 12.966 ( 0.000 7.520 0.000) 7.520 13.047 ( 0.000 -13.277 0.000) 13.277 14.099 ( 0.000 6.296 0.000) 6.296 14.791 ( 0.000 -16.621 0.000) 16.621 14.880 ( 0.000 8.918 0.000) 8.918 15.001 ( 0.000 -31.668 0.000) 31.668 15.325 ( 0.000 -5.032 0.000) 5.032 16.008 ( 0.000 11.827 0.000) 11.827 16.382 ( 0.000 0.894 0.000) 0.894 16.417 ( 0.000 6.995 0.000) 6.995 16.461 ( 0.000 -3.971 0.000) 3.971 16.566 ( 0.000 -2.664 0.000) 2.664 16.830 ( 0.000 -5.761 0.000) 5.761 16.900 ( 0.000 1.812 0.000) 1.812 17.549 ( 0.000 -13.325 0.000) 13.325 18.502 ( 0.000 5.570 0.000) 5.570 18.839 ( 0.000 -4.493 0.000) 4.493 19.429 ( 0.000 11.493 0.000) 11.493 19.709 ( 0.000 1.472 0.000) 1.472 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 9.786 24.496 0.000) 26.378 1.328 ( 2.992 29.895 0.000) 30.045 2.346 ( 0.327 -5.736 0.000) 5.746 2.389 ( 30.334 31.003 0.000) 43.374 2.893 ( -7.333 -15.723 0.000) 17.349 3.041 ( -1.340 -4.683 0.000) 4.871 3.176 ( -0.671 -1.564 0.000) 1.702 3.455 ( -6.300 -5.012 0.000) 8.050 3.818 ( 0.792 10.493 0.000) 10.523 3.820 ( -3.215 -6.864 0.000) 7.579 3.996 ( -4.210 1.584 0.000) 4.499 4.546 ( -8.168 -11.868 0.000) 14.407 4.949 ( 5.278 7.735 0.000) 9.364 4.993 ( 5.793 4.626 0.000) 7.414 5.253 ( 10.084 -2.916 0.000) 10.497 5.408 ( -5.709 -4.676 0.000) 7.380 5.793 ( -2.604 19.577 0.000) 19.749 5.910 ( 4.400 13.824 0.000) 14.507 6.804 ( 8.481 -17.560 0.000) 19.501 6.863 ( -2.516 -12.645 0.000) 12.893 7.233 ( 3.820 11.543 0.000) 12.158 7.847 ( -3.280 2.347 0.000) 4.033 8.025 ( -0.155 -11.095 0.000) 11.096 8.048 ( -15.998 -0.591 0.000) 16.009 8.136 ( -7.626 4.177 0.000) 8.695 8.472 ( -6.640 -3.349 0.000) 7.437 8.539 ( -12.472 6.067 0.000) 13.870 9.159 ( -1.513 14.069 0.000) 14.150 9.164 ( -13.760 -13.058 0.000) 18.970 9.742 ( 2.865 4.984 0.000) 5.749 9.939 ( 11.143 -14.897 0.000) 18.603 10.021 ( 5.085 -3.089 0.000) 5.950 10.303 ( 3.372 -1.289 0.000) 3.610 10.499 ( 21.170 -10.890 0.000) 23.807 10.812 ( -5.249 -3.222 0.000) 6.160 10.924 ( -0.157 -5.410 0.000) 5.412 11.261 ( 4.058 19.884 0.000) 20.294 12.011 ( 17.512 -5.131 0.000) 18.248 12.164 ( -8.377 17.301 0.000) 19.222 12.501 ( 18.396 6.253 0.000) 19.430 12.750 ( 8.010 13.816 0.000) 15.970 13.011 ( 4.488 11.012 0.000) 11.891 13.078 ( 3.424 -9.354 0.000) 9.961 13.815 ( -19.599 13.824 0.000) 23.983 14.657 ( -13.716 -4.380 0.000) 14.399 14.817 ( -0.310 -22.374 0.000) 22.377 15.193 ( 8.787 -15.325 0.000) 17.666 15.256 ( -4.549 -6.518 0.000) 7.948 15.942 ( -6.595 10.062 0.000) 12.031 16.370 ( 0.197 2.709 0.000) 2.716 16.414 ( 0.053 7.691 0.000) 7.691 16.493 ( 1.440 -7.279 0.000) 7.420 16.642 ( 5.082 -2.859 0.000) 5.831 16.844 ( -4.827 -0.346 0.000) 4.839 16.880 ( 4.874 -5.225 0.000) 7.145 17.471 ( -7.807 -13.225 0.000) 15.357 18.590 ( 8.248 5.877 0.000) 10.128 19.014 ( 13.370 -9.092 0.000) 16.168 19.434 ( 0.491 11.239 0.000) 11.250 19.697 ( -1.168 1.738 0.000) 2.094 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 14.110 15.703 0.000) 21.111 1.557 ( 17.804 13.904 0.000) 22.590 2.362 ( 1.426 -6.265 0.000) 6.425 2.701 ( -8.454 -16.163 0.000) 18.240 2.936 ( 6.399 1.721 0.000) 6.627 3.039 ( 11.531 7.929 0.000) 13.994 3.165 ( -0.732 -4.866 0.000) 4.921 3.304 ( -7.298 -4.737 0.000) 8.700 3.791 ( 1.839 3.603 0.000) 4.046 3.812 ( -1.914 6.968 0.000) 7.226 3.863 ( -8.288 3.467 0.000) 8.984 4.316 ( -14.081 -8.478 0.000) 16.437 4.992 ( -3.484 6.837 0.000) 7.674 5.086 ( 7.808 12.871 0.000) 15.055 5.509 ( 15.097 -3.647 0.000) 15.531 5.540 ( 17.892 -3.560 0.000) 18.243 5.826 ( 5.711 20.668 0.000) 21.442 6.054 ( 10.066 11.461 0.000) 15.254 6.812 ( -2.534 -9.072 0.000) 9.420 6.962 ( 6.493 -16.114 0.000) 17.373 7.306 ( 2.818 12.241 0.000) 12.561 7.717 ( -7.544 1.735 0.000) 7.741 7.828 ( -8.559 1.502 0.000) 8.690 7.965 ( -9.914 -0.711 0.000) 9.939 7.972 ( -7.703 -5.561 0.000) 9.500 8.254 ( -12.674 2.199 0.000) 12.863 8.305 ( -8.080 -4.523 0.000) 9.260 8.823 ( -18.659 -14.641 0.000) 23.717 9.220 ( 5.870 16.353 0.000) 17.375 9.789 ( 0.952 4.712 0.000) 4.808 10.026 ( 1.491 -8.956 0.000) 9.079 10.105 ( 2.645 -3.353 0.000) 4.271 10.340 ( 1.082 1.305 0.000) 1.695 10.691 ( -6.359 -1.435 0.000) 6.519 10.913 ( 15.582 -19.868 0.000) 25.249 10.917 ( -0.001 -6.248 0.000) 6.248 11.365 ( 5.472 23.133 0.000) 23.771 11.984 ( -9.023 19.992 0.000) 21.934 12.391 ( 16.902 -5.934 0.000) 17.914 12.903 ( 6.614 -2.503 0.000) 7.072 12.968 ( 20.803 3.358 0.000) 21.072 13.135 ( 6.831 18.016 0.000) 19.268 13.228 ( 15.587 5.477 0.000) 16.521 13.554 ( -2.388 4.620 0.000) 5.201 14.381 ( -13.187 -4.788 0.000) 14.030 14.802 ( 1.071 -24.324 0.000) 24.348 15.059 ( -10.176 -0.679 0.000) 10.199 15.417 ( 9.356 -14.573 0.000) 17.318 15.755 ( -11.042 9.080 0.000) 14.295 16.371 ( -4.384 -7.055 0.000) 8.307 16.411 ( 3.560 4.665 0.000) 5.868 16.550 ( 4.162 3.102 0.000) 5.191 16.581 ( -12.105 -0.440 0.000) 12.113 16.847 ( 5.552 -7.490 0.000) 9.323 16.992 ( 5.266 -4.984 0.000) 7.251 17.234 ( -15.623 -13.084 0.000) 20.378 18.804 ( 12.211 6.301 0.000) 13.741 19.250 ( 9.034 -8.166 0.000) 12.178 19.447 ( 0.698 10.438 0.000) 10.462 19.659 ( -2.717 2.473 0.000) 3.674 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 13.565 6.790 0.000) 15.169 1.958 ( 20.114 1.282 0.000) 20.154 2.404 ( 2.556 -6.591 0.000) 7.069 2.503 ( -10.489 -9.208 0.000) 13.957 2.922 ( -0.559 -3.988 0.000) 4.027 3.098 ( -5.359 -4.009 0.000) 6.693 3.221 ( 1.902 -3.614 0.000) 4.084 3.239 ( 0.421 -6.868 0.000) 6.881 3.690 ( -8.146 0.113 0.000) 8.146 3.732 ( -5.782 2.256 0.000) 6.206 3.859 ( 0.967 5.311 0.000) 5.398 4.014 ( -14.688 -5.110 0.000) 15.551 5.073 ( 12.622 18.841 0.000) 22.678 5.243 ( 7.285 20.070 0.000) 21.351 5.778 ( 10.027 6.181 0.000) 11.779 5.951 ( 22.225 -5.172 0.000) 22.819 6.095 ( 21.246 9.693 0.000) 23.353 6.316 ( 15.610 7.653 0.000) 17.385 6.737 ( -5.869 -4.551 0.000) 7.427 7.034 ( -0.693 -10.554 0.000) 10.577 7.322 ( -2.554 15.048 0.000) 15.263 7.511 ( -15.484 -0.374 0.000) 15.488 7.669 ( -18.105 4.115 0.000) 18.567 7.689 ( -2.377 -1.863 0.000) 3.020 7.730 ( -12.841 1.276 0.000) 12.904 8.081 ( -7.936 -6.557 0.000) 10.294 8.216 ( -0.511 -8.230 0.000) 8.246 8.480 ( -13.200 -17.653 0.000) 22.042 9.362 ( 7.763 14.313 0.000) 16.283 9.766 ( -3.260 5.532 0.000) 6.421 10.046 ( 0.701 -6.745 0.000) 6.781 10.122 ( -0.790 -3.180 0.000) 3.277 10.361 ( 1.354 3.935 0.000) 4.162 10.570 ( -5.496 0.711 0.000) 5.542 10.942 ( 2.680 -7.803 0.000) 8.250 11.108 ( 4.173 -18.524 0.000) 18.988 11.465 ( 4.430 24.041 0.000) 24.446 11.810 ( -8.028 21.576 0.000) 23.021 12.650 ( 10.505 3.584 0.000) 11.100 13.016 ( 4.652 -13.043 0.000) 13.847 13.124 ( 1.398 -2.626 0.000) 2.975 13.224 ( 0.382 17.826 0.000) 17.830 13.643 ( 14.032 -9.264 0.000) 16.814 13.890 ( 34.850 10.774 0.000) 36.478 14.150 ( -9.254 -6.187 0.000) 11.132 14.875 ( -7.022 5.758 0.000) 9.081 14.924 ( 10.425 -15.118 0.000) 18.364 15.555 ( 2.606 -4.184 0.000) 4.929 15.561 ( -5.367 5.028 0.000) 7.354 16.264 ( -5.787 -15.271 0.000) 16.330 16.267 ( -16.465 -10.338 0.000) 19.442 16.503 ( 4.798 5.312 0.000) 7.158 16.623 ( 2.505 5.965 0.000) 6.470 16.821 ( -21.623 -12.325 0.000) 24.889 16.982 ( 3.520 -8.556 0.000) 9.252 17.072 ( 2.585 -5.391 0.000) 5.979 19.055 ( 12.219 6.281 0.000) 13.739 19.381 ( 4.361 -2.682 0.000) 5.120 19.459 ( 0.438 8.924 0.000) 8.934 19.584 ( -4.832 3.517 0.000) 5.976 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 11.173 -0.481 0.000) 11.183 2.254 ( -2.992 -6.869 0.000) 7.492 2.339 ( 5.010 -2.592 0.000) 5.641 2.440 ( -0.325 -6.170 0.000) 6.178 2.936 ( 1.832 -0.064 0.000) 1.833 3.001 ( -4.243 -0.383 0.000) 4.260 3.231 ( 0.777 -8.606 0.000) 8.641 3.247 ( -0.330 -9.502 0.000) 9.508 3.570 ( -2.583 -1.751 0.000) 3.121 3.610 ( -5.398 -0.844 0.000) 5.463 3.794 ( -5.236 -3.268 0.000) 6.172 3.804 ( -4.112 -1.314 0.000) 4.317 5.328 ( 7.668 26.673 0.000) 27.754 5.357 ( 3.269 25.662 0.000) 25.869 6.046 ( 18.402 5.903 0.000) 19.325 6.349 ( 5.352 -9.617 0.000) 11.006 6.528 ( 2.788 6.996 0.000) 7.531 6.565 ( 22.488 4.203 0.000) 22.877 6.724 ( 16.953 3.709 0.000) 17.354 6.880 ( -13.433 -2.101 0.000) 13.596 7.073 ( -20.821 6.844 0.000) 21.917 7.136 ( -20.584 0.267 0.000) 20.586 7.474 ( -0.987 12.958 0.000) 12.995 7.527 ( -6.070 7.944 0.000) 9.997 7.720 ( 4.975 -11.098 0.000) 12.163 7.879 ( -10.354 -13.074 0.000) 16.677 8.249 ( 2.902 -11.831 0.000) 12.182 8.319 ( -4.394 -15.326 0.000) 15.944 9.520 ( 7.734 10.724 0.000) 13.222 9.665 ( -6.408 7.555 0.000) 9.906 10.062 ( 1.039 -4.812 0.000) 4.923 10.091 ( -1.793 -3.487 0.000) 3.921 10.402 ( 2.765 4.549 0.000) 5.323 10.472 ( -4.161 3.085 0.000) 5.180 11.021 ( 4.730 -10.644 0.000) 11.648 11.108 ( -3.137 -14.714 0.000) 15.044 11.553 ( 4.742 24.049 0.000) 24.512 11.665 ( -6.375 22.992 0.000) 23.860 12.876 ( 12.073 8.522 0.000) 14.778 13.073 ( -1.820 -14.423 0.000) 14.538 13.134 ( -0.278 -11.878 0.000) 11.882 13.140 ( -5.185 11.532 0.000) 12.644 13.859 ( 8.190 -11.887 0.000) 14.435 14.001 ( -6.438 -10.424 0.000) 12.252 14.581 ( 27.811 10.876 0.000) 29.862 14.800 ( -1.328 12.264 0.000) 12.336 15.070 ( 5.039 11.835 0.000) 12.863 15.393 ( -19.547 14.283 0.000) 24.209 15.725 ( 22.098 -13.941 0.000) 26.128 16.059 ( -2.811 -27.513 0.000) 27.656 16.151 ( -4.902 -20.452 0.000) 21.031 16.303 ( -26.877 -12.566 0.000) 29.670 16.592 ( 3.672 5.774 0.000) 6.843 16.640 ( -0.856 6.050 0.000) 6.110 17.060 ( 3.003 -7.375 0.000) 7.963 17.094 ( -0.359 -6.321 0.000) 6.332 19.283 ( 10.169 5.686 0.000) 11.651 19.441 ( 1.809 2.504 0.000) 3.089 19.458 ( -4.274 5.751 0.000) 7.166 19.464 ( -3.530 5.293 0.000) 6.362 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.000 25.100 0.000) 25.100 1.987 ( 0.000 30.002 0.000) 30.002 2.108 ( 0.000 -18.209 0.000) 18.209 2.462 ( 0.000 -11.367 0.000) 11.367 2.755 ( 0.000 9.560 0.000) 9.560 2.951 ( 0.000 -5.793 0.000) 5.793 3.264 ( 0.000 6.888 0.000) 6.888 3.405 ( 0.000 -7.160 0.000) 7.160 3.771 ( 0.000 1.718 0.000) 1.718 3.905 ( 0.000 -9.226 0.000) 9.226 4.061 ( 0.000 14.674 0.000) 14.674 4.351 ( 0.000 -15.325 0.000) 15.325 5.001 ( 0.000 5.080 0.000) 5.080 5.086 ( 0.000 -3.850 0.000) 3.850 5.117 ( 0.000 11.152 0.000) 11.152 5.327 ( 0.000 -10.220 0.000) 10.220 6.116 ( 0.000 12.966 0.000) 12.966 6.188 ( 0.000 18.560 0.000) 18.560 6.381 ( 0.000 -15.116 0.000) 15.116 6.555 ( 0.000 -19.211 0.000) 19.211 7.470 ( 0.000 15.775 0.000) 15.775 7.766 ( 0.000 -14.778 0.000) 14.778 7.974 ( 0.000 5.913 0.000) 5.913 8.090 ( 0.000 -5.899 0.000) 5.899 8.409 ( 0.000 2.558 0.000) 2.558 8.464 ( 0.000 -3.001 0.000) 3.001 8.830 ( 0.000 10.168 0.000) 10.168 9.058 ( 0.000 -13.311 0.000) 13.311 9.409 ( 0.000 0.129 0.000) 0.129 9.419 ( 0.000 -1.014 0.000) 1.014 9.809 ( 0.000 5.011 0.000) 5.011 9.894 ( 0.000 -3.758 0.000) 3.758 10.240 ( 0.000 1.202 0.000) 1.202 10.274 ( 0.000 -2.386 0.000) 2.386 10.826 ( 0.000 -0.950 0.000) 0.950 10.843 ( 0.000 -2.620 0.000) 2.620 11.523 ( 0.000 13.109 0.000) 13.109 11.714 ( 0.000 -7.174 0.000) 7.174 12.500 ( 0.000 12.269 0.000) 12.269 12.525 ( 0.000 12.289 0.000) 12.289 12.715 ( 0.000 -6.890 0.000) 6.890 12.768 ( 0.000 -15.096 0.000) 15.096 13.512 ( 0.000 39.519 0.000) 39.519 14.258 ( 0.000 10.386 0.000) 10.386 14.293 ( 0.000 -40.564 0.000) 40.564 14.494 ( 0.000 -14.174 0.000) 14.174 15.054 ( 0.000 8.927 0.000) 8.927 15.210 ( 0.000 -7.151 0.000) 7.151 16.210 ( 0.000 9.302 0.000) 9.302 16.362 ( 0.000 -6.529 0.000) 6.529 16.421 ( 0.000 3.190 0.000) 3.190 16.497 ( 0.000 -4.351 0.000) 4.351 16.560 ( 0.000 7.703 0.000) 7.703 16.704 ( 0.000 -7.249 0.000) 7.249 17.027 ( 0.000 10.861 0.000) 10.861 17.277 ( 0.000 -14.433 0.000) 14.433 18.618 ( 0.000 6.397 0.000) 6.397 18.738 ( 0.000 -5.933 0.000) 5.933 19.614 ( 0.000 7.383 0.000) 7.383 19.705 ( 0.000 -2.234 0.000) 2.234 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 4.414 22.943 0.000) 23.363 1.903 ( -4.192 29.354 0.000) 29.652 2.123 ( 1.467 -16.997 0.000) 17.061 2.421 ( -4.936 -23.580 0.000) 24.091 2.891 ( 10.685 10.989 0.000) 15.328 2.994 ( 2.320 -1.970 0.000) 3.044 3.219 ( -3.930 5.320 0.000) 6.614 3.341 ( -5.825 -6.677 0.000) 8.860 3.801 ( 3.872 6.253 0.000) 7.355 3.958 ( 3.377 -6.459 0.000) 7.289 4.045 ( -1.928 12.936 0.000) 13.079 4.300 ( -5.131 -13.460 0.000) 14.405 5.084 ( 7.984 6.194 0.000) 10.105 5.104 ( -0.064 7.344 0.000) 7.345 5.184 ( 9.491 -4.340 0.000) 10.436 5.267 ( -3.360 -8.977 0.000) 9.585 6.143 ( 3.000 17.191 0.000) 17.451 6.215 ( 2.847 17.647 0.000) 17.875 6.467 ( 7.052 -17.255 0.000) 18.640 6.561 ( 0.703 -17.782 0.000) 17.796 7.501 ( 2.892 15.237 0.000) 15.510 7.785 ( 1.656 -13.937 0.000) 14.035 7.897 ( -6.656 3.056 0.000) 7.324 7.968 ( -10.007 -4.373 0.000) 10.921 8.274 ( -9.371 7.026 0.000) 11.712 8.391 ( -7.559 -5.211 0.000) 9.181 8.688 ( -13.211 9.670 0.000) 16.372 8.907 ( -13.931 -13.009 0.000) 19.061 9.409 ( 5.055 12.595 0.000) 13.572 9.658 ( 11.468 -13.842 0.000) 17.975 9.845 ( 2.890 5.527 0.000) 6.237 9.945 ( 3.979 -4.780 0.000) 6.220 10.309 ( 5.205 1.707 0.000) 5.478 10.366 ( 9.815 -4.416 0.000) 10.763 10.787 ( -3.305 0.631 0.000) 3.365 10.832 ( -1.311 -3.892 0.000) 4.106 11.615 ( 8.434 16.388 0.000) 18.431 11.869 ( 13.785 -10.130 0.000) 17.107 12.478 ( -4.273 14.888 0.000) 15.489 12.652 ( 14.977 9.613 0.000) 17.797 12.714 ( -0.234 -9.335 0.000) 9.338 12.863 ( 9.778 -11.989 0.000) 15.471 13.557 ( 3.858 36.480 0.000) 36.683 14.089 ( -13.817 15.456 0.000) 20.732 14.258 ( -3.736 -33.989 0.000) 34.193 14.419 ( -6.665 -19.105 0.000) 20.234 15.073 ( 2.166 2.628 0.000) 3.406 15.160 ( -4.429 -5.094 0.000) 6.751 16.132 ( -7.280 9.640 0.000) 12.081 16.307 ( -5.448 -8.734 0.000) 10.293 16.445 ( 2.700 5.114 0.000) 5.783 16.556 ( 5.100 -5.975 0.000) 7.856 16.609 ( 4.360 8.712 0.000) 9.742 16.761 ( 5.117 -7.140 0.000) 8.784 16.950 ( -7.704 10.652 0.000) 13.146 17.199 ( -7.759 -14.444 0.000) 16.396 18.716 ( 9.012 7.181 0.000) 11.523 18.859 ( 10.535 -7.668 0.000) 13.030 19.614 ( -0.045 7.086 0.000) 7.086 19.699 ( -0.625 -1.931 0.000) 2.030 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 6.687 17.587 0.000) 18.815 1.906 ( 4.747 21.332 0.000) 21.854 2.163 ( 2.421 -14.250 0.000) 14.454 2.328 ( -3.225 -21.784 0.000) 22.021 2.962 ( -2.248 3.856 0.000) 4.464 3.064 ( 2.373 -5.093 0.000) 5.619 3.135 ( -3.807 1.681 0.000) 4.161 3.207 ( -6.413 -5.037 0.000) 8.155 3.906 ( 2.883 7.253 0.000) 7.805 3.959 ( -3.399 2.205 0.000) 4.052 3.967 ( -6.059 8.972 0.000) 10.826 4.145 ( -10.138 -9.344 0.000) 13.787 5.146 ( 6.795 10.322 0.000) 12.358 5.303 ( 13.146 9.559 0.000) 16.254 5.365 ( 14.288 -10.874 0.000) 17.955 5.450 ( 16.357 -5.987 0.000) 17.418 6.234 ( 5.935 21.088 0.000) 21.907 6.308 ( 6.419 14.601 0.000) 15.950 6.587 ( 1.861 -13.897 0.000) 14.021 6.619 ( 7.463 -19.194 0.000) 20.594 7.574 ( 3.926 14.466 0.000) 14.989 7.737 ( -8.922 1.126 0.000) 8.993 7.778 ( -8.862 -3.299 0.000) 9.456 7.818 ( 0.941 -10.544 0.000) 10.586 8.069 ( -10.567 7.545 0.000) 12.985 8.203 ( -9.762 -6.224 0.000) 11.578 8.344 ( -19.709 7.427 0.000) 21.062 8.545 ( -21.033 -13.351 0.000) 24.913 9.527 ( 5.755 15.650 0.000) 16.675 9.808 ( 4.350 -13.440 0.000) 14.127 9.893 ( 1.258 6.089 0.000) 6.217 10.012 ( 2.037 -6.014 0.000) 6.350 10.417 ( 5.114 6.699 0.000) 8.428 10.600 ( 11.036 -12.766 0.000) 16.875 10.710 ( -3.895 3.229 0.000) 5.060 10.800 ( -1.489 -5.762 0.000) 5.951 11.809 ( 9.518 22.271 0.000) 24.220 12.180 ( 15.169 -15.767 0.000) 21.879 12.372 ( -5.799 19.639 0.000) 20.478 12.704 ( -0.677 -14.632 0.000) 14.647 13.046 ( 19.765 4.962 0.000) 20.379 13.161 ( 18.154 -6.869 0.000) 19.410 13.629 ( 2.205 28.850 0.000) 28.934 13.859 ( -3.682 22.047 0.000) 22.352 14.137 ( -8.020 -21.480 0.000) 22.928 14.318 ( 0.114 -25.399 0.000) 25.400 15.063 ( -3.892 1.623 0.000) 4.217 15.157 ( 6.063 -9.518 0.000) 11.285 15.944 ( -10.742 10.619 0.000) 15.105 16.158 ( -8.836 -11.714 0.000) 14.673 16.526 ( 4.879 7.288 0.000) 8.770 16.666 ( 1.697 -2.197 0.000) 2.776 16.708 ( 4.760 9.336 0.000) 10.480 16.722 ( -11.330 4.753 0.000) 12.287 16.871 ( 4.987 -7.527 0.000) 9.030 16.963 ( -15.702 -14.571 0.000) 21.421 18.941 ( 12.321 7.811 0.000) 14.588 19.095 ( 11.659 -8.146 0.000) 14.222 19.609 ( -0.475 6.144 0.000) 6.162 19.677 ( -1.687 -1.018 0.000) 1.970 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 6.518 11.360 0.000) 13.098 2.063 ( 9.413 9.571 0.000) 13.424 2.219 ( 2.977 -12.025 0.000) 12.388 2.290 ( -1.256 -12.781 0.000) 12.843 2.913 ( -1.243 3.869 0.000) 4.064 3.055 ( -1.844 -9.989 0.000) 10.158 3.067 ( -2.867 0.928 0.000) 3.014 3.125 ( -1.616 -4.799 0.000) 5.064 3.792 ( -9.003 7.081 0.000) 11.454 3.806 ( -9.244 5.144 0.000) 10.579 3.890 ( -6.349 -2.255 0.000) 6.738 3.912 ( -11.955 -5.594 0.000) 13.200 5.446 ( 20.557 18.883 0.000) 27.914 5.583 ( 13.568 15.050 0.000) 20.263 5.735 ( 19.175 -9.921 0.000) 21.590 5.815 ( 18.768 -9.394 0.000) 20.987 6.393 ( 10.742 19.191 0.000) 21.993 6.477 ( 10.408 8.721 0.000) 13.579 6.630 ( 2.290 -6.879 0.000) 7.250 6.757 ( 5.908 -17.742 0.000) 18.700 7.510 ( -14.699 0.914 0.000) 14.728 7.564 ( -12.439 -4.977 0.000) 13.397 7.630 ( -1.959 15.428 0.000) 15.552 7.744 ( -9.493 2.674 0.000) 9.863 7.888 ( -6.470 9.031 0.000) 11.109 7.972 ( -16.075 -2.993 0.000) 16.351 8.056 ( -4.016 -8.519 0.000) 9.418 8.126 ( -15.713 -17.676 0.000) 23.651 9.633 ( 4.794 13.632 0.000) 14.450 9.871 ( 2.435 -11.103 0.000) 11.367 9.884 ( -2.136 6.798 0.000) 7.125 10.018 ( -1.295 -6.887 0.000) 7.007 10.505 ( 3.577 10.825 0.000) 11.400 10.643 ( -2.649 6.309 0.000) 6.843 10.766 ( 5.187 -16.186 0.000) 16.997 10.786 ( 0.264 -8.214 0.000) 8.219 11.970 ( 6.296 26.975 0.000) 27.700 12.256 ( -5.498 23.965 0.000) 24.587 12.444 ( 10.703 -21.029 0.000) 23.596 12.687 ( -1.018 -20.392 0.000) 20.418 13.238 ( 1.089 11.021 0.000) 11.074 13.451 ( 9.392 -10.687 0.000) 14.227 13.607 ( -4.840 20.427 0.000) 20.992 13.953 ( -9.710 -14.666 0.000) 17.588 14.167 ( 31.243 17.874 0.000) 35.994 14.553 ( 23.620 -21.467 0.000) 31.918 15.034 ( 1.319 11.299 0.000) 11.375 15.312 ( 8.826 -16.928 0.000) 19.090 15.724 ( -10.501 11.140 0.000) 15.309 15.969 ( -9.525 -14.431 0.000) 17.291 16.298 ( -24.343 10.556 0.000) 26.533 16.553 ( -23.140 -14.361 0.000) 27.234 16.638 ( 4.968 7.935 0.000) 9.362 16.780 ( 2.048 8.984 0.000) 9.214 16.809 ( 5.218 -9.311 0.000) 10.673 16.944 ( 2.021 -7.887 0.000) 8.142 19.184 ( 11.332 6.837 0.000) 13.235 19.303 ( 8.843 -5.366 0.000) 10.344 19.590 ( -1.551 4.437 0.000) 4.701 19.626 ( -3.435 0.489 0.000) 3.469 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 5.765 5.990 0.000) 8.313 2.196 ( -0.117 1.036 0.000) 1.043 2.266 ( 0.877 -4.876 0.000) 4.954 2.272 ( 1.708 -10.018 0.000) 10.163 2.944 ( 3.987 2.211 0.000) 4.559 3.021 ( -2.565 2.345 0.000) 3.476 3.045 ( 1.625 -8.316 0.000) 8.473 3.096 ( -2.227 -5.786 0.000) 6.199 3.638 ( -4.754 6.053 0.000) 7.697 3.644 ( -5.287 3.628 0.000) 6.412 3.723 ( -4.834 -4.151 0.000) 6.372 3.747 ( -5.909 -4.635 0.000) 7.510 5.793 ( 9.302 20.368 0.000) 22.392 5.800 ( 6.686 20.192 0.000) 21.270 6.057 ( 12.319 -6.465 0.000) 13.912 6.124 ( 8.276 -13.993 0.000) 16.257 6.667 ( 5.598 6.626 0.000) 8.675 6.688 ( 14.778 8.394 0.000) 16.996 6.751 ( 13.045 -1.568 0.000) 13.139 6.826 ( 0.986 -4.753 0.000) 4.854 7.175 ( -15.935 5.401 0.000) 16.826 7.270 ( -22.499 13.913 0.000) 26.453 7.371 ( -1.752 -14.233 0.000) 14.341 7.574 ( -18.593 -15.961 0.000) 24.504 7.743 ( 2.509 13.122 0.000) 13.359 7.800 ( -3.113 11.186 0.000) 11.611 8.021 ( -0.492 -15.189 0.000) 15.197 8.021 ( -0.379 -11.995 0.000) 12.001 9.726 ( 4.593 10.651 0.000) 11.599 9.816 ( -4.195 8.233 0.000) 9.241 9.919 ( 2.513 -9.283 0.000) 9.617 9.974 ( -2.747 -7.857 0.000) 8.323 10.563 ( 2.224 11.489 0.000) 11.702 10.601 ( -1.756 9.442 0.000) 9.604 10.805 ( 1.259 -11.449 0.000) 11.518 10.818 ( 0.472 -14.804 0.000) 14.812 12.071 ( 4.190 28.616 0.000) 28.922 12.156 ( -4.463 27.190 0.000) 27.554 12.601 ( 4.871 -25.610 0.000) 26.069 12.661 ( -1.751 -24.808 0.000) 24.870 13.289 ( 5.731 16.539 0.000) 17.504 13.453 ( -9.276 17.116 0.000) 19.468 13.600 ( 7.068 -15.279 0.000) 16.835 13.762 ( -8.978 -14.642 0.000) 17.175 14.842 ( 29.697 16.071 0.000) 33.766 15.088 ( 1.688 18.279 0.000) 18.357 15.137 ( 29.888 -10.109 0.000) 31.552 15.490 ( 7.537 -20.662 0.000) 21.994 15.567 ( -2.711 4.435 0.000) 5.198 15.739 ( -29.655 11.546 0.000) 31.823 15.797 ( -5.517 -16.078 0.000) 16.998 16.030 ( -26.153 -15.571 0.000) 30.437 16.733 ( 3.916 8.458 0.000) 9.321 16.787 ( -1.266 8.603 0.000) 8.695 16.902 ( 3.718 -8.868 0.000) 9.616 16.952 ( -1.137 -8.330 0.000) 8.407 19.387 ( 8.713 4.783 0.000) 9.939 19.450 ( 5.833 -1.546 0.000) 6.034 19.534 ( -5.863 2.497 0.000) 6.373 19.542 ( -3.359 1.868 0.000) 3.843 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 0.000 0.000 28.550) 28.550 0.594 ( 0.000 0.000 30.163) 30.163 1.131 ( 0.000 0.000 57.265) 57.265 2.389 ( 0.000 0.000 6.922) 6.922 3.143 ( 0.000 0.000 -6.814) 6.814 3.213 ( 0.000 0.000 -3.547) 3.547 3.379 ( 0.000 0.000 0.234) 0.234 3.556 ( 0.000 0.000 -6.457) 6.457 3.556 ( 0.000 0.000 -1.423) 1.423 3.812 ( 0.000 0.000 -18.081) 18.081 4.105 ( 0.000 0.000 -9.248) 9.248 4.662 ( 0.000 0.000 -0.591) 0.591 4.793 ( 0.000 0.000 7.667) 7.667 4.805 ( 0.000 0.000 10.178) 10.178 4.925 ( 0.000 0.000 -3.762) 3.762 5.575 ( 0.000 0.000 -1.042) 1.042 5.654 ( 0.000 0.000 8.781) 8.781 5.694 ( 0.000 0.000 9.764) 9.764 6.872 ( 0.000 0.000 -3.468) 3.468 7.113 ( 0.000 0.000 3.663) 3.663 7.406 ( 0.000 0.000 -0.330) 0.330 7.508 ( 0.000 0.000 1.254) 1.254 7.850 ( 0.000 0.000 8.498) 8.498 8.279 ( 0.000 0.000 -13.223) 13.223 8.501 ( 0.000 0.000 -7.891) 7.891 8.536 ( 0.000 0.000 -4.119) 4.119 8.553 ( 0.000 0.000 -4.976) 4.976 9.414 ( 0.000 0.000 -4.688) 4.688 9.498 ( 0.000 0.000 -4.955) 4.955 9.539 ( 0.000 0.000 -1.772) 1.772 9.967 ( 0.000 0.000 -11.558) 11.558 10.028 ( 0.000 0.000 0.707) 0.707 10.427 ( 0.000 0.000 -9.522) 9.522 10.644 ( 0.000 0.000 21.372) 21.372 10.684 ( 0.000 0.000 6.641) 6.641 11.179 ( 0.000 0.000 10.735) 10.735 11.460 ( 0.000 0.000 0.496) 0.496 11.613 ( 0.000 0.000 -6.419) 6.419 11.951 ( 0.000 0.000 0.154) 0.154 11.952 ( 0.000 0.000 5.401) 5.401 12.035 ( 0.000 0.000 12.113) 12.113 12.299 ( 0.000 0.000 12.989) 12.989 13.292 ( 0.000 0.000 -2.967) 2.967 13.859 ( 0.000 0.000 -12.669) 12.669 14.556 ( 0.000 0.000 -11.776) 11.776 15.204 ( 0.000 0.000 -18.522) 18.522 15.400 ( 0.000 0.000 -11.011) 11.011 15.505 ( 0.000 0.000 -8.601) 8.601 15.829 ( 0.000 0.000 -0.620) 0.620 16.174 ( 0.000 0.000 13.650) 13.650 16.505 ( 0.000 0.000 2.195) 2.195 16.848 ( 0.000 0.000 -10.565) 10.565 16.879 ( 0.000 0.000 -5.473) 5.473 16.924 ( 0.000 0.000 -3.088) 3.088 16.949 ( 0.000 0.000 17.915) 17.915 17.516 ( 0.000 0.000 1.451) 1.451 18.542 ( 0.000 0.000 14.365) 14.365 19.100 ( 0.000 0.000 0.274) 0.274 19.421 ( 0.000 0.000 -0.948) 0.948 19.644 ( 0.000 0.000 0.026) 0.026 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 22.154 0.000 20.552) 30.219 0.945 ( 27.794 0.000 17.862) 33.038 1.617 ( 41.560 0.000 35.863) 54.895 2.419 ( 2.721 0.000 6.351) 6.909 3.106 ( -4.033 0.000 -3.288) 5.203 3.219 ( 0.572 0.000 -7.425) 7.447 3.360 ( -0.935 0.000 -0.124) 0.943 3.483 ( -6.924 0.000 -7.085) 9.906 3.575 ( 2.991 0.000 -1.783) 3.482 3.653 ( -14.035 0.000 -10.558) 17.563 4.081 ( -2.227 0.000 -8.906) 9.180 4.668 ( 0.431 0.000 -0.932) 1.027 4.741 ( -0.226 0.000 4.049) 4.055 4.821 ( -9.893 0.000 -2.966) 10.328 4.992 ( 12.184 0.000 3.995) 12.822 5.386 ( -5.376 0.000 2.898) 6.107 5.750 ( 9.587 0.000 11.590) 15.041 5.756 ( 2.430 0.000 14.146) 14.353 6.876 ( 0.370 0.000 -2.703) 2.728 7.259 ( 7.400 0.000 3.115) 8.029 7.358 ( -4.089 0.000 -0.107) 4.090 7.472 ( -1.685 0.000 -0.837) 1.882 7.850 ( -2.042 0.000 4.090) 4.571 8.189 ( -8.188 0.000 -10.452) 13.277 8.373 ( -13.830 0.000 -2.775) 14.105 8.409 ( -6.572 0.000 -5.005) 8.261 8.597 ( 4.523 0.000 -2.268) 5.059 8.732 ( -17.695 0.000 17.080) 24.594 9.425 ( -12.881 0.000 -4.197) 13.548 9.601 ( 4.610 0.000 -2.000) 5.025 10.042 ( 0.961 0.000 -4.068) 4.180 10.206 ( 3.446 0.000 -5.697) 6.658 10.417 ( 2.791 0.000 -2.985) 4.086 10.715 ( 2.950 0.000 6.545) 7.179 10.944 ( 5.797 0.000 -3.232) 6.637 11.093 ( -7.214 0.000 9.318) 11.784 11.529 ( 6.914 0.000 0.687) 6.948 11.780 ( -9.475 0.000 8.258) 12.568 11.917 ( 15.604 0.000 -22.373) 27.277 12.129 ( 12.716 0.000 -4.765) 13.579 12.303 ( 23.224 0.000 6.282) 24.058 12.546 ( 20.956 0.000 14.251) 25.343 13.277 ( -1.067 0.000 -2.171) 2.419 13.719 ( -4.331 0.000 7.352) 8.533 14.477 ( -7.274 0.000 -10.653) 12.899 15.169 ( -4.451 0.000 -13.202) 13.932 15.321 ( -5.859 0.000 -14.319) 15.471 15.409 ( -9.341 0.000 -14.737) 17.448 15.840 ( 0.729 0.000 5.115) 5.167 16.046 ( -1.514 0.000 5.824) 6.017 16.692 ( 2.605 0.000 14.538) 14.770 16.846 ( -0.592 0.000 -8.752) 8.772 16.849 ( 1.861 0.000 11.842) 11.987 16.910 ( -1.136 0.000 -2.625) 2.860 16.943 ( 5.383 0.000 -4.353) 6.923 17.640 ( 1.094 0.000 -6.451) 6.543 18.597 ( 5.321 0.000 11.847) 12.987 19.107 ( 0.651 0.000 -0.153) 0.669 19.432 ( -0.335 0.000 -6.083) 6.092 19.626 ( -1.884 0.000 -0.140) 1.889 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 23.274 0.000 14.272) 27.301 1.542 ( 29.539 0.000 8.666) 30.784 2.479 ( 2.627 0.000 4.673) 5.361 2.507 ( 41.369 0.000 16.504) 44.540 2.987 ( -7.638 0.000 -0.867) 7.687 3.214 ( -0.627 0.000 -8.553) 8.576 3.262 ( -15.704 0.000 -6.030) 16.822 3.369 ( -10.813 0.000 -4.191) 11.597 3.403 ( 5.877 0.000 -2.969) 6.585 3.662 ( 5.113 0.000 -0.432) 5.131 4.020 ( -3.596 0.000 -8.106) 8.868 4.553 ( -15.774 0.000 -1.184) 15.818 4.665 ( -1.111 0.000 -0.488) 1.213 4.731 ( -1.722 0.000 3.861) 4.228 5.292 ( 17.776 0.000 -8.547) 19.724 5.365 ( 1.180 0.000 -5.529) 5.653 5.866 ( 10.115 0.000 16.612) 19.449 6.027 ( 17.099 0.000 15.681) 23.201 6.889 ( 1.006 0.000 -1.351) 1.684 7.235 ( -8.909 0.000 7.526) 11.662 7.263 ( -5.113 0.000 -1.284) 5.272 7.540 ( 6.285 0.000 -4.372) 7.656 7.687 ( -14.912 0.000 -4.630) 15.614 7.994 ( -10.655 0.000 -9.914) 14.554 8.063 ( -15.476 0.000 3.279) 15.819 8.335 ( -0.487 0.000 -4.861) 4.885 8.515 ( -7.770 0.000 9.675) 12.409 8.755 ( 10.746 0.000 1.324) 10.827 9.126 ( -15.486 0.000 -3.518) 15.881 9.665 ( 0.929 0.000 -1.593) 1.844 10.026 ( -1.841 0.000 -8.761) 8.952 10.236 ( 0.548 0.000 1.860) 1.939 10.476 ( 1.499 0.000 4.008) 4.279 10.797 ( 5.128 0.000 6.397) 8.198 10.880 ( -9.551 0.000 6.996) 11.839 11.014 ( 1.228 0.000 -4.328) 4.499 11.578 ( -8.563 0.000 7.558) 11.422 11.760 ( 13.904 0.000 1.448) 13.979 11.996 ( -6.111 0.000 -14.589) 15.817 12.439 ( 16.574 0.000 -6.417) 17.773 12.834 ( 27.074 0.000 6.595) 27.865 13.078 ( 30.879 0.000 13.620) 33.750 13.329 ( 7.446 0.000 2.617) 7.893 13.750 ( 5.182 0.000 5.594) 7.625 14.298 ( -9.274 0.000 -8.545) 12.610 14.972 ( -13.898 0.000 -8.076) 16.074 15.148 ( -15.938 0.000 -19.819) 25.432 15.275 ( 1.837 0.000 -17.415) 17.512 15.824 ( -3.488 0.000 10.262) 10.838 16.097 ( 4.985 0.000 -2.251) 5.469 16.654 ( -2.181 0.000 19.149) 19.273 16.814 ( -2.300 0.000 -5.298) 5.775 16.889 ( -0.980 0.000 -1.312) 1.637 16.967 ( 5.933 0.000 -1.004) 6.017 17.078 ( 6.873 0.000 1.373) 7.009 17.523 ( -10.970 0.000 0.944) 11.011 18.745 ( 8.977 0.000 6.525) 11.097 19.126 ( 1.213 0.000 -1.234) 1.730 19.398 ( -2.695 0.000 -7.403) 7.879 19.568 ( -3.865 0.000 -0.578) 3.908 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 21.757 0.000 9.092) 23.580 2.082 ( 22.675 0.000 2.956) 22.867 2.499 ( -0.902 0.000 2.013) 2.206 2.798 ( -10.813 0.000 1.153) 10.874 2.963 ( -11.239 0.000 -1.670) 11.362 3.087 ( 13.000 0.000 4.810) 13.862 3.198 ( -6.929 0.000 -3.793) 7.899 3.248 ( 5.579 0.000 -13.618) 14.717 3.560 ( 5.436 0.000 -3.711) 6.582 3.814 ( 11.138 0.000 5.184) 12.285 3.946 ( -3.183 0.000 -5.914) 6.717 4.245 ( -12.456 0.000 2.309) 12.668 4.622 ( -2.822 0.000 0.969) 2.984 4.670 ( -3.841 0.000 4.503) 5.919 5.447 ( 9.267 0.000 -6.182) 11.140 5.705 ( 22.888 0.000 -15.553) 27.672 6.169 ( 18.686 0.000 10.573) 21.470 6.402 ( 19.137 0.000 15.381) 24.552 6.917 ( 1.320 0.000 -1.823) 2.251 6.949 ( -18.961 0.000 2.294) 19.099 7.154 ( -5.751 0.000 -4.173) 7.105 7.293 ( -21.546 0.000 -6.341) 22.460 7.533 ( -11.890 0.000 -1.785) 12.023 7.754 ( -15.708 0.000 9.287) 18.248 7.866 ( 2.490 0.000 -6.051) 6.543 8.346 ( -4.918 0.000 7.596) 9.049 8.401 ( 1.843 0.000 -5.044) 5.370 8.844 ( -11.796 0.000 -3.165) 12.213 9.001 ( 13.019 0.000 2.476) 13.253 9.626 ( -4.814 0.000 -0.322) 4.824 10.000 ( -0.105 0.000 -7.321) 7.321 10.224 ( -2.263 0.000 3.810) 4.431 10.465 ( -1.533 0.000 6.500) 6.679 10.688 ( -8.692 0.000 3.601) 9.408 10.917 ( 6.673 0.000 6.413) 9.255 11.099 ( 6.909 0.000 -2.927) 7.503 11.400 ( -8.766 0.000 7.620) 11.615 11.782 ( -13.087 0.000 -6.245) 14.501 12.102 ( 18.878 0.000 0.394) 18.882 12.726 ( 9.715 0.000 -4.898) 10.880 13.285 ( 16.504 0.000 6.122) 17.603 13.545 ( 11.095 0.000 9.589) 14.665 13.712 ( 27.561 0.000 4.318) 27.897 13.885 ( 8.468 0.000 -2.044) 8.711 14.199 ( 4.478 0.000 -1.653) 4.773 14.666 ( -15.655 0.000 -9.366) 18.243 14.791 ( -18.792 0.000 -20.349) 27.698 15.415 ( 12.906 0.000 -15.826) 20.421 15.654 ( -14.183 0.000 11.825) 18.466 16.194 ( 3.103 0.000 -7.784) 8.380 16.626 ( -0.583 0.000 13.779) 13.791 16.778 ( -0.711 0.000 -2.402) 2.505 16.864 ( -1.568 0.000 0.203) 1.582 17.034 ( -2.198 0.000 0.289) 2.217 17.189 ( 3.609 0.000 2.283) 4.271 17.275 ( -9.625 0.000 7.720) 12.338 18.943 ( 10.303 0.000 1.935) 10.484 19.156 ( 1.830 0.000 -2.608) 3.186 19.333 ( -3.526 0.000 -6.886) 7.736 19.469 ( -5.961 0.000 -1.093) 6.061 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 18.523 0.000 5.701) 19.381 2.385 ( 6.786 0.000 -1.278) 6.905 2.458 ( -2.586 0.000 -0.470) 2.628 2.543 ( -14.541 0.000 3.274) 14.905 2.897 ( 5.233 0.000 0.127) 5.235 3.057 ( -7.911 0.000 -1.677) 8.087 3.233 ( 6.061 0.000 -4.679) 7.657 3.329 ( -1.163 0.000 -9.331) 9.403 3.610 ( 3.891 0.000 -7.570) 8.512 3.761 ( -9.589 0.000 -6.063) 11.345 4.068 ( 6.135 0.000 8.000) 10.082 4.123 ( -1.418 0.000 6.900) 7.044 4.577 ( -0.908 0.000 2.922) 3.060 4.598 ( -2.761 0.000 4.119) 4.958 5.806 ( 25.508 0.000 -5.218) 26.036 6.198 ( 25.544 0.000 -17.570) 31.003 6.337 ( -19.542 0.000 -2.482) 19.699 6.682 ( -12.002 0.000 -7.302) 14.049 6.729 ( 14.740 0.000 5.341) 15.678 6.793 ( 2.376 0.000 -2.606) 3.526 6.967 ( -6.957 0.000 1.655) 7.151 7.159 ( -22.141 0.000 1.346) 22.182 7.164 ( 7.323 0.000 7.936) 10.799 7.427 ( -16.134 0.000 12.137) 20.190 8.003 ( 8.631 0.000 -0.626) 8.654 8.184 ( -8.983 0.000 3.764) 9.740 8.512 ( 6.660 0.000 -4.330) 7.944 8.654 ( -7.653 0.000 -3.366) 8.360 9.259 ( 12.191 0.000 2.174) 12.383 9.480 ( -9.398 0.000 1.119) 9.464 10.036 ( 3.681 0.000 -2.438) 4.415 10.137 ( -5.667 0.000 2.609) 6.239 10.466 ( 2.020 0.000 4.252) 4.707 10.543 ( -5.561 0.000 2.564) 6.123 11.063 ( 7.755 0.000 6.683) 10.238 11.227 ( -8.405 0.000 7.144) 11.031 11.278 ( 10.530 0.000 -1.073) 10.584 11.515 ( -12.808 0.000 -2.040) 12.969 12.481 ( 17.601 0.000 -0.497) 17.608 12.752 ( -7.464 0.000 -1.976) 7.721 13.537 ( 9.260 0.000 8.794) 12.771 13.650 ( -1.103 0.000 12.543) 12.591 14.057 ( 13.625 0.000 -14.919) 20.204 14.099 ( 12.146 0.000 -8.623) 14.895 14.363 ( -14.136 0.000 -10.102) 17.375 14.381 ( -16.130 0.000 -15.554) 22.408 14.663 ( 28.620 0.000 9.669) 30.209 15.246 ( -25.781 0.000 12.269) 28.552 15.777 ( 20.942 0.000 -16.718) 26.797 16.133 ( -11.163 0.000 -16.184) 19.660 16.658 ( 4.684 0.000 14.159) 14.914 16.788 ( 1.495 0.000 -0.276) 1.521 16.827 ( -2.051 0.000 0.602) 2.137 16.829 ( -12.153 0.000 14.092) 18.609 17.224 ( 1.587 0.000 2.114) 2.643 17.240 ( 0.324 0.000 2.976) 2.994 19.147 ( 9.719 0.000 -0.551) 9.735 19.201 ( 2.663 0.000 -4.156) 4.936 19.262 ( -3.381 0.000 -5.684) 6.614 19.328 ( -8.041 0.000 -1.297) 8.145 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 19.258 19.376) 27.319 0.889 ( 0.000 27.775 17.265) 32.704 1.554 ( 0.000 35.319 40.643) 53.845 2.422 ( 0.000 2.341 6.635) 7.036 3.107 ( 0.000 -4.391 -2.438) 5.022 3.132 ( 0.000 -5.600 -9.747) 11.242 3.252 ( 0.000 -10.947 -1.654) 11.071 3.552 ( 0.000 1.517 -4.523) 4.770 3.628 ( 0.000 3.591 -1.031) 3.736 3.866 ( 0.000 4.305 -15.461) 16.049 3.989 ( 0.000 -10.390 -7.920) 13.065 4.786 ( 0.000 -5.297 -1.035) 5.397 4.810 ( 0.000 5.817 4.079) 7.105 4.903 ( 0.000 2.123 6.412) 6.755 5.059 ( 0.000 20.498 -7.041) 21.674 5.480 ( 0.000 -3.165 -4.680) 5.650 5.668 ( 0.000 -2.566 9.589) 9.927 5.720 ( 0.000 6.541 6.950) 9.544 6.930 ( 0.000 5.237 -4.408) 6.846 7.010 ( 0.000 -9.633 3.969) 10.419 7.312 ( 0.000 -9.710 10.372) 14.208 7.698 ( 0.000 10.221 -17.125) 19.943 7.887 ( 0.000 3.661 8.924) 9.646 8.151 ( 0.000 -6.064 -9.653) 11.399 8.484 ( 0.000 -1.500 -7.825) 7.967 8.562 ( 0.000 2.595 -3.919) 4.701 8.673 ( 0.000 2.948 0.357) 2.969 9.257 ( 0.000 -7.838 -6.919) 10.455 9.462 ( 0.000 -3.210 -4.868) 5.831 9.506 ( 0.000 -5.786 -1.299) 5.930 9.969 ( 0.000 -0.060 -1.743) 1.744 10.014 ( 0.000 -1.119 0.736) 1.340 10.312 ( 0.000 -16.447 24.357) 29.390 10.364 ( 0.000 -4.727 -5.510) 7.260 10.806 ( 0.000 8.805 1.545) 8.939 11.088 ( 0.000 -9.463 8.416) 12.664 11.195 ( 0.000 3.087 12.023) 12.413 11.976 ( 0.000 -1.476 9.757) 9.868 12.030 ( 0.000 7.642 -1.177) 7.733 12.149 ( 0.000 22.181 -0.840) 22.197 12.340 ( 0.000 4.335 13.328) 14.015 12.492 ( 0.000 31.055 -21.685) 37.877 13.224 ( 0.000 -6.895 -2.623) 7.377 13.880 ( 0.000 2.318 -13.072) 13.276 14.504 ( 0.000 -3.982 -13.045) 13.639 15.172 ( 0.000 -3.724 -18.628) 18.997 15.254 ( 0.000 -13.732 -4.086) 14.327 15.430 ( 0.000 -8.963 -4.368) 9.971 15.787 ( 0.000 1.405 7.388) 7.520 16.158 ( 0.000 2.055 -1.775) 2.715 16.450 ( 0.000 -5.350 -0.979) 5.439 16.716 ( 0.000 -8.285 -6.721) 10.668 16.857 ( 0.000 -2.409 18.601) 18.757 16.870 ( 0.000 -1.736 -6.323) 6.557 16.975 ( 0.000 0.416 15.616) 15.621 17.547 ( 0.000 -2.378 -10.775) 11.034 18.565 ( 0.000 2.483 13.562) 13.788 19.183 ( 0.000 -13.833 12.834) 18.869 19.211 ( 0.000 10.249 0.288) 10.253 19.668 ( 0.000 2.148 0.002) 2.148 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 21.226 9.222 15.958) 28.112 1.081 ( 15.448 18.556 18.486) 30.409 1.967 ( 34.718 29.428 25.868) 52.350 2.437 ( 1.417 1.063 6.117) 6.369 3.061 ( -4.672 -5.469 -1.575) 7.364 3.127 ( -1.569 -7.188 -8.951) 11.586 3.236 ( -0.298 -9.057 -3.049) 9.561 3.494 ( -6.281 -0.710 -3.247) 7.106 3.638 ( 2.161 5.772 -2.062) 6.500 3.738 ( -10.441 5.682 -10.623) 15.942 3.983 ( -1.668 -8.093 -7.320) 11.039 4.695 ( -9.031 -7.143 -3.077) 11.919 4.793 ( 0.500 5.610 -1.035) 5.727 4.935 ( -1.965 12.859 1.331) 13.076 5.101 ( 7.332 10.745 -0.096) 13.009 5.386 ( -2.590 2.054 -0.309) 3.320 5.703 ( 3.487 -2.785 12.431) 13.208 5.813 ( 8.754 5.085 10.424) 14.531 6.928 ( -0.093 4.761 -2.980) 5.617 7.129 ( 8.419 -10.702 2.153) 13.786 7.275 ( -3.470 -8.271 8.435) 12.312 7.632 ( -5.065 10.213 -11.436) 16.148 7.886 ( -1.862 3.346 5.127) 6.399 8.073 ( -6.531 -7.073 -9.631) 13.618 8.362 ( -12.500 -3.130 -0.845) 12.913 8.412 ( -10.267 1.720 -4.217) 11.232 8.635 ( -7.233 -4.457 9.869) 13.022 8.825 ( -4.678 14.215 -2.086) 15.110 9.348 ( -12.832 -7.627 -3.098) 15.246 9.625 ( 4.591 2.042 -3.083) 5.895 10.048 ( 2.359 0.376 -2.609) 3.537 10.190 ( 2.114 -1.516 -4.952) 5.594 10.327 ( 4.717 -7.911 0.494) 9.224 10.766 ( 19.848 -16.558 0.552) 25.854 10.823 ( 2.542 5.185 0.398) 5.788 11.101 ( 1.061 -9.840 4.728) 10.969 11.133 ( -1.042 -0.796 11.848) 11.921 11.922 ( -9.058 14.023 6.909) 18.067 12.172 ( 15.345 0.778 4.389) 15.980 12.280 ( 13.024 12.170 -2.044) 17.942 12.467 ( 8.906 16.522 -15.013) 24.035 12.639 ( 15.781 11.953 7.626) 21.215 13.227 ( 0.882 -5.088 -2.254) 5.635 13.720 ( -7.567 0.828 4.285) 8.735 14.474 ( -5.286 -0.525 -13.151) 14.183 15.111 ( -4.076 -10.148 -15.171) 18.702 15.188 ( -7.619 -7.667 -8.426) 13.705 15.423 ( -2.590 -2.419 -10.729) 11.299 15.786 ( 1.233 -1.066 5.910) 6.131 16.121 ( -0.884 5.443 -0.896) 5.586 16.591 ( 8.259 -10.748 -2.801) 13.841 16.691 ( -2.789 -8.036 0.626) 8.529 16.783 ( -3.304 -3.376 10.033) 11.090 16.896 ( 0.072 -0.971 1.968) 2.196 17.004 ( 4.490 1.005 6.347) 7.839 17.578 ( -1.189 -6.807 -7.081) 9.894 18.620 ( 5.331 2.518 11.073) 12.545 19.216 ( 0.609 9.919 -0.018) 9.937 19.277 ( 5.721 -11.262 1.749) 12.753 19.651 ( -1.736 2.320 -0.170) 2.903 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 19.355 9.629 14.537) 26.051 1.507 ( 27.665 -0.660 8.886) 29.065 2.470 ( 1.948 -0.967 4.487) 4.987 2.707 ( 32.690 15.811 9.064) 37.427 2.910 ( -10.264 -8.477 -1.077) 13.356 3.058 ( -4.153 -6.810 -5.288) 9.571 3.264 ( 1.382 -4.203 -2.586) 5.125 3.343 ( -7.306 -1.755 -2.905) 8.056 3.545 ( -4.872 10.452 -6.557) 13.266 3.693 ( 2.556 3.572 -1.326) 4.588 3.922 ( -3.947 -8.523 -5.949) 11.118 4.443 ( -15.029 -7.618 -2.093) 16.979 4.790 ( -2.502 9.406 -2.021) 9.940 4.896 ( 0.358 13.838 4.575) 14.579 5.314 ( 11.263 0.685 -8.751) 14.279 5.428 ( 7.418 8.474 -5.834) 12.683 5.848 ( 11.644 -0.516 14.698) 18.758 6.067 ( 15.970 3.392 14.823) 22.052 6.929 ( 0.095 3.234 0.068) 3.236 7.166 ( -7.061 -5.913 2.297) 9.492 7.255 ( 1.965 -3.709 3.891) 5.724 7.559 ( -1.892 4.165 -7.941) 9.165 7.732 ( -13.552 3.664 -3.027) 14.361 7.930 ( -8.120 -5.891 -8.593) 13.209 8.068 ( -14.417 -0.183 3.094) 14.746 8.275 ( -3.184 -3.994 -3.800) 6.366 8.471 ( -7.668 -3.934 8.327) 11.984 8.902 ( 6.033 10.541 -1.289) 12.214 9.053 ( -13.372 -5.240 -1.009) 14.397 9.688 ( 1.219 2.307 -2.311) 3.485 10.066 ( -0.506 3.564 -6.197) 7.166 10.201 ( 0.312 -3.544 2.283) 4.227 10.415 ( 2.829 -4.888 4.494) 7.217 10.775 ( -5.603 -3.866 4.509) 8.165 10.946 ( 3.309 -2.730 -4.801) 6.438 11.033 ( -1.063 12.251 6.617) 13.965 11.367 ( 12.794 -22.987 -0.405) 26.311 11.729 ( -9.513 13.853 7.936) 18.584 12.336 ( -1.941 18.070 -7.260) 19.570 12.542 ( 16.868 8.888 -8.198) 20.754 12.829 ( 23.066 0.852 2.223) 23.188 13.106 ( 28.280 2.734 13.230) 31.341 13.319 ( 9.757 -0.644 2.375) 10.063 13.679 ( 2.169 -6.114 6.117) 8.916 14.310 ( -9.291 0.769 -8.909) 12.895 14.964 ( -12.923 -0.900 -8.518) 15.504 15.026 ( -5.763 -12.522 -15.916) 21.055 15.327 ( -4.453 4.324 -16.640) 17.760 15.809 ( -0.734 -1.242 9.616) 9.724 16.157 ( 4.045 5.119 -3.357) 7.337 16.623 ( -2.862 -8.964 5.267) 10.783 16.668 ( -1.519 -10.296 -0.815) 10.439 16.734 ( -1.685 -7.023 3.661) 8.097 16.944 ( 4.555 -3.076 0.348) 5.508 17.106 ( 4.828 0.237 4.620) 6.686 17.451 ( -10.649 -7.442 0.886) 13.022 18.770 ( 9.151 2.766 5.796) 11.180 19.232 ( 1.000 9.781 -1.008) 9.883 19.347 ( 1.285 -4.729 -4.856) 6.899 19.597 ( -3.643 2.741 -0.611) 4.600 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 18.358 2.912 9.531) 20.889 2.032 ( 23.179 -4.115 3.714) 23.833 2.495 ( 0.479 -0.884 2.185) 2.405 2.671 ( -12.510 -9.569 -0.044) 15.750 2.964 ( -3.855 -1.771 -3.123) 5.268 3.079 ( 1.137 -3.459 -5.258) 6.395 3.228 ( -1.339 4.879 2.138) 5.493 3.272 ( 1.514 -0.222 -7.122) 7.285 3.609 ( 2.213 4.439 -5.689) 7.548 3.777 ( 8.145 -3.518 4.150) 9.795 3.841 ( -3.852 -7.434 -3.073) 8.918 4.134 ( -14.046 -7.150 1.144) 15.802 4.770 ( 2.407 12.895 0.879) 13.147 4.907 ( 0.135 20.276 5.237) 20.941 5.493 ( 10.559 4.082 -9.006) 14.465 5.745 ( 21.186 4.744 -14.379) 26.040 6.169 ( 19.291 0.226 10.562) 21.995 6.421 ( 17.745 1.574 14.260) 22.819 6.863 ( -11.462 -4.385 2.968) 12.626 7.015 ( -3.866 5.866 -4.758) 8.485 7.217 ( -4.402 3.162 1.893) 5.741 7.289 ( -22.775 1.702 -10.959) 25.332 7.565 ( -9.179 3.069 0.214) 9.681 7.759 ( -11.025 -1.384 1.022) 11.159 7.825 ( -2.721 -2.489 2.360) 4.379 8.267 ( -1.214 -7.555 2.597) 8.080 8.335 ( -3.306 -5.362 -0.642) 6.332 8.732 ( -12.043 -10.567 -2.806) 16.265 9.136 ( 11.029 11.840 2.875) 16.435 9.667 ( -3.429 3.867 -0.460) 5.189 10.048 ( -0.605 4.550 -5.489) 7.155 10.197 ( -1.316 -2.993 3.565) 4.837 10.430 ( -0.611 -2.853 6.518) 7.142 10.630 ( -7.356 -4.485 2.457) 8.959 11.031 ( 5.612 -6.068 -2.764) 8.715 11.082 ( 4.824 14.981 5.439) 16.652 11.492 ( -2.032 -13.225 -1.096) 13.425 11.553 ( -7.284 7.883 6.192) 12.392 12.362 ( 7.441 17.577 -3.065) 19.332 12.834 ( 9.651 10.110 -5.780) 15.125 13.197 ( 12.896 -8.327 4.482) 15.991 13.506 ( 9.665 -4.262 12.147) 16.097 13.735 ( 17.882 -5.382 -1.687) 18.750 13.802 ( 17.228 0.557 1.160) 17.276 14.189 ( 1.352 -1.425 -2.264) 2.997 14.697 ( -12.161 3.234 -8.615) 15.250 14.845 ( -11.764 3.226 -17.784) 21.565 15.379 ( 11.135 -2.804 -13.578) 17.782 15.693 ( -11.905 3.806 10.813) 16.527 16.237 ( 2.203 3.757 -7.870) 8.994 16.581 ( -1.800 -18.004 -3.356) 18.402 16.612 ( -1.660 -5.989 10.261) 11.997 16.690 ( -2.977 -10.160 1.047) 10.639 17.007 ( -1.899 -3.635 1.715) 4.445 17.183 ( 2.503 -1.792 4.025) 5.067 17.215 ( -8.642 -5.898 6.905) 12.536 18.972 ( 10.524 3.179 1.368) 11.078 19.255 ( 1.310 9.040 -2.257) 9.409 19.346 ( -0.977 0.836 -5.757) 5.898 19.503 ( -5.774 3.211 -1.120) 6.701 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 14.190 -3.628 4.889) 15.441 2.360 ( 2.875 -2.450 -1.119) 3.939 2.453 ( -3.640 -6.637 2.548) 7.987 2.497 ( -0.833 0.257 1.881) 2.073 2.909 ( 0.727 1.341 -0.952) 1.798 3.003 ( -5.949 -4.181 -3.683) 8.151 3.248 ( 3.454 0.410 -4.536) 5.716 3.314 ( -0.842 -2.101 -7.007) 7.364 3.602 ( 1.478 -1.525 -5.971) 6.338 3.711 ( -7.736 -6.320 -3.783) 10.681 3.895 ( 2.130 -9.916 5.597) 11.584 3.950 ( -4.339 -10.105 5.901) 12.481 4.858 ( 3.983 22.242 2.396) 22.722 4.901 ( -0.782 24.601 3.955) 24.929 5.848 ( 24.567 4.134 -6.644) 25.783 6.220 ( 25.326 2.338 -17.105) 30.650 6.368 ( -21.138 2.766 -3.643) 21.627 6.622 ( 17.356 -5.960 5.613) 19.190 6.742 ( -24.721 3.953 -15.108) 29.241 6.812 ( 9.891 -0.598 5.500) 11.333 6.988 ( -6.055 2.472 4.185) 7.764 7.122 ( -7.902 2.415 1.889) 8.476 7.337 ( -4.248 10.746 6.837) 13.427 7.482 ( -13.296 5.238 10.270) 17.599 7.935 ( 8.517 -7.216 0.616) 11.180 8.119 ( -9.359 -6.793 4.097) 12.269 8.407 ( 6.040 -9.541 -4.688) 12.226 8.541 ( -7.428 -10.706 -3.267) 13.434 9.360 ( 10.688 9.213 2.872) 14.400 9.551 ( -7.913 6.578 1.785) 10.443 10.063 ( 2.413 2.645 -2.125) 4.163 10.137 ( -4.187 -0.286 2.216) 4.746 10.436 ( 1.856 -2.469 3.989) 5.045 10.505 ( -4.865 -3.221 2.076) 6.193 11.165 ( 6.883 -3.785 0.828) 7.898 11.196 ( 5.443 6.982 4.273) 9.830 11.371 ( -5.887 6.544 3.638) 9.525 11.410 ( -7.620 -2.185 1.468) 8.062 12.608 ( 14.484 11.623 -1.382) 18.622 12.853 ( -7.556 9.925 -2.288) 12.682 13.416 ( 9.528 -12.149 6.868) 16.898 13.555 ( -3.328 -10.389 12.326) 16.460 13.947 ( 8.495 -10.456 -11.759) 17.882 14.029 ( 1.781 -3.315 -10.577) 11.226 14.396 ( 4.622 4.486 -8.137) 10.378 14.522 ( -8.501 10.430 -10.294) 16.942 14.788 ( 19.789 11.161 4.161) 23.097 15.311 ( -24.645 6.636 10.883) 27.746 15.746 ( 22.155 -3.582 -14.491) 26.715 16.145 ( -13.667 0.713 -15.550) 20.715 16.546 ( 0.125 -18.849 2.863) 19.066 16.589 ( -3.174 -19.247 2.373) 19.650 16.685 ( 4.731 -2.304 9.431) 10.800 16.832 ( -9.723 -2.063 12.483) 15.957 17.189 ( 1.732 -4.224 2.322) 5.122 17.210 ( 0.037 -3.007 2.429) 3.866 19.180 ( 9.751 3.493 -1.013) 10.407 19.284 ( 1.384 7.394 -3.666) 8.368 19.318 ( -1.622 4.814 -4.911) 7.066 19.365 ( -7.704 3.621 -1.312) 8.613 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 25.578 7.101) 26.546 1.465 ( 0.000 30.809 9.166) 32.143 2.247 ( 0.000 33.264 23.236) 40.576 2.398 ( 0.000 -6.925 4.794) 8.422 2.976 ( 0.000 -6.071 -5.724) 8.344 2.984 ( 0.000 -17.000 -1.060) 17.033 3.116 ( 0.000 3.361 -6.128) 6.989 3.525 ( 0.000 -3.383 -0.818) 3.481 3.741 ( 0.000 -1.364 -5.805) 5.963 3.806 ( 0.000 2.122 -4.631) 5.094 3.921 ( 0.000 0.311 -10.930) 10.934 4.589 ( 0.000 -13.245 -3.973) 13.828 4.932 ( 0.000 6.709 2.093) 7.028 4.993 ( 0.000 4.820 10.365) 11.431 5.235 ( 0.000 1.294 7.396) 7.509 5.585 ( 0.000 -6.136 9.551) 11.352 5.642 ( 0.000 16.657 -16.016) 23.108 5.900 ( 0.000 11.886 3.136) 12.293 6.743 ( 0.000 -15.302 4.957) 16.085 7.054 ( 0.000 -16.621 11.062) 19.965 7.100 ( 0.000 10.631 -7.540) 13.033 7.726 ( 0.000 -6.048 -17.088) 18.127 7.982 ( 0.000 6.148 10.089) 11.814 8.148 ( 0.000 4.300 -7.015) 8.228 8.446 ( 0.000 -2.434 -7.531) 7.915 8.570 ( 0.000 -10.359 9.095) 13.785 8.644 ( 0.000 6.317 -3.333) 7.142 9.240 ( 0.000 2.961 -11.232) 11.615 9.323 ( 0.000 -12.079 -0.911) 12.113 9.399 ( 0.000 -2.918 -5.138) 5.909 9.961 ( 0.000 -0.527 12.119) 12.130 9.994 ( 0.000 -0.899 2.081) 2.267 10.146 ( 0.000 -3.129 0.590) 3.184 10.272 ( 0.000 -4.804 -4.692) 6.715 10.902 ( 0.000 0.989 3.034) 3.192 10.963 ( 0.000 -4.556 8.681) 9.804 11.355 ( 0.000 12.972 9.803) 16.259 11.919 ( 0.000 -4.334 9.228) 10.195 12.213 ( 0.000 10.920 -3.379) 11.431 12.464 ( 0.000 8.407 12.908) 15.405 12.609 ( 0.000 19.821 -4.686) 20.368 12.871 ( 0.000 9.622 -5.918) 11.296 13.079 ( 0.000 -0.737 1.639) 1.797 13.952 ( 0.000 5.288 -14.221) 15.172 14.418 ( 0.000 -5.874 -20.538) 21.361 14.958 ( 0.000 -24.084 -8.407) 25.510 15.040 ( 0.000 -6.324 1.203) 6.437 15.208 ( 0.000 -8.690 -6.278) 10.720 15.887 ( 0.000 7.391 -1.718) 7.588 16.250 ( 0.000 6.740 -7.553) 10.123 16.340 ( 0.000 -5.807 -5.394) 7.925 16.602 ( 0.000 -3.773 -9.424) 10.151 16.839 ( 0.000 -0.320 -5.044) 5.055 16.846 ( 0.000 0.723 24.537) 24.548 16.959 ( 0.000 -1.645 17.359) 17.436 17.403 ( 0.000 -11.408 -11.725) 16.359 18.635 ( 0.000 4.713 12.108) 12.993 18.989 ( 0.000 -7.737 11.508) 13.868 19.430 ( 0.000 11.395 0.139) 11.396 19.708 ( 0.000 1.424 -0.098) 1.428 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 8.482 21.298 6.777) 23.905 1.518 ( 6.307 25.545 13.714) 29.672 2.396 ( 0.371 -6.849 4.463) 8.183 2.529 ( 22.072 24.498 13.451) 35.612 2.868 ( -6.917 -12.884 -2.620) 14.856 3.009 ( -0.706 -7.520 -3.020) 8.134 3.117 ( 0.534 0.215 -5.486) 5.517 3.459 ( -5.847 -2.511 0.230) 6.368 3.717 ( -2.867 -5.969 -8.453) 10.737 3.789 ( 0.401 9.694 -3.429) 10.290 3.928 ( -1.512 2.052 -7.195) 7.633 4.508 ( -7.881 -11.735 -3.701) 14.612 4.903 ( 1.073 6.035 -0.649) 6.164 5.113 ( 7.603 5.732 7.658) 12.219 5.221 ( -2.589 1.925 1.427) 3.528 5.521 ( 0.330 3.118 2.250) 3.859 5.723 ( 6.031 10.583 2.318) 12.400 5.958 ( 5.837 10.003 4.279) 12.346 6.840 ( 7.666 -14.893 3.872) 17.192 6.995 ( -3.752 -10.445 8.503) 13.981 7.157 ( 3.679 5.220 -5.629) 8.513 7.705 ( -2.179 -3.674 -15.051) 15.646 7.936 ( -4.257 2.299 5.658) 7.444 8.064 ( -8.283 6.266 -5.959) 11.974 8.263 ( -13.341 -6.577 3.096) 15.193 8.434 ( -10.496 -1.562 -2.994) 11.026 8.571 ( -6.988 1.049 3.221) 7.766 9.078 ( -6.014 4.322 -5.600) 9.285 9.184 ( -6.565 -2.323 -0.500) 6.982 9.656 ( 7.654 0.280 -5.703) 9.549 10.033 ( 2.698 -3.082 0.296) 4.106 10.123 ( 4.097 -7.732 13.365) 15.975 10.189 ( 7.782 -1.336 -11.165) 13.675 10.469 ( 19.497 -11.049 0.072) 22.410 10.852 ( -4.539 -1.245 4.568) 6.559 10.936 ( -2.128 -5.373 4.100) 7.086 11.363 ( 1.512 17.059 8.030) 18.915 12.115 ( 16.941 -5.694 8.627) 19.845 12.224 ( -4.974 16.181 4.959) 17.640 12.498 ( 12.165 9.641 0.741) 15.540 12.706 ( 4.850 8.843 -6.310) 11.897 12.919 ( 6.472 8.626 -2.796) 11.140 13.141 ( 6.319 4.561 3.455) 8.525 13.783 ( -11.690 6.368 -4.177) 13.952 14.424 ( -2.284 -6.315 -17.973) 19.186 14.791 ( -9.119 -19.746 -6.187) 22.613 15.095 ( -3.307 -4.887 -9.891) 11.517 15.239 ( 5.224 -14.252 -1.040) 15.215 15.860 ( -2.507 7.665 -1.754) 8.253 16.224 ( -0.790 5.345 -8.498) 10.070 16.420 ( 4.357 -7.532 -2.107) 8.952 16.557 ( -3.413 -3.906 -10.567) 11.771 16.774 ( -2.760 1.140 10.709) 11.118 16.875 ( -1.240 -0.042 9.316) 9.398 16.988 ( 3.983 -2.155 12.428) 13.227 17.387 ( -2.961 -12.528 -7.105) 14.704 18.694 ( 5.661 5.050 9.656) 12.279 19.085 ( 7.837 -8.544 5.796) 12.962 19.433 ( 0.231 11.181 -0.133) 11.185 19.695 ( -1.319 1.693 -0.257) 2.161 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 17.645 9.055 6.457) 20.857 1.707 ( 11.636 16.594 12.574) 23.851 2.404 ( 0.804 -7.174 3.759) 8.139 2.682 ( -8.539 -12.922 -1.587) 15.569 2.923 ( 6.087 3.846 -1.473) 7.349 2.982 ( 1.067 -2.802 -4.898) 5.743 3.155 ( 2.717 -6.233 -2.821) 7.361 3.342 ( -4.079 0.028 4.689) 6.215 3.693 ( 1.913 6.081 -8.172) 10.364 3.799 ( -0.149 3.932 -1.935) 4.385 3.835 ( -6.629 5.261 -2.952) 8.963 4.291 ( -12.955 -8.327 -2.492) 15.601 4.950 ( 1.270 7.203 -2.457) 7.716 5.172 ( 5.133 12.471 4.963) 14.370 5.311 ( 9.471 0.391 -6.140) 11.294 5.658 ( 11.021 11.014 -3.152) 15.897 5.887 ( 10.656 6.276 12.235) 17.396 6.147 ( 13.042 5.479 7.904) 16.205 6.906 ( -4.571 -8.050 7.310) 11.795 6.994 ( 5.756 -12.508 2.364) 13.971 7.234 ( 3.782 5.603 -5.399) 8.651 7.641 ( -3.849 0.618 -10.089) 10.816 7.821 ( -16.550 6.168 -5.603) 18.530 7.833 ( -5.858 -1.839 -0.531) 6.162 8.028 ( -9.853 -3.895 2.239) 10.829 8.220 ( -9.095 -2.413 -4.444) 10.406 8.401 ( -9.142 -2.342 7.061) 11.786 8.803 ( -17.393 -12.707 -1.807) 21.616 9.233 ( 7.048 15.881 1.395) 17.431 9.748 ( 2.325 3.523 -3.203) 5.298 10.077 ( 1.671 -5.875 0.905) 6.175 10.155 ( 0.366 0.920 5.505) 5.593 10.329 ( 5.135 -2.720 -1.040) 5.903 10.700 ( -5.403 -3.519 2.997) 7.110 10.837 ( 5.057 -7.787 -4.351) 10.254 10.945 ( 7.370 -15.501 1.744) 17.252 11.420 ( 3.848 21.837 4.932) 22.715 12.063 ( -8.940 19.819 7.771) 23.089 12.475 ( 15.092 -5.485 7.147) 17.576 12.697 ( 3.707 7.044 -12.249) 14.608 12.937 ( 19.129 7.316 -6.396) 21.456 13.168 ( 16.489 1.754 2.443) 16.761 13.338 ( 13.085 6.070 6.683) 15.898 13.620 ( -1.713 3.624 6.588) 7.712 14.295 ( -9.333 -3.449 -8.725) 13.233 14.680 ( -0.790 -22.402 -11.220) 25.067 14.952 ( -8.770 -0.308 -8.784) 12.416 15.345 ( 3.448 -6.300 -7.821) 10.618 15.789 ( -3.518 1.327 4.380) 5.772 16.253 ( 2.401 5.086 -8.827) 10.467 16.384 ( -5.764 -13.590 -3.297) 15.126 16.507 ( -4.460 -0.773 -5.551) 7.162 16.733 ( -1.850 1.322 8.406) 8.708 16.867 ( 1.820 -3.376 6.468) 7.519 17.071 ( 3.404 -3.623 7.934) 9.362 17.256 ( -9.680 -12.261 0.880) 15.646 18.852 ( 9.610 5.658 4.637) 12.078 19.239 ( 6.629 -6.289 -1.024) 9.195 19.438 ( 0.255 10.484 -0.863) 10.522 19.652 ( -2.968 2.430 -0.681) 3.896 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 12.463 4.426 9.072) 16.038 1.991 ( 17.378 2.112 3.510) 17.854 2.434 ( 1.988 -6.759 2.731) 7.556 2.492 ( -9.842 -8.321 -0.803) 12.913 2.920 ( -0.247 -1.878 -0.577) 1.980 2.989 ( -2.537 -4.101 -8.881) 10.106 3.178 ( 0.470 -7.844 -4.084) 8.856 3.287 ( -2.619 -3.297 2.542) 4.918 3.666 ( -6.854 2.494 -3.496) 8.088 3.700 ( -4.389 0.316 -2.184) 4.912 3.830 ( -0.565 2.849 -0.842) 3.024 4.027 ( -11.766 -4.334 0.371) 12.544 5.060 ( 11.816 16.182 -0.589) 20.045 5.330 ( 6.667 22.741 7.392) 24.824 5.550 ( 15.298 0.716 -14.482) 21.078 5.916 ( 14.783 12.993 -11.685) 22.889 6.169 ( 17.116 -1.261 13.421) 21.787 6.457 ( 15.962 2.423 8.893) 18.432 6.764 ( -9.631 -5.829 1.113) 11.313 7.073 ( 1.466 -3.716 2.519) 4.723 7.276 ( -1.659 7.098 -2.625) 7.748 7.384 ( -23.191 6.655 -11.023) 26.526 7.599 ( -1.153 -4.310 -5.029) 6.723 7.691 ( -7.645 1.686 3.310) 8.499 7.837 ( -9.533 1.833 5.780) 11.298 8.105 ( -3.809 -8.839 -1.828) 9.797 8.221 ( -7.706 -6.102 2.875) 10.241 8.475 ( -13.343 -15.326 -0.282) 20.323 9.395 ( 8.534 14.367 3.363) 17.046 9.760 ( -1.100 5.666 -0.373) 5.784 10.101 ( 0.597 -6.515 2.899) 7.156 10.137 ( -1.865 2.474 2.217) 3.809 10.394 ( 1.538 0.436 3.123) 3.509 10.567 ( -6.065 -0.991 0.528) 6.168 10.891 ( 3.424 -8.007 -3.683) 9.455 11.094 ( 3.568 -17.802 -1.043) 18.186 11.506 ( 4.543 23.178 4.158) 23.982 11.888 ( -8.224 21.630 7.647) 24.371 12.653 ( 7.035 10.246 -1.410) 12.508 12.883 ( 12.138 -11.981 -3.640) 17.439 13.162 ( 2.562 9.001 -4.086) 10.212 13.383 ( -1.146 -4.913 15.328) 16.137 13.547 ( 11.878 -9.308 -10.103) 18.160 13.939 ( 24.023 9.758 4.474) 26.312 14.128 ( -1.981 -5.312 -2.679) 6.271 14.768 ( 5.522 -4.070 -10.926) 12.901 14.815 ( -0.585 0.414 -7.985) 8.017 15.377 ( 2.650 2.960 -10.073) 10.828 15.745 ( -2.793 -1.980 10.402) 10.951 16.157 ( -10.229 -13.000 -6.484) 17.767 16.310 ( -6.046 -15.353 -3.432) 16.854 16.392 ( -4.453 3.056 -6.656) 8.572 16.669 ( -3.559 0.698 7.301) 8.153 16.914 ( -0.852 -4.671 5.130) 6.990 17.049 ( -4.787 -9.637 7.577) 13.161 17.128 ( 0.455 -4.733 4.007) 6.218 19.062 ( 10.768 5.901 0.662) 12.296 19.344 ( 3.922 -1.448 -3.545) 5.482 19.441 ( -0.095 9.106 -1.866) 9.296 19.572 ( -5.068 3.458 -1.199) 6.251 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 8.880 -0.647 4.863) 10.146 2.288 ( -5.050 -6.846 2.937) 9.000 2.318 ( 8.242 -2.998 -1.359) 8.875 2.456 ( -1.632 -5.954 1.821) 6.437 2.930 ( 0.520 0.879 -1.406) 1.738 2.944 ( -1.076 -1.599 -5.881) 6.189 3.190 ( 1.227 -7.179 -2.941) 7.855 3.235 ( -2.741 -6.728 -1.504) 7.418 3.564 ( -2.141 0.289 -0.913) 2.346 3.597 ( -4.749 -2.147 -0.864) 5.283 3.772 ( -0.991 -3.970 0.189) 4.096 3.844 ( -6.925 -3.229 1.810) 7.852 5.309 ( 9.201 23.164 -0.706) 24.935 5.397 ( -0.102 25.654 2.327) 25.759 5.935 ( 22.240 3.702 -9.456) 24.448 6.258 ( 12.578 -1.028 -12.036) 17.439 6.408 ( -5.319 2.367 -7.301) 9.338 6.586 ( 13.815 3.699 5.154) 15.202 6.717 ( -6.571 -3.683 -6.122) 9.707 6.904 ( -17.030 7.512 -6.089) 19.584 7.044 ( 1.264 3.100 11.070) 11.565 7.206 ( -7.214 5.680 3.110) 9.695 7.549 ( -2.352 10.190 5.670) 11.896 7.594 ( -4.740 4.332 5.412) 8.398 7.747 ( 4.457 -9.311 3.511) 10.904 7.924 ( -11.329 -13.492 4.153) 18.101 8.200 ( 3.299 -11.328 -4.680) 12.693 8.292 ( -5.906 -14.250 -2.181) 15.579 9.563 ( 7.890 11.308 4.296) 14.442 9.698 ( -5.086 8.378 3.213) 10.314 10.098 ( -0.476 -3.623 3.024) 4.743 10.104 ( -0.987 -0.963 0.741) 1.565 10.418 ( 1.638 2.214 1.574) 3.172 10.471 ( -3.602 1.257 -0.063) 3.816 10.985 ( 5.421 -11.172 -2.445) 12.656 11.085 ( -3.642 -14.636 -1.705) 15.179 11.607 ( 5.619 23.560 5.396) 24.815 11.734 ( -7.026 22.973 6.876) 24.988 12.851 ( 12.009 10.890 -2.469) 16.399 13.077 ( -6.128 -2.705 0.327) 6.706 13.115 ( 6.701 -4.131 0.298) 7.878 13.279 ( -7.143 -14.639 9.609) 18.912 13.756 ( 8.742 -10.265 -9.682) 16.600 13.921 ( -7.711 -8.226 -6.756) 13.144 14.546 ( 18.940 11.031 -5.990) 22.722 14.747 ( -3.648 13.591 -6.121) 15.346 15.016 ( 17.568 10.890 -1.428) 20.719 15.486 ( -21.568 10.978 6.955) 25.180 15.631 ( 20.842 -8.117 -7.664) 23.644 16.060 ( -0.292 -28.754 0.179) 28.756 16.120 ( -18.660 -6.573 -13.150) 23.756 16.174 ( -7.517 -19.350 2.866) 20.956 16.690 ( 4.863 2.188 8.730) 10.230 16.806 ( -6.240 0.541 10.755) 12.446 17.073 ( 3.104 -7.479 1.809) 8.297 17.121 ( -1.422 -6.056 2.341) 6.647 19.271 ( 9.664 5.528 -1.249) 11.204 19.403 ( 1.978 3.241 -3.710) 5.309 19.430 ( -1.657 6.697 -2.914) 7.489 19.448 ( -6.564 4.555 -1.482) 8.126 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 23.680 2.010) 23.765 1.995 ( 0.000 14.935 1.272) 14.989 2.185 ( 0.000 -4.966 6.875) 8.482 2.549 ( 0.000 -18.247 7.618) 19.774 2.764 ( 0.000 9.220 0.643) 9.242 2.890 ( 0.000 -3.912 -5.455) 6.713 3.248 ( 0.000 9.268 -1.781) 9.437 3.425 ( 0.000 -8.062 1.614) 8.222 3.693 ( 0.000 5.027 -6.375) 8.119 3.851 ( 0.000 -7.643 -5.820) 9.607 4.029 ( 0.000 14.215 -3.494) 14.638 4.313 ( 0.000 -15.106 -3.781) 15.572 5.036 ( 0.000 3.262 0.277) 3.274 5.052 ( 0.000 1.248 6.353) 6.475 5.286 ( 0.000 5.580 11.490) 12.773 5.437 ( 0.000 -8.876 10.242) 13.553 5.955 ( 0.000 14.770 -10.249) 17.977 6.106 ( 0.000 4.246 -3.819) 5.711 6.515 ( 0.000 -3.071 8.798) 9.319 6.713 ( 0.000 -17.639 10.702) 20.632 7.325 ( 0.000 12.318 -11.499) 16.851 7.552 ( 0.000 -11.034 -14.701) 18.381 8.116 ( 0.000 7.501 10.743) 13.103 8.215 ( 0.000 0.024 1.686) 1.686 8.394 ( 0.000 -5.494 1.876) 5.805 8.394 ( 0.000 -2.742 -7.022) 7.538 8.810 ( 0.000 11.039 -1.982) 11.216 9.055 ( 0.000 -14.039 -0.390) 14.044 9.311 ( 0.000 2.754 -8.745) 9.169 9.353 ( 0.000 -2.031 -6.232) 6.555 9.962 ( 0.000 0.691 11.190) 11.211 9.979 ( 0.000 -0.832 5.772) 5.832 10.135 ( 0.000 1.310 -6.919) 7.042 10.187 ( 0.000 -3.848 -6.176) 7.277 10.896 ( 0.000 -0.490 6.909) 6.926 10.905 ( 0.000 -1.619 8.569) 8.720 11.613 ( 0.000 12.467 7.484) 14.541 11.806 ( 0.000 -7.789 7.885) 11.084 12.443 ( 0.000 13.286 -4.043) 13.888 12.635 ( 0.000 8.476 9.205) 12.513 12.713 ( 0.000 -13.450 -5.431) 14.505 12.748 ( 0.000 -2.953 3.131) 4.304 13.567 ( 0.000 37.686 4.948) 38.009 14.079 ( 0.000 6.985 -15.688) 17.173 14.266 ( 0.000 -9.300 -19.929) 21.992 14.328 ( 0.000 -37.191 0.963) 37.204 15.015 ( 0.000 2.499 -4.527) 5.171 15.093 ( 0.000 -4.968 -9.583) 10.794 16.042 ( 0.000 8.662 -5.335) 10.173 16.207 ( 0.000 -8.172 -5.478) 9.838 16.392 ( 0.000 7.677 -8.534) 11.479 16.524 ( 0.000 -5.549 -9.937) 11.381 16.872 ( 0.000 1.791 23.992) 24.059 16.894 ( 0.000 2.365 11.690) 11.927 16.945 ( 0.000 4.492 1.037) 4.610 17.155 ( 0.000 -13.452 -10.877) 17.299 18.738 ( 0.000 5.910 10.826) 12.334 18.857 ( 0.000 -6.432 10.326) 12.166 19.613 ( 0.000 7.314 -0.043) 7.314 19.704 ( 0.000 -2.224 -0.130) 2.228 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 2.582 22.221 1.143) 22.400 1.987 ( 0.194 16.288 5.112) 17.073 2.177 ( 0.110 -8.469 6.445) 10.642 2.501 ( -4.228 -20.937 7.377) 22.597 2.861 ( 7.171 6.009 -2.668) 9.729 2.916 ( 1.259 -2.241 -6.875) 7.340 3.201 ( -4.095 7.506 -2.236) 8.838 3.364 ( -5.363 -8.115 1.669) 9.869 3.740 ( 5.005 8.858 -5.074) 11.370 3.897 ( 2.670 -4.321 -6.311) 8.101 4.019 ( -1.189 11.742 -2.940) 12.163 4.265 ( -4.769 -13.245 -3.411) 14.485 5.023 ( 0.320 6.330 -0.310) 6.345 5.123 ( 3.835 -3.456 0.429) 5.180 5.304 ( 2.557 6.346 12.331) 14.102 5.441 ( 4.776 -7.386 12.500) 15.284 6.022 ( 5.526 15.328 -6.658) 17.601 6.149 ( 4.008 5.892 -3.377) 7.886 6.588 ( 6.382 -7.010 8.358) 12.638 6.712 ( -0.050 -15.160 10.471) 18.424 7.350 ( 2.253 11.589 -11.642) 16.581 7.560 ( 0.608 -9.952 -14.286) 17.421 8.009 ( -8.157 5.013 6.186) 11.399 8.119 ( -9.790 -5.924 5.642) 12.758 8.221 ( -9.406 6.866 -4.193) 12.377 8.350 ( -7.680 -6.006 -3.162) 10.249 8.682 ( -11.146 9.128 -0.646) 14.421 8.893 ( -13.424 -12.379 -1.471) 18.320 9.376 ( 7.615 11.993 -3.243) 14.572 9.582 ( 12.283 -8.551 -5.455) 15.929 9.970 ( 0.662 -0.139 6.843) 6.876 10.019 ( 3.766 -4.028 6.721) 8.694 10.222 ( 7.480 3.621 -6.775) 10.722 10.315 ( 11.637 -6.083 -3.244) 13.525 10.835 ( -5.136 0.024 5.889) 7.813 10.861 ( -3.929 -2.676 4.894) 6.823 11.694 ( 7.174 16.346 6.644) 19.047 11.958 ( 13.066 -10.966 7.556) 18.657 12.514 ( 0.805 13.988 1.425) 14.084 12.663 ( 9.225 8.032 3.190) 12.640 12.735 ( -0.832 -6.378 1.829) 6.687 12.812 ( 9.765 -9.029 -4.831) 14.149 13.614 ( 4.088 34.065 5.204) 34.702 13.962 ( -9.497 11.873 -11.635) 19.145 14.206 ( -4.106 -16.341 -12.619) 21.050 14.305 ( -3.842 -30.043 -3.417) 30.480 15.016 ( 0.231 -0.879 -6.196) 6.263 15.061 ( -2.015 -4.847 -7.187) 8.899 16.036 ( -2.159 10.053 -4.260) 11.130 16.223 ( -0.234 -8.641 -5.750) 10.382 16.373 ( -1.071 5.789 -7.294) 9.373 16.490 ( -1.016 -5.090 -11.051) 12.209 16.851 ( -2.096 6.141 13.829) 15.275 16.921 ( -1.758 5.813 2.702) 6.647 16.935 ( 2.487 -3.158 16.524) 17.006 17.129 ( -3.296 -13.622 -6.751) 15.556 18.806 ( 6.381 6.483 8.261) 12.288 18.937 ( 7.247 -7.200 7.038) 12.405 19.611 ( -0.242 7.045 -0.248) 7.053 19.696 ( -0.785 -1.933 -0.297) 2.107 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 7.129 15.705 0.910) 17.271 2.023 ( 3.073 10.183 5.728) 12.081 2.202 ( 2.393 -7.449 6.401) 10.108 2.420 ( -3.410 -15.307 7.816) 17.522 2.909 ( -1.163 -0.497 -5.202) 5.354 2.951 ( 0.753 -3.320 -7.994) 8.689 3.115 ( -3.720 4.160 -2.751) 6.222 3.248 ( -5.437 -7.928 1.962) 9.811 3.846 ( 2.000 6.782 -5.829) 9.164 3.877 ( -5.092 3.148 -6.015) 8.487 3.976 ( -3.188 7.381 -0.938) 8.095 4.128 ( -8.456 -8.498 -1.640) 12.100 5.087 ( 6.823 7.265 -3.382) 10.525 5.207 ( 9.062 -4.656 -6.668) 12.176 5.471 ( 12.852 12.216 12.349) 21.608 5.674 ( 16.525 -7.373 14.237) 23.024 6.134 ( 4.890 15.173 -4.048) 16.448 6.267 ( 7.866 3.950 -3.036) 9.311 6.701 ( 1.151 -8.706 8.574) 12.273 6.750 ( 7.025 -11.135 8.807) 15.840 7.400 ( 2.201 9.531 -11.265) 14.919 7.561 ( -1.167 -6.993 -12.049) 13.980 7.860 ( -5.900 3.170 3.223) 7.433 7.925 ( -10.217 -2.064 1.632) 10.550 7.992 ( -12.109 6.560 -3.952) 14.328 8.139 ( -11.990 -6.510 -5.416) 14.679 8.416 ( -14.298 4.221 5.224) 15.797 8.564 ( -18.349 -11.025 1.672) 21.472 9.531 ( 7.023 14.708 0.336) 16.302 9.755 ( 5.471 -6.337 -3.185) 8.958 9.990 ( 1.057 1.036 6.061) 6.239 10.091 ( 2.380 -6.649 8.039) 10.700 10.383 ( 7.460 7.375 -4.558) 11.437 10.565 ( 10.159 -10.985 -2.722) 15.208 10.727 ( -4.055 0.097 2.413) 4.719 10.779 ( -3.422 -4.744 0.497) 5.871 11.854 ( 7.866 22.396 3.990) 24.071 12.240 ( 13.389 -17.184 5.179) 22.391 12.439 ( -5.388 18.245 6.269) 20.030 12.707 ( -0.934 -7.813 0.393) 7.879 13.014 ( 18.507 3.262 -3.335) 19.086 13.099 ( 16.735 -5.473 -5.811) 18.542 13.679 ( -0.269 25.016 3.556) 25.269 13.835 ( 2.608 16.492 -1.520) 16.766 14.124 ( -6.584 -15.833 -2.354) 17.308 14.218 ( 1.115 -24.242 -8.833) 25.825 14.975 ( -2.067 3.496 -7.265) 8.324 15.120 ( 6.686 -12.057 -3.007) 14.111 15.914 ( -9.158 10.207 -3.100) 14.059 16.134 ( -8.341 -12.422 -3.389) 15.342 16.384 ( 1.519 8.282 -11.413) 14.182 16.519 ( 0.752 -3.465 -10.918) 11.479 16.760 ( -5.968 5.495 6.041) 10.115 16.872 ( -3.461 1.036 12.037) 12.567 16.975 ( -0.462 -5.478 8.645) 10.245 17.031 ( -3.588 -8.917 3.335) 10.174 18.976 ( 9.896 7.021 3.358) 12.589 19.111 ( 9.231 -6.992 1.614) 11.692 19.601 ( -0.815 6.176 -0.807) 6.281 19.670 ( -1.961 -1.056 -0.751) 2.350 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 9.170 6.654 1.727) 11.461 2.098 ( 4.509 3.174 1.859) 5.819 2.264 ( 2.957 -5.012 5.905) 8.290 2.357 ( -3.147 -7.586 5.285) 9.766 2.891 ( 0.163 0.025 -3.515) 3.519 2.943 ( -0.277 -3.574 -4.960) 6.120 3.065 ( -1.380 0.118 -2.829) 3.150 3.158 ( -3.499 -7.416 1.396) 8.318 3.731 ( -7.946 3.556 -4.414) 9.760 3.764 ( -7.471 2.221 -5.502) 9.540 3.866 ( -8.539 2.462 0.295) 8.892 3.948 ( -9.041 -4.452 0.920) 10.120 5.340 ( 17.414 12.115 -6.827) 22.286 5.506 ( 18.212 -5.358 -13.175) 23.107 5.744 ( 12.665 19.768 11.501) 26.143 6.043 ( 17.622 -9.983 12.646) 23.877 6.218 ( 4.734 14.377 -8.750) 17.483 6.454 ( 9.737 -7.129 -3.998) 12.713 6.717 ( 1.608 5.009 6.631) 8.464 6.905 ( 7.249 -11.613 8.884) 16.320 7.394 ( -5.493 4.429 -6.892) 9.863 7.482 ( -6.998 -5.313 -5.797) 10.526 7.591 ( -17.352 14.103 -7.560) 23.603 7.768 ( -3.693 1.423 3.112) 5.035 7.862 ( -4.332 0.426 -0.789) 4.424 7.928 ( -8.220 -8.779 -5.855) 13.376 8.133 ( -13.087 -1.866 7.174) 15.041 8.208 ( -14.580 -10.304 6.152) 18.883 9.658 ( 5.843 12.609 2.495) 14.119 9.834 ( 2.876 -2.389 -0.752) 3.814 9.993 ( -1.020 -0.059 7.267) 7.338 10.093 ( -2.074 -6.133 7.627) 10.005 10.499 ( 3.821 9.873 -1.559) 10.700 10.601 ( -2.188 3.604 -3.142) 5.258 10.740 ( -0.152 -7.366 -2.777) 7.874 10.771 ( 4.087 -14.341 -0.130) 14.913 11.997 ( 6.238 26.542 2.825) 27.411 12.329 ( -5.253 23.176 6.941) 24.757 12.477 ( 9.896 -22.493 3.072) 24.765 12.709 ( 1.138 -13.339 1.950) 13.528 13.208 ( 1.861 5.220 -3.787) 6.712 13.371 ( 9.178 -9.335 -7.199) 14.940 13.601 ( -6.734 18.909 -0.871) 20.091 13.928 ( -10.937 -13.441 -2.821) 17.556 14.189 ( 29.361 13.751 1.292) 32.447 14.491 ( 24.501 -17.172 -5.748) 30.467 14.990 ( 3.690 13.284 -3.119) 14.135 15.292 ( 9.871 -15.529 -1.253) 18.443 15.712 ( -9.836 7.146 -2.265) 12.367 15.933 ( -11.070 -13.545 -4.655) 18.102 16.246 ( -17.389 8.011 -4.195) 19.600 16.407 ( -13.968 -5.263 -8.918) 17.388 16.694 ( 0.830 4.421 6.616) 8.001 16.834 ( 2.629 -7.953 4.593) 9.552 16.928 ( -2.357 1.890 8.395) 8.922 17.022 ( -0.335 -5.984 5.470) 8.115 19.182 ( 10.115 6.250 -0.187) 11.892 19.287 ( 7.914 -4.439 -1.562) 9.207 19.575 ( -1.941 4.580 -1.569) 5.216 19.613 ( -3.725 0.389 -1.345) 3.980 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 5.424 3.741 2.961) 7.224 2.204 ( 3.455 -1.877 0.984) 4.053 2.270 ( -1.412 -2.084 0.408) 2.551 2.310 ( -1.500 -7.254 3.423) 8.160 2.933 ( 3.477 1.249 -3.415) 5.031 2.961 ( 1.566 1.093 -1.245) 2.280 3.047 ( -0.344 -4.759 -2.104) 5.215 3.091 ( -3.648 -6.602 0.027) 7.543 3.614 ( -2.559 3.377 -1.776) 4.594 3.642 ( -3.819 4.550 -0.922) 6.012 3.706 ( -3.922 -2.427 -0.401) 4.629 3.770 ( -7.739 -4.866 0.950) 9.191 5.689 ( 14.428 15.546 -6.468) 22.174 5.805 ( 5.817 11.853 -6.587) 14.755 5.959 ( 10.517 1.727 -3.671) 11.273 6.139 ( -4.939 -9.763 -3.227) 11.407 6.516 ( 20.053 6.910 -8.073) 22.695 6.618 ( 7.651 -3.458 -2.907) 8.885 6.759 ( -1.371 9.548 0.850) 9.683 6.932 ( -12.163 -5.769 -2.838) 13.758 7.179 ( -1.211 10.840 8.302) 13.707 7.344 ( -8.741 8.630 4.456) 13.067 7.413 ( 1.928 -11.812 3.618) 12.503 7.622 ( -13.636 -16.731 3.298) 21.835 7.774 ( -1.031 11.148 3.497) 11.729 7.804 ( -3.347 8.528 0.300) 9.166 7.991 ( -0.846 -10.145 -2.189) 10.413 8.029 ( -4.393 -12.738 1.155) 13.523 9.773 ( 5.455 10.272 4.531) 12.482 9.858 ( -1.781 7.338 3.886) 8.492 9.973 ( 0.663 -7.400 5.066) 8.992 10.028 ( -3.739 -6.787 5.161) 9.311 10.546 ( 1.542 10.322 -1.642) 10.565 10.573 ( -1.086 8.801 -2.553) 9.228 10.765 ( 2.144 -11.518 -3.098) 12.118 10.801 ( -0.804 -14.172 -1.777) 14.305 12.113 ( 5.529 28.105 4.398) 28.979 12.223 ( -5.365 27.027 6.465) 28.303 12.639 ( 6.216 -26.075 4.044) 27.109 12.719 ( -1.344 -23.172 5.132) 23.772 13.255 ( 5.193 13.447 -3.812) 14.910 13.418 ( -9.544 15.768 -3.376) 18.738 13.530 ( 7.464 -13.287 -7.089) 16.808 13.711 ( -10.248 -13.571 -5.103) 17.755 14.804 ( 26.123 15.321 -5.002) 30.694 15.035 ( 12.591 6.670 -7.210) 15.969 15.102 ( 17.022 4.728 -0.840) 17.686 15.490 ( 6.304 -17.399 0.144) 18.507 15.573 ( -3.163 -4.900 -2.866) 6.498 15.681 ( -11.875 2.491 -0.715) 12.154 15.842 ( -15.923 -5.042 2.471) 16.884 15.992 ( -23.097 -10.254 -1.088) 25.294 16.773 ( 5.105 6.405 4.432) 9.312 16.866 ( -3.782 5.385 5.968) 8.884 16.919 ( 4.285 -8.264 2.114) 9.545 16.991 ( -2.664 -7.124 3.173) 8.241 19.370 ( 8.391 4.434 -1.675) 9.637 19.425 ( 5.756 -0.984 -2.514) 6.357 19.516 ( -5.879 2.351 -1.886) 6.606 19.520 ( -3.765 2.116 -2.197) 4.845 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 0.000 27.083) 27.083 1.155 ( 0.000 0.000 27.591) 27.591 2.176 ( 0.000 0.000 48.972) 48.972 2.550 ( 0.000 0.000 8.933) 8.933 2.892 ( 0.000 0.000 -15.457) 15.457 3.222 ( 0.000 0.000 2.391) 2.391 3.349 ( 0.000 0.000 -3.894) 3.894 3.402 ( 0.000 0.000 -8.815) 8.815 3.405 ( 0.000 0.000 -22.359) 22.359 3.534 ( 0.000 0.000 -1.027) 1.027 3.887 ( 0.000 0.000 -11.232) 11.232 4.649 ( 0.000 0.000 -0.662) 0.662 4.835 ( 0.000 0.000 -5.382) 5.382 4.938 ( 0.000 0.000 5.935) 5.935 5.064 ( 0.000 0.000 16.021) 16.021 5.553 ( 0.000 0.000 -0.726) 0.726 5.869 ( 0.000 0.000 13.433) 13.433 5.941 ( 0.000 0.000 15.225) 15.225 6.780 ( 0.000 0.000 -5.887) 5.887 7.191 ( 0.000 0.000 3.699) 3.699 7.392 ( 0.000 0.000 -1.248) 1.248 7.525 ( 0.000 0.000 -0.142) 0.142 7.944 ( 0.000 0.000 -19.945) 19.945 8.062 ( 0.000 0.000 11.742) 11.742 8.259 ( 0.000 0.000 -17.387) 17.387 8.417 ( 0.000 0.000 -8.771) 8.771 8.442 ( 0.000 0.000 -4.265) 4.265 9.297 ( 0.000 0.000 -6.653) 6.653 9.385 ( 0.000 0.000 -6.220) 6.220 9.485 ( 0.000 0.000 -3.893) 3.893 9.797 ( 0.000 0.000 -6.707) 6.707 9.919 ( 0.000 0.000 -11.277) 11.277 10.378 ( 0.000 0.000 4.742) 4.742 10.868 ( 0.000 0.000 12.240) 12.240 11.057 ( 0.000 0.000 19.703) 19.703 11.390 ( 0.000 0.000 10.538) 10.538 11.476 ( 0.000 0.000 1.107) 1.107 11.505 ( 0.000 0.000 -3.914) 3.914 11.941 ( 0.000 0.000 -0.967) 0.967 12.100 ( 0.000 0.000 9.557) 9.557 12.255 ( 0.000 0.000 9.212) 9.212 12.674 ( 0.000 0.000 25.012) 25.012 13.259 ( 0.000 0.000 0.968) 0.968 13.542 ( 0.000 0.000 -18.752) 18.752 14.255 ( 0.000 0.000 -18.376) 18.376 14.797 ( 0.000 0.000 -21.916) 21.916 15.201 ( 0.000 0.000 -8.337) 8.337 15.237 ( 0.000 0.000 -18.993) 18.993 15.769 ( 0.000 0.000 -6.433) 6.433 16.450 ( 0.000 0.000 13.927) 13.927 16.598 ( 0.000 0.000 4.496) 4.496 16.670 ( 0.000 0.000 -6.456) 6.456 16.697 ( 0.000 0.000 -10.592) 10.592 16.849 ( 0.000 0.000 -4.245) 4.245 17.308 ( 0.000 0.000 16.946) 16.946 17.556 ( 0.000 0.000 2.729) 2.729 18.854 ( 0.000 0.000 16.414) 16.414 19.108 ( 0.000 0.000 0.526) 0.526 19.392 ( 0.000 0.000 -2.040) 2.040 19.643 ( 0.000 0.000 -0.293) 0.293 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 16.215 0.000 21.758) 27.135 1.349 ( 17.367 0.000 22.276) 28.246 2.393 ( 19.660 0.000 38.021) 42.803 2.566 ( 1.319 0.000 8.117) 8.223 2.937 ( 4.815 0.000 -11.018) 12.024 3.138 ( -5.543 0.000 -1.316) 5.697 3.292 ( -7.504 0.000 -13.834) 15.739 3.382 ( -2.214 0.000 2.380) 3.251 3.391 ( -4.652 0.000 -13.348) 14.136 3.522 ( 3.087 0.000 -4.116) 5.145 3.872 ( -1.413 0.000 -10.796) 10.889 4.647 ( -0.171 0.000 -0.915) 0.931 4.745 ( -8.568 0.000 -4.716) 9.780 4.868 ( -3.703 0.000 7.781) 8.618 5.109 ( 2.864 0.000 7.735) 8.248 5.427 ( -8.254 0.000 1.955) 8.482 6.017 ( 13.251 0.000 15.506) 20.397 6.029 ( 6.259 0.000 14.540) 15.830 6.795 ( 1.300 0.000 -5.716) 5.862 7.290 ( 8.188 0.000 0.036) 8.188 7.347 ( -4.336 0.000 -1.147) 4.485 7.477 ( -5.061 0.000 -0.106) 5.062 7.914 ( -2.895 0.000 -16.663) 16.913 7.919 ( -12.288 0.000 1.521) 12.382 8.216 ( -3.568 0.000 -14.479) 14.912 8.330 ( -9.484 0.000 -1.470) 9.598 8.554 ( 10.984 0.000 -0.688) 11.006 8.950 ( -17.428 0.000 5.798) 18.367 9.323 ( -11.273 0.000 -5.956) 12.749 9.544 ( 4.655 0.000 -3.924) 6.088 9.884 ( -2.888 0.000 -11.182) 11.549 9.995 ( 11.499 0.000 -12.050) 16.656 10.448 ( 6.913 0.000 5.069) 8.572 10.896 ( 2.690 0.000 12.009) 12.307 11.071 ( -4.140 0.000 13.343) 13.970 11.314 ( -6.301 0.000 12.582) 14.071 11.554 ( 7.633 0.000 1.894) 7.865 11.593 ( 8.835 0.000 -12.248) 15.102 11.986 ( -8.765 0.000 11.605) 14.543 12.046 ( 10.021 0.000 -2.964) 10.450 12.505 ( 22.231 0.000 9.302) 24.099 12.908 ( 20.390 0.000 22.946) 30.697 13.219 ( -1.767 0.000 -1.345) 2.220 13.628 ( 6.828 0.000 -11.820) 13.651 14.194 ( -5.722 0.000 -17.808) 18.705 14.814 ( 1.906 0.000 -21.948) 22.030 15.076 ( -13.576 0.000 -19.639) 23.874 15.119 ( -8.303 0.000 -5.961) 10.222 15.854 ( 5.882 0.000 -4.494) 7.402 16.243 ( -8.802 0.000 12.238) 15.074 16.687 ( 1.404 0.000 -6.119) 6.278 16.723 ( 2.298 0.000 -8.303) 8.615 16.847 ( 0.006 0.000 -3.524) 3.524 16.868 ( 14.499 0.000 1.136) 14.543 17.231 ( -5.324 0.000 19.278) 20.000 17.584 ( 0.787 0.000 0.191) 0.810 18.864 ( 1.106 0.000 14.463) 14.505 19.104 ( -0.401 0.000 -0.150) 0.428 19.347 ( -3.931 0.000 -3.379) 5.184 19.619 ( -2.311 0.000 -0.575) 2.382 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 17.967 0.000 15.866) 23.970 1.765 ( 21.901 0.000 13.467) 25.710 2.582 ( -0.441 0.000 5.193) 5.211 2.772 ( 11.880 0.000 -0.524) 11.891 2.995 ( -4.176 0.000 2.740) 4.995 3.116 ( -9.869 0.000 -8.909) 13.295 3.161 ( 8.629 0.000 10.501) 13.591 3.238 ( -8.651 0.000 -8.477) 12.112 3.323 ( 4.306 0.000 -4.021) 5.891 3.655 ( 8.765 0.000 -0.626) 8.787 3.837 ( -1.482 0.000 -8.721) 8.846 4.517 ( -12.959 0.000 -2.424) 13.184 4.645 ( -0.083 0.000 -1.390) 1.393 4.822 ( -1.818 0.000 5.130) 5.442 5.203 ( 7.928 0.000 -0.429) 7.940 5.305 ( -3.244 0.000 -0.786) 3.338 6.175 ( 8.814 0.000 15.262) 17.624 6.341 ( 17.645 0.000 16.433) 24.112 6.818 ( 0.323 0.000 -6.996) 7.003 7.226 ( -7.299 0.000 -2.009) 7.571 7.279 ( -13.561 0.000 -5.802) 14.750 7.475 ( 7.034 0.000 -1.435) 7.179 7.607 ( -17.548 0.000 -2.742) 17.761 7.827 ( -5.226 0.000 -7.282) 8.963 8.119 ( -10.901 0.000 1.691) 11.032 8.177 ( 0.940 0.000 -10.513) 10.555 8.687 ( -9.878 0.000 7.434) 12.363 8.806 ( 13.392 0.000 4.368) 14.087 9.046 ( -14.644 0.000 -4.366) 15.281 9.622 ( 2.254 0.000 -2.875) 3.653 9.835 ( -1.128 0.000 -10.110) 10.173 10.158 ( 5.197 0.000 -8.918) 10.321 10.596 ( 5.081 0.000 7.166) 8.785 10.962 ( -4.668 0.000 4.276) 6.331 10.974 ( 4.962 0.000 11.654) 12.667 11.116 ( -10.363 0.000 11.425) 15.424 11.738 ( 2.508 0.000 -10.274) 10.575 11.752 ( 4.522 0.000 7.299) 8.586 11.824 ( 0.301 0.000 7.553) 7.559 12.314 ( 15.449 0.000 -5.941) 16.552 13.034 ( 27.464 0.000 8.881) 28.865 13.253 ( 5.858 0.000 -4.488) 7.379 13.411 ( 27.296 0.000 20.149) 33.927 13.774 ( 7.216 0.000 -5.040) 8.802 14.055 ( -6.170 0.000 -15.943) 17.095 14.755 ( -17.460 0.000 -20.358) 26.820 14.833 ( -9.111 0.000 -19.350) 21.388 14.931 ( -0.074 0.000 -2.797) 2.798 15.924 ( -0.269 0.000 -0.877) 0.917 16.145 ( -1.924 0.000 6.768) 7.036 16.712 ( 1.049 0.000 -4.004) 4.139 16.757 ( 0.513 0.000 -6.859) 6.878 16.856 ( 0.817 0.000 -1.844) 2.017 17.101 ( 7.921 0.000 0.187) 7.923 17.158 ( -0.874 0.000 17.747) 17.769 17.548 ( -4.378 0.000 2.134) 4.870 18.905 ( 3.143 0.000 9.327) 9.843 19.094 ( -0.517 0.000 -1.978) 2.044 19.258 ( -4.488 0.000 -6.439) 7.849 19.550 ( -4.555 0.000 -1.314) 4.741 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 17.349 0.000 10.647) 20.356 2.160 ( 15.436 0.000 4.420) 16.056 2.532 ( -4.279 0.000 0.828) 4.358 2.803 ( -6.784 0.000 -2.281) 7.157 2.920 ( -7.300 0.000 -2.687) 7.778 2.984 ( 3.811 0.000 -11.505) 12.120 3.113 ( -3.880 0.000 -4.043) 5.604 3.160 ( -1.665 0.000 1.298) 2.111 3.497 ( 2.166 0.000 -1.535) 2.655 3.767 ( -3.322 0.000 -8.994) 9.587 3.999 ( 19.664 0.000 12.071) 23.073 4.296 ( -6.684 0.000 2.752) 7.229 4.638 ( -0.527 0.000 0.354) 0.635 4.766 ( -3.705 0.000 4.638) 5.936 5.329 ( 7.420 0.000 -5.446) 9.204 5.460 ( 17.333 0.000 -8.859) 19.465 6.390 ( 10.913 0.000 11.287) 15.700 6.680 ( 14.303 0.000 13.388) 19.591 6.737 ( -11.294 0.000 -16.351) 19.873 6.916 ( -20.389 0.000 -6.678) 21.455 7.104 ( -2.262 0.000 2.208) 3.161 7.294 ( -10.868 0.000 2.619) 11.179 7.474 ( -9.088 0.000 -4.310) 10.058 7.818 ( 6.321 0.000 0.959) 6.393 7.885 ( -12.583 0.000 4.041) 13.215 8.246 ( 4.554 0.000 -9.357) 10.406 8.503 ( -8.675 0.000 7.286) 11.329 8.777 ( -11.293 0.000 -3.224) 11.745 9.076 ( 13.120 0.000 5.321) 14.158 9.618 ( -2.777 0.000 -0.512) 2.824 9.861 ( 3.859 0.000 -6.735) 7.762 10.218 ( 0.564 0.000 -4.775) 4.808 10.600 ( -3.151 0.000 6.814) 7.507 10.775 ( -11.969 0.000 4.511) 12.791 11.093 ( 6.777 0.000 11.475) 13.327 11.114 ( 8.004 0.000 5.440) 9.678 11.603 ( -9.213 0.000 12.656) 15.655 11.686 ( -6.545 0.000 -2.348) 6.953 12.115 ( 17.711 0.000 1.103) 17.746 12.609 ( 11.849 0.000 -6.636) 13.581 13.429 ( 12.419 0.000 0.782) 12.444 13.530 ( 18.537 0.000 -1.708) 18.616 13.726 ( -0.200 0.000 -5.662) 5.665 13.903 ( 5.086 0.000 -1.626) 5.340 14.228 ( 27.953 0.000 7.054) 28.829 14.391 ( -18.268 0.000 -20.057) 27.129 14.511 ( -17.947 0.000 -7.001) 19.264 15.119 ( 15.321 0.000 -10.153) 18.380 15.804 ( -12.123 0.000 2.658) 12.411 16.098 ( -4.730 0.000 -0.755) 4.789 16.742 ( 2.150 0.000 -0.748) 2.277 16.760 ( 1.177 0.000 -1.181) 1.667 16.867 ( -0.129 0.000 0.158) 0.204 17.135 ( -1.750 0.000 6.393) 6.628 17.231 ( 3.973 0.000 4.859) 6.277 17.434 ( -5.612 0.000 8.334) 10.047 18.995 ( 5.818 0.000 3.324) 6.700 19.086 ( -0.155 0.000 -4.424) 4.427 19.176 ( -3.511 0.000 -8.559) 9.251 19.437 ( -6.527 0.000 -2.152) 6.872 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 15.343 0.000 6.344) 16.603 2.344 ( 4.384 0.000 -3.155) 5.401 2.431 ( -5.071 0.000 -2.615) 5.706 2.613 ( -11.668 0.000 2.714) 11.979 2.910 ( 5.508 0.000 1.581) 5.730 3.033 ( -5.086 0.000 -0.162) 5.088 3.065 ( 3.990 0.000 -11.668) 12.331 3.133 ( -2.094 0.000 -8.824) 9.069 3.511 ( 2.402 0.000 -3.178) 3.983 3.628 ( -8.287 0.000 -6.693) 10.652 4.258 ( 4.006 0.000 10.902) 11.615 4.271 ( 2.438 0.000 9.112) 9.433 4.639 ( 1.072 0.000 2.898) 3.089 4.688 ( -3.572 0.000 4.379) 5.651 5.670 ( 25.579 0.000 -8.597) 26.985 5.875 ( 23.009 0.000 -14.938) 27.432 6.239 ( -26.882 0.000 -7.937) 28.029 6.352 ( -23.275 0.000 -18.648) 29.824 6.849 ( 15.130 0.000 6.595) 16.505 6.899 ( 7.514 0.000 7.091) 10.332 7.035 ( -6.434 0.000 5.091) 8.205 7.196 ( -16.878 0.000 2.028) 16.999 7.322 ( 12.209 0.000 7.060) 14.103 7.609 ( -14.640 0.000 6.443) 15.995 8.000 ( 10.394 0.000 -0.072) 10.394 8.211 ( -9.402 0.000 -2.896) 9.838 8.454 ( 5.219 0.000 0.502) 5.243 8.592 ( -7.723 0.000 -2.283) 8.054 9.322 ( 11.063 0.000 4.349) 11.887 9.512 ( -7.530 0.000 2.206) 7.847 9.987 ( 8.262 0.000 -2.656) 8.679 10.156 ( -6.927 0.000 -1.275) 7.044 10.547 ( -0.688 0.000 3.687) 3.751 10.593 ( -5.427 0.000 2.406) 5.937 11.244 ( 8.172 0.000 11.626) 14.211 11.309 ( 10.359 0.000 4.878) 11.450 11.418 ( -8.989 0.000 12.112) 15.083 11.515 ( -9.780 0.000 2.765) 10.164 12.467 ( 16.051 0.000 -0.812) 16.072 12.696 ( -4.583 0.000 -3.659) 5.865 13.693 ( 12.291 0.000 0.755) 12.314 13.764 ( 7.833 0.000 -15.395) 17.273 13.778 ( 5.523 0.000 -1.883) 5.835 13.973 ( 3.008 0.000 -1.950) 3.585 14.029 ( -16.737 0.000 -18.533) 24.973 14.160 ( -15.633 0.000 -7.533) 17.353 14.868 ( 31.594 0.000 10.081) 33.163 15.437 ( -23.912 0.000 6.646) 24.819 15.507 ( 21.324 0.000 -8.465) 22.943 15.896 ( -15.568 0.000 -6.678) 16.940 16.795 ( 2.849 0.000 1.193) 3.088 16.845 ( 7.243 0.000 3.569) 8.074 16.846 ( -1.929 0.000 1.429) 2.401 17.019 ( -8.792 0.000 4.321) 9.797 17.301 ( 3.156 0.000 6.975) 7.656 17.357 ( -2.617 0.000 8.900) 9.276 19.091 ( 0.751 0.000 -6.865) 6.906 19.119 ( -2.080 0.000 -8.554) 8.803 19.133 ( 7.649 0.000 -0.840) 7.695 19.292 ( -7.776 0.000 -2.365) 8.128 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 7.773 24.442) 25.648 1.285 ( 0.000 17.876 22.307) 28.585 2.382 ( 0.000 18.542 41.333) 45.301 2.569 ( 0.000 0.254 7.232) 7.236 2.877 ( 0.000 -0.254 -13.256) 13.258 3.066 ( 0.000 -10.677 -3.871) 11.357 3.181 ( 0.000 -12.252 -6.368) 13.808 3.441 ( 0.000 3.950 -6.689) 7.768 3.527 ( 0.000 7.769 -17.009) 18.699 3.600 ( 0.000 2.049 -1.059) 2.306 3.814 ( 0.000 -6.711 -9.248) 11.427 4.708 ( 0.000 -9.622 -5.685) 11.176 4.811 ( 0.000 12.902 -3.119) 13.274 5.084 ( 0.000 10.755 9.305) 14.221 5.129 ( 0.000 7.832 12.649) 14.877 5.468 ( 0.000 -5.271 2.306) 5.754 5.889 ( 0.000 2.205 10.924) 11.144 5.914 ( 0.000 -2.904 14.979) 15.258 6.821 ( 0.000 4.132 -6.559) 7.752 7.097 ( 0.000 -9.601 4.228) 10.490 7.448 ( 0.000 -8.106 0.031) 8.106 7.475 ( 0.000 4.092 -4.688) 6.223 7.891 ( 0.000 -1.625 -16.306) 16.387 8.109 ( 0.000 4.454 12.693) 13.452 8.248 ( 0.000 -1.085 -16.946) 16.980 8.463 ( 0.000 2.424 -5.421) 5.938 8.551 ( 0.000 10.126 -9.968) 14.209 9.132 ( 0.000 -12.345 -6.251) 13.837 9.348 ( 0.000 -3.459 -6.428) 7.299 9.463 ( 0.000 -4.676 -3.211) 5.673 9.821 ( 0.000 1.931 -8.262) 8.485 9.907 ( 0.000 -0.997 -11.137) 11.182 10.360 ( 0.000 -1.679 6.234) 6.456 10.786 ( 0.000 -18.494 19.872) 27.146 10.952 ( 0.000 7.309 12.062) 14.103 11.284 ( 0.000 -5.703 12.144) 13.416 11.409 ( 0.000 2.722 10.035) 10.398 11.972 ( 0.000 25.070 -10.977) 27.368 11.997 ( 0.000 5.599 -1.999) 5.946 12.184 ( 0.000 0.398 8.152) 8.162 12.393 ( 0.000 20.251 4.555) 20.757 12.708 ( 0.000 3.362 23.846) 24.082 13.202 ( 0.000 -5.476 1.842) 5.777 13.556 ( 0.000 1.521 -19.106) 19.167 14.211 ( 0.000 -4.885 -17.341) 18.016 14.767 ( 0.000 -3.099 -21.464) 21.686 15.125 ( 0.000 -6.756 -5.852) 8.939 15.253 ( 0.000 0.308 -14.632) 14.635 15.835 ( 0.000 6.149 -5.390) 8.177 16.216 ( 0.000 -14.835 7.594) 16.665 16.417 ( 0.000 -16.164 -3.581) 16.556 16.613 ( 0.000 -4.306 -2.942) 5.215 16.696 ( 0.000 -1.269 -8.535) 8.629 17.009 ( 0.000 8.937 -0.623) 8.959 17.322 ( 0.000 0.886 17.148) 17.170 17.485 ( 0.000 -6.990 3.680) 7.900 18.857 ( 0.000 0.925 15.077) 15.105 19.221 ( 0.000 10.216 0.916) 10.257 19.311 ( 0.000 -7.019 2.230) 7.365 19.666 ( 0.000 2.068 -0.347) 2.097 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 14.089 4.837 21.094) 25.824 1.457 ( 13.612 13.481 19.665) 27.454 2.552 ( 12.940 11.116 24.355) 29.735 2.576 ( 1.619 2.253 10.505) 10.865 2.927 ( 5.754 -0.804 -7.353) 9.371 3.014 ( -4.905 -9.201 -4.141) 11.219 3.143 ( -2.688 -9.587 -6.852) 12.087 3.426 ( -4.267 1.574 -5.469) 7.113 3.492 ( -3.632 6.623 -10.214) 12.703 3.579 ( 1.245 4.504 -3.863) 6.063 3.812 ( -0.562 -5.409 -9.296) 10.769 4.612 ( -8.617 -8.784 -5.119) 13.327 4.781 ( -2.417 9.507 -1.020) 9.863 5.008 ( -2.712 11.611 7.739) 14.215 5.206 ( 3.167 8.443 7.854) 11.958 5.385 ( -5.256 -1.316 1.345) 5.582 5.965 ( 5.813 -2.656 14.621) 15.957 6.054 ( 13.050 0.735 14.026) 19.172 6.838 ( 1.528 4.243 -6.124) 7.605 7.177 ( 6.473 -9.604 2.053) 11.763 7.398 ( -5.088 -8.207 0.874) 9.696 7.452 ( -2.183 5.740 -4.881) 7.844 7.825 ( -6.367 -3.734 -14.598) 16.358 7.996 ( -9.038 4.947 3.619) 10.920 8.199 ( -4.090 -1.688 -13.753) 14.447 8.345 ( -10.210 1.434 -3.141) 10.778 8.679 ( 9.571 8.506 -2.029) 12.964 8.854 ( -14.092 -5.907 2.788) 15.532 9.265 ( -10.800 -5.774 -5.117) 13.273 9.555 ( 5.364 0.649 -4.136) 6.804 9.905 ( 0.187 1.644 -11.034) 11.157 9.981 ( 10.258 -1.253 -11.876) 15.743 10.416 ( 5.591 -2.992 6.935) 9.397 10.907 ( 5.593 -8.963 12.458) 16.335 10.998 ( 3.889 -0.271 14.305) 14.827 11.192 ( -2.682 -9.492 4.796) 10.967 11.344 ( -6.570 2.182 10.159) 12.293 12.023 ( 2.860 21.089 -5.218) 21.912 12.104 ( 9.358 6.438 -2.767) 11.691 12.202 ( -5.296 18.284 2.827) 19.245 12.490 ( 20.218 -0.670 8.314) 21.871 12.943 ( 17.756 2.820 18.854) 26.052 13.190 ( 1.207 -1.929 1.568) 2.763 13.615 ( 4.847 -0.943 -12.077) 13.048 14.173 ( -3.842 -2.607 -17.491) 18.096 14.743 ( -2.196 -6.907 -21.004) 22.219 15.058 ( -6.359 -4.635 -3.755) 8.719 15.146 ( -9.547 4.533 -17.597) 20.527 15.885 ( 3.983 2.322 -0.671) 4.659 16.162 ( -2.532 -6.642 6.019) 9.314 16.479 ( 3.481 -17.067 -6.572) 18.617 16.625 ( 0.817 -9.345 -4.771) 10.524 16.722 ( 2.365 -1.655 -5.527) 6.235 17.069 ( 4.984 7.314 -0.463) 8.863 17.245 ( -5.180 0.878 19.332) 20.033 17.514 ( 0.778 -6.919 1.608) 7.146 18.867 ( 1.060 0.948 13.079) 13.156 19.217 ( -0.367 10.175 0.262) 10.185 19.292 ( -1.707 -4.933 -0.211) 5.224 19.644 ( -2.168 2.240 -0.630) 3.181 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 18.010 3.910 13.470) 22.827 1.770 ( 17.847 4.056 16.137) 24.400 2.570 ( -0.896 -1.498 5.162) 5.450 2.769 ( 5.009 -2.171 -5.810) 7.972 2.874 ( -8.348 -7.309 -3.515) 11.639 3.001 ( -1.748 -7.803 -2.037) 8.252 3.219 ( 1.059 -0.924 -3.060) 3.368 3.341 ( 3.069 9.086 7.240) 12.016 3.398 ( 0.081 6.843 -6.889) 9.711 3.667 ( 6.565 2.012 -1.012) 6.940 3.784 ( -1.754 -4.561 -7.443) 8.904 4.390 ( -12.583 -8.913 -3.271) 15.763 4.752 ( -0.242 8.800 -1.437) 8.920 5.000 ( 1.596 14.345 6.062) 15.655 5.242 ( 0.932 1.002 0.824) 1.598 5.343 ( 2.647 8.076 -2.445) 8.844 6.130 ( 10.665 -2.100 14.595) 18.198 6.364 ( 16.541 0.805 15.168) 22.458 6.869 ( 0.953 4.878 -6.597) 8.260 7.190 ( -11.265 -7.727 -2.790) 13.942 7.281 ( -4.592 0.765 -2.673) 5.368 7.431 ( 1.458 -1.246 -2.280) 2.979 7.620 ( -12.456 -0.649 -7.061) 14.333 7.834 ( -6.420 1.879 -2.797) 7.250 8.102 ( -6.611 -3.211 -2.543) 7.777 8.152 ( -5.190 -0.832 -5.444) 7.568 8.613 ( -8.932 -6.392 5.933) 12.484 8.874 ( 0.623 0.777 -1.710) 1.979 9.046 ( -3.068 5.103 1.155) 6.065 9.635 ( 2.634 1.561 -3.114) 4.367 9.910 ( 0.335 6.700 -9.245) 11.422 10.134 ( 4.984 -2.281 -8.390) 10.022 10.548 ( 5.335 -4.688 7.981) 10.684 10.919 ( -7.472 -3.777 7.068) 10.957 10.956 ( -0.380 -3.725 8.598) 9.379 11.193 ( -2.082 7.554 9.843) 12.581 11.366 ( 9.807 -16.637 0.805) 19.329 11.935 ( -9.355 13.833 12.448) 20.828 12.169 ( 3.929 19.893 -7.304) 21.553 12.400 ( 15.819 8.208 -6.930) 19.122 12.988 ( 24.977 -4.652 8.961) 26.940 13.191 ( 8.243 -5.657 -5.072) 11.210 13.466 ( 24.241 5.152 18.214) 30.756 13.721 ( 5.380 -4.369 -3.957) 7.980 14.070 ( -5.007 0.865 -15.268) 16.091 14.661 ( -6.830 -8.791 -20.640) 23.451 14.847 ( -15.036 -0.713 -6.936) 16.574 14.999 ( -0.911 7.531 -11.880) 14.095 15.945 ( 0.470 1.565 2.622) 3.090 16.145 ( 0.133 -0.384 1.981) 2.022 16.511 ( 0.145 -18.024 -5.702) 18.906 16.649 ( 1.327 -13.286 -4.339) 14.040 16.763 ( 1.061 -1.660 -3.062) 3.641 17.127 ( -0.913 -0.466 7.976) 8.041 17.205 ( 2.545 3.253 9.685) 10.529 17.480 ( -4.098 -6.941 3.233) 8.685 18.908 ( 3.293 1.244 7.771) 8.531 19.207 ( -0.583 9.868 -1.554) 10.007 19.252 ( -2.000 -0.604 -4.259) 4.744 19.578 ( -4.323 2.669 -1.359) 5.259 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 13.457 2.475 9.193) 16.484 2.145 ( 16.666 -1.976 7.753) 18.487 2.536 ( -2.171 0.289 1.583) 2.702 2.661 ( -9.184 -11.301 -1.150) 14.608 2.844 ( 1.053 -1.775 -9.318) 9.544 2.963 ( -2.329 -9.371 -5.770) 11.248 3.128 ( -2.949 5.151 -5.170) 7.871 3.267 ( -4.091 5.065 -0.290) 6.517 3.518 ( -0.216 2.117 -2.887) 3.587 3.745 ( -3.169 -2.961 -6.382) 7.716 3.907 ( 12.466 -6.349 9.208) 16.748 4.159 ( -8.318 -9.301 1.453) 12.562 4.789 ( 4.931 13.087 1.026) 14.023 5.025 ( -0.377 21.640 6.137) 22.497 5.325 ( 9.724 -0.366 -7.160) 12.082 5.518 ( 14.667 6.472 -8.476) 18.134 6.384 ( 13.198 0.711 10.820) 17.080 6.662 ( 8.886 -2.625 9.524) 13.288 6.783 ( -13.761 1.360 -14.522) 20.053 6.885 ( -13.332 0.268 -5.807) 14.544 7.159 ( -3.892 5.122 1.923) 6.714 7.290 ( -9.890 0.461 2.067) 10.115 7.543 ( -2.704 3.425 -2.717) 5.140 7.739 ( -1.542 -3.076 1.093) 3.610 7.941 ( -6.664 1.780 5.237) 8.660 8.168 ( 4.370 -7.178 -8.111) 11.680 8.431 ( -9.645 -6.485 6.136) 13.143 8.676 ( -11.440 -9.182 -2.579) 14.894 9.215 ( 11.511 12.493 5.319) 17.801 9.661 ( -0.388 3.957 -0.037) 3.976 9.926 ( 1.874 6.770 -6.745) 9.739 10.197 ( 1.174 -2.143 -4.189) 4.849 10.567 ( -2.735 -3.183 6.878) 8.057 10.706 ( -11.032 -5.367 4.684) 13.132 11.033 ( 7.524 -7.150 3.948) 11.105 11.238 ( 5.070 11.456 10.732) 16.496 11.479 ( 0.256 -14.271 1.167) 14.321 11.742 ( -9.427 13.339 12.219) 20.399 12.310 ( 10.795 14.853 -2.025) 18.473 12.699 ( 11.876 8.506 -7.766) 16.544 13.329 ( 10.807 -10.432 6.101) 16.212 13.446 ( 12.858 -6.218 -11.878) 18.576 13.792 ( 0.311 -3.788 2.361) 4.475 13.838 ( 7.675 3.060 -1.798) 8.455 14.153 ( 13.478 -6.393 -0.240) 14.920 14.478 ( -11.534 6.813 -18.827) 23.107 14.570 ( -4.124 4.800 -3.833) 7.398 15.133 ( 13.810 1.782 -7.756) 15.939 15.844 ( -11.408 3.935 3.275) 12.504 16.118 ( -4.507 1.447 -3.207) 5.717 16.527 ( 1.879 -20.508 -0.977) 20.617 16.661 ( -0.271 -15.666 -0.689) 15.684 16.769 ( 0.729 -0.755 1.002) 1.451 17.104 ( -1.875 -2.964 5.871) 6.839 17.249 ( 1.068 -0.560 4.717) 4.869 17.375 ( -5.145 -6.006 8.750) 11.794 19.004 ( 6.112 2.055 1.584) 6.640 19.195 ( -0.619 8.653 -4.365) 9.712 19.218 ( -1.167 4.199 -5.937) 7.365 19.471 ( -6.328 3.151 -2.177) 7.396 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 7.411 -4.129 1.753) 8.663 2.343 ( -0.472 -3.452 -0.979) 3.619 2.494 ( 2.650 2.646 2.600) 4.559 2.575 ( -1.526 -4.025 4.914) 6.533 2.852 ( 0.790 -2.625 -5.627) 6.259 2.901 ( -3.050 -8.448 -6.274) 10.957 3.133 ( 2.143 3.581 -5.321) 6.762 3.193 ( -3.543 2.718 -4.285) 6.188 3.515 ( 2.251 0.391 -3.205) 3.936 3.622 ( -7.430 -1.038 -5.094) 9.068 4.024 ( 2.428 -14.951 7.522) 16.911 4.077 ( -2.442 -13.278 7.283) 15.340 4.914 ( 5.365 20.315 2.967) 21.220 4.990 ( -2.636 23.177 4.522) 23.761 5.684 ( 25.098 1.608 -9.874) 27.018 5.907 ( 22.956 3.576 -14.205) 27.231 6.234 ( -26.457 -0.330 -10.452) 28.448 6.401 ( -24.646 4.286 -17.170) 30.341 6.755 ( 13.573 -4.881 7.754) 16.376 6.909 ( 2.381 -1.635 4.548) 5.388 7.113 ( -2.082 6.996 7.204) 10.256 7.184 ( -3.827 2.164 3.833) 5.833 7.468 ( 1.900 10.381 5.567) 11.932 7.629 ( -9.961 1.966 4.498) 11.105 7.971 ( 8.336 -3.309 3.044) 9.472 8.169 ( -9.258 -4.399 -1.381) 10.343 8.337 ( 5.283 -11.160 0.175) 12.348 8.483 ( -8.184 -10.216 -2.025) 13.246 9.435 ( 9.864 10.587 4.746) 15.229 9.598 ( -5.941 8.063 2.956) 10.443 10.012 ( 6.582 2.736 -3.140) 7.789 10.154 ( -5.815 -0.263 -1.082) 5.921 10.508 ( -1.166 -3.550 2.854) 4.702 10.546 ( -4.618 -4.106 1.891) 6.462 11.207 ( 8.824 -9.573 4.670) 13.832 11.334 ( 0.374 -1.957 8.689) 8.915 11.433 ( 0.186 3.698 6.149) 7.177 11.559 ( -8.585 13.616 11.372) 19.709 12.574 ( 13.790 9.867 -2.005) 17.074 12.784 ( -4.577 8.472 -4.831) 10.773 13.531 ( 9.951 -14.623 0.426) 17.693 13.672 ( 12.010 -5.590 -11.681) 17.662 13.713 ( -6.923 -12.893 -3.165) 14.973 13.897 ( -6.083 -0.735 -0.036) 6.127 14.164 ( -1.123 4.069 -13.633) 14.272 14.256 ( -8.309 13.577 -14.691) 21.661 14.944 ( 28.809 6.808 9.011) 30.944 15.482 ( -16.921 3.590 3.905) 17.733 15.515 ( 15.159 1.475 -4.787) 15.965 15.910 ( -16.161 1.096 -7.104) 17.687 16.578 ( 2.900 -20.316 2.174) 20.636 16.634 ( -2.329 -18.860 2.343) 19.147 16.843 ( 6.656 -0.774 3.845) 7.726 17.002 ( -7.855 -2.074 3.894) 9.009 17.270 ( 1.535 -4.129 6.286) 7.676 17.307 ( -2.105 -4.882 8.019) 9.621 19.138 ( 5.930 3.812 -4.064) 8.137 19.184 ( -0.562 7.299 -6.866) 10.037 19.214 ( 1.621 6.535 -4.067) 7.866 19.329 ( -7.489 3.552 -2.382) 8.624 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 15.834 15.683) 22.286 1.701 ( 0.000 23.752 14.535) 27.846 2.479 ( 0.000 -9.736 2.346) 10.015 2.712 ( 0.000 10.090 18.727) 21.272 2.850 ( 0.000 -6.016 -6.094) 8.563 2.967 ( 0.000 -9.178 1.906) 9.374 2.996 ( 0.000 7.675 -5.589) 9.495 3.458 ( 0.000 -1.413 -5.898) 6.065 3.644 ( 0.000 3.899 -16.184) 16.647 3.652 ( 0.000 -5.767 -3.322) 6.655 3.697 ( 0.000 6.303 -6.337) 8.938 4.488 ( 0.000 -13.243 -6.408) 14.712 4.989 ( 0.000 6.523 3.664) 7.482 5.270 ( 0.000 6.592 16.888) 18.129 5.383 ( 0.000 12.324 6.356) 13.867 5.479 ( 0.000 11.203 2.676) 11.518 5.826 ( 0.000 -6.292 14.697) 15.987 5.973 ( 0.000 7.102 4.355) 8.331 6.846 ( 0.000 -14.277 4.875) 15.086 6.939 ( 0.000 6.978 -8.561) 11.044 7.208 ( 0.000 -16.230 3.720) 16.651 7.446 ( 0.000 -6.293 -11.943) 13.500 7.954 ( 0.000 6.478 -12.289) 13.892 8.194 ( 0.000 1.625 1.248) 2.049 8.236 ( 0.000 2.132 -4.821) 5.271 8.555 ( 0.000 7.814 -5.552) 9.586 8.632 ( 0.000 -4.830 -1.533) 5.068 9.002 ( 0.000 1.931 -12.432) 12.581 9.274 ( 0.000 -3.981 -7.393) 8.396 9.301 ( 0.000 -11.643 -1.857) 11.790 9.846 ( 0.000 0.508 -10.474) 10.486 9.887 ( 0.000 -1.081 -11.598) 11.648 10.326 ( 0.000 -1.523 10.181) 10.294 10.504 ( 0.000 -10.655 21.834) 24.295 11.074 ( 0.000 4.177 13.658) 14.282 11.198 ( 0.000 -3.526 14.901) 15.313 11.530 ( 0.000 10.210 8.090) 13.027 12.097 ( 0.000 -5.209 7.953) 9.508 12.141 ( 0.000 9.210 -4.025) 10.052 12.438 ( 0.000 18.532 -12.195) 22.185 12.789 ( 0.000 4.578 19.743) 20.266 12.795 ( 0.000 11.099 -1.894) 11.259 13.149 ( 0.000 9.479 6.653) 11.581 13.606 ( 0.000 3.851 -20.071) 20.437 14.065 ( 0.000 -9.790 -16.624) 19.292 14.662 ( 0.000 -9.388 -17.704) 20.039 15.000 ( 0.000 -5.295 -1.991) 5.657 15.162 ( 0.000 -11.006 -2.479) 11.282 15.956 ( 0.000 3.641 4.816) 6.038 16.051 ( 0.000 0.409 -11.809) 11.816 16.144 ( 0.000 -9.011 -13.967) 16.621 16.498 ( 0.000 -7.456 -1.089) 7.535 16.674 ( 0.000 -0.139 -9.893) 9.894 17.083 ( 0.000 -2.685 -7.030) 7.526 17.328 ( 0.000 -0.244 18.025) 18.027 17.340 ( 0.000 -5.649 13.026) 14.198 18.896 ( 0.000 3.024 13.400) 13.737 19.174 ( 0.000 -6.679 6.871) 9.583 19.436 ( 0.000 11.030 0.500) 11.041 19.703 ( 0.000 1.351 -0.410) 1.412 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 7.647 12.461 15.288) 21.153 1.793 ( 7.750 19.830 14.206) 25.595 2.477 ( 0.109 -9.359 3.012) 9.832 2.773 ( -0.130 3.832 3.007) 4.873 2.803 ( -1.292 -8.109 -1.642) 8.374 2.952 ( -1.785 0.198 -3.025) 3.518 3.034 ( 4.804 -2.249 2.264) 5.767 3.451 ( 0.488 3.869 -2.329) 4.543 3.548 ( -5.788 -2.699 -8.041) 10.269 3.689 ( 2.201 4.101 -7.230) 8.598 3.746 ( 2.162 3.591 -9.292) 10.194 4.414 ( -7.032 -11.610 -5.912) 14.805 4.946 ( -3.313 8.022 5.112) 10.073 5.245 ( -0.181 1.270 7.494) 7.603 5.304 ( -5.539 13.706 5.092) 15.636 5.554 ( 4.846 14.913 6.535) 16.988 5.935 ( 8.782 -0.618 14.484) 16.949 6.068 ( 9.750 1.685 7.473) 12.400 6.910 ( 4.333 -7.384 1.214) 8.647 6.980 ( 4.806 0.371 -5.323) 7.181 7.172 ( -3.677 -14.844 2.530) 15.501 7.454 ( 0.603 -5.332 -10.808) 12.067 7.848 ( -9.214 5.361 -10.742) 15.134 8.099 ( -10.069 4.582 1.703) 11.193 8.155 ( -4.596 -2.180 -8.316) 9.749 8.376 ( -14.577 0.826 -3.661) 15.052 8.625 ( -3.632 -5.450 1.471) 6.713 8.955 ( -2.174 5.438 -6.827) 8.995 9.152 ( -2.014 -1.783 -2.299) 3.538 9.552 ( 10.158 -1.432 -5.125) 11.467 9.924 ( 4.707 0.005 -11.068) 12.027 9.951 ( 8.221 -1.677 -11.797) 14.476 10.356 ( 2.754 -2.566 11.246) 11.860 10.634 ( 11.386 -13.432 15.475) 23.442 11.028 ( -4.764 0.069 13.059) 13.901 11.084 ( -8.706 -3.610 10.209) 13.894 11.514 ( -0.778 14.529 7.363) 16.307 12.212 ( 11.358 2.475 -0.889) 11.658 12.325 ( 8.872 5.913 4.982) 11.768 12.487 ( 6.276 14.725 -6.530) 17.287 12.626 ( -3.274 13.915 3.426) 14.700 12.916 ( 4.426 -7.037 3.426) 8.991 13.281 ( 12.367 14.642 11.587) 22.396 13.617 ( 1.196 1.761 -12.886) 13.061 14.072 ( 0.393 -8.280 -17.579) 19.436 14.565 ( -8.066 -11.645 -15.054) 20.671 14.963 ( -4.243 -4.452 -2.464) 6.625 15.166 ( -0.138 -5.346 -6.658) 8.540 15.893 ( -2.869 -0.915 1.279) 3.271 16.056 ( 1.648 -4.034 -6.186) 7.566 16.246 ( 4.635 -3.489 -14.806) 15.902 16.461 ( -2.478 -8.294 -0.187) 8.658 16.694 ( 1.882 -0.220 -7.655) 7.886 17.114 ( 2.051 -3.355 -5.630) 6.867 17.259 ( -3.886 0.686 19.542) 19.937 17.361 ( -0.579 -7.124 9.736) 12.078 18.909 ( 1.422 3.345 11.372) 11.939 19.186 ( 1.158 -5.584 4.078) 7.011 19.431 ( -0.463 10.914 0.058) 10.924 19.686 ( -1.739 1.625 -0.693) 2.479 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 14.894 4.170 12.112) 19.645 1.967 ( 8.656 12.698 12.739) 19.962 2.483 ( 0.426 -8.439 3.997) 9.348 2.648 ( -7.966 -6.170 -1.909) 10.255 2.818 ( -0.269 -5.042 -8.139) 9.578 2.902 ( -2.798 2.888 -5.362) 6.702 3.106 ( 0.652 -10.288 0.101) 10.309 3.410 ( -6.168 -3.850 -1.464) 7.417 3.567 ( 7.312 9.454 -2.573) 12.225 3.715 ( -1.831 -1.363 -7.140) 7.496 3.772 ( 3.130 8.369 -2.426) 9.259 4.226 ( -10.905 -8.130 -4.214) 14.240 4.923 ( 2.077 8.364 1.027) 8.679 5.193 ( -0.627 -0.575 1.049) 1.351 5.341 ( 6.473 17.049 5.183) 18.959 5.632 ( 3.197 19.260 1.934) 19.620 6.147 ( 12.360 3.600 13.325) 18.528 6.335 ( 15.118 -4.325 11.382) 19.412 6.973 ( -1.808 2.090 -3.958) 4.827 6.998 ( -4.866 -9.848 -2.188) 11.200 7.166 ( 6.589 -8.062 -1.323) 10.496 7.458 ( -0.771 -1.511 -7.060) 7.260 7.620 ( -13.237 3.941 -8.782) 16.367 7.897 ( -8.516 3.496 -0.940) 9.254 8.022 ( -7.683 -4.335 -1.999) 9.045 8.122 ( -8.710 -2.880 -3.674) 9.883 8.503 ( -7.951 -3.813 3.183) 9.375 8.760 ( -14.090 -8.975 -2.649) 16.914 9.277 ( 10.215 14.782 3.267) 18.263 9.683 ( 4.362 3.146 -3.357) 6.340 10.013 ( 4.098 0.681 -7.420) 8.504 10.121 ( 5.850 3.999 -8.035) 10.714 10.430 ( 4.262 -7.101 9.942) 12.940 10.821 ( -1.153 -7.863 9.001) 12.007 10.866 ( -6.777 -4.153 7.715) 11.077 10.994 ( 3.321 -13.491 4.012) 14.461 11.534 ( 2.991 19.853 6.891) 21.226 12.252 ( -8.010 17.747 10.625) 22.181 12.483 ( 7.549 8.347 -9.015) 14.420 12.566 ( 8.645 8.426 -0.885) 12.104 12.898 ( 18.380 -1.517 3.498) 18.772 13.060 ( 10.889 -7.545 -8.442) 15.709 13.584 ( 14.077 5.960 15.838) 22.012 13.673 ( 6.994 1.827 -3.200) 7.906 14.064 ( -1.718 -2.069 -14.497) 14.745 14.419 ( -3.822 -16.145 -14.640) 22.127 14.830 ( -7.982 0.022 -2.543) 8.377 15.155 ( -0.236 5.997 -9.981) 11.646 15.889 ( 1.984 -11.088 4.251) 12.040 16.106 ( 2.636 -3.033 -6.233) 7.415 16.213 ( -7.089 -7.594 -11.046) 15.164 16.457 ( 0.578 -5.056 -0.671) 5.133 16.736 ( 1.876 -0.706 -3.818) 4.313 17.109 ( -2.893 -1.110 6.333) 7.051 17.206 ( -1.396 -3.929 7.215) 8.333 17.314 ( -3.615 -8.326 9.219) 12.938 18.963 ( 4.126 4.224 6.205) 8.565 19.218 ( 1.933 -2.612 -1.018) 3.405 19.417 ( -0.946 10.465 -1.180) 10.574 19.632 ( -3.645 2.357 -1.422) 4.568 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 14.225 -1.125 5.721) 15.374 2.116 ( 6.351 2.526 9.911) 12.039 2.462 ( -6.748 -8.418 -0.443) 10.797 2.526 ( 0.617 -1.907 5.134) 5.511 2.793 ( -1.783 -6.985 -9.930) 12.271 2.864 ( -0.719 4.078 -6.774) 7.940 3.113 ( 1.095 -6.360 -1.426) 6.609 3.292 ( -5.318 -3.651 -1.991) 6.751 3.586 ( -3.753 4.985 -3.884) 7.350 3.663 ( -2.798 -3.946 -2.270) 5.344 3.841 ( -0.325 -0.856 1.567) 1.815 4.018 ( -8.376 -5.137 -1.081) 9.885 5.049 ( 10.880 11.962 -0.781) 16.189 5.307 ( 10.012 -0.553 -9.005) 13.478 5.487 ( 7.456 24.717 7.568) 26.904 5.729 ( 8.488 15.690 -6.641) 19.035 6.422 ( 13.911 0.515 12.639) 18.803 6.592 ( 3.978 -3.061 3.750) 6.265 6.702 ( -13.226 -6.258 -7.880) 16.619 6.995 ( -5.400 6.805 -10.379) 13.535 7.248 ( -0.442 1.469 -0.456) 1.600 7.322 ( -8.077 4.643 5.492) 10.814 7.500 ( 3.363 -5.355 -3.828) 7.392 7.779 ( -4.123 4.459 3.176) 6.854 7.910 ( -3.861 -4.675 1.513) 6.249 8.017 ( -0.892 -8.296 -3.920) 9.218 8.298 ( -12.660 -6.343 3.525) 14.593 8.479 ( -12.443 -9.842 0.792) 15.884 9.486 ( 10.154 14.372 5.861) 18.547 9.756 ( 2.852 5.868 -0.089) 6.525 10.077 ( 1.888 4.429 -4.248) 6.420 10.168 ( -0.236 3.555 -1.710) 3.952 10.484 ( -0.005 -5.762 5.860) 8.218 10.615 ( -10.529 -3.414 4.113) 11.808 10.870 ( 3.495 -8.872 2.526) 9.864 11.100 ( 2.990 -17.805 2.732) 18.259 11.625 ( 5.707 21.627 8.246) 23.839 12.079 ( -8.524 20.722 11.242) 25.069 12.588 ( 7.342 13.247 -3.909) 15.642 12.838 ( 13.825 -0.781 -4.770) 14.646 13.118 ( 3.867 -6.113 1.179) 7.329 13.295 ( 9.902 -9.083 -14.398) 19.694 13.644 ( -4.742 -7.558 9.986) 13.392 13.967 ( 1.849 4.061 -3.328) 5.567 14.024 ( 10.798 -3.961 -8.854) 14.515 14.522 ( 12.882 -4.076 -12.823) 18.628 14.714 ( -0.298 11.102 -1.143) 11.165 15.212 ( 7.827 6.869 -4.642) 11.401 15.910 ( -5.372 -2.227 2.589) 6.366 16.047 ( -4.196 -23.802 -4.175) 24.527 16.113 ( -3.727 -3.052 -6.278) 7.913 16.411 ( -5.501 -6.671 2.594) 9.028 16.764 ( 1.459 0.186 0.978) 1.766 17.046 ( -2.848 -2.195 6.681) 7.587 17.159 ( -3.065 -9.029 3.644) 10.208 17.245 ( -2.921 -6.279 8.694) 11.115 19.077 ( 7.045 5.110 0.736) 8.734 19.262 ( 2.404 1.220 -4.392) 5.153 19.392 ( -1.508 9.429 -2.895) 9.978 19.538 ( -5.664 3.328 -2.264) 6.949 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 3.838 -0.980 2.171) 4.517 2.281 ( -2.619 -2.298 -1.467) 3.780 2.382 ( 7.176 -8.931 6.090) 12.974 2.526 ( -3.739 -5.804 5.288) 8.696 2.795 ( 2.838 -0.792 -8.165) 8.681 2.852 ( -1.410 2.472 -6.774) 7.347 3.149 ( 2.044 -3.201 -1.239) 3.995 3.200 ( -3.552 -2.762 -2.031) 4.936 3.536 ( -0.338 2.788 -1.715) 3.290 3.580 ( -4.360 -2.480 -1.297) 5.180 3.802 ( 0.140 -8.055 2.724) 8.505 3.878 ( -6.222 -7.015 2.230) 9.638 5.293 ( 10.285 17.438 -1.734) 20.319 5.413 ( -1.354 18.186 -1.272) 18.280 5.738 ( 19.020 4.552 -10.501) 22.198 6.008 ( 14.387 5.362 -10.735) 18.734 6.235 ( -17.363 2.343 -11.482) 20.947 6.501 ( -20.422 6.269 -11.924) 24.465 6.720 ( 12.167 1.507 7.822) 14.543 6.883 ( -3.194 -0.878 2.321) 4.045 7.249 ( 0.061 6.655 8.709) 10.961 7.263 ( 0.337 5.122 2.639) 5.771 7.610 ( 5.604 1.090 0.500) 5.730 7.704 ( -3.844 7.125 4.832) 9.428 7.863 ( 1.723 -7.007 7.673) 10.533 8.021 ( -11.620 -13.629 5.583) 18.760 8.099 ( 6.037 -9.934 -4.611) 12.506 8.265 ( -9.371 -10.884 -0.107) 14.363 9.674 ( 8.018 13.050 6.797) 16.757 9.778 ( -1.625 9.940 4.751) 11.137 10.093 ( 0.874 4.879 -2.129) 5.395 10.138 ( -2.691 -1.429 0.319) 3.063 10.448 ( -1.502 -1.578 0.765) 2.309 10.473 ( -3.580 -2.273 0.291) 4.250 10.980 ( 6.246 -13.384 2.697) 15.014 11.087 ( -3.681 -16.090 2.943) 16.766 11.757 ( 7.286 22.723 10.015) 25.879 11.913 ( -8.027 22.486 11.043) 26.306 12.790 ( 11.571 11.407 -3.774) 16.681 12.983 ( -4.462 11.094 -7.850) 14.304 13.191 ( 9.253 -20.772 3.678) 23.035 13.388 ( -6.090 -16.423 -2.671) 17.718 13.571 ( 5.821 -8.399 -5.336) 11.528 13.783 ( -11.951 -9.420 -7.222) 16.844 14.347 ( 13.258 13.545 -12.666) 22.796 14.544 ( -6.469 16.662 -13.441) 22.363 15.070 ( 26.648 4.425 4.193) 27.336 15.496 ( 14.717 -0.507 -2.998) 15.028 15.598 ( -17.358 3.239 1.585) 17.729 15.904 ( -16.361 -2.628 -5.716) 17.529 16.114 ( 6.007 -25.316 5.168) 26.527 16.259 ( -8.199 -16.458 5.554) 19.208 16.832 ( 5.432 0.102 4.056) 6.780 16.958 ( -6.136 -1.724 3.978) 7.513 17.142 ( 1.523 -8.416 5.210) 10.014 17.189 ( -2.704 -7.050 5.270) 9.208 19.233 ( 7.938 5.511 -2.769) 10.052 19.311 ( 2.180 4.936 -5.305) 7.567 19.356 ( -2.132 7.319 -4.352) 8.778 19.408 ( -6.847 4.201 -2.574) 8.436 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 17.803 7.107) 19.169 2.041 ( 0.000 0.164 3.518) 3.522 2.341 ( 0.000 6.997 8.730) 11.188 2.644 ( 0.000 -14.241 -0.739) 14.260 2.775 ( 0.000 -0.952 -5.541) 5.622 2.824 ( 0.000 -6.079 7.760) 9.858 3.206 ( 0.000 12.586 -2.411) 12.815 3.441 ( 0.000 -10.579 -0.787) 10.608 3.554 ( 0.000 6.666 -8.861) 11.088 3.661 ( 0.000 -2.473 -13.739) 13.960 3.928 ( 0.000 14.274 -6.684) 15.762 4.213 ( 0.000 -15.099 -6.452) 16.420 5.135 ( 0.000 9.008 11.319) 14.466 5.285 ( 0.000 -4.831 17.887) 18.528 5.529 ( 0.000 7.372 13.452) 15.340 5.682 ( 0.000 -8.306 14.446) 16.664 5.837 ( 0.000 19.340 -1.695) 19.414 6.083 ( 0.000 -1.851 0.779) 2.008 6.645 ( 0.000 -0.352 4.045) 4.061 6.866 ( 0.000 -18.053 4.242) 18.544 7.104 ( 0.000 9.554 -10.605) 14.274 7.289 ( 0.000 -9.445 -12.117) 15.364 8.075 ( 0.000 5.562 -12.508) 13.689 8.160 ( 0.000 -3.350 -13.125) 13.545 8.331 ( 0.000 6.199 6.367) 8.887 8.474 ( 0.000 -8.751 3.086) 9.279 8.764 ( 0.000 13.500 -2.367) 13.706 9.041 ( 0.000 -14.571 -1.383) 14.636 9.104 ( 0.000 5.663 -11.740) 13.035 9.198 ( 0.000 -4.145 -9.342) 10.220 9.851 ( 0.000 0.367 -12.010) 12.015 9.866 ( 0.000 -1.105 -12.375) 12.425 10.316 ( 0.000 0.818 15.388) 15.410 10.365 ( 0.000 -4.514 19.847) 20.354 11.118 ( 0.000 1.316 15.150) 15.207 11.146 ( 0.000 -1.935 15.492) 15.612 11.759 ( 0.000 12.250 7.333) 14.277 11.962 ( 0.000 -8.798 7.656) 11.663 12.346 ( 0.000 12.100 -5.845) 13.438 12.568 ( 0.000 -7.849 -9.225) 12.112 12.819 ( 0.000 3.206 3.411) 4.681 12.853 ( 0.000 1.180 11.935) 11.993 13.656 ( 0.000 33.324 1.771) 33.371 13.706 ( 0.000 6.708 -20.977) 22.024 13.874 ( 0.000 -8.652 -16.385) 18.529 14.303 ( 0.000 -28.925 -3.746) 29.167 14.935 ( 0.000 -1.452 -1.593) 2.156 14.965 ( 0.000 -5.735 -1.652) 5.968 15.991 ( 0.000 2.894 -4.995) 5.773 16.055 ( 0.000 -3.051 -14.662) 14.977 16.178 ( 0.000 8.631 -10.150) 13.323 16.343 ( 0.000 -8.504 -4.586) 9.661 16.730 ( 0.000 6.755 -10.819) 12.755 16.918 ( 0.000 -11.555 -12.251) 16.841 17.305 ( 0.000 0.355 19.539) 19.542 17.318 ( 0.000 -0.721 19.015) 19.029 18.967 ( 0.000 4.347 11.543) 12.334 19.060 ( 0.000 -5.347 9.469) 10.875 19.612 ( 0.000 7.045 -0.036) 7.046 19.699 ( 0.000 -2.139 -0.342) 2.166 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 2.488 16.227 7.379) 17.999 2.059 ( 1.475 -2.648 3.510) 4.638 2.354 ( 1.504 7.255 10.013) 12.456 2.619 ( -2.257 -12.392 1.683) 12.708 2.765 ( -0.920 -0.042 -7.036) 7.096 2.848 ( 1.569 -8.888 3.315) 9.615 3.144 ( -4.969 11.789 -3.070) 13.156 3.376 ( -5.598 -11.399 -0.848) 12.728 3.613 ( 5.195 7.981 -9.285) 13.300 3.706 ( 2.989 -1.535 -13.197) 13.618 3.932 ( 0.258 12.262 -5.687) 13.519 4.177 ( -3.522 -12.927 -5.711) 14.565 5.106 ( -3.774 8.060 9.704) 13.167 5.216 ( -4.523 -3.193 9.591) 11.074 5.560 ( 1.857 10.863 12.792) 16.884 5.710 ( 9.563 -2.757 15.914) 18.770 6.000 ( 10.303 9.770 4.709) 14.959 6.126 ( 3.861 0.874 0.528) 3.993 6.710 ( 5.832 -3.896 3.597) 7.882 6.858 ( -0.933 -15.389 3.566) 15.824 7.131 ( 2.664 9.188 -10.381) 14.117 7.309 ( 1.921 -8.952 -11.455) 14.664 7.961 ( -9.593 5.740 -9.700) 14.801 8.062 ( -8.791 -4.778 -11.018) 14.884 8.217 ( -8.857 5.311 2.940) 10.738 8.322 ( -13.072 -5.409 -0.519) 14.156 8.660 ( -6.967 8.015 -1.678) 10.751 8.850 ( -11.604 -10.371 -3.052) 15.859 9.297 ( 13.581 10.886 -4.399) 17.952 9.476 ( 15.230 -6.986 -5.431) 17.614 9.913 ( 4.482 -0.120 -10.439) 11.361 9.928 ( 8.190 -1.134 -12.008) 14.579 10.346 ( 2.368 1.965 14.627) 14.947 10.436 ( 6.658 -7.449 15.610) 18.534 11.021 ( -8.402 -0.152 12.658) 15.193 11.034 ( -9.159 -1.614 11.941) 15.135 11.826 ( 5.382 16.559 6.763) 18.679 12.102 ( 11.341 -11.422 6.502) 17.360 12.477 ( 10.761 9.900 -3.932) 15.142 12.658 ( 9.003 -5.441 -8.469) 13.505 12.784 ( -2.877 4.552 2.094) 5.778 12.823 ( -0.878 1.772 9.294) 9.502 13.690 ( 0.212 10.995 -12.094) 16.346 13.725 ( 4.568 24.042 1.139) 24.499 13.876 ( 0.743 -10.655 -16.251) 19.447 14.248 ( -5.545 -23.274 -4.540) 24.352 14.910 ( -2.139 -0.384 -1.659) 2.734 14.984 ( 2.701 -8.766 0.012) 9.173 15.941 ( -6.844 5.334 -11.052) 14.051 16.017 ( -0.309 -1.671 -13.339) 13.447 16.250 ( 2.594 1.337 -9.455) 9.895 16.314 ( 0.085 -6.157 0.234) 6.162 16.757 ( 2.227 7.404 -9.123) 11.959 16.952 ( 2.598 -11.403 -10.392) 15.645 17.270 ( -3.744 0.564 18.683) 19.063 17.287 ( -2.789 -1.536 17.263) 17.554 18.987 ( 2.078 4.694 9.472) 10.773 19.083 ( 2.276 -5.237 7.162) 9.160 19.605 ( -0.781 6.846 -0.394) 6.901 19.687 ( -1.229 -1.879 -0.641) 2.335 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 6.623 10.024 6.948) 13.879 2.089 ( 1.551 -5.615 3.101) 6.599 2.400 ( 2.338 5.988 10.798) 12.567 2.551 ( -4.599 -6.047 4.028) 8.599 2.743 ( -0.817 0.469 -9.535) 9.582 2.874 ( 1.494 -11.851 -0.563) 11.958 3.048 ( -3.976 10.159 -3.057) 11.329 3.256 ( -5.659 -10.669 -0.942) 12.114 3.691 ( 0.483 3.864 -9.827) 10.571 3.724 ( -1.888 0.478 -10.384) 10.565 3.935 ( -0.305 8.031 -3.256) 8.671 4.079 ( -6.048 -7.358 -3.799) 10.254 5.060 ( 1.735 5.862 1.968) 6.423 5.148 ( -0.020 -3.407 1.007) 3.553 5.717 ( 12.467 20.120 11.960) 26.520 5.950 ( 11.049 6.359 14.028) 18.955 6.167 ( 6.635 -1.939 6.458) 9.460 6.250 ( 8.397 -2.173 2.396) 8.999 6.802 ( -1.892 -5.420 0.307) 5.749 6.864 ( 5.869 -9.782 1.863) 11.558 7.207 ( 4.720 8.133 -8.694) 12.807 7.360 ( 2.900 -7.181 -8.410) 11.432 7.744 ( -11.951 7.321 -8.290) 16.284 7.877 ( -8.410 -5.942 -8.418) 13.300 8.001 ( -11.784 2.295 2.356) 12.234 8.056 ( -11.498 -3.450 -2.873) 12.343 8.493 ( -10.009 2.788 2.220) 10.625 8.596 ( -13.351 -7.485 1.322) 15.363 9.539 ( 9.964 11.803 0.537) 15.456 9.698 ( 7.703 -3.747 -2.758) 8.999 10.026 ( 5.971 4.482 -3.881) 8.415 10.159 ( 12.631 -5.612 -7.523) 15.736 10.380 ( 0.252 6.427 10.948) 12.698 10.591 ( 6.719 -13.453 8.000) 17.033 10.825 ( -9.458 -0.274 7.367) 11.992 10.853 ( -7.691 -3.320 6.080) 10.351 11.946 ( 6.371 22.047 5.518) 23.603 12.334 ( 10.968 -17.141 3.664) 20.677 12.564 ( -2.724 13.806 4.913) 14.905 12.727 ( -1.455 0.981 1.775) 2.496 12.917 ( 13.756 0.588 -7.379) 15.621 12.968 ( 13.288 -0.874 -5.521) 14.416 13.715 ( 1.492 10.549 -1.120) 10.712 13.812 ( 4.583 9.190 -1.359) 10.359 13.968 ( 9.631 -7.679 -11.321) 16.731 14.092 ( -7.882 -16.116 -4.777) 18.565 14.889 ( 1.443 7.121 0.700) 7.300 15.095 ( 8.290 -11.776 1.631) 14.493 15.778 ( -8.738 4.307 -11.269) 14.896 15.949 ( -7.197 -10.833 -15.270) 20.058 16.253 ( 0.307 6.801 -1.809) 7.044 16.381 ( 2.607 -5.386 -2.530) 6.497 16.792 ( 0.795 7.462 -3.141) 8.135 16.989 ( 0.313 -11.434 -4.830) 12.416 17.158 ( -6.613 1.645 15.006) 16.481 17.214 ( -4.202 -3.677 13.219) 14.350 19.056 ( 4.823 5.221 4.548) 8.438 19.150 ( 4.325 -4.393 2.224) 6.554 19.580 ( -1.746 6.171 -1.371) 6.558 19.648 ( -2.709 -1.099 -1.437) 3.258 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 8.975 1.709 5.058) 10.443 2.128 ( 2.513 -3.297 2.121) 4.656 2.390 ( -4.342 1.711 4.126) 6.229 2.464 ( -3.254 -4.483 5.893) 8.088 2.760 ( 3.081 4.606 -6.327) 8.411 2.929 ( 3.783 -10.920 -1.434) 11.645 2.989 ( -2.050 8.017 -2.096) 8.536 3.159 ( -3.995 -8.930 -1.093) 9.844 3.634 ( -4.345 0.669 -5.365) 6.936 3.649 ( -4.289 0.498 -6.173) 7.533 3.865 ( -7.299 3.333 -0.815) 8.065 3.940 ( -7.625 -3.839 -1.832) 8.732 5.212 ( 13.087 5.500 -5.863) 15.359 5.281 ( 12.735 -2.156 -9.023) 15.756 5.955 ( 5.425 22.383 8.635) 24.597 6.074 ( 4.899 19.096 -3.525) 20.027 6.292 ( 2.234 -12.296 8.804) 15.287 6.434 ( 10.475 -15.514 3.496) 19.043 6.752 ( -0.258 10.541 -2.385) 10.811 6.970 ( 1.464 -9.915 -3.113) 10.495 7.303 ( 4.077 6.160 -4.751) 8.783 7.402 ( 0.702 -3.519 -3.011) 4.685 7.489 ( -10.066 10.945 1.375) 14.934 7.753 ( -3.396 -13.398 -4.858) 14.650 7.835 ( -3.832 1.064 0.346) 3.992 7.871 ( -6.692 -3.985 -1.175) 7.877 8.248 ( -13.982 1.814 4.782) 14.888 8.331 ( -12.586 -6.016 5.739) 15.084 9.716 ( 8.217 9.271 3.106) 12.772 9.831 ( 6.117 -1.239 0.054) 6.241 10.115 ( 1.831 6.656 3.965) 7.961 10.290 ( -4.339 -5.735 11.399) 13.478 10.412 ( 6.838 8.576 -6.529) 12.764 10.576 ( -5.870 -2.593 1.247) 6.537 10.730 ( -2.284 -4.823 2.383) 5.844 10.782 ( 1.165 -12.984 1.762) 13.154 12.085 ( 7.407 25.281 6.404) 27.111 12.483 ( -4.472 19.769 7.584) 21.641 12.549 ( 10.554 -21.727 4.038) 24.490 12.746 ( 3.350 -2.844 1.612) 4.680 13.085 ( 2.854 0.556 -8.135) 8.639 13.189 ( 8.034 -4.667 -11.199) 14.552 13.604 ( -11.114 6.603 1.363) 13.000 13.815 ( -11.231 -11.787 -9.313) 18.756 14.160 ( 22.950 9.915 -5.133) 25.521 14.363 ( 24.750 -10.766 -6.744) 27.820 14.987 ( 7.049 17.443 3.552) 19.146 15.301 ( 11.550 -6.647 2.680) 13.593 15.608 ( -7.466 -6.296 -7.045) 12.042 15.761 ( -10.035 -13.277 -12.322) 20.707 16.200 ( -7.826 8.282 0.828) 11.425 16.337 ( -8.251 -4.804 0.361) 9.555 16.804 ( 1.359 5.074 3.042) 6.071 16.960 ( -1.576 -10.333 4.587) 11.415 17.049 ( -4.063 2.587 6.122) 7.790 17.132 ( -3.832 -5.523 6.687) 9.481 19.178 ( 7.004 4.964 -0.207) 8.587 19.251 ( 5.455 -2.387 -1.922) 6.257 19.533 ( -2.980 4.880 -2.670) 6.311 19.576 ( -4.479 0.169 -2.430) 5.098 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.873 0.821 1.638) 4.284 2.241 ( 8.112 -4.665 2.598) 9.712 2.283 ( -5.212 2.309 1.393) 5.868 2.380 ( -5.520 -7.351 3.202) 9.735 2.852 ( 5.224 6.246 -3.036) 8.691 2.942 ( -3.166 6.532 -3.622) 8.112 3.012 ( 4.006 -9.375 0.491) 10.207 3.087 ( -3.396 -7.917 -0.784) 8.651 3.579 ( 0.223 2.544 -1.666) 3.049 3.613 ( 0.482 2.358 -1.872) 3.049 3.705 ( -5.519 -1.118 0.041) 5.632 3.772 ( -8.177 -5.030 -0.578) 9.617 5.536 ( 16.626 7.807 -9.571) 20.712 5.596 ( 16.223 1.759 -12.099) 20.314 5.871 ( -8.844 7.974 -7.987) 14.338 6.000 ( -14.722 -5.108 -9.716) 18.364 6.436 ( 13.546 15.690 -0.632) 20.738 6.607 ( 3.144 1.426 1.356) 3.709 6.779 ( 0.274 3.327 2.673) 4.277 6.842 ( -9.563 -3.850 -2.977) 10.730 7.355 ( 2.008 5.261 3.125) 6.440 7.391 ( -0.839 9.140 3.800) 9.934 7.497 ( 7.919 -8.959 2.962) 12.319 7.668 ( -6.886 -17.573 1.758) 18.955 7.809 ( 1.454 3.237 1.478) 3.844 7.858 ( 3.379 1.104 3.375) 4.901 7.987 ( -8.210 -0.407 3.532) 8.946 8.090 ( -11.055 -7.854 4.879) 14.412 9.881 ( 7.904 8.087 5.941) 12.773 9.948 ( 4.332 4.818 4.863) 8.101 10.082 ( -3.420 -0.694 5.484) 6.500 10.147 ( -7.648 -2.383 6.317) 10.202 10.500 ( 1.405 8.117 -3.053) 8.785 10.520 ( -0.190 7.400 -2.474) 7.805 10.725 ( 2.051 -12.351 -0.199) 12.522 10.778 ( -2.058 -15.397 0.353) 15.538 12.239 ( 7.644 26.748 8.407) 29.061 12.380 ( -6.034 25.256 8.944) 27.464 12.745 ( 7.806 -25.300 6.233) 27.200 12.817 ( 1.326 -16.752 3.843) 17.239 13.131 ( 4.868 9.614 -8.696) 13.847 13.306 ( -4.542 6.464 -10.592) 13.214 13.380 ( 0.003 -7.695 -4.759) 9.048 13.569 ( -12.047 -12.642 -9.559) 19.908 14.643 ( 21.332 16.528 -10.489) 28.952 14.842 ( 13.198 6.698 -11.676) 18.851 15.071 ( 4.898 2.808 -4.339) 7.120 15.394 ( -16.328 -19.753 -10.912) 27.854 15.561 ( 15.446 4.988 5.838) 17.249 15.739 ( 11.107 -13.177 5.671) 18.142 15.922 ( -18.118 6.273 7.200) 20.481 16.059 ( -17.403 -7.226 6.689) 19.995 16.866 ( 4.488 3.820 3.764) 6.993 16.963 ( -4.564 2.434 3.027) 5.993 16.981 ( 2.949 -7.531 4.228) 9.126 17.055 ( -3.885 -6.438 3.436) 8.267 19.326 ( 7.368 3.749 -2.801) 8.729 19.362 ( 5.335 0.275 -3.744) 6.523 19.458 ( -4.638 3.003 -3.765) 6.686 19.469 ( -5.914 1.661 -3.073) 6.869 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 0.000 24.608) 24.608 1.650 ( 0.000 0.000 23.336) 23.336 2.621 ( 0.000 0.000 -11.042) 11.042 2.713 ( 0.000 0.000 7.621) 7.621 2.843 ( 0.000 0.000 12.007) 12.007 2.990 ( 0.000 0.000 -19.829) 19.829 3.223 ( 0.000 0.000 -10.705) 10.705 3.231 ( 0.000 0.000 -8.625) 8.625 3.297 ( 0.000 0.000 5.386) 5.386 3.554 ( 0.000 0.000 9.213) 9.213 3.786 ( 0.000 0.000 2.854) 2.854 4.645 ( 0.000 0.000 0.546) 0.546 4.717 ( 0.000 0.000 -6.827) 6.827 4.983 ( 0.000 0.000 -1.578) 1.578 5.404 ( 0.000 0.000 18.623) 18.623 5.593 ( 0.000 0.000 6.706) 6.706 6.174 ( 0.000 0.000 17.457) 17.457 6.262 ( 0.000 0.000 17.398) 17.398 6.647 ( 0.000 0.000 -7.620) 7.620 7.239 ( 0.000 0.000 1.122) 1.122 7.347 ( 0.000 0.000 -3.875) 3.875 7.454 ( 0.000 0.000 -10.340) 10.340 7.590 ( 0.000 0.000 -12.793) 12.793 7.822 ( 0.000 0.000 -27.718) 27.718 8.161 ( 0.000 0.000 -3.216) 3.216 8.232 ( 0.000 0.000 -9.826) 9.826 8.502 ( 0.000 0.000 11.929) 11.929 9.182 ( 0.000 0.000 -4.761) 4.761 9.269 ( 0.000 0.000 -5.605) 5.605 9.386 ( 0.000 0.000 -6.403) 6.403 9.687 ( 0.000 0.000 -4.946) 4.946 9.704 ( 0.000 0.000 -9.317) 9.317 10.526 ( 0.000 0.000 9.289) 9.289 11.144 ( 0.000 0.000 15.653) 15.653 11.235 ( 0.000 0.000 -3.203) 3.203 11.502 ( 0.000 0.000 1.523) 1.523 11.578 ( 0.000 0.000 8.932) 8.932 11.592 ( 0.000 0.000 13.613) 13.613 11.930 ( 0.000 0.000 0.421) 0.421 12.298 ( 0.000 0.000 9.870) 9.870 12.368 ( 0.000 0.000 3.373) 3.373 13.181 ( 0.000 0.000 -17.710) 17.710 13.225 ( 0.000 0.000 30.703) 30.703 13.354 ( 0.000 0.000 8.291) 8.291 13.889 ( 0.000 0.000 -17.997) 17.997 14.389 ( 0.000 0.000 -19.868) 19.868 14.808 ( 0.000 0.000 -23.841) 23.841 15.116 ( 0.000 0.000 0.401) 0.401 15.557 ( 0.000 0.000 -15.668) 15.668 16.370 ( 0.000 0.000 -18.440) 18.440 16.606 ( 0.000 0.000 -0.682) 0.682 16.689 ( 0.000 0.000 10.433) 10.433 16.755 ( 0.000 0.000 6.673) 6.673 16.773 ( 0.000 0.000 -3.477) 3.477 17.577 ( 0.000 0.000 10.650) 10.650 17.619 ( 0.000 0.000 3.677) 3.677 19.123 ( 0.000 0.000 1.077) 1.077 19.145 ( 0.000 0.000 13.364) 13.364 19.342 ( 0.000 0.000 -3.101) 3.101 19.629 ( 0.000 0.000 -1.228) 1.228 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 9.472 0.000 20.442) 22.530 1.766 ( 10.707 0.000 20.228) 22.887 2.606 ( -0.381 0.000 -8.520) 8.528 2.710 ( -0.866 0.000 6.274) 6.333 2.967 ( -1.781 0.000 -17.011) 17.104 2.971 ( 8.661 0.000 -0.275) 8.666 3.164 ( -1.487 0.000 2.904) 3.263 3.189 ( -4.074 0.000 -8.687) 9.595 3.391 ( 6.361 0.000 -5.670) 8.522 3.515 ( -3.145 0.000 11.759) 12.172 3.787 ( 1.122 0.000 5.754) 5.862 4.641 ( -7.167 0.000 -6.049) 9.378 4.642 ( -0.419 0.000 0.580) 0.715 4.955 ( -2.556 0.000 -0.101) 2.558 5.322 ( -5.294 0.000 14.918) 15.830 5.504 ( -7.424 0.000 7.783) 10.756 6.326 ( 5.558 0.000 16.027) 16.964 6.336 ( 13.532 0.000 16.241) 21.140 6.653 ( 0.169 0.000 -8.378) 8.379 7.261 ( -0.244 0.000 -3.575) 3.583 7.305 ( -4.057 0.000 -3.451) 5.326 7.392 ( -5.351 0.000 -10.292) 11.600 7.604 ( 3.392 0.000 -14.469) 14.861 7.876 ( 4.078 0.000 -18.580) 19.022 7.899 ( -15.740 0.000 -2.315) 15.909 8.255 ( -5.225 0.000 -6.996) 8.732 8.650 ( 13.022 0.000 10.349) 16.634 9.008 ( -11.120 0.000 1.318) 11.198 9.209 ( -8.970 0.000 -5.569) 10.558 9.448 ( 5.228 0.000 -6.060) 8.004 9.681 ( -1.779 0.000 -8.591) 8.773 9.794 ( 8.771 0.000 -8.636) 12.309 10.588 ( 6.252 0.000 8.817) 10.808 11.168 ( 2.390 0.000 15.585) 15.767 11.334 ( -13.363 0.000 11.823) 17.842 11.379 ( 9.517 0.000 -9.155) 13.206 11.563 ( -7.565 0.000 11.231) 13.542 11.599 ( 9.148 0.000 2.695) 9.537 11.978 ( 4.477 0.000 -2.114) 4.951 12.237 ( -4.733 0.000 11.675) 12.598 12.609 ( 20.416 0.000 2.785) 20.605 13.213 ( 2.400 0.000 -4.213) 4.849 13.411 ( 17.219 0.000 27.936) 32.817 13.436 ( 8.039 0.000 -2.343) 8.374 13.833 ( -5.264 0.000 -17.846) 18.606 14.389 ( -0.047 0.000 -21.224) 21.224 14.667 ( -12.236 0.000 -21.700) 24.912 15.087 ( -2.669 0.000 3.169) 4.143 15.654 ( 7.488 0.000 -15.915) 17.589 16.369 ( -0.830 0.000 -9.566) 9.602 16.571 ( -4.086 0.000 4.068) 5.766 16.627 ( 2.037 0.000 -0.454) 2.087 16.784 ( 1.207 0.000 -2.901) 3.142 16.921 ( 9.066 0.000 2.429) 9.386 17.536 ( -3.332 0.000 12.085) 12.536 17.623 ( 0.007 0.000 3.356) 3.356 19.103 ( -1.873 0.000 0.191) 1.882 19.126 ( -1.741 0.000 12.284) 12.407 19.284 ( -5.311 0.000 -3.272) 6.238 19.600 ( -2.877 0.000 -1.539) 3.263 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 11.644 0.000 12.517) 17.096 2.026 ( 13.310 0.000 12.708) 18.403 2.622 ( 1.800 0.000 -9.144) 9.319 2.646 ( -5.616 0.000 0.077) 5.617 2.936 ( -2.032 0.000 -7.896) 8.153 2.968 ( -5.170 0.000 -3.416) 6.197 3.089 ( -4.180 0.000 -6.215) 7.490 3.245 ( 0.068 0.000 -5.063) 5.063 3.451 ( 3.289 0.000 8.673) 9.275 3.560 ( 5.293 0.000 -6.724) 8.558 3.905 ( 13.359 0.000 16.373) 21.131 4.463 ( -9.062 0.000 -3.016) 9.551 4.630 ( -0.490 0.000 0.229) 0.541 4.894 ( -3.247 0.000 1.082) 3.423 5.273 ( 1.174 0.000 8.000) 8.085 5.348 ( -7.108 0.000 6.352) 9.533 6.462 ( 7.694 0.000 14.554) 16.463 6.573 ( -0.403 0.000 -10.785) 10.793 6.682 ( 10.560 0.000 11.404) 15.542 7.065 ( -16.618 0.000 -15.585) 22.783 7.202 ( -4.916 0.000 -0.549) 4.946 7.385 ( 1.750 0.000 -8.273) 8.456 7.591 ( -14.125 0.000 1.028) 14.163 7.714 ( 6.411 0.000 -5.356) 8.354 7.962 ( 4.592 0.000 -10.504) 11.464 8.100 ( -8.992 0.000 -3.943) 9.819 8.802 ( -9.229 0.000 4.457) 10.249 8.933 ( 14.174 0.000 8.702) 16.632 8.970 ( -13.056 0.000 -3.307) 13.469 9.553 ( 4.383 0.000 -4.315) 6.151 9.670 ( 1.543 0.000 -6.200) 6.389 9.966 ( 7.494 0.000 -9.852) 12.378 10.727 ( 4.931 0.000 6.523) 8.177 11.078 ( -11.299 0.000 5.731) 12.669 11.239 ( 4.564 0.000 15.470) 16.129 11.303 ( -9.489 0.000 6.425) 11.460 11.629 ( 7.698 0.000 -0.797) 7.739 11.842 ( 14.312 0.000 4.244) 14.928 12.005 ( -5.171 0.000 5.716) 7.708 12.244 ( 8.812 0.000 0.697) 8.839 13.027 ( 16.915 0.000 -3.346) 17.243 13.318 ( 10.561 0.000 5.103) 11.730 13.629 ( 9.665 0.000 -7.273) 12.096 13.680 ( -7.778 0.000 -12.390) 14.629 13.875 ( 25.797 0.000 17.417) 31.126 14.371 ( -2.687 0.000 -24.187) 24.335 14.374 ( -15.803 0.000 -17.793) 23.797 15.044 ( 0.300 0.000 10.975) 10.979 15.777 ( 3.262 0.000 -13.786) 14.167 16.320 ( -3.924 0.000 8.473) 9.337 16.557 ( 1.891 0.000 -11.348) 11.505 16.682 ( 3.282 0.000 0.612) 3.339 16.823 ( 2.519 0.000 -1.582) 2.974 17.068 ( 4.958 0.000 -3.441) 6.035 17.469 ( -2.724 0.000 13.365) 13.640 17.614 ( -0.930 0.000 4.408) 4.505 19.053 ( -2.919 0.000 -2.096) 3.594 19.086 ( -1.902 0.000 9.038) 9.236 19.153 ( -7.005 0.000 -4.488) 8.319 19.515 ( -5.440 0.000 -2.331) 5.919 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 11.626 0.000 4.708) 12.543 2.224 ( 4.887 0.000 1.780) 5.201 2.506 ( -7.875 0.000 -4.114) 8.885 2.653 ( 0.021 0.000 -10.420) 10.420 2.879 ( -2.213 0.000 -1.040) 2.445 2.886 ( 0.091 0.000 0.520) 0.528 3.070 ( 0.770 0.000 -0.566) 0.956 3.153 ( -6.206 0.000 -1.153) 6.312 3.480 ( -1.146 0.000 -1.301) 1.734 3.606 ( -1.798 0.000 -6.589) 6.830 4.297 ( 19.948 0.000 16.022) 25.586 4.356 ( 0.624 0.000 4.225) 4.271 4.634 ( 1.044 0.000 -0.347) 1.100 4.824 ( -3.825 0.000 0.847) 3.918 5.259 ( 0.291 0.000 -0.671) 0.731 5.381 ( 9.591 0.000 0.715) 9.618 6.378 ( -15.355 0.000 -19.318) 24.678 6.528 ( -13.575 0.000 -3.522) 14.024 6.770 ( 0.366 0.000 -1.106) 1.165 6.932 ( 9.212 0.000 12.353) 15.410 7.181 ( 4.230 0.000 4.601) 6.250 7.349 ( -9.185 0.000 3.146) 9.708 7.373 ( -3.766 0.000 -5.850) 6.958 7.843 ( 6.540 0.000 -0.068) 6.540 7.904 ( -10.496 0.000 -2.078) 10.700 8.061 ( 4.570 0.000 -8.948) 10.047 8.627 ( -8.183 0.000 5.342) 9.772 8.732 ( -9.644 0.000 -1.262) 9.727 9.204 ( 12.346 0.000 7.615) 14.506 9.603 ( 0.288 0.000 -1.153) 1.188 9.758 ( 7.126 0.000 -3.339) 7.869 10.084 ( 3.947 0.000 -7.886) 8.819 10.709 ( -5.317 0.000 4.248) 6.806 10.834 ( -12.841 0.000 1.578) 12.938 11.281 ( 6.513 0.000 10.374) 12.249 11.349 ( 6.279 0.000 14.621) 15.913 11.699 ( -0.819 0.000 2.844) 2.959 11.849 ( -8.942 0.000 11.190) 14.324 12.154 ( 16.035 0.000 3.363) 16.384 12.484 ( 12.071 0.000 -6.041) 13.498 13.273 ( 10.853 0.000 -8.003) 13.485 13.511 ( -7.245 0.000 -13.810) 15.595 13.600 ( 12.682 0.000 1.451) 12.765 13.792 ( 6.250 0.000 -7.099) 9.458 14.024 ( -16.633 0.000 -18.104) 24.585 14.243 ( -9.798 0.000 -20.448) 22.674 14.468 ( 29.394 0.000 16.203) 33.564 15.177 ( 13.407 0.000 14.259) 19.572 15.746 ( -6.885 0.000 -8.284) 10.771 16.190 ( -9.705 0.000 9.847) 13.826 16.639 ( 6.410 0.000 -10.499) 12.302 16.757 ( 4.072 0.000 2.094) 4.579 16.872 ( 1.835 0.000 0.285) 1.857 17.101 ( -2.012 0.000 -6.217) 6.534 17.445 ( 0.549 0.000 12.154) 12.166 17.586 ( -1.910 0.000 7.018) 7.273 18.993 ( -2.783 0.000 -4.962) 5.689 19.025 ( -5.227 0.000 -6.615) 8.431 19.068 ( 0.561 0.000 4.121) 4.159 19.386 ( -7.138 0.000 -3.117) 7.789 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 1.641 0.000 -4.764) 5.039 2.348 ( -6.770 0.000 -5.820) 8.928 2.391 ( 10.698 0.000 -2.057) 10.893 2.577 ( -7.215 0.000 -7.248) 10.227 2.912 ( 4.607 0.000 -1.984) 5.016 2.969 ( 6.013 0.000 4.490) 7.505 3.026 ( -6.212 0.000 -1.554) 6.403 3.061 ( -2.408 0.000 2.714) 3.628 3.460 ( 0.399 0.000 -2.480) 2.512 3.517 ( -4.946 0.000 -4.676) 6.807 4.438 ( 6.756 0.000 9.828) 11.926 4.531 ( 0.590 0.000 15.598) 15.609 4.672 ( 2.749 0.000 0.395) 2.777 4.742 ( -4.013 0.000 0.931) 4.120 5.483 ( 22.399 0.000 -10.424) 24.706 5.649 ( 16.503 0.000 -7.903) 18.298 6.017 ( -19.150 0.000 -15.449) 24.604 6.030 ( -28.718 0.000 -13.534) 31.748 6.977 ( 13.219 0.000 6.632) 14.789 7.046 ( 4.378 0.000 7.965) 9.089 7.153 ( -6.328 0.000 6.812) 9.297 7.226 ( -10.485 0.000 0.993) 10.532 7.418 ( 12.565 0.000 2.895) 12.894 7.675 ( -12.273 0.000 0.461) 12.282 7.982 ( 7.021 0.000 -2.140) 7.340 8.093 ( -2.581 0.000 -7.406) 7.843 8.520 ( -0.825 0.000 4.664) 4.737 8.581 ( -5.681 0.000 1.138) 5.794 9.421 ( 9.015 0.000 5.576) 10.600 9.560 ( -4.591 0.000 2.474) 5.215 9.938 ( 9.806 0.000 -2.084) 10.025 10.094 ( -3.959 0.000 -4.364) 5.892 10.603 ( -3.280 0.000 2.038) 3.861 10.631 ( -5.963 0.000 1.357) 6.115 11.453 ( 9.076 0.000 9.240) 12.952 11.492 ( 7.943 0.000 13.369) 15.550 11.617 ( -6.677 0.000 7.020) 9.688 11.665 ( -9.035 0.000 12.349) 15.301 12.459 ( 13.180 0.000 0.401) 13.186 12.621 ( -0.840 0.000 -3.773) 3.865 13.468 ( 4.915 0.000 -14.731) 15.530 13.513 ( 12.401 0.000 -11.208) 16.715 13.692 ( -15.290 0.000 -16.213) 22.286 13.705 ( -3.755 0.000 -8.086) 8.915 13.903 ( 5.647 0.000 -4.787) 7.403 14.037 ( -8.728 0.000 -9.856) 13.165 15.043 ( 26.373 0.000 8.141) 27.601 15.495 ( -17.827 0.000 -0.418) 17.832 15.535 ( 20.097 0.000 11.279) 23.046 15.919 ( -16.928 0.000 8.940) 19.144 16.806 ( 9.576 0.000 -6.798) 11.743 16.836 ( 3.382 0.000 2.814) 4.399 16.882 ( -0.971 0.000 2.196) 2.401 16.993 ( -8.125 0.000 -6.031) 10.119 17.482 ( 2.682 0.000 10.089) 10.439 17.539 ( -2.697 0.000 8.861) 9.263 18.950 ( -1.220 0.000 -7.410) 7.509 18.954 ( -1.777 0.000 -7.890) 8.088 19.119 ( 4.497 0.000 -0.547) 4.531 19.239 ( -7.064 0.000 -2.931) 7.648 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 2.517 20.845) 20.997 1.717 ( 0.000 11.578 21.715) 24.609 2.575 ( 0.000 -3.868 -7.467) 8.409 2.775 ( 0.000 5.924 4.528) 7.457 2.906 ( 0.000 -8.096 -12.646) 15.015 2.934 ( 0.000 7.232 1.964) 7.494 3.069 ( 0.000 -11.651 3.741) 12.237 3.277 ( 0.000 5.089 -10.859) 11.993 3.323 ( 0.000 2.371 -3.027) 3.845 3.590 ( 0.000 -1.088 -0.071) 1.090 3.731 ( 0.000 -4.250 4.670) 6.314 4.579 ( 0.000 -10.791 -7.582) 13.188 4.784 ( 0.000 13.685 1.492) 13.766 5.189 ( 0.000 17.107 0.806) 17.126 5.437 ( 0.000 2.983 18.280) 18.522 5.580 ( 0.000 1.081 10.114) 10.172 6.156 ( 0.000 -1.953 16.670) 16.784 6.233 ( 0.000 -3.050 17.394) 17.659 6.679 ( 0.000 3.371 -8.010) 8.691 7.155 ( 0.000 -8.687 1.765) 8.864 7.289 ( 0.000 -5.047 -9.749) 10.978 7.481 ( 0.000 -6.321 -2.799) 6.913 7.570 ( 0.000 5.315 -15.253) 16.153 7.822 ( 0.000 0.004 -26.993) 26.993 8.244 ( 0.000 8.282 -2.570) 8.672 8.347 ( 0.000 10.625 -10.307) 14.803 8.475 ( 0.000 -2.536 10.320) 10.627 9.023 ( 0.000 -13.001 -4.768) 13.847 9.227 ( 0.000 -3.979 -5.697) 6.949 9.380 ( 0.000 -3.167 -5.373) 6.237 9.682 ( 0.000 -0.424 -6.119) 6.134 9.694 ( 0.000 -0.956 -9.328) 9.377 10.535 ( 0.000 1.080 10.644) 10.699 11.038 ( 0.000 -11.943 6.364) 13.533 11.234 ( 0.000 8.329 16.234) 18.246 11.560 ( 0.000 -2.790 15.023) 15.280 11.586 ( 0.000 1.292 8.270) 8.370 11.787 ( 0.000 20.618 -7.652) 21.992 11.966 ( 0.000 3.687 -0.668) 3.747 12.306 ( 0.000 -2.371 4.291) 4.903 12.498 ( 0.000 14.844 5.332) 15.773 13.189 ( 0.000 0.682 -16.904) 16.918 13.215 ( 0.000 -0.974 25.750) 25.768 13.316 ( 0.000 -3.307 8.880) 9.476 13.869 ( 0.000 -2.490 -16.152) 16.343 14.389 ( 0.000 0.167 -16.300) 16.301 14.882 ( 0.000 6.811 -22.411) 23.423 15.080 ( 0.000 -3.119 1.942) 3.675 15.612 ( 0.000 5.241 -16.585) 17.394 16.339 ( 0.000 -7.336 -14.001) 15.807 16.372 ( 0.000 -18.668 7.115) 19.978 16.397 ( 0.000 -14.413 -3.962) 14.948 16.726 ( 0.000 -3.856 4.917) 6.248 16.948 ( 0.000 4.511 -3.792) 5.893 17.600 ( 0.000 1.687 11.248) 11.374 17.603 ( 0.000 -0.977 6.980) 7.048 19.099 ( 0.000 0.034 8.475) 8.475 19.266 ( 0.000 9.216 4.835) 10.407 19.314 ( 0.000 -2.554 -1.242) 2.840 19.651 ( 0.000 2.012 -1.278) 2.384 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 8.914 2.234 19.576) 21.626 1.818 ( 8.811 8.813 16.999) 21.078 2.579 ( 0.613 -2.784 -7.030) 7.586 2.742 ( -2.893 3.526 4.619) 6.492 2.865 ( -3.694 -8.023 -10.806) 13.956 2.983 ( -1.088 -6.769 -8.929) 11.257 3.096 ( 6.635 1.472 7.291) 9.967 3.263 ( -0.397 6.448 -5.684) 8.605 3.411 ( 7.102 0.721 -6.249) 9.487 3.526 ( -5.212 -0.539 0.706) 5.287 3.743 ( 1.523 -3.956 6.541) 7.795 4.499 ( -7.282 -10.463 -6.583) 14.347 4.784 ( -0.397 13.404 2.488) 13.639 5.155 ( -2.799 15.953 3.594) 16.590 5.388 ( -3.598 7.189 13.010) 15.293 5.475 ( -7.513 -1.325 9.448) 12.144 6.268 ( 5.949 -3.467 16.449) 17.832 6.348 ( 12.939 -0.792 15.686) 20.349 6.690 ( 0.733 3.718 -8.919) 9.691 7.186 ( 1.577 -7.591 -1.626) 7.922 7.266 ( -4.139 -4.318 -8.730) 10.582 7.434 ( -2.498 -2.314 -4.473) 5.622 7.534 ( -2.468 -0.167 -14.355) 14.566 7.844 ( 0.319 -1.613 -18.785) 18.857 8.029 ( -11.342 9.809 -2.049) 15.135 8.274 ( -7.160 1.099 -5.097) 8.858 8.697 ( 13.847 4.484 4.716) 15.300 8.880 ( -9.508 -10.857 0.310) 14.435 9.170 ( -6.814 -3.448 -4.091) 8.663 9.464 ( 6.047 0.649 -5.322) 8.082 9.699 ( 0.941 1.304 -9.159) 9.299 9.779 ( 8.280 -1.416 -8.797) 12.163 10.585 ( 4.881 -0.113 10.106) 11.223 11.138 ( 7.177 -12.158 6.625) 15.595 11.260 ( 3.222 4.418 13.144) 14.236 11.327 ( -13.942 -0.332 10.660) 17.553 11.532 ( -8.574 -0.880 8.941) 12.419 11.872 ( 7.879 18.563 -6.272) 21.119 12.057 ( 8.134 6.506 -2.211) 10.648 12.360 ( -6.471 11.653 8.540) 15.831 12.589 ( 18.556 -1.456 3.038) 18.859 13.184 ( 0.217 -3.634 1.271) 3.857 13.357 ( 10.834 -2.703 1.584) 11.278 13.467 ( 14.804 1.502 13.826) 20.312 13.831 ( -3.474 -0.844 -15.741) 16.142 14.363 ( -2.578 -1.955 -16.374) 16.691 14.759 ( -10.451 8.158 -21.654) 25.390 15.062 ( -1.520 -1.901 4.594) 5.199 15.704 ( 7.079 4.580 -16.416) 18.454 16.315 ( -2.050 -10.463 4.666) 11.638 16.395 ( 2.733 -9.294 -12.308) 15.663 16.421 ( 1.915 -17.958 -0.346) 18.063 16.721 ( -0.049 -4.233 2.210) 4.775 17.009 ( 4.836 2.363 -4.307) 6.893 17.555 ( -3.504 1.383 12.477) 13.033 17.606 ( -0.510 -1.471 6.328) 6.517 19.079 ( -1.801 0.016 7.548) 7.760 19.236 ( -3.034 6.252 1.667) 7.146 19.282 ( -2.674 1.808 0.478) 3.263 19.624 ( -2.722 2.183 -1.575) 3.828 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 10.651 3.205 12.558) 16.776 2.039 ( 12.500 2.788 10.629) 16.643 2.605 ( 1.888 -1.594 -7.846) 8.226 2.657 ( -5.605 1.044 1.250) 5.837 2.763 ( -6.081 -9.268 -5.201) 12.244 2.933 ( -1.945 -9.884 -3.094) 10.538 3.132 ( -4.286 4.869 -5.176) 8.299 3.300 ( 0.034 3.141 -4.093) 5.159 3.468 ( 1.292 0.471 1.111) 1.768 3.561 ( 5.864 1.032 -8.718) 10.558 3.845 ( 10.753 -5.433 12.693) 17.500 4.319 ( -9.442 -10.434 -4.036) 14.639 4.770 ( -0.116 12.863 4.017) 13.476 5.113 ( -0.810 17.171 3.932) 17.634 5.324 ( -5.499 1.325 8.117) 9.894 5.353 ( -0.528 6.563 4.913) 8.215 6.414 ( 8.518 -2.677 14.578) 17.095 6.595 ( 4.626 1.168 -3.009) 5.641 6.707 ( 4.387 2.101 1.300) 5.034 7.014 ( -15.384 -5.224 -13.306) 21.000 7.244 ( -1.237 0.857 -1.848) 2.383 7.382 ( -1.489 2.063 -4.449) 5.125 7.525 ( -0.958 -6.905 -2.703) 7.477 7.755 ( -4.134 3.037 -5.946) 7.853 7.957 ( 1.486 1.000 -6.754) 6.987 8.117 ( -7.265 0.343 -2.490) 7.688 8.703 ( -8.119 -8.667 3.428) 12.361 8.832 ( -5.751 -7.018 -2.439) 9.395 9.117 ( 7.655 11.354 5.957) 14.933 9.573 ( 4.927 1.753 -3.027) 6.042 9.737 ( 2.735 6.194 -7.958) 10.449 9.950 ( 7.674 -1.319 -9.470) 12.260 10.698 ( 4.236 -2.906 7.650) 9.215 11.046 ( -13.196 -2.915 4.630) 14.286 11.162 ( -4.188 -6.666 10.837) 13.395 11.410 ( 1.001 10.624 11.409) 15.622 11.423 ( 8.505 -13.918 6.186) 17.445 12.064 ( 10.368 15.441 -2.514) 18.768 12.163 ( -7.180 14.483 6.137) 17.291 12.292 ( 10.513 4.990 -1.658) 11.755 12.987 ( 15.781 -4.206 -3.690) 16.744 13.251 ( 7.997 -6.661 6.217) 12.123 13.552 ( 7.811 -3.671 -8.333) 11.997 13.754 ( -2.674 2.921 -14.395) 14.929 13.865 ( 21.343 -0.846 14.253) 25.679 14.289 ( -4.118 -3.340 -13.044) 14.080 14.523 ( -11.664 9.634 -20.304) 25.320 15.053 ( 2.124 1.318 10.925) 11.207 15.816 ( 2.607 3.214 -14.543) 15.120 16.271 ( -2.639 -5.869 9.447) 11.430 16.471 ( 3.349 -18.347 0.397) 18.655 16.476 ( 4.861 -8.513 -12.412) 15.816 16.730 ( 0.752 -5.372 -0.503) 5.448 17.094 ( 2.705 -0.392 -5.624) 6.253 17.477 ( -3.645 0.080 12.896) 13.401 17.583 ( -1.777 -3.123 6.440) 7.375 19.037 ( -2.061 0.223 4.454) 4.912 19.154 ( -4.434 3.850 -3.428) 6.799 19.224 ( -2.950 7.623 1.718) 8.352 19.543 ( -5.181 2.631 -2.332) 6.261 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 6.746 0.309 4.829) 8.302 2.256 ( 7.421 1.709 1.093) 7.694 2.528 ( -6.485 2.803 -4.026) 8.132 2.646 ( 1.004 -0.703 -8.879) 8.963 2.668 ( -0.477 -11.049 4.173) 11.821 2.907 ( -1.524 -10.862 0.551) 10.982 3.052 ( -1.758 6.133 -3.342) 7.203 3.243 ( -3.944 3.458 -1.708) 5.516 3.473 ( -1.214 -0.094 -2.371) 2.666 3.609 ( -1.626 0.274 -6.939) 7.132 4.098 ( 7.731 -14.897 8.206) 18.682 4.197 ( 0.557 -10.763 2.898) 11.160 4.827 ( 6.413 14.183 3.729) 16.006 5.114 ( -0.344 23.365 1.905) 23.445 5.242 ( 0.670 -1.376 -0.252) 1.551 5.441 ( 8.928 6.890 0.982) 11.320 6.400 ( -16.362 1.875 -17.216) 23.825 6.538 ( -12.951 1.545 -8.450) 15.541 6.711 ( 3.105 -4.757 4.057) 6.981 6.917 ( 7.232 -1.735 8.007) 10.929 7.226 ( 1.704 3.519 3.057) 4.963 7.338 ( -5.175 3.681 3.337) 7.174 7.484 ( -0.068 2.833 -2.833) 4.007 7.738 ( -1.211 -2.271 -2.648) 3.692 8.000 ( 0.422 -0.505 -1.573) 1.705 8.029 ( 1.612 0.357 -3.053) 3.471 8.537 ( -8.520 -8.423 4.676) 12.861 8.640 ( -9.641 -8.257 -1.126) 12.743 9.337 ( 11.248 12.576 7.051) 18.286 9.664 ( 3.125 4.845 0.210) 5.770 9.804 ( 4.665 5.755 -5.277) 9.096 10.074 ( 4.413 -0.859 -7.361) 8.626 10.675 ( -5.811 -3.436 4.115) 7.906 10.773 ( -13.331 -5.085 1.928) 14.398 11.173 ( 6.285 -8.719 9.627) 14.430 11.492 ( 5.903 8.756 14.937) 18.293 11.543 ( 1.977 -9.828 4.716) 11.079 11.983 ( -9.209 12.839 11.202) 19.369 12.289 ( 12.193 11.327 0.088) 16.643 12.547 ( 11.937 6.187 -7.530) 15.410 13.206 ( 8.892 -6.706 -9.524) 14.654 13.384 ( 2.101 -8.830 -2.814) 9.503 13.706 ( 0.285 4.278 -7.026) 8.231 13.742 ( 7.571 -1.956 -7.188) 10.621 14.065 ( -2.103 -5.334 -15.126) 16.177 14.167 ( -13.320 3.196 -12.626) 18.630 14.570 ( 22.542 7.441 7.859) 25.005 15.203 ( 13.225 2.840 13.664) 19.227 15.774 ( -7.169 1.886 -9.717) 12.222 16.173 ( -8.142 -1.946 8.527) 11.949 16.551 ( 4.556 -19.710 2.532) 20.387 16.592 ( 6.194 -6.914 -7.514) 11.942 16.750 ( 1.441 -6.321 -1.065) 6.570 17.094 ( -2.923 -1.791 -5.289) 6.303 17.426 ( -1.187 -3.051 10.805) 11.290 17.534 ( -2.953 -5.154 7.429) 9.512 19.012 ( -0.122 1.959 -1.239) 2.321 19.080 ( -2.646 6.432 -5.744) 9.020 19.170 ( -2.024 8.074 0.184) 8.326 19.419 ( -6.919 3.140 -3.084) 8.200 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.917 -2.053 -1.738) 3.303 2.290 ( -3.622 -3.224 -4.409) 6.554 2.504 ( 5.140 7.894 -4.550) 10.461 2.610 ( -3.740 1.973 -5.181) 6.687 2.752 ( 5.513 -10.026 1.745) 11.574 2.850 ( -3.983 -10.312 2.116) 11.255 3.077 ( 3.330 4.334 -0.875) 5.535 3.158 ( -4.388 3.150 -0.117) 5.403 3.463 ( 1.028 0.674 -2.410) 2.706 3.525 ( -4.823 0.792 -4.653) 6.749 4.170 ( 3.662 -17.989 7.287) 19.752 4.234 ( -1.373 -17.002 8.408) 19.017 4.967 ( 5.490 17.334 2.680) 18.379 5.057 ( -4.034 20.706 2.303) 21.220 5.478 ( 21.278 -0.059 -11.069) 23.985 5.708 ( 17.101 6.722 -6.001) 19.330 5.970 ( -24.499 -2.353 -15.625) 29.153 6.115 ( -22.303 6.791 -12.777) 26.586 6.911 ( 9.867 -3.534 8.077) 13.232 7.009 ( 1.018 -3.498 5.691) 6.758 7.234 ( -2.349 6.377 4.938) 8.400 7.256 ( -1.661 3.670 4.055) 5.716 7.529 ( 5.051 7.378 0.621) 8.963 7.657 ( -6.216 0.241 -1.386) 6.373 8.029 ( 3.538 3.042 2.182) 5.152 8.086 ( 0.161 -0.871 -4.663) 4.746 8.409 ( -1.781 -11.033 5.063) 12.269 8.476 ( -6.622 -9.964 1.236) 12.027 9.536 ( 8.158 11.345 5.424) 14.989 9.657 ( -3.605 9.606 2.860) 10.651 9.952 ( 9.089 1.691 -2.573) 9.596 10.098 ( -3.305 0.408 -4.033) 5.230 10.547 ( -4.152 -5.199 1.341) 6.787 10.572 ( -5.737 -5.130 0.786) 7.737 11.338 ( 8.717 -10.404 8.203) 15.859 11.490 ( -5.635 -12.092 7.285) 15.200 11.639 ( 7.578 13.678 13.729) 20.808 11.802 ( -8.587 13.353 12.746) 20.359 12.537 ( 11.304 7.312 -1.461) 13.542 12.679 ( -0.775 5.655 -5.357) 7.828 13.348 ( 6.794 -8.508 -12.715) 16.740 13.489 ( 3.283 -7.841 -9.516) 12.759 13.590 ( -0.846 -3.015 -9.302) 9.815 13.847 ( -15.843 -0.500 -10.292) 18.899 13.930 ( 6.276 4.494 -7.891) 11.039 14.017 ( -2.560 5.793 -9.896) 11.749 15.084 ( 24.949 3.114 5.439) 25.725 15.497 ( -6.609 -0.193 0.101) 6.613 15.578 ( 8.681 3.948 8.877) 13.028 15.927 ( -15.999 0.794 8.780) 18.267 16.637 ( 3.497 -18.397 3.316) 19.018 16.674 ( 0.551 -15.744 1.003) 15.786 16.826 ( 6.996 -0.860 -4.173) 8.191 16.984 ( -7.445 -1.297 -4.706) 8.902 17.428 ( 1.278 -6.018 8.806) 10.742 17.472 ( -2.918 -6.630 8.037) 10.820 19.024 ( 0.929 6.530 -6.519) 9.273 19.046 ( -1.173 8.560 -6.840) 11.020 19.171 ( 2.830 4.958 -1.113) 5.816 19.276 ( -6.824 3.512 -2.909) 8.208 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.000 8.093 14.963) 17.011 1.990 ( 0.000 14.933 14.070) 20.518 2.499 ( 0.000 -3.745 1.644) 4.090 2.734 ( 0.000 -7.412 -7.594) 10.612 2.800 ( 0.000 -12.156 -1.464) 12.244 2.927 ( 0.000 9.474 -0.454) 9.485 3.124 ( 0.000 6.953 2.935) 7.547 3.318 ( 0.000 -6.097 -6.950) 9.245 3.368 ( 0.000 1.904 -10.892) 11.057 3.537 ( 0.000 1.299 -7.694) 7.803 3.643 ( 0.000 -4.355 1.172) 4.509 4.344 ( 0.000 -13.691 -8.457) 16.092 5.120 ( 0.000 20.087 10.374) 22.607 5.544 ( 0.000 17.631 8.086) 19.397 5.545 ( 0.000 9.802 13.363) 16.573 5.677 ( 0.000 8.159 14.251) 16.421 6.099 ( 0.000 -4.069 12.897) 13.524 6.150 ( 0.000 -4.777 16.432) 17.112 6.774 ( 0.000 6.080 -8.636) 10.562 6.919 ( 0.000 -14.903 2.703) 15.146 7.146 ( 0.000 -10.886 -9.406) 14.387 7.287 ( 0.000 -11.424 -5.446) 12.656 7.694 ( 0.000 5.759 -14.381) 15.492 7.822 ( 0.000 -0.058 -24.944) 24.944 8.424 ( 0.000 -1.708 3.526) 3.918 8.458 ( 0.000 13.034 1.443) 13.114 8.552 ( 0.000 6.917 -5.991) 9.151 8.794 ( 0.000 -7.086 -8.252) 10.876 9.134 ( 0.000 -5.471 -6.407) 8.426 9.249 ( 0.000 -9.945 -3.531) 10.553 9.667 ( 0.000 -1.157 -7.764) 7.850 9.671 ( 0.000 -1.309 -9.390) 9.481 10.570 ( 0.000 2.672 13.790) 14.046 10.852 ( 0.000 -7.621 13.537) 15.534 11.385 ( 0.000 5.127 17.220) 17.967 11.502 ( 0.000 -2.963 15.277) 15.562 11.677 ( 0.000 9.666 7.593) 12.292 12.066 ( 0.000 6.818 -3.213) 7.537 12.172 ( 0.000 16.533 -9.508) 19.072 12.233 ( 0.000 -3.555 2.139) 4.149 12.780 ( 0.000 9.078 -0.635) 9.100 13.146 ( 0.000 -5.018 7.686) 9.179 13.245 ( 0.000 3.926 -9.154) 9.960 13.315 ( 0.000 7.460 7.870) 10.844 13.783 ( 0.000 -5.776 -9.994) 11.543 14.385 ( 0.000 -1.720 -8.626) 8.796 15.007 ( 0.000 4.181 -14.356) 14.953 15.027 ( 0.000 -1.980 5.167) 5.534 15.720 ( 0.000 4.248 -18.957) 19.427 15.954 ( 0.000 -20.352 -3.938) 20.730 16.086 ( 0.000 -8.958 4.558) 10.051 16.318 ( 0.000 -2.815 -16.694) 16.930 16.623 ( 0.000 -5.767 2.955) 6.480 16.904 ( 0.000 -7.956 -8.523) 11.660 17.603 ( 0.000 0.792 11.683) 11.710 17.623 ( 0.000 0.629 12.184) 12.201 19.118 ( 0.000 1.684 8.951) 9.108 19.259 ( 0.000 -2.999 2.327) 3.796 19.457 ( 0.000 9.799 1.911) 9.984 19.689 ( 0.000 1.456 -1.166) 1.865 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.388 6.135 15.013) 17.431 2.043 ( 4.677 12.311 10.665) 16.946 2.514 ( 1.478 -3.522 1.998) 4.311 2.705 ( -2.958 -6.397 -6.248) 9.419 2.769 ( -2.919 -10.411 -1.490) 10.915 2.862 ( -5.002 6.763 -2.594) 8.803 3.177 ( 2.161 0.583 3.612) 4.249 3.324 ( 1.021 -0.055 -7.652) 7.720 3.390 ( 1.880 -3.046 -9.593) 10.239 3.539 ( 1.012 1.674 -8.624) 8.843 3.662 ( 2.472 -1.438 1.545) 3.251 4.281 ( -5.940 -12.166 -7.812) 15.631 5.114 ( -1.897 19.102 11.990) 22.633 5.439 ( -4.874 13.655 9.709) 17.450 5.459 ( -7.922 1.699 14.469) 16.583 5.679 ( 0.482 20.280 4.335) 20.744 6.217 ( 6.956 -1.695 14.639) 16.296 6.293 ( 14.152 -5.233 15.877) 21.903 6.791 ( 1.115 6.689 -9.726) 11.857 6.974 ( 4.566 -14.061 0.705) 14.800 7.118 ( -4.707 -11.785 -6.968) 14.478 7.276 ( 1.359 -9.199 -9.187) 13.072 7.635 ( -5.447 6.024 -11.405) 14.001 7.812 ( -1.359 -1.680 -19.298) 19.419 8.204 ( -11.735 5.392 2.369) 13.130 8.293 ( -12.255 2.681 -4.414) 13.299 8.635 ( -2.440 -8.845 -0.027) 9.176 8.826 ( 0.584 2.790 -6.166) 6.793 9.122 ( 6.054 0.587 -0.075) 6.083 9.454 ( 11.532 -1.971 -5.141) 12.779 9.710 ( 5.104 -0.177 -9.722) 10.982 9.745 ( 7.172 -1.933 -9.096) 11.744 10.595 ( 2.086 1.454 13.156) 13.400 10.919 ( 6.116 -9.747 11.896) 16.550 11.284 ( -12.011 -1.026 11.652) 16.766 11.328 ( -10.619 -1.908 14.634) 18.181 11.655 ( -0.806 14.073 7.685) 16.055 12.148 ( 8.024 7.212 -4.781) 11.801 12.259 ( 7.784 15.951 -7.475) 19.259 12.471 ( 16.041 -2.642 3.029) 16.537 12.680 ( -5.554 10.149 1.540) 11.671 13.072 ( -3.200 -6.662 8.487) 11.254 13.347 ( 8.240 1.485 -11.608) 14.312 13.517 ( 14.785 4.978 6.724) 16.988 13.777 ( -0.146 -4.421 -9.183) 10.192 14.322 ( -5.688 -3.040 -6.706) 9.304 14.905 ( -7.815 5.120 -12.390) 15.518 15.055 ( 1.495 1.946 3.838) 4.556 15.766 ( 3.598 -1.179 -15.795) 16.242 15.961 ( 0.720 -21.395 -2.779) 21.587 16.120 ( 2.924 -5.834 1.715) 6.747 16.338 ( 1.909 -2.401 -13.093) 13.448 16.626 ( 0.616 -4.877 1.038) 5.024 16.948 ( 3.640 -8.069 -8.809) 12.489 17.574 ( -4.434 0.384 12.793) 13.545 17.584 ( -2.241 -0.577 10.804) 11.050 19.100 ( -1.529 1.963 7.871) 8.255 19.237 ( -1.880 -1.772 1.313) 2.898 19.443 ( -1.359 9.693 1.429) 9.892 19.666 ( -2.299 1.718 -1.470) 3.225 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 10.023 1.851 12.439) 16.081 2.153 ( 5.770 6.344 5.245) 10.052 2.548 ( 0.895 -3.899 2.675) 4.812 2.617 ( -4.929 -3.736 -1.010) 6.267 2.702 ( -2.799 -2.830 -5.595) 6.867 2.766 ( -4.236 -0.920 -2.881) 5.205 3.140 ( -3.597 -4.323 1.111) 5.732 3.313 ( -3.023 -2.073 -6.030) 7.057 3.469 ( 4.139 0.179 -9.313) 10.192 3.582 ( 2.222 -1.606 -6.511) 7.065 3.763 ( 7.503 -0.123 1.454) 7.643 4.127 ( -8.537 -9.202 -5.898) 13.868 5.036 ( -3.432 12.076 10.350) 16.271 5.278 ( -7.335 -0.247 8.156) 10.971 5.482 ( 6.796 19.037 9.968) 22.538 5.666 ( -1.838 22.580 0.192) 22.655 6.407 ( 11.517 1.745 13.710) 17.990 6.566 ( 10.866 -4.911 10.407) 15.827 6.770 ( -7.654 2.753 -14.833) 16.917 6.883 ( -8.883 -6.323 -8.770) 13.993 7.145 ( 6.914 -10.200 -1.260) 12.387 7.356 ( 4.653 -6.736 -4.773) 9.476 7.512 ( -5.022 6.323 -3.370) 8.750 7.755 ( -3.614 -2.124 -9.783) 10.644 8.024 ( -7.363 3.216 0.493) 8.050 8.079 ( -6.206 -3.713 -1.426) 7.371 8.535 ( -6.892 -6.959 0.612) 9.814 8.702 ( -9.949 -5.796 -3.277) 11.971 9.359 ( 13.536 12.654 5.179) 19.240 9.621 ( 6.520 3.168 -2.933) 7.820 9.837 ( 6.871 2.293 -9.255) 11.752 9.948 ( 10.197 2.241 -9.083) 13.839 10.634 ( 1.011 -2.817 10.900) 11.303 10.983 ( -12.683 -3.306 3.382) 13.536 11.037 ( -3.762 -6.229 11.310) 13.449 11.148 ( -1.304 -13.535 10.828) 17.383 11.699 ( 4.748 18.397 10.409) 21.664 12.331 ( 8.938 9.443 -6.091) 14.358 12.425 ( 0.801 12.574 3.655) 13.119 12.486 ( 2.467 14.484 -3.698) 15.151 12.877 ( 12.484 -6.805 -4.356) 14.870 13.082 ( 5.093 -9.802 8.064) 13.676 13.527 ( 9.896 1.196 -9.489) 13.762 13.763 ( 3.556 -1.312 -15.575) 16.030 13.833 ( 7.962 -2.748 3.982) 9.317 14.216 ( -1.589 -5.192 -0.578) 5.460 14.732 ( -7.657 12.105 -10.256) 17.617 15.113 ( 5.072 5.062 8.365) 11.015 15.811 ( -0.522 -6.694 -15.815) 17.181 15.995 ( 3.110 -26.174 1.504) 26.401 16.170 ( 1.452 -0.731 2.893) 3.318 16.396 ( 3.505 -2.152 -7.168) 8.264 16.656 ( 2.256 -2.282 -2.906) 4.330 17.019 ( 2.715 -7.185 -8.289) 11.301 17.451 ( -7.094 -2.350 12.164) 14.277 17.517 ( -4.504 -3.339 9.920) 11.395 19.071 ( -0.859 3.093 4.582) 5.594 19.199 ( -1.495 0.922 -0.981) 2.011 19.402 ( -2.600 9.507 -0.006) 9.856 19.597 ( -4.512 2.409 -2.235) 5.582 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 4.554 0.599 4.825) 6.662 2.258 ( 3.611 -1.572 1.786) 4.325 2.486 ( -2.961 -6.794 5.938) 9.497 2.600 ( 1.973 2.636 -0.909) 3.416 2.672 ( -2.206 4.274 -10.425) 11.481 2.709 ( 0.094 -7.631 3.291) 8.311 3.094 ( -0.468 -1.868 -2.017) 2.788 3.237 ( -4.082 -3.958 -3.237) 6.543 3.499 ( -0.164 2.260 -5.183) 5.657 3.598 ( -1.319 -2.137 -4.592) 5.234 3.876 ( 0.569 -6.986 1.683) 7.209 3.994 ( -2.728 -9.211 -1.391) 9.707 5.057 ( 6.068 8.302 2.767) 10.649 5.214 ( 2.218 -1.299 -0.350) 2.594 5.584 ( -3.456 23.308 -0.938) 23.581 5.688 ( 10.193 19.747 4.807) 22.737 6.404 ( -22.456 -3.054 -17.606) 28.698 6.603 ( -8.708 4.883 -8.803) 13.311 6.662 ( 12.162 1.428 12.158) 17.256 6.880 ( 5.023 -1.928 1.806) 5.675 7.252 ( 3.134 -2.408 0.254) 3.960 7.422 ( 2.805 -0.461 1.012) 3.017 7.463 ( -1.001 2.719 1.417) 3.225 7.756 ( 3.960 -0.631 -3.884) 5.583 7.910 ( -2.137 -5.130 -0.089) 5.558 8.029 ( -0.451 -3.477 2.886) 4.541 8.352 ( -11.054 -8.674 2.403) 14.255 8.494 ( -10.147 -5.426 0.367) 11.512 9.612 ( 11.372 13.294 6.841) 18.784 9.754 ( 6.830 5.561 -0.093) 8.808 9.967 ( 5.351 7.701 -6.223) 11.254 10.089 ( 3.671 5.880 -5.397) 8.785 10.587 ( -5.989 -5.634 4.516) 9.381 10.684 ( -14.389 -3.385 2.303) 14.960 10.982 ( 2.042 -10.478 8.293) 13.517 11.216 ( 2.315 -18.245 8.221) 20.145 11.825 ( 7.379 20.164 12.308) 24.749 12.281 ( -7.414 16.815 8.246) 20.142 12.525 ( 9.107 12.593 -2.438) 15.731 12.689 ( 10.668 7.081 -9.183) 15.757 13.045 ( 6.677 -9.382 -10.162) 15.358 13.174 ( 2.420 -12.464 3.117) 13.074 13.667 ( -6.658 -3.238 -9.399) 11.965 13.805 ( 5.534 -3.025 -11.450) 13.072 13.885 ( 2.942 -2.457 -2.876) 4.792 14.297 ( 3.476 4.156 -10.705) 11.998 14.732 ( 11.358 10.848 2.971) 15.985 15.286 ( 12.217 5.823 11.722) 17.904 15.727 ( -7.414 -9.405 -13.603) 18.123 16.067 ( 1.992 -21.517 3.528) 21.895 16.175 ( -0.157 -2.709 7.525) 7.999 16.437 ( -0.606 -5.883 -0.700) 5.955 16.719 ( 4.308 1.289 -4.767) 6.553 17.033 ( -1.626 -4.240 -5.606) 7.214 17.318 ( -5.190 -7.181 10.013) 13.371 17.409 ( -5.783 -7.328 7.749) 12.133 19.084 ( 2.450 4.952 -0.025) 5.525 19.187 ( 0.383 3.865 -3.323) 5.112 19.342 ( -3.286 8.903 -1.922) 9.683 19.486 ( -6.318 3.275 -3.025) 7.733 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.953 0.049 0.779) 1.232 2.248 ( -2.747 -0.572 -1.807) 3.337 2.521 ( 4.430 -10.016 7.232) 13.124 2.606 ( -3.809 -6.768 -0.328) 7.773 2.672 ( 4.160 5.986 -4.537) 8.586 2.722 ( -0.388 2.125 -2.543) 3.337 3.112 ( 1.720 -1.149 -3.024) 3.664 3.160 ( -3.204 -3.041 -2.260) 4.962 3.500 ( 0.694 3.290 -1.929) 3.876 3.539 ( -3.235 0.545 -2.784) 4.303 3.871 ( 1.661 -12.436 4.197) 13.230 3.941 ( -4.044 -12.937 4.066) 14.151 5.234 ( 9.344 9.587 -3.452) 13.825 5.348 ( 4.026 6.837 -4.884) 9.317 5.525 ( 5.257 6.638 -11.065) 13.933 5.843 ( -10.835 -0.284 -10.525) 15.108 6.035 ( 2.503 17.107 -4.681) 17.912 6.318 ( -16.660 15.158 -6.866) 23.547 6.881 ( 8.195 0.232 8.426) 11.756 6.957 ( 0.908 -2.502 4.881) 5.560 7.301 ( 2.174 1.595 1.333) 3.008 7.360 ( -4.066 4.830 2.678) 6.858 7.589 ( 8.675 -0.000 -2.210) 8.952 7.741 ( -5.310 4.643 -1.038) 7.130 8.001 ( 5.985 -6.138 5.247) 10.051 8.064 ( 5.324 -3.549 2.210) 6.770 8.140 ( -7.137 -13.897 6.229) 16.819 8.285 ( -10.849 -7.262 1.674) 13.162 9.811 ( 7.782 15.341 6.872) 18.524 9.874 ( 3.072 10.534 5.024) 12.068 10.033 ( 2.582 8.714 -3.452) 9.722 10.111 ( -2.007 1.243 -2.606) 3.517 10.447 ( -5.123 -4.141 -0.427) 6.601 10.469 ( -5.949 -4.682 -0.871) 7.620 11.084 ( 6.424 -15.534 7.321) 18.335 11.197 ( -3.941 -17.809 7.350) 19.665 11.982 ( 7.832 21.308 12.590) 25.960 12.134 ( -7.314 20.233 10.822) 24.083 12.708 ( 8.383 10.019 -4.344) 13.767 12.815 ( -0.306 8.012 -8.213) 11.477 13.159 ( 6.733 -11.624 -8.512) 15.903 13.264 ( 3.105 -14.532 -4.620) 15.562 13.492 ( -3.797 -7.257 -7.029) 10.793 13.648 ( -12.411 -14.620 -6.506) 20.251 14.127 ( 11.449 14.342 -8.985) 20.433 14.283 ( -4.155 17.829 -12.483) 22.158 15.096 ( 20.328 -3.792 -0.866) 20.697 15.441 ( -10.134 -7.906 -7.155) 14.711 15.657 ( 12.436 4.165 10.769) 16.970 15.954 ( -12.342 2.164 8.611) 15.204 16.244 ( 5.902 -19.341 7.492) 21.565 16.367 ( -5.583 -13.179 4.865) 15.117 16.830 ( 6.390 1.388 -3.617) 7.473 16.956 ( -5.583 -0.989 -3.425) 6.624 17.264 ( -0.117 -10.291 6.698) 12.279 17.306 ( -3.963 -10.062 5.778) 12.261 19.163 ( 4.547 7.002 -4.152) 9.324 19.210 ( 1.053 7.159 -5.075) 8.839 19.283 ( -1.383 6.212 -2.697) 6.911 19.353 ( -6.444 3.881 -3.021) 8.106 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 11.218 9.438) 14.660 2.135 ( 0.000 -3.580 6.098) 7.071 2.479 ( 0.000 3.718 3.446) 5.069 2.600 ( 0.000 -8.443 -0.834) 8.484 2.735 ( 0.000 9.265 3.617) 9.946 3.012 ( 0.000 -16.050 10.204) 19.020 3.126 ( 0.000 10.876 -6.978) 12.922 3.267 ( 0.000 -0.286 -17.026) 17.029 3.386 ( 0.000 0.022 -12.035) 12.035 3.428 ( 0.000 -7.664 -3.961) 8.627 3.783 ( 0.000 13.723 -8.107) 15.939 4.065 ( 0.000 -15.141 -8.835) 17.530 5.490 ( 0.000 16.949 24.010) 29.390 5.707 ( 0.000 -3.417 23.601) 23.847 5.783 ( 0.000 12.000 10.204) 15.752 5.886 ( 0.000 14.762 8.769) 17.170 5.973 ( 0.000 -8.619 14.308) 16.704 6.113 ( 0.000 -3.113 3.483) 4.672 6.672 ( 0.000 -3.353 -0.604) 3.407 6.862 ( 0.000 -16.854 -4.403) 17.419 6.924 ( 0.000 8.314 -8.150) 11.642 7.092 ( 0.000 -9.210 -8.274) 12.381 7.777 ( 0.000 3.018 -18.054) 18.305 7.814 ( 0.000 -0.973 -21.814) 21.835 8.417 ( 0.000 1.745 1.941) 2.611 8.498 ( 0.000 -6.429 0.066) 6.429 8.731 ( 0.000 14.601 -1.164) 14.647 8.859 ( 0.000 7.196 -11.738) 13.768 9.022 ( 0.000 -6.297 -7.818) 10.039 9.025 ( 0.000 -12.379 -1.408) 12.459 9.647 ( 0.000 -0.611 -8.653) 8.675 9.649 ( 0.000 -0.798 -9.204) 9.239 10.638 ( 0.000 4.308 16.556) 17.108 10.731 ( 0.000 -5.436 16.858) 17.712 11.431 ( 0.000 1.085 15.539) 15.577 11.456 ( 0.000 -1.791 15.041) 15.147 11.911 ( 0.000 12.383 9.327) 15.503 12.104 ( 0.000 -7.889 7.401) 10.818 12.229 ( 0.000 10.015 -5.810) 11.579 12.375 ( 0.000 -0.758 -9.918) 9.947 12.850 ( 0.000 5.018 -0.807) 5.083 13.009 ( 0.000 -8.994 0.795) 9.029 13.351 ( 0.000 6.886 -13.022) 14.731 13.472 ( 0.000 -2.308 -14.196) 14.382 13.839 ( 0.000 18.928 6.991) 20.178 14.237 ( 0.000 -15.975 -0.812) 15.995 15.001 ( 0.000 -0.930 8.461) 8.512 15.007 ( 0.000 -2.005 3.642) 4.158 15.718 ( 0.000 -4.076 -16.249) 16.753 15.720 ( 0.000 -2.395 -19.229) 19.378 16.088 ( 0.000 6.836 -3.633) 7.741 16.234 ( 0.000 -6.680 -10.663) 12.583 16.574 ( 0.000 2.377 -3.387) 4.137 16.711 ( 0.000 -10.434 -8.415) 13.405 17.619 ( 0.000 0.697 12.903) 12.922 17.627 ( 0.000 -0.129 12.773) 12.774 19.157 ( 0.000 2.326 7.748) 8.090 19.205 ( 0.000 -2.667 5.490) 6.103 19.614 ( 0.000 6.258 0.248) 6.263 19.690 ( 0.000 -1.742 -0.696) 1.876 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 2.912 9.697 10.049) 14.264 2.149 ( 1.220 -4.002 5.726) 7.092 2.492 ( 1.212 2.747 2.511) 3.914 2.591 ( -0.928 -7.346 -1.062) 7.480 2.712 ( -2.073 8.467 2.878) 9.180 2.935 ( -5.834 -8.631 0.451) 10.428 3.113 ( -1.982 5.514 2.130) 6.234 3.296 ( -1.652 -8.729 -9.853) 13.267 3.377 ( 3.006 3.936 -12.467) 13.414 3.453 ( 2.596 -4.882 -9.895) 11.335 3.806 ( 1.954 11.635 -7.274) 13.860 4.042 ( -2.312 -12.637 -8.188) 15.235 5.400 ( -10.151 8.984 19.441) 23.701 5.478 ( -12.544 -0.373 16.600) 20.810 5.771 ( 3.075 20.475 9.421) 22.747 6.049 ( 9.499 12.240 14.027) 20.900 6.127 ( 7.056 -9.599 6.598) 13.619 6.207 ( 11.030 -1.335 12.669) 16.850 6.732 ( 4.811 -6.568 -0.498) 8.157 6.842 ( -3.028 -13.827 -4.672) 14.906 6.943 ( 2.324 7.908 -9.496) 12.574 7.108 ( 2.404 -8.733 -10.152) 13.605 7.727 ( -4.548 3.579 -14.091) 15.234 7.778 ( -3.229 -2.034 -17.303) 17.719 8.239 ( -12.344 1.661 -0.617) 12.471 8.301 ( -15.776 -3.904 -1.583) 16.329 8.622 ( -4.145 7.249 -1.972) 8.580 8.777 ( -8.296 -6.956 -4.393) 11.684 9.227 ( 19.272 8.395 -2.422) 21.160 9.376 ( 18.217 -6.299 -4.752) 19.853 9.703 ( 5.917 -0.116 -9.696) 11.359 9.714 ( 7.085 -1.194 -9.422) 11.848 10.651 ( 0.889 4.464 15.909) 16.548 10.762 ( 2.847 -6.996 15.882) 17.587 11.269 ( -13.745 -0.225 11.682) 18.040 11.284 ( -13.515 -1.814 12.654) 18.603 11.966 ( 4.092 16.153 7.988) 18.479 12.192 ( 7.650 -5.124 2.386) 9.512 12.418 ( 14.057 2.663 -0.718) 14.325 12.484 ( 10.881 1.034 -8.309) 13.730 12.794 ( -4.467 6.412 -1.115) 7.893 12.957 ( -3.894 -7.340 2.029) 8.553 13.416 ( 6.294 5.974 -12.432) 15.160 13.548 ( 6.246 -6.019 -13.915) 16.397 13.853 ( 1.049 16.563 6.039) 17.661 14.182 ( -5.334 -13.324 0.030) 14.352 14.971 ( -1.053 3.728 5.687) 6.881 15.060 ( 4.155 -3.736 7.443) 9.307 15.653 ( -4.029 -3.310 -13.299) 14.285 15.706 ( -2.688 -6.903 -18.454) 19.886 16.156 ( 5.222 5.920 -4.005) 8.852 16.270 ( 3.274 -5.213 -7.450) 9.664 16.599 ( 2.649 3.671 -5.075) 6.801 16.753 ( 3.796 -10.766 -9.097) 14.597 17.574 ( -5.100 0.114 12.501) 13.502 17.579 ( -4.092 -0.279 12.614) 13.264 19.146 ( -0.821 2.673 6.661) 7.224 19.196 ( -0.633 -2.441 4.471) 5.133 19.598 ( -1.528 6.140 -0.171) 6.329 19.671 ( -1.845 -1.531 -1.040) 2.613 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 5.099 5.009 10.024) 12.311 2.176 ( 1.294 -4.158 5.473) 6.994 2.508 ( -0.879 0.475 0.958) 1.384 2.564 ( -1.680 -5.035 -2.606) 5.913 2.676 ( -0.265 7.794 4.458) 8.983 2.827 ( -3.945 -2.417 -5.986) 7.565 3.057 ( -2.776 1.831 3.314) 4.695 3.209 ( -4.981 -9.011 -4.352) 11.179 3.476 ( 4.172 0.856 -12.213) 12.935 3.512 ( 2.472 -3.087 -8.713) 9.569 3.846 ( 1.538 6.374 -5.909) 8.827 3.974 ( -4.374 -7.063 -6.834) 10.757 5.193 ( -7.619 5.046 11.272) 14.511 5.256 ( -8.523 -1.974 10.074) 13.343 5.926 ( 10.158 24.633 9.668) 28.345 6.091 ( -2.979 18.888 -1.204) 19.159 6.364 ( 13.290 -12.617 15.030) 23.700 6.420 ( 7.101 -8.313 12.674) 16.738 6.709 ( -6.809 -0.523 -8.537) 10.933 6.824 ( 2.489 -8.321 -6.063) 10.592 7.042 ( 7.325 5.607 -7.471) 11.870 7.207 ( 6.742 -8.975 -8.103) 13.845 7.627 ( -4.297 5.264 -4.492) 8.146 7.707 ( -3.163 -3.046 -8.076) 9.193 7.999 ( -11.633 -1.748 -2.301) 11.986 8.024 ( -9.864 -3.491 -0.200) 10.465 8.508 ( -7.457 3.689 -0.085) 8.320 8.603 ( -9.023 -5.129 -0.720) 10.404 9.555 ( 12.353 7.515 1.218) 14.511 9.650 ( 9.700 -1.880 -2.062) 10.093 9.886 ( 12.094 5.030 -8.571) 15.654 9.973 ( 16.481 -1.861 -9.679) 19.203 10.645 ( -2.600 5.232 14.378) 15.520 10.828 ( 2.820 -12.453 13.526) 18.600 10.963 ( -15.515 -0.118 6.458) 16.805 10.995 ( -13.348 -3.428 7.713) 15.793 12.075 ( 6.930 19.700 7.893) 22.325 12.370 ( 10.072 -7.721 0.121) 12.691 12.609 ( 1.686 5.526 0.772) 5.828 12.737 ( 0.385 2.538 -1.375) 2.912 12.743 ( 11.160 3.504 -8.723) 14.591 12.937 ( 3.794 -6.437 0.378) 7.482 13.587 ( 9.925 4.644 -10.318) 15.052 13.688 ( 5.748 -5.709 -12.051) 14.521 13.858 ( -0.362 7.301 -0.216) 7.313 14.061 ( -3.453 -11.067 3.355) 12.069 14.985 ( 2.731 14.310 5.187) 15.464 15.190 ( 8.926 -1.548 8.543) 12.453 15.581 ( -3.504 -11.609 -6.398) 13.710 15.622 ( -4.503 -9.850 -15.879) 19.221 16.243 ( 2.804 5.680 -1.139) 6.436 16.344 ( 3.075 -4.199 -3.622) 6.341 16.679 ( 5.015 5.604 -6.769) 10.118 16.844 ( 4.702 -10.171 -8.896) 14.307 17.425 ( -9.300 0.223 11.949) 15.144 17.457 ( -7.904 -2.753 11.094) 13.897 19.138 ( 0.401 3.482 3.665) 5.071 19.190 ( 0.358 -1.762 1.811) 2.552 19.552 ( -3.019 5.732 -1.305) 6.609 19.615 ( -3.705 -0.905 -1.929) 4.274 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 4.110 0.466 6.143) 7.406 2.209 ( 2.868 -2.820 5.924) 7.160 2.432 ( -5.328 1.258 2.431) 5.990 2.517 ( -3.481 -6.994 -0.089) 7.813 2.726 ( 4.455 7.288 1.785) 8.726 2.803 ( 1.451 3.546 -8.763) 9.564 3.020 ( -0.827 -2.050 1.198) 2.514 3.118 ( -3.995 -8.041 -3.223) 9.540 3.522 ( 1.235 0.276 -6.315) 6.441 3.542 ( 0.748 -2.320 -3.801) 4.515 3.830 ( -4.506 0.903 -2.749) 5.355 3.874 ( -4.906 -3.689 -4.694) 7.728 5.154 ( 4.408 2.861 0.873) 5.327 5.191 ( 3.091 -1.308 0.083) 3.357 5.945 ( -11.231 14.676 -7.823) 20.067 6.072 ( -2.398 9.404 -1.995) 9.907 6.354 ( -3.633 5.999 0.196) 7.016 6.609 ( 9.185 -8.861 11.938) 17.476 6.750 ( 8.062 6.192 4.860) 11.267 6.845 ( -0.699 -2.590 -8.063) 8.498 7.197 ( 7.285 1.923 -4.277) 8.664 7.333 ( 5.345 -7.856 -4.681) 10.592 7.571 ( -3.086 6.698 2.670) 7.843 7.698 ( 3.827 -4.642 -0.621) 6.049 7.828 ( -4.938 -2.636 -1.175) 5.720 7.878 ( -3.882 -8.552 2.764) 9.790 8.322 ( -10.697 4.076 2.940) 11.818 8.411 ( -10.163 -4.323 2.418) 11.306 9.765 ( 9.793 4.758 1.753) 11.028 9.829 ( 8.839 -0.935 -0.323) 8.894 10.126 ( 9.755 12.106 -1.800) 15.651 10.277 ( 12.262 3.881 -6.470) 14.397 10.502 ( -11.147 2.287 9.434) 14.781 10.644 ( -13.694 -2.715 4.152) 14.565 10.809 ( -4.958 -6.205 5.640) 9.741 10.876 ( 0.040 -14.710 7.958) 16.724 12.242 ( 9.209 22.336 9.511) 25.965 12.574 ( -0.336 12.522 0.508) 12.537 12.612 ( 11.517 -11.586 2.857) 16.585 12.758 ( 2.116 -1.231 -1.261) 2.753 12.908 ( 5.041 1.068 -10.623) 11.807 13.011 ( 1.593 -3.979 -4.759) 6.405 13.597 ( -10.747 -3.307 -9.583) 14.774 13.623 ( -10.766 -7.246 -2.379) 13.194 14.034 ( 19.287 11.262 -5.799) 23.075 14.245 ( 19.135 -8.822 -5.277) 21.722 15.022 ( -1.497 19.065 -3.247) 19.398 15.417 ( 5.950 -13.259 2.273) 14.709 15.432 ( -2.468 1.544 -4.468) 5.332 15.659 ( 8.148 -16.246 6.268) 19.225 16.248 ( -3.158 5.898 2.601) 7.178 16.351 ( -3.240 -4.513 0.040) 5.556 16.786 ( 5.310 5.920 -4.442) 9.109 16.925 ( 3.145 -7.340 -5.817) 9.879 17.224 ( -9.724 -1.025 9.649) 13.737 17.278 ( -9.125 -5.688 7.755) 13.258 19.175 ( 3.345 3.923 -0.105) 5.156 19.219 ( 2.557 -0.466 -1.298) 2.905 19.478 ( -4.308 4.887 -2.742) 7.069 19.523 ( -5.381 0.081 -2.948) 6.137 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 2.676 2.675 3.205) 4.958 2.278 ( 0.479 2.256 1.738) 2.888 2.355 ( 0.289 -5.270 5.887) 7.906 2.430 ( -4.753 -8.588 2.659) 10.169 2.818 ( 3.762 8.211 -1.772) 9.204 2.844 ( 1.290 8.316 -5.773) 10.205 3.016 ( 0.360 -7.735 -1.707) 7.929 3.048 ( -2.825 -8.113 -3.436) 9.253 3.554 ( 2.448 2.378 -0.951) 3.543 3.578 ( 2.469 2.295 -1.512) 3.694 3.709 ( -4.595 -3.650 0.550) 5.894 3.757 ( -6.541 -6.553 -0.607) 9.279 5.348 ( 13.356 3.329 -8.414) 16.133 5.384 ( 15.127 -0.582 -9.319) 17.777 5.665 ( -15.202 6.389 -12.095) 20.450 5.772 ( -19.870 -5.000 -13.558) 24.569 6.478 ( 9.955 24.173 4.483) 26.524 6.655 ( -5.768 16.407 2.924) 17.636 6.852 ( 2.960 -10.252 3.838) 11.339 6.874 ( 2.470 -3.250 6.579) 7.743 7.328 ( 6.009 3.064 -2.497) 7.192 7.437 ( -0.719 1.171 -1.938) 2.376 7.498 ( 2.890 -5.547 -1.460) 6.422 7.655 ( -7.822 -12.871 -3.254) 15.408 7.902 ( 7.774 -1.419 6.892) 10.485 7.936 ( 10.271 -1.987 5.580) 11.857 8.100 ( -10.461 3.493 6.300) 12.702 8.188 ( -11.945 -4.595 4.579) 13.592 9.973 ( 10.866 4.092 3.077) 12.011 10.020 ( 10.304 0.649 2.098) 10.535 10.177 ( -6.708 7.625 4.323) 11.037 10.250 ( -12.128 3.680 4.450) 13.433 10.438 ( 3.757 8.704 -2.949) 9.929 10.489 ( -1.277 8.386 -0.703) 8.512 10.770 ( 1.344 -15.928 4.802) 16.690 10.837 ( -3.639 -18.796 5.310) 19.868 12.420 ( 7.647 23.618 9.471) 26.570 12.529 ( -3.321 19.847 5.200) 20.784 12.816 ( 4.068 -8.919 -2.034) 10.012 12.863 ( 4.361 -18.241 2.193) 18.883 12.964 ( 7.085 9.458 -6.573) 13.522 13.072 ( 4.446 -0.811 -11.171) 12.051 13.332 ( -12.220 -8.147 -2.865) 14.964 13.370 ( -12.177 -11.954 -7.811) 18.766 14.444 ( 18.520 17.725 -9.195) 27.234 14.612 ( 9.799 10.882 -11.576) 18.667 14.941 ( -0.762 -6.200 -7.514) 9.771 15.162 ( -15.060 -19.103 -12.088) 27.163 15.755 ( 17.549 6.282 13.076) 22.769 15.901 ( 13.609 -8.949 10.221) 19.229 16.090 ( -11.960 3.961 9.036) 15.504 16.195 ( -11.864 -6.285 6.424) 14.884 16.891 ( 5.082 5.113 -1.173) 7.304 16.964 ( -0.313 0.950 -2.258) 2.470 17.077 ( -3.233 -7.102 4.874) 9.200 17.122 ( -5.811 -8.247 3.175) 10.576 19.268 ( 5.547 3.641 -3.000) 7.282 19.291 ( 4.449 1.364 -3.309) 5.710 19.382 ( -5.039 3.469 -3.709) 7.154 19.404 ( -6.074 1.088 -3.399) 7.045 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 0.000 0.000 20.934) 20.934 2.051 ( 0.000 0.000 18.154) 18.154 2.516 ( 0.000 0.000 1.142) 1.142 2.648 ( 0.000 0.000 -15.697) 15.697 2.736 ( 0.000 0.000 -14.910) 14.910 2.843 ( 0.000 0.000 5.972) 5.972 2.948 ( 0.000 0.000 -15.527) 15.527 3.077 ( 0.000 0.000 -7.173) 7.173 3.427 ( 0.000 0.000 7.805) 7.805 3.666 ( 0.000 0.000 -1.230) 1.230 4.067 ( 0.000 0.000 19.488) 19.488 4.568 ( 0.000 0.000 -8.777) 8.777 4.679 ( 0.000 0.000 3.197) 3.197 4.897 ( 0.000 0.000 -6.345) 6.345 5.769 ( 0.000 0.000 18.758) 18.758 5.883 ( 0.000 0.000 24.109) 24.109 6.365 ( 0.000 0.000 -6.925) 6.925 6.591 ( 0.000 0.000 15.673) 15.673 6.632 ( 0.000 0.000 14.336) 14.336 7.173 ( 0.000 0.000 -14.497) 14.497 7.209 ( 0.000 0.000 -33.490) 33.490 7.220 ( 0.000 0.000 -9.743) 9.743 7.250 ( 0.000 0.000 -0.055) 0.055 7.430 ( 0.000 0.000 -7.338) 7.338 8.064 ( 0.000 0.000 -4.812) 4.812 8.069 ( 0.000 0.000 -6.203) 6.203 8.775 ( 0.000 0.000 14.343) 14.343 9.122 ( 0.000 0.000 -1.395) 1.395 9.177 ( 0.000 0.000 -3.771) 3.771 9.235 ( 0.000 0.000 -9.153) 9.153 9.579 ( 0.000 0.000 -3.624) 3.624 9.603 ( 0.000 0.000 -3.610) 3.610 10.716 ( 0.000 0.000 10.182) 10.182 11.099 ( 0.000 0.000 -8.942) 8.942 11.421 ( 0.000 0.000 10.979) 10.979 11.530 ( 0.000 0.000 1.208) 1.208 11.732 ( 0.000 0.000 6.803) 6.803 11.811 ( 0.000 0.000 6.242) 6.242 11.999 ( 0.000 0.000 8.148) 8.148 12.408 ( 0.000 0.000 -0.976) 0.976 12.454 ( 0.000 0.000 6.982) 6.982 12.876 ( 0.000 0.000 -13.806) 13.806 13.539 ( 0.000 0.000 10.216) 10.216 13.645 ( 0.000 0.000 -4.491) 4.491 13.768 ( 0.000 0.000 19.368) 19.368 14.036 ( 0.000 0.000 -16.498) 16.498 14.417 ( 0.000 0.000 -10.186) 10.186 15.170 ( 0.000 0.000 -23.956) 23.956 15.239 ( 0.000 0.000 12.303) 12.303 15.977 ( 0.000 0.000 -21.588) 21.588 16.621 ( 0.000 0.000 1.813) 1.813 16.714 ( 0.000 0.000 -2.721) 2.721 16.843 ( 0.000 0.000 5.396) 5.396 16.861 ( 0.000 0.000 3.944) 3.944 17.692 ( 0.000 0.000 3.550) 3.550 17.717 ( 0.000 0.000 3.979) 3.979 19.153 ( 0.000 0.000 2.169) 2.169 19.275 ( 0.000 0.000 -3.655) 3.655 19.364 ( 0.000 0.000 9.295) 9.295 19.590 ( 0.000 0.000 -2.978) 2.978 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.322 0.000 16.543) 16.705 2.116 ( 5.809 0.000 15.822) 16.855 2.488 ( -1.675 0.000 -3.499) 3.879 2.640 ( -1.818 0.000 -13.538) 13.660 2.822 ( 6.476 0.000 -9.493) 11.491 2.843 ( 0.830 0.000 4.435) 4.512 3.013 ( 5.389 0.000 -12.328) 13.455 3.042 ( -3.061 0.000 -6.517) 7.200 3.433 ( 1.351 0.000 6.111) 6.259 3.618 ( -4.283 0.000 -0.476) 4.309 4.090 ( 2.789 0.000 17.337) 17.560 4.511 ( -5.130 0.000 -7.481) 9.071 4.677 ( -0.328 0.000 3.234) 3.251 4.887 ( -1.071 0.000 -5.806) 5.904 5.659 ( -8.563 0.000 18.981) 20.823 5.800 ( -7.588 0.000 23.690) 24.876 6.356 ( -2.511 0.000 -13.957) 14.181 6.632 ( 3.855 0.000 14.688) 15.186 6.732 ( 9.243 0.000 15.732) 18.247 7.003 ( -14.728 0.000 -26.300) 30.143 7.150 ( 0.671 0.000 -11.894) 11.913 7.204 ( -1.254 0.000 -7.231) 7.339 7.398 ( 10.763 0.000 -3.706) 11.383 7.595 ( 10.349 0.000 -10.745) 14.918 7.878 ( -11.172 0.000 0.874) 11.207 8.093 ( -3.323 0.000 -8.838) 9.442 8.886 ( 9.944 0.000 12.750) 16.169 9.027 ( -7.414 0.000 1.082) 7.492 9.117 ( -7.101 0.000 -3.846) 8.076 9.307 ( 6.340 0.000 -8.502) 10.606 9.572 ( 0.022 0.000 -2.579) 2.579 9.655 ( 5.283 0.000 -5.773) 7.825 10.775 ( 5.151 0.000 10.230) 11.453 11.181 ( 4.897 0.000 -10.357) 11.456 11.456 ( 3.621 0.000 12.462) 12.977 11.545 ( -11.700 0.000 9.054) 14.794 11.644 ( 10.433 0.000 1.154) 10.497 11.708 ( -8.803 0.000 2.829) 9.247 11.997 ( 0.158 0.000 5.741) 5.743 12.370 ( -3.498 0.000 -0.390) 3.520 12.689 ( 18.647 0.000 6.455) 19.733 13.037 ( 13.281 0.000 -10.410) 16.875 13.531 ( -0.297 0.000 8.170) 8.175 13.588 ( -4.898 0.000 -4.120) 6.400 13.867 ( 7.400 0.000 8.732) 11.446 14.012 ( -2.402 0.000 -17.457) 17.621 14.362 ( -3.255 0.000 0.262) 3.266 15.257 ( 2.032 0.000 14.285) 14.429 15.261 ( 7.783 0.000 -24.135) 25.359 16.024 ( 4.595 0.000 -21.145) 21.639 16.646 ( 2.407 0.000 1.881) 3.055 16.734 ( 1.989 0.000 -2.401) 3.118 16.741 ( -5.860 0.000 8.849) 10.613 16.937 ( 3.102 0.000 -1.027) 3.268 17.693 ( -0.050 0.000 3.825) 3.825 17.701 ( -1.359 0.000 4.633) 4.828 19.117 ( -3.488 0.000 1.366) 3.746 19.219 ( -5.340 0.000 -3.415) 6.338 19.331 ( -3.176 0.000 8.864) 9.416 19.555 ( -3.390 0.000 -3.205) 4.665 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 3.433 0.000 8.567) 9.229 2.236 ( 4.307 0.000 8.949) 9.932 2.468 ( -0.405 0.000 -7.723) 7.734 2.549 ( -6.818 0.000 -8.369) 10.795 2.884 ( 2.106 0.000 1.517) 2.595 2.911 ( 1.500 0.000 -0.707) 1.659 2.998 ( 0.600 0.000 -3.572) 3.622 3.113 ( 3.254 0.000 -7.720) 8.378 3.495 ( 3.410 0.000 0.204) 3.416 3.525 ( -3.911 0.000 0.679) 3.969 4.215 ( 10.660 0.000 11.432) 15.630 4.405 ( -3.640 0.000 -2.933) 4.675 4.662 ( -1.091 0.000 3.187) 3.369 4.853 ( -2.355 0.000 -4.613) 5.179 5.510 ( -4.989 0.000 15.788) 16.558 5.608 ( -10.865 0.000 21.171) 23.796 6.238 ( -9.016 0.000 -19.530) 21.511 6.647 ( -16.333 0.000 -19.930) 25.768 6.759 ( 4.324 0.000 8.413) 9.459 6.953 ( 11.490 0.000 12.341) 16.862 7.188 ( 0.101 0.000 -1.417) 1.421 7.199 ( 3.389 0.000 -10.194) 10.742 7.624 ( 10.786 0.000 -2.546) 11.082 7.649 ( -11.086 0.000 5.177) 12.235 7.783 ( 8.029 0.000 -8.479) 11.677 7.974 ( -7.551 0.000 -8.664) 11.493 8.863 ( -8.326 0.000 2.129) 8.594 8.922 ( -10.868 0.000 -1.712) 11.002 9.122 ( 12.383 0.000 10.120) 15.992 9.451 ( 7.052 0.000 -6.331) 9.477 9.612 ( 4.285 0.000 0.157) 4.287 9.793 ( 7.572 0.000 -7.925) 10.961 10.857 ( 0.635 0.000 7.007) 7.036 11.105 ( -11.779 0.000 -3.316) 12.237 11.419 ( -1.541 0.000 7.185) 7.348 11.550 ( 4.993 0.000 15.739) 16.512 11.636 ( 3.865 0.000 -1.010) 3.995 11.916 ( 15.494 0.000 0.330) 15.497 12.016 ( 1.372 0.000 1.720) 2.201 12.300 ( -1.685 0.000 -0.182) 1.695 13.047 ( 13.847 0.000 5.696) 14.972 13.320 ( 14.025 0.000 -4.122) 14.618 13.461 ( -7.384 0.000 -4.043) 8.419 13.562 ( 4.192 0.000 0.416) 4.212 13.901 ( -6.513 0.000 -17.440) 18.616 13.938 ( -4.962 0.000 -19.793) 20.405 14.448 ( 13.798 0.000 24.726) 28.315 15.339 ( 6.744 0.000 19.045) 20.203 15.425 ( 7.231 0.000 -21.885) 23.048 16.158 ( 8.607 0.000 -19.397) 21.221 16.612 ( -7.132 0.000 11.176) 13.258 16.714 ( 4.167 0.000 2.196) 4.710 16.793 ( 3.705 0.000 -1.656) 4.058 16.972 ( 0.266 0.000 -6.463) 6.469 17.663 ( -1.866 0.000 6.642) 6.899 17.697 ( 0.055 0.000 3.493) 3.493 19.023 ( -5.526 0.000 -0.734) 5.574 19.079 ( -7.925 0.000 -3.235) 8.559 19.246 ( -4.958 0.000 7.382) 8.892 19.457 ( -6.148 0.000 -3.707) 7.179 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 4.494 0.000 1.599) 4.770 2.240 ( -3.200 0.000 0.715) 3.279 2.388 ( -8.725 0.000 -6.878) 11.109 2.456 ( -1.342 0.000 -10.075) 10.164 2.916 ( 0.285 0.000 4.611) 4.620 2.948 ( 5.341 0.000 4.771) 7.162 3.066 ( 4.186 0.000 -0.529) 4.220 3.113 ( -2.845 0.000 -3.320) 4.372 3.452 ( -2.747 0.000 -0.588) 2.810 3.519 ( -2.365 0.000 -3.171) 3.956 4.428 ( 7.234 0.000 4.785) 8.673 4.537 ( 19.388 0.000 4.875) 19.992 4.646 ( -0.148 0.000 1.945) 1.951 4.795 ( -3.304 0.000 -3.528) 4.834 5.379 ( -11.105 0.000 14.620) 18.359 5.477 ( 1.701 0.000 8.737) 8.901 6.015 ( -12.380 0.000 -17.840) 21.715 6.228 ( -23.395 0.000 -21.711) 31.916 6.916 ( 9.223 0.000 10.625) 14.070 7.134 ( 4.453 0.000 7.786) 8.969 7.248 ( 7.430 0.000 1.526) 7.585 7.255 ( 1.442 0.000 -6.437) 6.596 7.444 ( -8.817 0.000 7.720) 11.719 7.809 ( 7.437 0.000 -2.017) 7.706 7.810 ( -8.455 0.000 -7.438) 11.262 7.914 ( 4.790 0.000 -6.547) 8.112 8.704 ( -7.403 0.000 2.592) 7.843 8.726 ( -7.579 0.000 0.345) 7.587 9.355 ( 10.338 0.000 7.644) 12.857 9.566 ( 3.892 0.000 -2.898) 4.853 9.743 ( 8.348 0.000 1.742) 8.528 9.937 ( 6.202 0.000 -7.121) 9.443 10.769 ( -7.667 0.000 2.360) 8.022 10.842 ( -12.662 0.000 -0.665) 12.679 11.482 ( 6.919 0.000 10.148) 12.283 11.641 ( 4.155 0.000 14.976) 15.542 11.737 ( 3.528 0.000 -0.520) 3.566 11.974 ( -5.091 0.000 1.165) 5.223 12.242 ( 14.939 0.000 4.382) 15.568 12.385 ( 9.831 0.000 -4.155) 10.673 13.222 ( 5.901 0.000 3.742) 6.987 13.307 ( -7.212 0.000 -4.439) 8.469 13.581 ( 9.720 0.000 -1.867) 9.898 13.669 ( 4.237 0.000 -6.112) 7.437 13.681 ( -13.511 0.000 -17.231) 21.896 13.825 ( -4.769 0.000 -20.490) 21.038 14.815 ( 19.994 0.000 18.975) 27.565 15.512 ( 0.723 0.000 -15.181) 15.198 15.546 ( 13.669 0.000 21.996) 25.898 16.363 ( 11.412 0.000 -16.643) 20.180 16.439 ( -10.425 0.000 13.529) 17.080 16.807 ( 4.795 0.000 2.641) 5.474 16.872 ( 3.696 0.000 -0.444) 3.722 16.939 ( -3.789 0.000 -10.250) 10.928 17.637 ( -0.396 0.000 7.310) 7.320 17.694 ( -0.437 0.000 3.811) 3.836 18.908 ( -5.474 0.000 -3.267) 6.375 18.926 ( -6.639 0.000 -3.786) 7.642 19.151 ( -3.773 0.000 4.460) 5.842 19.318 ( -7.298 0.000 -3.897) 8.273 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -1.003 0.000 -3.176) 3.330 2.231 ( -5.803 0.000 -5.492) 7.990 2.305 ( 5.138 0.000 -4.373) 6.747 2.401 ( -4.043 0.000 -8.862) 9.741 2.951 ( 3.173 0.000 3.973) 5.084 3.032 ( -4.500 0.000 0.636) 4.545 3.065 ( 4.980 0.000 4.752) 6.884 3.116 ( 0.175 0.000 2.344) 2.351 3.416 ( -0.480 0.000 -1.720) 1.785 3.446 ( -3.358 0.000 -2.885) 4.427 4.647 ( 12.828 0.000 11.552) 17.263 4.666 ( 2.135 0.000 -0.431) 2.178 4.725 ( -3.447 0.000 -2.346) 4.169 4.831 ( 1.034 0.000 12.992) 13.033 5.296 ( 10.751 0.000 -6.628) 12.630 5.572 ( 7.510 0.000 -0.400) 7.521 5.727 ( -25.484 0.000 -17.302) 30.802 5.768 ( -11.517 0.000 -10.249) 15.417 7.103 ( 8.598 0.000 6.190) 10.595 7.193 ( 3.058 0.000 6.814) 7.469 7.234 ( -3.860 0.000 -0.286) 3.871 7.280 ( -5.599 0.000 5.198) 7.640 7.450 ( 9.312 0.000 1.507) 9.433 7.635 ( -8.910 0.000 -4.238) 9.866 7.924 ( 3.954 0.000 -3.119) 5.036 7.965 ( 0.125 0.000 -5.412) 5.413 8.599 ( -2.169 0.000 3.140) 3.816 8.617 ( -3.460 0.000 1.862) 3.929 9.524 ( 6.138 0.000 4.677) 7.717 9.596 ( -0.993 0.000 1.027) 1.428 9.920 ( 8.080 0.000 0.354) 8.088 10.011 ( 0.038 0.000 -3.898) 3.898 10.626 ( -4.556 0.000 0.574) 4.592 10.643 ( -6.073 0.000 -0.042) 6.074 11.636 ( 7.196 0.000 8.825) 11.387 11.732 ( 5.114 0.000 10.524) 11.701 11.743 ( -2.890 0.000 4.726) 5.539 11.849 ( -6.424 0.000 5.681) 8.576 12.496 ( 9.706 0.000 3.216) 10.225 12.569 ( 4.248 0.000 -1.248) 4.427 13.229 ( 1.776 0.000 -8.567) 8.750 13.360 ( 8.315 0.000 -3.579) 9.052 13.401 ( -13.135 0.000 -13.701) 18.980 13.545 ( -8.982 0.000 -8.056) 12.065 13.773 ( 4.552 0.000 -7.728) 8.969 13.810 ( 0.497 0.000 -10.226) 10.238 15.190 ( 16.172 0.000 7.180) 17.694 15.438 ( -8.125 0.000 -4.897) 9.486 15.863 ( 16.781 0.000 20.324) 26.357 16.186 ( -14.613 0.000 16.626) 22.135 16.602 ( 11.734 0.000 -13.852) 18.155 16.813 ( -8.696 0.000 -12.216) 14.995 16.892 ( 3.208 0.000 2.644) 4.157 16.920 ( 0.626 0.000 1.407) 1.540 17.648 ( 1.262 0.000 6.507) 6.628 17.676 ( -1.265 0.000 4.993) 5.151 18.824 ( -2.213 0.000 -4.861) 5.341 18.830 ( -2.723 0.000 -4.914) 5.619 19.117 ( 0.740 0.000 0.451) 0.867 19.183 ( -5.518 0.000 -2.744) 6.162 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 0.000 -3.212 13.996) 14.360 2.090 ( 0.000 4.143 15.204) 15.758 2.478 ( 0.000 -0.084 -1.109) 1.112 2.684 ( 0.000 0.621 -6.978) 7.005 2.753 ( 0.000 1.926 -11.805) 11.961 2.886 ( 0.000 4.155 5.690) 7.045 3.011 ( 0.000 6.306 -14.170) 15.509 3.088 ( 0.000 -0.527 -5.172) 5.199 3.347 ( 0.000 -7.079 4.064) 8.163 3.558 ( 0.000 -9.706 -4.030) 10.509 3.970 ( 0.000 -9.077 14.476) 17.086 4.415 ( 0.000 -11.826 -9.403) 15.109 4.873 ( 0.000 18.439 6.770) 19.643 5.134 ( 0.000 19.775 -5.443) 20.510 5.831 ( 0.000 6.182 19.362) 20.325 5.888 ( 0.000 1.195 24.927) 24.955 6.397 ( 0.000 2.719 -3.376) 4.334 6.561 ( 0.000 -2.946 15.185) 15.468 6.611 ( 0.000 -1.876 11.690) 11.839 7.085 ( 0.000 -5.932 -10.946) 12.450 7.179 ( 0.000 -7.200 0.787) 7.243 7.226 ( 0.000 1.442 -32.723) 32.755 7.265 ( 0.000 -0.732 -14.710) 14.728 7.398 ( 0.000 -1.674 -7.586) 7.769 8.157 ( 0.000 9.057 -4.080) 9.933 8.182 ( 0.000 10.905 -6.191) 12.539 8.710 ( 0.000 -6.034 11.538) 13.020 8.951 ( 0.000 -13.260 -2.925) 13.579 9.144 ( 0.000 -3.428 -2.544) 4.269 9.260 ( 0.000 -1.332 -6.680) 6.811 9.566 ( 0.000 -1.199 -3.864) 4.046 9.585 ( 0.000 -1.633 -3.877) 4.207 10.746 ( 0.000 3.021 10.743) 11.159 11.061 ( 0.000 -2.754 -3.314) 4.309 11.522 ( 0.000 9.714 11.328) 14.923 11.678 ( 0.000 13.552 -3.034) 13.888 11.727 ( 0.000 -0.064 6.188) 6.188 11.787 ( 0.000 -2.360 6.281) 6.709 12.016 ( 0.000 1.852 7.653) 7.874 12.381 ( 0.000 -1.827 2.926) 3.449 12.556 ( 0.000 8.685 0.357) 8.692 12.884 ( 0.000 0.796 -13.662) 13.686 13.441 ( 0.000 -6.953 1.716) 7.161 13.588 ( 0.000 -12.679 5.924) 13.994 13.731 ( 0.000 5.873 6.019) 8.410 14.242 ( 0.000 14.523 2.532) 14.742 14.460 ( 0.000 4.716 -15.985) 16.666 15.183 ( 0.000 -0.398 -8.651) 8.660 15.254 ( 0.000 3.346 -2.594) 4.234 15.960 ( 0.000 -1.599 -21.393) 21.453 16.420 ( 0.000 -18.950 2.610) 19.129 16.465 ( 0.000 -18.182 2.281) 18.324 16.810 ( 0.000 -5.130 3.448) 6.181 16.890 ( 0.000 -1.450 -2.101) 2.553 17.724 ( 0.000 2.876 5.086) 5.843 17.754 ( 0.000 2.793 4.670) 5.441 19.186 ( 0.000 2.739 2.392) 3.637 19.277 ( 0.000 0.137 -2.404) 2.408 19.405 ( 0.000 4.299 7.782) 8.891 19.612 ( 0.000 2.074 -2.929) 3.589 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 4.733 -2.688 10.443) 11.776 2.110 ( 2.540 2.677 13.470) 13.966 2.458 ( -1.402 -0.254 -4.652) 4.866 2.662 ( -1.788 0.041 -7.918) 8.118 2.832 ( 5.795 0.953 -4.830) 7.603 2.851 ( -2.374 1.536 4.999) 5.743 3.055 ( -0.695 2.340 -6.203) 6.666 3.114 ( 5.398 6.734 -10.506) 13.596 3.358 ( 1.896 -6.654 2.063) 7.220 3.512 ( -3.785 -9.681 -2.847) 10.777 3.978 ( 1.207 -10.018 12.479) 16.048 4.356 ( -5.355 -11.823 -8.179) 15.341 4.883 ( 0.622 18.965 6.705) 20.124 5.126 ( -0.753 20.080 -4.816) 20.663 5.710 ( -9.346 5.000 18.479) 21.303 5.804 ( -7.520 0.927 25.116) 26.234 6.396 ( -2.187 3.895 -13.119) 13.858 6.589 ( 2.949 -3.464 14.384) 15.087 6.710 ( 8.528 -2.333 13.264) 15.941 6.992 ( -14.441 -1.835 -22.280) 26.614 7.098 ( 2.939 -3.915 -8.045) 9.418 7.268 ( 0.675 3.611 -11.566) 12.136 7.316 ( 8.395 -7.496 -3.487) 11.782 7.549 ( 8.672 -3.357 -10.892) 14.322 8.001 ( -9.691 10.823 -0.153) 14.528 8.150 ( -5.208 5.008 -6.876) 9.974 8.813 ( 5.938 -6.098 5.420) 10.091 8.881 ( -5.576 -12.490 -0.044) 13.678 9.134 ( 0.203 1.382 1.085) 1.769 9.348 ( 7.546 1.951 -6.640) 10.239 9.575 ( 1.208 0.166 -3.419) 3.629 9.639 ( 5.396 -1.508 -5.675) 7.974 10.790 ( 3.850 1.677 10.702) 11.497 11.131 ( 4.785 -4.058 -4.980) 8.010 11.513 ( -13.034 -2.020 8.367) 15.620 11.555 ( 2.468 9.199 13.499) 16.521 11.650 ( -9.766 -2.968 2.391) 10.483 11.794 ( 8.808 11.423 -2.353) 14.615 12.064 ( 3.461 5.962 4.511) 8.238 12.432 ( -2.976 5.817 -2.816) 7.115 12.680 ( 16.090 -0.650 7.012) 17.564 13.033 ( 12.276 -0.332 -10.315) 16.038 13.419 ( -1.400 -7.394 0.876) 7.576 13.596 ( -0.787 -7.643 -0.393) 7.694 13.759 ( 2.619 1.436 1.796) 3.485 14.259 ( 0.966 16.878 -2.039) 17.028 14.384 ( -4.843 1.958 -3.301) 6.179 15.233 ( 3.621 -1.203 6.716) 7.724 15.318 ( 6.550 4.555 -16.392) 18.230 16.008 ( 4.693 -1.577 -20.881) 21.460 16.443 ( 2.204 -18.981 3.000) 19.343 16.470 ( 0.380 -17.322 3.291) 17.636 16.773 ( -2.420 -3.379 3.300) 5.307 16.927 ( 2.447 -2.855 -4.067) 5.539 17.718 ( -0.675 2.054 4.901) 5.357 17.729 ( -2.347 2.018 5.391) 6.217 19.152 ( -3.140 2.980 1.701) 4.651 19.223 ( -4.982 0.736 -1.995) 5.417 19.379 ( -2.641 4.664 7.004) 8.820 19.579 ( -3.190 2.273 -3.117) 5.006 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 2.894 0.837 3.671) 4.749 2.217 ( 5.604 -1.577 8.440) 10.253 2.429 ( -1.861 -0.145 -8.125) 8.336 2.607 ( -3.689 2.006 -4.802) 6.379 2.811 ( -1.120 -3.655 6.734) 7.743 2.920 ( 2.827 -3.266 2.284) 4.886 3.018 ( -2.351 4.450 -6.019) 7.846 3.198 ( 1.466 4.975 -6.986) 8.701 3.441 ( 3.843 -4.618 -2.742) 6.604 3.453 ( -0.053 -6.058 -1.698) 6.291 4.048 ( 6.547 -13.242 7.074) 16.378 4.236 ( -5.076 -12.352 -4.446) 14.075 4.888 ( 0.095 18.757 6.827) 19.961 5.105 ( -1.311 20.604 -3.744) 20.982 5.551 ( -5.707 4.271 15.308) 16.886 5.616 ( -9.841 1.419 21.564) 23.746 6.280 ( -9.100 4.207 -19.681) 22.088 6.598 ( -13.138 -3.930 -14.758) 20.146 6.736 ( 2.563 -1.798 5.842) 6.628 6.911 ( 7.905 -3.658 6.949) 11.143 7.196 ( 5.145 -0.044 -2.458) 5.702 7.288 ( 2.981 6.837 -4.816) 8.878 7.495 ( 6.177 -9.021 0.114) 10.934 7.640 ( -0.454 -2.430 -5.334) 5.879 7.878 ( -0.475 8.404 -1.352) 8.525 8.032 ( -4.781 3.848 -5.951) 8.549 8.749 ( -6.863 -9.965 1.585) 12.202 8.793 ( -7.134 -9.967 -1.409) 12.337 9.256 ( 10.704 10.684 7.854) 17.041 9.514 ( 8.170 4.692 -4.021) 10.243 9.629 ( 4.271 2.240 -2.246) 5.320 9.782 ( 7.978 -0.882 -7.767) 11.169 10.846 ( -0.478 -0.940 7.628) 7.701 11.067 ( -12.197 -3.162 -2.112) 12.776 11.347 ( -3.554 -6.148 8.270) 10.900 11.518 ( 2.821 -8.796 2.074) 9.467 11.669 ( 5.748 10.203 14.329) 18.506 12.034 ( 14.043 9.903 -1.821) 17.280 12.138 ( 3.123 10.861 -1.641) 11.420 12.343 ( -3.243 4.628 -0.464) 5.670 12.999 ( 11.313 -4.964 5.608) 13.567 13.280 ( 9.836 -3.180 -2.749) 10.697 13.426 ( 3.573 -3.166 -4.789) 6.762 13.568 ( -0.359 -3.143 -3.877) 5.004 13.776 ( -1.609 -1.616 -11.840) 12.058 14.131 ( -11.170 10.178 -18.934) 24.225 14.497 ( 14.031 5.308 24.067) 28.360 15.334 ( 6.959 -0.134 14.101) 15.725 15.466 ( 6.705 3.243 -17.417) 18.942 16.146 ( 8.824 -1.405 -19.150) 21.131 16.463 ( -1.353 -13.318 7.540) 15.364 16.513 ( 4.326 -18.739 2.594) 19.406 16.736 ( -0.954 -4.189 1.706) 4.623 16.965 ( 0.959 -2.650 -7.356) 7.877 17.667 ( -3.511 -0.392 6.657) 7.536 17.694 ( -1.725 -0.569 4.406) 4.765 19.070 ( -4.740 3.481 0.009) 5.880 19.099 ( -6.563 3.092 -2.133) 7.562 19.303 ( -4.608 5.369 5.425) 8.916 19.487 ( -5.839 2.785 -3.547) 7.378 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.148 -0.275 -1.493) 3.495 2.262 ( -1.387 1.217 3.764) 4.192 2.364 ( -3.897 1.333 -9.281) 10.154 2.530 ( -3.796 4.215 -5.947) 8.218 2.822 ( 2.000 -6.571 9.416) 11.655 2.958 ( 0.631 -6.700 3.961) 7.809 3.000 ( 1.612 2.208 -1.834) 3.292 3.186 ( -1.601 2.226 -4.710) 5.450 3.433 ( -0.763 -1.611 -1.239) 2.171 3.497 ( -0.772 -1.237 -4.467) 4.699 4.190 ( 4.151 -17.417 2.835) 18.128 4.250 ( 8.418 -15.965 1.079) 18.081 4.922 ( 4.470 15.718 4.819) 17.037 5.083 ( -0.292 20.205 -3.641) 20.532 5.371 ( -10.581 -0.181 13.244) 16.953 5.554 ( 2.574 8.832 10.318) 13.824 6.038 ( -15.004 1.598 -18.463) 23.844 6.231 ( -19.237 1.676 -19.771) 27.637 6.888 ( 9.082 -1.749 10.027) 13.641 7.046 ( 4.992 -5.283 3.820) 8.211 7.270 ( 3.002 3.715 2.538) 5.409 7.390 ( 4.853 4.903 -0.221) 6.902 7.462 ( -5.281 0.531 2.076) 5.699 7.646 ( -0.793 -3.054 -5.889) 6.681 7.930 ( 4.521 1.950 -2.056) 5.336 8.006 ( 1.722 7.479 -2.582) 8.097 8.606 ( -7.250 -9.446 2.412) 12.149 8.632 ( -7.384 -8.571 0.130) 11.314 9.473 ( 9.813 11.602 6.636) 16.581 9.654 ( 4.885 8.371 -2.108) 9.919 9.751 ( 8.025 1.083 0.604) 8.120 9.935 ( 6.651 -0.009 -6.852) 9.549 10.734 ( -8.985 -3.353 2.325) 9.868 10.788 ( -13.548 -4.680 -0.132) 14.334 11.372 ( 5.245 -9.490 10.236) 14.912 11.607 ( 2.928 -10.308 0.576) 10.731 11.787 ( 5.830 11.677 14.828) 19.753 12.111 ( -5.051 12.247 1.312) 13.313 12.316 ( 12.768 7.066 1.796) 14.703 12.422 ( 10.443 3.746 -5.216) 12.259 13.110 ( 1.987 -8.547 0.508) 8.790 13.322 ( -1.713 -1.184 -0.453) 2.131 13.533 ( -6.477 -6.147 -11.419) 14.496 13.618 ( 10.930 -0.290 -6.416) 12.677 13.779 ( 3.826 4.251 -10.172) 11.670 13.885 ( -12.456 7.875 -14.380) 20.590 14.839 ( 18.310 2.062 17.167) 25.184 15.479 ( 3.317 -2.441 -5.237) 6.663 15.600 ( 10.152 3.802 10.841) 15.331 16.348 ( 9.282 -3.057 -15.116) 18.001 16.387 ( -5.066 -4.601 10.845) 12.824 16.612 ( 5.058 -17.323 2.190) 18.178 16.740 ( 1.205 -8.455 0.194) 8.542 16.953 ( -2.426 -1.387 -8.579) 9.023 17.602 ( -2.606 -4.284 6.792) 8.442 17.648 ( -2.696 -4.672 4.031) 6.734 18.971 ( -4.417 4.616 -2.115) 6.730 18.990 ( -3.979 7.380 -3.403) 9.049 19.209 ( -4.171 5.404 3.190) 7.535 19.353 ( -7.073 3.324 -3.708) 8.650 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -1.550 1.430 -1.327) 2.492 2.215 ( -2.169 0.348 -0.825) 2.347 2.357 ( 3.709 4.560 -8.091) 10.001 2.448 ( -4.511 4.346 -8.966) 10.938 2.873 ( 3.033 -6.690 7.454) 10.465 2.935 ( -2.636 -7.285 5.383) 9.434 3.073 ( 4.324 -0.429 -0.385) 4.362 3.145 ( -2.711 -0.069 -2.085) 3.421 3.426 ( 0.365 1.310 -1.105) 1.753 3.452 ( -2.275 1.042 -2.693) 3.676 4.300 ( 5.765 -19.742 5.854) 21.383 4.361 ( 0.899 -19.272 3.906) 19.684 5.026 ( 3.490 14.565 2.823) 15.241 5.104 ( -2.640 14.695 3.410) 15.314 5.290 ( 10.723 -0.442 -6.467) 12.529 5.641 ( -8.090 0.808 -8.690) 11.900 5.693 ( -4.436 7.209 -5.582) 10.140 5.894 ( -13.631 11.125 -9.789) 20.135 7.052 ( 6.175 -2.726 6.088) 9.090 7.108 ( 0.768 -4.267 3.659) 5.673 7.316 ( 1.199 4.349 4.639) 6.471 7.348 ( -3.139 2.392 5.130) 6.472 7.499 ( 4.353 3.516 -3.283) 6.488 7.588 ( -4.133 0.929 -5.452) 6.905 8.024 ( 3.473 5.078 -1.387) 6.306 8.045 ( 1.129 8.139 -0.707) 8.247 8.494 ( -2.721 -10.589 3.359) 11.438 8.513 ( -4.122 -10.114 1.929) 11.090 9.632 ( 5.708 11.168 4.229) 13.236 9.697 ( -0.580 10.452 0.985) 10.515 9.929 ( 8.389 1.003 0.376) 8.457 10.020 ( 0.552 1.028 -3.675) 3.856 10.563 ( -5.693 -5.971 0.382) 8.259 10.577 ( -6.447 -6.126 -0.232) 8.896 11.498 ( 6.377 -11.219 7.686) 15.020 11.602 ( -3.241 -11.152 3.545) 12.143 11.899 ( 5.203 12.967 11.657) 18.196 12.002 ( -5.236 12.940 6.727) 15.496 12.537 ( 8.805 4.166 1.640) 9.878 12.607 ( 3.916 3.984 -1.647) 5.824 13.147 ( 3.974 -6.965 -7.079) 10.696 13.297 ( -6.837 -6.634 -10.193) 13.952 13.407 ( 2.865 0.156 -6.864) 7.439 13.592 ( -11.682 0.084 -13.081) 17.538 13.821 ( 4.444 6.937 -4.481) 9.379 13.851 ( 1.617 5.933 -6.672) 9.074 15.185 ( 15.106 -1.243 5.521) 16.131 15.421 ( -7.821 -2.722 -5.829) 10.126 15.885 ( 15.766 2.230 19.321) 25.037 16.181 ( -12.839 -0.651 15.521) 20.153 16.569 ( 9.419 -4.944 -11.489) 15.657 16.677 ( -0.270 -14.264 -2.693) 14.518 16.779 ( 2.944 -8.455 0.511) 8.967 16.868 ( -5.379 -1.970 -5.317) 7.816 17.572 ( -0.146 -7.818 5.613) 9.625 17.595 ( -2.218 -8.061 4.386) 9.441 18.918 ( -0.751 8.504 -3.963) 9.412 18.932 ( -1.864 9.457 -4.532) 10.651 19.162 ( 0.129 4.219 0.190) 4.225 19.221 ( -5.381 3.582 -2.647) 6.985 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 2.314 7.794) 8.131 2.169 ( 0.000 4.519 2.313) 5.077 2.581 ( 0.000 3.862 -1.547) 4.160 2.629 ( 0.000 0.341 9.443) 9.449 2.802 ( 0.000 1.690 -0.218) 1.704 2.982 ( 0.000 5.021 4.994) 7.082 2.983 ( 0.000 -9.508 -8.775) 12.938 3.169 ( 0.000 8.283 -11.254) 13.973 3.220 ( 0.000 -4.812 -5.158) 7.054 3.388 ( 0.000 -6.230 -8.372) 10.436 3.754 ( 0.000 -12.291 9.381) 15.462 4.163 ( 0.000 -14.380 -10.181) 17.619 5.318 ( 0.000 26.642 8.553) 27.982 5.563 ( 0.000 23.651 -3.917) 23.973 5.949 ( 0.000 5.380 26.787) 27.322 5.987 ( 0.000 9.347 18.236) 20.492 6.407 ( 0.000 -3.426 12.897) 13.344 6.483 ( 0.000 -5.461 16.561) 17.438 6.611 ( 0.000 3.453 -4.524) 5.691 6.951 ( 0.000 -8.525 -9.707) 12.919 6.969 ( 0.000 -14.091 3.388) 14.493 7.142 ( 0.000 -10.330 -10.100) 14.447 7.271 ( 0.000 2.955 -31.132) 31.272 7.397 ( 0.000 0.190 -16.257) 16.258 8.362 ( 0.000 10.098 -2.440) 10.389 8.432 ( 0.000 13.789 -5.633) 14.896 8.597 ( 0.000 -3.289 5.483) 6.393 8.690 ( 0.000 -12.695 -2.876) 13.017 9.053 ( 0.000 -5.822 -1.414) 5.991 9.167 ( 0.000 -7.727 -4.683) 9.035 9.539 ( 0.000 -1.479 -4.274) 4.522 9.549 ( 0.000 -1.913 -4.337) 4.740 10.824 ( 0.000 4.848 11.726) 12.689 11.020 ( 0.000 -1.596 3.741) 4.067 11.660 ( 0.000 0.896 9.153) 9.197 11.729 ( 0.000 -3.302 6.786) 7.547 11.837 ( 0.000 14.523 7.241) 16.228 11.978 ( 0.000 15.925 -7.474) 17.591 12.070 ( 0.000 3.740 6.861) 7.814 12.339 ( 0.000 -2.617 6.403) 6.917 12.721 ( 0.000 6.491 -6.286) 9.036 12.897 ( 0.000 0.002 -14.040) 14.040 13.318 ( 0.000 -5.260 -4.432) 6.878 13.357 ( 0.000 -10.690 0.698) 10.713 13.847 ( 0.000 6.850 14.823) 16.329 14.408 ( 0.000 0.644 9.154) 9.176 14.663 ( 0.000 16.584 -17.082) 23.808 15.178 ( 0.000 1.540 4.304) 4.571 15.340 ( 0.000 3.464 -13.881) 14.306 15.912 ( 0.000 -6.989 -12.787) 14.573 16.008 ( 0.000 -17.883 -3.565) 18.235 16.128 ( 0.000 -15.146 -0.496) 15.154 16.682 ( 0.000 -7.581 2.527) 7.991 16.778 ( 0.000 -8.977 -4.446) 10.017 17.777 ( 0.000 2.263 6.332) 6.724 17.796 ( 0.000 1.427 5.689) 5.865 19.234 ( 0.000 2.093 3.416) 4.006 19.280 ( 0.000 0.122 0.153) 0.196 19.516 ( 0.000 6.515 4.018) 7.655 19.655 ( 0.000 2.012 -2.406) 3.136 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 5.143 1.685 6.300) 8.306 2.180 ( 1.099 4.613 2.883) 5.550 2.534 ( -3.245 6.236 -3.049) 7.662 2.608 ( -1.221 -4.007 2.214) 4.737 2.831 ( -0.010 -3.790 8.221) 9.052 2.894 ( -5.161 2.828 3.915) 7.068 3.053 ( 5.455 -1.314 -10.333) 11.758 3.211 ( -0.389 -3.599 -5.575) 6.647 3.265 ( 4.859 0.904 -5.463) 7.367 3.351 ( -1.142 -2.545 -9.814) 10.202 3.759 ( 0.848 -11.397 7.628) 13.741 4.115 ( -4.462 -13.102 -9.232) 16.638 5.326 ( -0.305 25.639 8.536) 27.025 5.548 ( -1.703 21.760 -1.665) 21.890 5.824 ( -9.351 5.723 19.492) 22.364 5.864 ( -8.469 7.076 22.169) 24.763 6.469 ( 2.225 1.350 -0.792) 2.720 6.544 ( 2.279 0.373 6.276) 6.687 6.654 ( 6.114 -2.889 7.376) 10.007 6.908 ( -11.811 -7.349 -13.429) 19.336 6.988 ( 3.878 -8.619 -3.919) 10.231 7.108 ( 8.320 -11.782 -2.147) 14.583 7.341 ( 3.219 2.834 -18.371) 18.865 7.493 ( 6.951 -2.444 -13.200) 15.118 8.216 ( -12.071 8.638 -0.722) 14.861 8.225 ( -10.497 2.314 -2.184) 10.968 8.637 ( -2.596 -10.143 0.505) 10.482 8.725 ( -0.234 -2.604 -4.256) 4.995 9.159 ( 12.637 1.503 3.628) 13.233 9.352 ( 13.435 -1.499 -5.368) 14.545 9.572 ( 3.680 -0.571 -4.397) 5.762 9.605 ( 5.361 -1.959 -5.425) 7.874 10.841 ( 1.284 3.655 11.645) 12.272 11.061 ( 3.201 -3.066 2.526) 5.101 11.473 ( -15.353 -1.961 7.510) 17.203 11.548 ( -14.322 -4.788 6.095) 16.285 11.827 ( 2.744 15.945 9.551) 18.788 12.037 ( 6.679 11.995 -5.443) 14.769 12.205 ( 8.491 9.140 2.951) 12.820 12.518 ( 8.520 0.797 -0.245) 8.561 12.694 ( 2.248 2.800 1.364) 3.841 13.011 ( 8.882 -3.085 -10.550) 14.132 13.279 ( -0.483 -6.329 -0.973) 6.421 13.421 ( 3.568 -7.742 -8.060) 11.732 13.844 ( -0.635 5.848 10.901) 12.387 14.384 ( -3.127 -2.260 5.139) 6.426 14.615 ( -2.131 19.123 -7.655) 20.708 15.234 ( 4.685 2.064 7.996) 9.494 15.394 ( 4.579 1.417 -16.190) 16.884 15.953 ( 3.783 -9.542 -9.886) 14.251 16.033 ( 2.987 -16.017 -3.831) 16.738 16.166 ( 3.364 -12.192 -1.698) 12.761 16.667 ( -1.063 -6.658 2.561) 7.212 16.806 ( 2.332 -9.033 -5.629) 10.896 17.748 ( -3.312 0.866 6.112) 7.005 17.757 ( -3.441 0.844 6.056) 7.016 19.204 ( -2.862 2.276 3.060) 4.768 19.246 ( -2.986 1.267 -0.124) 3.246 19.493 ( -2.297 6.572 3.555) 7.817 19.627 ( -2.765 2.247 -2.583) 4.401 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 4.812 2.071 0.195) 5.242 2.218 ( 3.166 2.658 5.182) 6.629 2.486 ( -1.452 5.013 -6.369) 8.234 2.587 ( -0.769 -2.787 -0.225) 2.900 2.754 ( -5.432 -3.806 10.061) 12.051 2.844 ( -0.836 -4.077 6.921) 8.076 3.079 ( -3.557 0.873 -7.128) 8.014 3.193 ( -1.789 -5.618 -7.117) 9.242 3.325 ( 5.244 -4.115 -3.681) 7.615 3.437 ( 5.233 2.578 -7.774) 9.719 3.807 ( 4.367 -10.257 3.205) 11.600 4.007 ( -5.327 -10.972 -6.301) 13.728 5.253 ( -6.420 16.234 10.340) 20.290 5.467 ( -7.004 10.929 5.891) 14.254 5.679 ( -8.948 12.913 7.041) 17.215 5.743 ( 2.029 14.067 16.792) 21.999 6.381 ( -10.818 5.189 -20.117) 23.423 6.538 ( -10.065 -1.478 -13.822) 17.162 6.705 ( 5.729 -1.052 9.453) 11.104 6.834 ( 6.658 -4.475 5.014) 9.460 7.131 ( 7.887 -7.353 0.807) 10.813 7.299 ( 7.897 -8.833 0.104) 11.848 7.424 ( 5.835 4.336 -6.027) 9.443 7.593 ( 2.679 -1.915 -7.233) 7.947 8.017 ( -7.908 2.052 -0.385) 8.179 8.060 ( -3.673 0.077 -1.117) 3.840 8.548 ( -5.979 -8.580 1.050) 10.510 8.637 ( -6.814 -5.197 -3.311) 9.188 9.470 ( 15.709 10.320 6.004) 19.731 9.581 ( 8.868 2.914 -0.960) 9.383 9.688 ( 7.513 2.124 -5.784) 9.717 9.780 ( 11.268 1.569 -8.068) 13.947 10.836 ( -3.567 0.550 9.428) 10.095 11.017 ( -12.130 -1.404 0.176) 12.212 11.222 ( -7.740 -6.474 7.580) 12.620 11.316 ( -2.906 -11.682 5.003) 13.036 11.932 ( 7.023 16.220 12.956) 21.914 12.233 ( 11.867 9.518 -4.043) 15.740 12.357 ( 6.632 11.574 -3.661) 13.833 12.487 ( -5.087 9.606 -2.787) 11.221 12.872 ( 6.795 -7.814 4.333) 11.225 13.164 ( 5.609 -10.788 -1.931) 12.312 13.369 ( 8.822 -0.866 -5.763) 10.573 13.494 ( 4.386 -2.439 -11.827) 12.848 13.809 ( -2.175 3.195 2.531) 4.620 14.249 ( -9.445 0.551 -8.438) 12.677 14.673 ( 7.677 13.467 12.028) 19.621 15.348 ( 5.816 1.606 5.172) 7.947 15.488 ( 4.960 -2.575 -7.667) 9.487 16.047 ( 5.220 -17.357 -1.279) 18.170 16.149 ( 8.197 -8.103 -7.209) 13.594 16.246 ( 4.366 -6.506 -2.422) 8.201 16.649 ( -0.631 -4.547 2.050) 5.027 16.858 ( 2.485 -7.986 -7.839) 11.463 17.636 ( -7.150 -2.222 6.861) 10.155 17.668 ( -5.792 -2.188 5.258) 8.123 19.132 ( -3.671 3.482 1.919) 5.412 19.179 ( -3.216 3.639 -1.085) 4.976 19.425 ( -4.233 6.775 2.352) 8.328 19.546 ( -5.180 2.862 -3.001) 6.635 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 1.361 2.407 -1.421) 3.109 2.280 ( 1.304 1.310 4.214) 4.602 2.459 ( -1.316 7.512 -8.321) 11.287 2.572 ( -1.030 -0.058 -2.391) 2.604 2.688 ( -0.274 -7.157 11.921) 13.907 2.829 ( -0.944 -6.190 6.869) 9.294 3.015 ( -1.237 -1.035 -5.844) 6.062 3.153 ( -2.498 -5.400 -6.272) 8.645 3.415 ( 3.445 0.147 -2.435) 4.222 3.497 ( 0.619 0.814 -5.186) 5.286 3.903 ( 2.465 -11.307 1.221) 11.637 3.962 ( 2.958 -13.295 -1.816) 13.741 5.154 ( -1.558 7.777 6.513) 10.263 5.307 ( -7.018 0.743 8.987) 11.427 5.498 ( -9.156 14.758 -5.087) 18.097 5.833 ( 2.856 16.334 5.825) 17.576 6.056 ( -16.157 3.805 -14.949) 22.338 6.365 ( -7.045 13.107 -13.705) 20.230 6.880 ( 9.109 0.919 9.636) 13.292 6.966 ( 5.816 -3.824 4.366) 8.217 7.262 ( 4.650 -5.186 1.090) 7.050 7.399 ( 2.949 -2.978 -2.263) 4.763 7.481 ( -1.074 2.705 0.658) 2.984 7.683 ( 5.429 2.382 -4.746) 7.594 7.934 ( 1.284 -3.204 3.360) 4.817 8.062 ( 2.546 -2.307 -0.186) 3.441 8.401 ( -8.177 -8.823 2.667) 12.321 8.486 ( -7.998 -4.881 -1.256) 9.453 9.740 ( 10.841 11.151 5.901) 16.634 9.757 ( 9.242 3.483 0.714) 9.903 9.863 ( 9.085 8.929 -4.169) 13.403 9.980 ( 7.355 8.011 -5.673) 12.266 10.659 ( -12.047 -3.758 3.005) 12.972 10.708 ( -15.705 -2.712 0.425) 15.943 11.161 ( 1.544 -12.016 9.467) 15.374 11.343 ( 1.279 -16.255 3.259) 16.628 12.083 ( 7.281 18.073 13.619) 23.772 12.356 ( -3.371 11.621 0.061) 12.101 12.489 ( 7.309 10.249 -2.470) 12.828 12.530 ( 12.326 7.749 -6.373) 15.893 12.934 ( 1.616 -9.671 -0.704) 9.830 13.197 ( -1.811 -11.882 -3.368) 12.483 13.449 ( -4.654 -1.396 -6.883) 8.425 13.615 ( 4.876 -1.055 -8.320) 9.701 13.841 ( 6.122 4.295 -0.845) 7.526 14.083 ( -4.033 9.857 -11.340) 15.557 14.872 ( 10.925 1.191 11.097) 15.618 15.388 ( -2.297 -8.369 -11.298) 14.246 15.664 ( 12.707 2.845 15.564) 20.293 16.151 ( 4.329 -15.895 3.455) 16.832 16.297 ( 4.348 -9.256 3.333) 10.756 16.350 ( 6.235 -2.118 -7.840) 10.238 16.649 ( 1.227 -0.954 -0.193) 1.566 16.892 ( 0.374 -4.560 -8.401) 9.566 17.482 ( -7.393 -7.108 6.455) 12.118 17.527 ( -7.667 -7.321 4.116) 11.372 19.081 ( -1.010 6.036 -0.070) 6.120 19.131 ( -1.362 6.054 -2.557) 6.711 19.330 ( -4.871 6.627 0.798) 8.263 19.425 ( -6.597 3.560 -3.252) 8.171 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 0.690 2.747 1.284) 3.110 2.261 ( -2.185 3.238 4.315) 5.820 2.470 ( 2.610 6.610 -9.034) 11.494 2.533 ( -2.879 3.335 -6.159) 7.573 2.728 ( 3.325 -7.589 8.879) 12.144 2.794 ( -2.736 -6.385 6.553) 9.549 3.032 ( 2.282 -4.035 -5.397) 7.114 3.091 ( -3.340 -5.300 -5.398) 8.269 3.470 ( 1.832 3.233 -0.891) 3.821 3.490 ( -0.577 2.846 -1.875) 3.456 3.955 ( 3.530 -15.524 4.171) 16.457 4.010 ( -0.563 -16.655 2.354) 16.830 5.204 ( 3.730 4.545 0.640) 5.914 5.262 ( 3.446 0.703 -2.260) 4.181 5.335 ( -3.539 6.718 -8.094) 11.098 5.580 ( -18.516 -3.810 -14.209) 23.649 6.056 ( 7.738 25.928 4.001) 27.353 6.218 ( -7.823 22.672 -4.097) 24.331 7.027 ( 4.782 -0.208 6.114) 7.765 7.053 ( 2.212 -2.108 4.455) 5.402 7.320 ( 1.682 -2.071 0.706) 2.760 7.367 ( -3.480 -0.308 -1.283) 3.721 7.555 ( 6.986 1.899 -0.303) 7.246 7.683 ( -4.485 3.021 -4.330) 6.927 8.076 ( 9.573 -1.524 3.548) 10.323 8.130 ( 3.908 -2.235 2.330) 5.069 8.248 ( -6.016 -11.008 4.487) 13.323 8.311 ( -9.196 -6.924 0.758) 11.536 9.916 ( 6.940 15.340 3.398) 17.177 9.958 ( 9.682 2.515 1.619) 10.133 9.987 ( 1.333 18.671 0.767) 18.734 10.063 ( 0.635 5.380 -1.791) 5.705 10.437 ( -8.137 -6.343 -0.560) 10.333 10.447 ( -8.296 -6.193 -1.180) 10.420 11.232 ( 4.671 -16.475 7.252) 18.597 11.321 ( -3.369 -17.845 4.282) 18.658 12.206 ( 4.715 18.101 9.141) 20.819 12.283 ( -3.447 15.266 3.890) 16.126 12.649 ( 7.848 7.299 -0.676) 10.739 12.727 ( 3.183 8.745 -0.512) 9.320 12.989 ( 5.320 -9.338 -6.997) 12.824 13.131 ( -5.724 -10.619 -9.822) 15.557 13.358 ( 0.880 -5.176 -3.904) 6.543 13.513 ( -10.807 -7.135 -7.708) 15.071 14.010 ( 7.779 13.158 -3.235) 15.624 14.087 ( 0.281 16.551 -7.507) 18.176 15.092 ( 10.640 -9.825 1.301) 14.541 15.282 ( -7.761 -12.837 -7.919) 16.963 15.944 ( 13.612 3.780 16.552) 21.761 16.153 ( -5.641 -2.271 10.447) 12.088 16.366 ( 3.530 -12.682 3.741) 13.685 16.415 ( -0.374 -9.970 -0.765) 10.007 16.731 ( 6.552 2.801 -4.727) 8.551 16.854 ( -4.381 0.631 -6.584) 7.933 17.373 ( -2.665 -12.144 4.171) 13.114 17.393 ( -4.574 -12.236 3.048) 13.414 19.094 ( 1.941 8.709 -2.447) 9.252 19.122 ( -0.159 8.962 -3.708) 9.700 19.253 ( -1.726 4.689 -0.560) 5.027 19.297 ( -5.358 3.750 -2.553) 7.020 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 9.288 5.727) 10.911 2.256 ( 0.000 -0.274 5.557) 5.564 2.453 ( 0.000 -1.195 -4.754) 4.902 2.644 ( 0.000 -14.733 1.836) 14.847 2.897 ( 0.000 16.673 10.393) 19.647 2.944 ( 0.000 3.930 -11.169) 11.841 3.017 ( 0.000 -1.967 0.185) 1.975 3.177 ( 0.000 -9.342 4.658) 10.439 3.210 ( 0.000 4.007 -7.860) 8.822 3.317 ( 0.000 -5.152 -7.672) 9.242 3.644 ( 0.000 5.938 -4.333) 7.351 3.877 ( 0.000 -14.942 -10.319) 18.159 5.826 ( 0.000 23.795 5.130) 24.341 5.952 ( 0.000 12.826 -0.586) 12.840 6.074 ( 0.000 7.227 25.553) 26.555 6.173 ( 0.000 9.799 18.821) 21.219 6.275 ( 0.000 -10.701 19.778) 22.488 6.349 ( 0.000 -8.328 18.398) 20.195 6.644 ( 0.000 -4.752 -2.771) 5.501 6.742 ( 0.000 -12.528 -6.718) 14.216 6.786 ( 0.000 3.521 -4.708) 5.880 6.937 ( 0.000 -9.913 -8.608) 13.129 7.331 ( 0.000 3.164 -27.527) 27.709 7.381 ( 0.000 -1.845 -22.657) 22.732 8.434 ( 0.000 0.429 0.716) 0.835 8.494 ( 0.000 -6.549 -0.450) 6.564 8.673 ( 0.000 9.636 -6.781) 11.783 8.689 ( 0.000 8.760 -3.550) 9.452 8.936 ( 0.000 -5.225 -0.890) 5.300 8.993 ( 0.000 -9.504 -1.902) 9.692 9.517 ( 0.000 -0.652 -4.486) 4.533 9.520 ( 0.000 -0.955 -4.495) 4.595 10.917 ( 0.000 4.514 11.476) 12.332 10.985 ( 0.000 -2.493 8.775) 9.123 11.657 ( 0.000 -0.045 7.124) 7.124 11.675 ( 0.000 -2.027 6.753) 7.050 12.137 ( 0.000 12.826 0.763) 12.848 12.153 ( 0.000 5.776 11.418) 12.795 12.193 ( 0.000 3.253 -4.400) 5.472 12.290 ( 0.000 -2.293 7.971) 8.294 12.773 ( 0.000 1.146 -7.355) 7.444 12.850 ( 0.000 -5.210 -12.748) 13.772 13.225 ( 0.000 -2.250 -3.621) 4.263 13.244 ( 0.000 -2.858 -8.258) 8.739 14.036 ( 0.000 13.359 12.770) 18.481 14.298 ( 0.000 -11.464 5.054) 12.528 14.998 ( 0.000 16.990 -4.786) 17.651 15.237 ( 0.000 -2.112 14.589) 14.741 15.336 ( 0.000 2.071 -18.698) 18.812 15.566 ( 0.000 -17.708 2.290) 17.855 15.941 ( 0.000 0.135 -17.807) 17.807 15.954 ( 0.000 -2.851 -10.008) 10.406 16.565 ( 0.000 -3.022 0.839) 3.137 16.608 ( 0.000 -7.082 -2.634) 7.556 17.806 ( 0.000 0.762 6.429) 6.474 17.810 ( 0.000 0.218 6.220) 6.224 19.265 ( 0.000 1.132 3.510) 3.689 19.278 ( 0.000 -0.338 2.342) 2.367 19.625 ( 0.000 4.343 0.905) 4.437 19.672 ( 0.000 -0.602 -1.137) 1.286 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.416 7.940 5.504) 10.247 2.266 ( 0.830 0.128 5.881) 5.941 2.468 ( 1.408 -0.479 -4.355) 4.602 2.640 ( -0.541 -13.115 2.077) 13.290 2.757 ( -6.700 10.977 1.344) 12.931 2.914 ( -7.364 -3.607 1.751) 8.385 3.071 ( 3.475 3.748 -6.549) 8.308 3.167 ( -2.546 -3.541 -6.162) 7.549 3.218 ( 1.713 2.272 -0.135) 2.849 3.344 ( 3.695 -6.174 -2.168) 7.515 3.673 ( 2.474 5.546 -4.995) 7.864 3.867 ( -1.105 -12.433 -9.586) 15.739 5.739 ( -12.076 12.436 11.928) 21.042 5.808 ( -13.084 3.463 13.566) 19.163 5.990 ( 1.300 15.188 16.472) 22.443 6.097 ( -2.154 12.529 3.485) 13.182 6.431 ( 9.266 -3.598 13.891) 17.081 6.508 ( 9.762 -6.807 14.025) 18.394 6.658 ( -6.843 1.152 -13.810) 15.456 6.717 ( -1.975 -9.392 -3.245) 10.131 6.822 ( 4.046 -3.322 -0.414) 5.251 6.911 ( 6.061 -8.681 -6.171) 12.254 7.395 ( 4.835 2.897 -19.529) 20.326 7.448 ( 5.526 -2.540 -16.860) 17.923 8.223 ( -13.862 0.202 -0.384) 13.868 8.265 ( -15.263 -3.287 -1.963) 15.735 8.598 ( -2.831 5.084 -0.179) 5.822 8.689 ( -4.858 -2.884 -4.328) 7.117 9.209 ( 21.593 3.974 0.445) 21.960 9.295 ( 20.405 -4.278 -3.615) 21.159 9.561 ( 4.674 -0.172 -4.818) 6.715 9.572 ( 5.231 -1.262 -5.156) 7.453 10.923 ( 0.304 4.639 11.422) 12.332 11.003 ( 1.532 -3.428 8.288) 9.099 11.447 ( -16.883 -0.364 6.397) 18.058 11.470 ( -16.625 -2.852 5.974) 17.895 12.118 ( 2.746 12.032 5.952) 13.702 12.194 ( 5.224 3.746 -1.270) 6.553 12.395 ( 11.796 7.998 1.451) 14.325 12.479 ( 13.416 -3.193 5.814) 14.966 12.741 ( -2.633 2.745 -4.240) 5.696 12.877 ( 1.294 -9.793 -8.419) 12.979 13.236 ( 3.777 1.850 -6.590) 7.818 13.308 ( 5.025 -4.836 -10.198) 12.355 14.010 ( -2.886 12.008 10.531) 16.230 14.254 ( -4.229 -11.253 4.452) 12.819 14.984 ( -0.673 18.824 -3.210) 19.108 15.283 ( 3.513 -8.144 8.177) 12.063 15.348 ( 1.358 4.829 -10.320) 11.474 15.581 ( 2.035 -17.723 5.582) 18.692 15.993 ( 5.700 1.953 -14.855) 16.030 16.037 ( 6.651 -2.820 -12.974) 14.850 16.570 ( 0.641 -1.894 0.536) 2.070 16.631 ( 2.168 -7.721 -3.558) 8.773 17.757 ( -4.975 0.313 6.414) 8.123 17.762 ( -4.634 -0.167 6.248) 7.781 19.241 ( -2.156 1.518 3.156) 4.113 19.258 ( -1.856 -0.166 1.973) 2.714 19.602 ( -2.255 4.319 0.581) 4.907 19.647 ( -2.407 -0.463 -1.374) 2.810 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 4.454 4.749 4.343) 7.826 2.283 ( 0.824 1.344 6.672) 6.855 2.503 ( 1.940 0.550 -2.832) 3.477 2.615 ( -2.018 -7.808 1.783) 8.259 2.657 ( -3.277 6.765 1.122) 7.601 2.781 ( -4.947 -4.152 2.145) 6.805 3.050 ( -3.548 -1.862 -6.465) 7.606 3.079 ( -3.928 -4.519 -8.240) 10.186 3.328 ( 6.407 3.809 -0.745) 7.491 3.425 ( 3.718 -4.713 -0.982) 6.083 3.728 ( 2.800 2.373 -5.050) 6.242 3.831 ( -2.297 -7.395 -7.425) 10.729 5.453 ( -13.639 5.875 14.527) 20.775 5.519 ( -14.059 -1.347 15.939) 21.296 6.000 ( -9.152 14.933 -6.570) 18.706 6.076 ( 2.229 12.697 4.144) 13.541 6.422 ( -11.205 3.782 -11.406) 16.430 6.608 ( 3.847 7.317 -6.763) 10.681 6.657 ( 7.045 -10.352 4.445) 13.287 6.716 ( 8.392 -5.216 7.874) 12.635 6.998 ( 9.447 -1.729 3.744) 10.308 7.108 ( 10.141 -10.237 0.751) 14.429 7.501 ( 5.183 3.628 -9.017) 11.015 7.559 ( 5.146 -2.259 -8.246) 9.979 7.975 ( -10.031 -1.511 0.161) 10.145 8.016 ( -8.659 -4.885 -0.644) 9.963 8.508 ( -5.949 3.007 0.382) 6.677 8.572 ( -6.544 -2.879 -2.222) 7.487 9.589 ( 11.844 3.008 2.158) 12.410 9.627 ( 10.857 -0.420 -0.012) 10.866 9.740 ( 15.868 5.172 -5.952) 17.719 9.807 ( 18.502 -0.648 -7.359) 19.922 10.896 ( -5.135 6.110 10.678) 13.331 11.015 ( -4.655 -0.644 4.487) 6.497 11.094 ( -13.349 -7.394 6.873) 16.736 11.118 ( -15.485 -5.827 4.714) 17.203 12.235 ( 8.344 13.377 7.585) 17.496 12.353 ( 10.207 1.743 -1.289) 10.435 12.597 ( 7.139 11.260 -3.042) 13.675 12.629 ( -1.087 6.091 -1.946) 6.486 12.726 ( 2.051 -5.997 1.497) 6.512 12.903 ( 2.524 -15.002 -4.172) 15.775 13.395 ( 10.468 2.815 -7.984) 13.463 13.453 ( 9.027 -2.669 -10.798) 14.325 13.924 ( -4.401 9.871 7.150) 12.959 14.144 ( -5.537 -10.581 2.156) 12.135 14.979 ( -0.419 17.263 -2.144) 17.401 15.281 ( -3.656 -12.395 -14.761) 19.619 15.468 ( 10.343 5.596 17.138) 20.784 15.673 ( 7.361 -16.140 11.262) 21.013 16.140 ( 7.544 2.687 -11.319) 13.866 16.187 ( 7.480 -1.850 -11.627) 13.948 16.600 ( 2.585 0.716 -0.981) 2.856 16.693 ( 4.021 -8.089 -5.842) 10.758 17.607 ( -9.716 -0.432 6.627) 11.769 17.623 ( -9.129 -1.970 5.819) 11.004 19.193 ( -2.057 2.512 2.065) 3.849 19.217 ( -1.810 0.269 0.821) 2.006 19.536 ( -4.228 4.221 -0.280) 5.981 19.577 ( -4.565 -0.056 -1.963) 4.970 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 1.310 4.095 3.658) 5.645 2.315 ( 2.368 1.527 6.628) 7.202 2.534 ( 0.003 -2.404 1.582) 2.878 2.550 ( -3.920 -3.943 5.813) 8.044 2.633 ( 1.557 6.979 -4.553) 8.477 2.740 ( 0.793 -3.715 -0.221) 3.805 2.974 ( -3.266 -1.596 -5.885) 6.917 3.023 ( -2.700 -6.478 -6.999) 9.912 3.441 ( 5.154 2.470 -1.309) 5.863 3.492 ( 3.078 -1.940 -1.792) 4.056 3.771 ( 0.372 -2.900 -2.871) 4.098 3.785 ( -1.741 -4.648 -3.730) 6.209 5.248 ( -5.663 3.025 8.290) 10.485 5.290 ( -7.495 -1.630 9.820) 12.460 5.737 ( -15.414 9.607 -12.799) 22.219 5.878 ( -18.194 -5.249 -15.371) 24.389 6.418 ( 7.590 25.258 5.742) 26.992 6.677 ( 3.751 14.527 -7.311) 16.690 6.837 ( 7.706 -10.410 8.622) 15.560 6.893 ( 8.320 -1.870 7.026) 11.049 7.162 ( 6.966 -2.053 0.802) 7.306 7.266 ( 5.620 -10.236 -1.291) 11.749 7.539 ( -2.356 3.959 -3.736) 5.932 7.650 ( 1.141 -6.147 -5.619) 8.406 7.867 ( 1.904 -0.197 4.732) 5.105 7.939 ( 1.347 -7.090 2.375) 7.597 8.366 ( -7.862 3.026 1.858) 8.627 8.427 ( -7.904 -2.644 -0.571) 8.355 9.786 ( 9.879 1.822 0.591) 10.063 9.817 ( 9.602 -1.027 -0.919) 9.700 10.094 ( 15.814 11.543 -0.736) 19.593 10.170 ( 15.760 5.513 -4.460) 17.282 10.641 ( -16.564 3.570 4.954) 17.654 10.699 ( -16.776 0.823 1.496) 16.863 10.948 ( -4.351 -7.894 7.852) 11.954 11.027 ( -2.737 -14.725 5.898) 16.097 12.431 ( 9.853 16.482 9.238) 21.309 12.543 ( 2.728 7.877 -1.721) 8.512 12.636 ( 8.172 0.992 -2.234) 8.530 12.686 ( 4.010 8.137 -5.565) 10.642 12.753 ( 1.713 -7.279 -2.073) 7.759 12.932 ( -0.695 -14.260 -5.814) 15.416 13.467 ( -6.837 3.274 -2.061) 7.856 13.555 ( -3.493 -4.805 -4.677) 7.561 13.985 ( 13.201 10.342 0.898) 16.794 14.155 ( 9.840 -4.085 -4.581) 11.597 14.934 ( -4.429 7.544 -2.720) 9.161 15.159 ( -8.318 -14.016 -12.505) 20.542 15.729 ( 14.720 4.622 17.826) 23.575 15.870 ( 11.544 -11.050 13.126) 20.680 16.248 ( 2.622 1.806 -3.816) 4.969 16.303 ( 2.957 -3.034 -5.971) 7.321 16.686 ( 6.189 4.373 -3.839) 8.495 16.790 ( 5.425 -5.822 -7.064) 10.641 17.380 ( -12.220 -2.494 5.981) 13.832 17.404 ( -12.165 -4.643 4.679) 13.836 19.176 ( 0.593 3.424 0.258) 3.485 19.200 ( 0.388 1.089 -0.807) 1.410 19.436 ( -5.463 3.884 -1.337) 6.835 19.468 ( -6.023 0.544 -2.545) 6.561 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.012 6.136 5.305) 8.358 2.346 ( 0.135 5.298 5.890) 7.923 2.484 ( -1.398 -6.119 5.596) 8.409 2.503 ( -2.359 -6.141 4.435) 7.934 2.713 ( 5.019 7.238 -5.469) 10.368 2.772 ( 0.547 3.649 -3.327) 4.968 2.920 ( -1.344 -6.615 -7.435) 10.042 2.956 ( -3.666 -7.979 -6.530) 10.943 3.544 ( 4.313 4.255 0.036) 6.059 3.560 ( 3.159 3.790 -0.520) 4.961 3.730 ( -1.818 -7.455 1.425) 7.805 3.756 ( -2.900 -9.261 0.243) 9.708 5.249 ( 4.708 1.065 -1.440) 5.037 5.261 ( 6.109 -0.327 -2.750) 6.707 5.438 ( -13.038 4.108 -10.681) 17.348 5.509 ( -16.612 -3.627 -12.701) 21.224 6.584 ( 7.749 26.705 5.796) 28.404 6.697 ( -2.644 24.399 0.951) 24.560 6.961 ( 4.827 -9.997 6.356) 12.792 7.004 ( 1.619 -5.318 5.882) 8.093 7.287 ( 5.580 0.019 -1.313) 5.732 7.361 ( 2.131 -2.268 -4.671) 5.613 7.465 ( -1.005 -6.724 -1.304) 6.923 7.570 ( -6.746 -12.137 -5.068) 14.782 8.022 ( 9.188 -0.667 4.956) 10.460 8.043 ( 8.273 -1.347 4.317) 9.428 8.201 ( -8.140 1.712 3.990) 9.225 8.250 ( -9.591 -2.486 1.697) 10.053 10.004 ( 11.514 2.427 0.605) 11.782 10.030 ( 11.298 0.359 -0.631) 11.322 10.246 ( -5.884 5.219 2.889) 8.379 10.315 ( -13.558 -3.581 1.036) 14.061 10.411 ( 6.919 20.250 1.222) 21.435 10.483 ( -1.394 13.678 -0.352) 13.754 10.885 ( -0.855 -18.364 6.110) 19.373 10.941 ( -5.077 -20.625 4.315) 21.674 12.542 ( 1.447 14.630 0.339) 14.706 12.558 ( 0.341 14.695 -0.388) 14.704 12.753 ( 3.978 -4.439 -1.508) 6.148 12.798 ( 1.708 -6.617 -5.405) 8.713 12.914 ( 7.899 4.347 -2.942) 9.484 12.944 ( 9.067 -2.167 -1.563) 9.452 13.249 ( -10.330 -3.271 0.376) 10.842 13.343 ( -13.859 -9.762 -0.637) 16.964 14.312 ( 15.114 17.102 -4.043) 23.179 14.413 ( 8.879 14.032 -8.546) 18.675 14.829 ( -2.888 -13.139 -3.315) 13.855 14.953 ( -11.361 -19.148 -9.068) 24.041 16.020 ( 12.870 4.038 13.186) 18.864 16.098 ( 9.397 -3.811 9.297) 13.758 16.232 ( -3.971 -0.768 4.452) 6.015 16.282 ( -4.800 -4.774 2.265) 7.138 16.838 ( 7.959 7.196 -3.209) 11.199 16.895 ( 3.869 2.613 -4.402) 6.417 17.153 ( -8.569 -8.818 2.791) 12.608 17.171 ( -9.311 -9.438 1.770) 13.376 19.221 ( 3.631 4.044 -1.650) 5.680 19.237 ( 3.137 2.572 -2.242) 4.635 19.326 ( -5.014 2.720 -1.902) 6.013 19.345 ( -5.734 0.888 -2.539) 6.333 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 0.000 0.000 -14.653) 14.653 2.363 ( 0.000 0.000 14.653) 14.653 2.410 ( 0.000 0.000 -17.736) 17.736 2.410 ( 0.000 0.000 17.736) 17.736 2.663 ( 0.000 0.000 -12.804) 12.804 2.663 ( 0.000 0.000 12.804) 12.804 2.953 ( 0.000 0.000 -5.767) 5.767 2.953 ( 0.000 0.000 5.767) 5.767 3.577 ( 0.000 0.000 -7.012) 7.012 3.577 ( 0.000 0.000 7.012) 7.012 4.369 ( 0.000 0.000 -12.209) 12.209 4.369 ( 0.000 0.000 12.209) 12.209 4.771 ( 0.000 0.000 -6.077) 6.077 4.771 ( 0.000 0.000 6.077) 6.077 6.112 ( 0.000 0.000 -16.272) 16.272 6.112 ( 0.000 0.000 16.272) 16.272 6.475 ( 0.000 0.000 -33.820) 33.820 6.475 ( 0.000 0.000 33.820) 33.820 6.918 ( 0.000 0.000 -11.839) 11.839 6.918 ( 0.000 0.000 11.839) 11.839 6.964 ( 0.000 0.000 -16.382) 16.382 6.964 ( 0.000 0.000 16.382) 16.382 7.301 ( 0.000 0.000 -5.054) 5.054 7.301 ( 0.000 0.000 5.054) 5.054 8.010 ( 0.000 0.000 -0.199) 0.199 8.010 ( 0.000 0.000 0.199) 0.199 9.031 ( 0.000 0.000 -11.981) 11.981 9.031 ( 0.000 0.000 11.981) 11.981 9.125 ( 0.000 0.000 -1.533) 1.533 9.125 ( 0.000 0.000 1.533) 1.533 9.556 ( 0.000 0.000 -0.929) 0.929 9.556 ( 0.000 0.000 0.929) 0.929 10.913 ( 0.000 0.000 -10.074) 10.074 10.913 ( 0.000 0.000 10.074) 10.074 11.533 ( 0.000 0.000 -1.604) 1.604 11.533 ( 0.000 0.000 1.604) 1.604 11.831 ( 0.000 0.000 -2.978) 2.978 11.831 ( 0.000 0.000 2.978) 2.978 12.239 ( 0.000 0.000 -14.049) 14.049 12.239 ( 0.000 0.000 14.049) 14.049 12.637 ( 0.000 0.000 -11.130) 11.130 12.637 ( 0.000 0.000 11.130) 11.130 13.742 ( 0.000 0.000 -11.592) 11.592 13.742 ( 0.000 0.000 11.592) 11.592 13.755 ( 0.000 0.000 -12.597) 12.597 13.755 ( 0.000 0.000 12.597) 12.597 14.665 ( 0.000 0.000 -26.315) 26.315 14.665 ( 0.000 0.000 26.315) 26.315 15.564 ( 0.000 0.000 -20.191) 20.191 15.564 ( 0.000 0.000 20.191) 20.191 16.664 ( 0.000 0.000 -2.467) 2.467 16.664 ( 0.000 0.000 2.467) 2.467 16.898 ( 0.000 0.000 -0.321) 0.321 16.898 ( 0.000 0.000 0.321) 0.321 17.741 ( 0.000 0.000 -1.108) 1.108 17.741 ( 0.000 0.000 1.108) 1.108 19.207 ( 0.000 0.000 -3.290) 3.290 19.207 ( 0.000 0.000 3.290) 3.290 19.508 ( 0.000 0.000 -5.678) 5.678 19.508 ( 0.000 0.000 5.678) 5.678 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -3.740 0.000 -12.212) 12.771 2.347 ( -3.740 0.000 12.212) 12.771 2.388 ( 1.830 0.000 -12.866) 12.995 2.388 ( 1.830 0.000 12.866) 12.995 2.800 ( 10.077 0.000 -7.861) 12.780 2.800 ( 10.077 0.000 7.861) 12.780 2.934 ( -1.405 0.000 -4.906) 5.103 2.934 ( -1.405 0.000 4.906) 5.103 3.554 ( -1.943 0.000 -5.543) 5.874 3.554 ( -1.943 0.000 5.543) 5.874 4.346 ( -1.745 0.000 -10.000) 10.151 4.346 ( -1.745 0.000 10.000) 10.151 4.767 ( -0.431 0.000 -5.881) 5.896 4.767 ( -0.431 0.000 5.881) 5.896 6.029 ( -7.426 0.000 -18.713) 20.133 6.029 ( -7.426 0.000 18.713) 20.133 6.374 ( -9.652 0.000 -33.116) 34.494 6.374 ( -9.652 0.000 33.116) 34.494 6.917 ( 1.554 0.000 -12.381) 12.478 6.917 ( 1.554 0.000 12.381) 12.478 7.015 ( 4.637 0.000 -12.467) 13.302 7.015 ( 4.637 0.000 12.467) 13.302 7.430 ( 10.357 0.000 -5.878) 11.908 7.430 ( 10.357 0.000 5.878) 11.908 7.944 ( -6.079 0.000 -5.911) 8.479 7.944 ( -6.079 0.000 5.911) 8.479 9.059 ( -6.393 0.000 -2.258) 6.780 9.059 ( -6.393 0.000 2.258) 6.780 9.118 ( 7.854 0.000 -11.021) 13.534 9.118 ( 7.854 0.000 11.021) 13.534 9.574 ( 2.412 0.000 -2.426) 3.421 9.574 ( 2.412 0.000 2.426) 3.421 10.977 ( 4.735 0.000 -10.616) 11.624 10.977 ( 4.735 0.000 10.616) 11.624 11.614 ( 7.656 0.000 -4.466) 8.863 11.614 ( 7.656 0.000 4.466) 8.863 11.682 ( -10.598 0.000 -4.810) 11.639 11.682 ( -10.598 0.000 4.810) 11.639 12.209 ( -2.594 0.000 -13.415) 13.664 12.209 ( -2.594 0.000 13.415) 13.664 12.847 ( 16.956 0.000 -9.242) 19.311 12.847 ( 16.956 0.000 9.242) 19.311 13.698 ( -4.270 0.000 -13.201) 13.874 13.698 ( -4.270 0.000 13.201) 13.874 13.724 ( -2.956 0.000 -12.199) 12.552 13.724 ( -2.956 0.000 12.199) 12.552 14.749 ( 7.902 0.000 -27.606) 28.715 14.749 ( 7.902 0.000 27.606) 28.715 15.608 ( 4.448 0.000 -20.895) 21.363 15.608 ( 4.448 0.000 20.895) 21.363 16.688 ( 2.371 0.000 -2.336) 3.329 16.688 ( 2.371 0.000 2.336) 3.329 16.877 ( -1.993 0.000 -5.119) 5.493 16.877 ( -1.993 0.000 5.119) 5.493 17.739 ( -0.295 0.000 -0.635) 0.700 17.739 ( -0.295 0.000 0.635) 0.700 19.157 ( -4.706 0.000 -2.777) 5.465 19.157 ( -4.706 0.000 2.777) 5.465 19.471 ( -3.596 0.000 -5.670) 6.715 19.471 ( -3.596 0.000 5.670) 6.715 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -1.341 0.000 -9.409) 9.504 2.296 ( -1.341 0.000 9.409) 9.504 2.390 ( -2.730 0.000 -7.707) 8.176 2.390 ( -2.730 0.000 7.707) 8.176 2.935 ( 2.508 0.000 -3.100) 3.988 2.935 ( 2.508 0.000 3.100) 3.988 2.973 ( 5.674 0.000 -6.211) 8.412 2.973 ( 5.674 0.000 6.211) 8.412 3.517 ( -1.695 0.000 -1.270) 2.118 3.517 ( -1.695 0.000 1.270) 2.118 4.345 ( 3.278 0.000 -3.738) 4.972 4.345 ( 3.278 0.000 3.738) 4.972 4.748 ( -1.487 0.000 -5.434) 5.634 4.748 ( -1.487 0.000 5.434) 5.634 5.856 ( -8.808 0.000 -19.398) 21.304 5.856 ( -8.808 0.000 19.398) 21.304 6.117 ( -15.183 0.000 -29.172) 32.887 6.117 ( -15.183 0.000 29.172) 32.887 6.993 ( 5.371 0.000 -11.482) 12.676 6.993 ( 5.371 0.000 11.482) 12.676 7.127 ( 5.837 0.000 -5.588) 8.080 7.127 ( 5.837 0.000 5.588) 8.080 7.646 ( 10.085 0.000 -4.778) 11.159 7.646 ( 10.085 0.000 4.778) 11.159 7.792 ( -8.316 0.000 -9.200) 12.401 7.792 ( -8.316 0.000 9.200) 12.401 8.895 ( -8.933 0.000 -1.357) 9.036 8.895 ( -8.933 0.000 1.357) 9.036 9.306 ( 9.825 0.000 -8.658) 13.096 9.306 ( 9.825 0.000 8.658) 13.096 9.665 ( 6.430 0.000 -5.005) 8.148 9.665 ( 6.430 0.000 5.005) 8.148 10.995 ( -5.155 0.000 -6.988) 8.683 10.995 ( -5.155 0.000 6.988) 8.683 11.560 ( 0.666 0.000 -6.406) 6.440 11.560 ( 0.666 0.000 6.406) 6.440 11.803 ( 9.137 0.000 -9.797) 13.396 11.803 ( 9.137 0.000 9.797) 13.396 12.171 ( 0.602 0.000 -10.715) 10.732 12.171 ( 0.602 0.000 10.715) 10.732 13.200 ( 16.108 0.000 -8.110) 18.034 13.200 ( 16.108 0.000 8.110) 18.034 13.573 ( -7.938 0.000 -13.825) 15.942 13.573 ( -7.938 0.000 13.825) 15.942 13.647 ( -4.202 0.000 -9.412) 10.308 13.647 ( -4.202 0.000 9.412) 10.308 14.956 ( 11.677 0.000 -26.066) 28.562 14.956 ( 11.677 0.000 26.066) 28.562 15.747 ( 9.347 0.000 -22.110) 24.004 15.747 ( 9.347 0.000 22.110) 24.004 16.756 ( 4.250 0.000 -2.099) 4.741 16.756 ( 4.250 0.000 2.099) 4.741 16.818 ( -3.993 0.000 -9.482) 10.288 16.818 ( -3.993 0.000 9.482) 10.288 17.730 ( -0.542 0.000 -0.517) 0.749 17.730 ( -0.542 0.000 0.517) 0.749 19.031 ( -7.376 0.000 -1.591) 7.546 19.031 ( -7.376 0.000 1.591) 7.546 19.369 ( -6.185 0.000 -5.442) 8.238 19.369 ( -6.185 0.000 5.442) 8.238 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -7.046 0.000 -3.802) 8.006 2.280 ( -7.046 0.000 3.802) 8.006 2.284 ( -0.148 0.000 -6.872) 6.874 2.284 ( -0.148 0.000 6.872) 6.874 3.024 ( 0.267 0.000 -5.614) 5.621 3.024 ( 0.267 0.000 5.614) 5.621 3.031 ( 5.922 0.000 -3.250) 6.755 3.031 ( 5.922 0.000 3.250) 6.755 3.468 ( -3.291 0.000 -1.965) 3.833 3.468 ( -3.291 0.000 1.965) 3.833 4.522 ( 14.099 0.000 -4.215) 14.716 4.522 ( 14.099 0.000 4.215) 14.716 4.711 ( -2.042 0.000 -4.439) 4.886 4.711 ( -2.042 0.000 4.439) 4.886 5.702 ( -6.041 0.000 -14.212) 15.443 5.702 ( -6.041 0.000 14.212) 15.443 5.775 ( -18.528 0.000 -23.773) 30.141 5.775 ( -18.528 0.000 23.773) 30.141 7.110 ( 5.748 0.000 -8.858) 10.559 7.110 ( 5.748 0.000 8.858) 10.559 7.233 ( 4.418 0.000 -2.865) 5.266 7.233 ( 4.418 0.000 2.865) 5.266 7.632 ( -7.053 0.000 -10.390) 12.558 7.632 ( -7.053 0.000 10.390) 12.558 7.815 ( 6.375 0.000 -3.026) 7.056 7.815 ( 6.375 0.000 3.026) 7.056 8.730 ( -6.842 0.000 -0.305) 6.848 8.730 ( -6.842 0.000 0.305) 6.848 9.485 ( 7.408 0.000 -5.517) 9.237 9.485 ( 7.408 0.000 5.517) 9.237 9.815 ( 7.822 0.000 -5.300) 9.448 9.815 ( 7.822 0.000 5.300) 9.448 10.812 ( -10.599 0.000 -2.132) 10.812 10.812 ( -10.599 0.000 2.132) 10.812 11.657 ( 6.492 0.000 -7.284) 9.757 11.657 ( 6.492 0.000 7.284) 9.757 11.891 ( -0.119 0.000 -9.583) 9.584 11.891 ( -0.119 0.000 9.583) 9.584 12.310 ( 12.216 0.000 -3.611) 12.739 12.310 ( 12.216 0.000 3.611) 12.739 13.388 ( -10.144 0.000 -11.601) 15.410 13.388 ( -10.144 0.000 11.601) 15.410 13.413 ( 2.716 0.000 -14.689) 14.938 13.413 ( 2.716 0.000 14.689) 14.938 13.611 ( 2.987 0.000 -2.896) 4.161 13.611 ( 2.987 0.000 2.896) 4.161 15.182 ( 9.853 0.000 -18.495) 20.956 15.182 ( 9.853 0.000 18.495) 20.956 15.979 ( 13.269 0.000 -21.876) 25.586 15.979 ( 13.269 0.000 21.876) 25.586 16.710 ( -6.907 0.000 -13.296) 14.983 16.710 ( -6.907 0.000 13.296) 14.983 16.851 ( 4.735 0.000 -1.761) 5.051 16.851 ( 4.735 0.000 1.761) 5.051 17.721 ( -0.251 0.000 -1.290) 1.314 17.721 ( -0.251 0.000 1.290) 1.314 18.881 ( -6.886 0.000 -0.581) 6.911 18.881 ( -6.886 0.000 0.581) 6.911 19.238 ( -6.366 0.000 -4.376) 7.725 19.238 ( -6.366 0.000 4.376) 7.725 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -3.582 0.000 -1.316) 3.816 2.161 ( -3.582 0.000 1.316) 3.816 2.283 ( 0.001 0.000 -2.660) 2.660 2.283 ( 0.001 0.000 2.660) 2.660 3.018 ( -0.337 0.000 -2.353) 2.377 3.018 ( -0.337 0.000 2.353) 2.377 3.129 ( 2.879 0.000 -1.387) 3.195 3.129 ( 2.879 0.000 1.387) 3.195 3.407 ( -1.983 0.000 -0.902) 2.178 3.407 ( -1.983 0.000 0.902) 2.178 4.678 ( -0.981 0.000 -1.844) 2.088 4.678 ( -0.981 0.000 1.844) 2.088 4.860 ( 16.843 0.000 -8.857) 19.030 4.860 ( 16.843 0.000 8.857) 19.030 5.393 ( -17.526 0.000 -15.377) 23.315 5.393 ( -17.526 0.000 15.377) 23.315 5.620 ( -2.059 0.000 -5.119) 5.518 5.620 ( -2.059 0.000 5.119) 5.518 7.201 ( 2.639 0.000 -3.469) 4.358 7.201 ( 2.639 0.000 3.469) 4.358 7.295 ( 1.619 0.000 -3.279) 3.657 7.295 ( 1.619 0.000 3.279) 3.657 7.529 ( -2.801 0.000 -6.064) 6.680 7.529 ( -2.801 0.000 6.064) 6.680 7.898 ( 1.953 0.000 -1.087) 2.236 7.898 ( 1.953 0.000 1.087) 2.236 8.634 ( -2.494 0.000 -0.369) 2.521 8.634 ( -2.494 0.000 0.369) 2.521 9.589 ( 2.715 0.000 -1.898) 3.313 9.589 ( 2.715 0.000 1.898) 3.313 9.949 ( 4.358 0.000 -2.480) 5.014 9.949 ( 4.358 0.000 2.480) 5.014 10.636 ( -5.528 0.000 -0.540) 5.555 10.636 ( -5.528 0.000 0.540) 5.555 11.761 ( 2.960 0.000 -3.224) 4.377 11.761 ( 2.960 0.000 3.224) 4.377 11.870 ( -0.884 0.000 -3.342) 3.457 11.870 ( -0.884 0.000 3.342) 3.457 12.551 ( 8.798 0.000 -1.788) 8.978 12.551 ( 8.798 0.000 1.788) 8.978 13.197 ( -7.088 0.000 -5.729) 9.113 13.197 ( -7.088 0.000 5.729) 9.113 13.391 ( -1.651 0.000 -6.351) 6.563 13.391 ( -1.651 0.000 6.351) 6.563 13.698 ( 2.909 0.000 -1.369) 3.215 13.698 ( 2.909 0.000 1.369) 3.215 15.324 ( 3.765 0.000 -6.630) 7.625 15.324 ( 3.765 0.000 6.630) 7.625 16.253 ( 12.816 0.000 -18.400) 22.424 16.253 ( 12.816 0.000 18.400) 22.424 16.536 ( -9.895 0.000 -15.401) 18.306 16.536 ( -9.895 0.000 15.401) 18.306 16.927 ( 2.264 0.000 -0.790) 2.398 16.927 ( 2.264 0.000 0.790) 2.398 17.720 ( 0.072 0.000 -0.713) 0.717 17.720 ( 0.072 0.000 0.713) 0.717 18.777 ( -2.907 0.000 -0.243) 2.917 18.777 ( -2.907 0.000 0.243) 2.917 19.138 ( -2.847 0.000 -1.776) 3.356 19.138 ( -2.847 0.000 1.776) 3.356 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 -8.650 -4.476) 9.740 2.196 ( 0.000 -8.650 4.476) 9.740 2.549 ( 0.000 7.690 -8.205) 11.246 2.549 ( 0.000 7.690 8.205) 11.246 2.738 ( 0.000 6.709 -11.704) 13.490 2.738 ( 0.000 6.709 11.704) 13.490 2.988 ( 0.000 2.544 -5.064) 5.667 2.988 ( 0.000 2.544 5.064) 5.667 3.451 ( 0.000 -11.777 -6.151) 13.287 3.451 ( 0.000 -11.777 6.151) 13.287 4.216 ( 0.000 -12.161 -11.254) 16.569 4.216 ( 0.000 -12.161 11.254) 16.569 5.010 ( 0.000 20.339 -6.971) 21.500 5.010 ( 0.000 20.339 6.971) 21.500 6.165 ( 0.000 5.153 -15.699) 16.524 6.165 ( 0.000 5.153 15.699) 16.524 6.492 ( 0.000 1.943 -32.914) 32.971 6.492 ( 0.000 1.943 32.914) 32.971 6.872 ( 0.000 -4.113 -10.865) 11.618 6.872 ( 0.000 -4.113 10.865) 11.618 6.958 ( 0.000 -1.308 -16.629) 16.680 6.958 ( 0.000 -1.308 16.629) 16.680 7.251 ( 0.000 -5.258 -6.273) 8.185 7.251 ( 0.000 -5.258 6.273) 8.185 8.118 ( 0.000 10.374 -0.432) 10.383 8.118 ( 0.000 10.374 0.432) 10.383 8.880 ( 0.000 -11.607 -5.590) 12.883 8.880 ( 0.000 -11.607 5.590) 12.883 9.149 ( 0.000 -0.808 -3.587) 3.677 9.149 ( 0.000 -0.808 3.587) 3.677 9.538 ( 0.000 -1.639 -0.716) 1.789 9.538 ( 0.000 -1.639 0.716) 1.789 10.938 ( 0.000 2.465 -8.699) 9.041 10.938 ( 0.000 2.465 8.699) 9.041 11.637 ( 0.000 10.077 -2.246) 10.324 11.637 ( 0.000 10.077 2.246) 10.324 11.815 ( 0.000 -1.472 -2.406) 2.821 11.815 ( 0.000 -1.472 2.406) 2.821 12.259 ( 0.000 2.122 -14.110) 14.269 12.259 ( 0.000 2.122 14.110) 14.269 12.655 ( 0.000 1.546 -9.938) 10.058 12.655 ( 0.000 1.546 9.938) 10.058 13.513 ( 0.000 -11.878 -6.983) 13.779 13.513 ( 0.000 -11.878 6.983) 13.779 13.993 ( 0.000 12.711 -17.869) 21.929 13.993 ( 0.000 12.711 17.869) 21.929 14.714 ( 0.000 4.699 -25.999) 26.421 14.714 ( 0.000 4.699 25.999) 26.421 15.551 ( 0.000 -0.953 -19.964) 19.986 15.551 ( 0.000 -0.953 19.964) 19.986 16.467 ( 0.000 -17.886 -1.677) 17.964 16.467 ( 0.000 -17.886 1.677) 17.964 16.858 ( 0.000 -4.873 -1.677) 5.153 16.858 ( 0.000 -4.873 1.677) 5.153 17.786 ( 0.000 3.621 -1.042) 3.768 17.786 ( 0.000 3.621 1.042) 3.768 19.229 ( 0.000 2.087 -2.362) 3.152 19.229 ( 0.000 2.087 2.362) 3.152 19.533 ( 0.000 2.549 -5.307) 5.887 19.533 ( 0.000 2.549 5.307) 5.887 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.579 -7.318 -4.094) 8.405 2.205 ( 0.579 -7.318 4.094) 8.405 2.494 ( -2.252 5.496 -8.939) 10.732 2.494 ( -2.252 5.496 8.939) 10.732 2.872 ( 8.404 6.034 -6.568) 12.255 2.872 ( 8.404 6.034 6.568) 12.255 2.972 ( -0.756 3.317 -3.432) 4.832 2.972 ( -0.756 3.317 3.432) 4.832 3.432 ( -1.350 -11.467 -4.738) 12.481 3.432 ( -1.350 -11.467 4.738) 12.481 4.185 ( -2.565 -12.525 -9.506) 15.932 4.185 ( -2.565 -12.525 9.506) 15.932 5.012 ( 0.136 20.710 -6.493) 21.705 5.012 ( 0.136 20.710 6.493) 21.705 6.074 ( -7.915 4.420 -18.569) 20.664 6.074 ( -7.915 4.420 18.569) 20.664 6.381 ( -10.382 0.785 -31.891) 33.548 6.381 ( -10.382 0.785 31.891) 33.548 6.859 ( 0.856 -4.410 -6.955) 8.280 6.859 ( 0.856 -4.410 6.955) 8.280 7.043 ( 7.020 1.137 -8.931) 11.417 7.043 ( 7.020 1.137 8.931) 11.417 7.373 ( 9.603 -5.491 -7.170) 13.182 7.373 ( 9.603 -5.491 7.170) 13.182 8.039 ( -6.647 8.695 -4.063) 11.674 8.039 ( -6.647 8.695 4.063) 11.674 8.873 ( -2.409 -12.301 -1.182) 12.591 8.873 ( -2.409 -12.301 1.182) 12.591 9.216 ( 7.072 3.755 -6.507) 10.318 9.216 ( 7.072 3.755 6.507) 10.318 9.563 ( 2.800 -0.977 -1.953) 3.551 9.563 ( 2.800 -0.977 1.953) 3.551 10.987 ( 3.619 1.081 -9.287) 10.026 10.987 ( 3.619 1.081 9.287) 10.026 11.628 ( -9.772 -1.804 -3.757) 10.624 11.628 ( -9.772 -1.804 3.757) 10.624 11.734 ( 5.070 8.464 -5.047) 11.083 11.734 ( 5.070 8.464 5.047) 11.083 12.254 ( -1.291 4.562 -12.980) 13.819 12.254 ( -1.291 4.562 12.980) 13.819 12.844 ( 15.744 -0.535 -9.330) 18.309 12.844 ( 15.744 -0.535 9.330) 18.309 13.487 ( -2.479 -11.272 -7.637) 13.839 13.487 ( -2.479 -11.272 7.637) 13.839 13.942 ( -4.845 11.855 -16.319) 20.744 13.942 ( -4.845 11.855 16.319) 20.744 14.795 ( 7.567 4.434 -27.024) 28.412 14.795 ( 7.567 4.434 27.024) 28.412 15.599 ( 4.802 -0.602 -20.474) 21.039 15.599 ( 4.802 -0.602 20.474) 21.039 16.487 ( 1.958 -17.836 -1.226) 17.985 16.487 ( 1.958 -17.836 1.226) 17.985 16.848 ( -0.939 -4.246 -4.157) 6.016 16.848 ( -0.939 -4.246 4.157) 6.016 17.774 ( -1.278 2.684 -0.575) 3.028 17.774 ( -1.278 2.684 0.575) 3.028 19.184 ( -4.283 2.510 -1.832) 5.291 19.184 ( -4.283 2.510 1.832) 5.291 19.499 ( -3.301 2.822 -5.213) 6.785 19.499 ( -3.301 2.822 5.213) 6.785 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 0.133 -4.274 -5.242) 6.765 2.211 ( 0.133 -4.274 5.242) 6.765 2.469 ( -1.672 4.227 -8.648) 9.770 2.469 ( -1.672 4.227 8.648) 9.770 2.920 ( 0.181 0.063 -4.425) 4.430 2.920 ( 0.181 0.063 4.425) 4.430 3.039 ( 3.428 4.019 -8.696) 10.175 3.039 ( 3.428 4.019 8.696) 10.175 3.427 ( 1.038 -8.093 -0.734) 8.192 3.427 ( 1.038 -8.093 0.734) 8.192 4.151 ( 0.447 -14.248 -4.464) 14.938 4.151 ( 0.447 -14.248 4.464) 14.938 5.009 ( -0.503 20.748 -5.694) 21.521 5.009 ( -0.503 20.748 5.694) 21.521 5.894 ( -9.223 3.737 -19.267) 21.685 5.894 ( -9.223 3.737 19.267) 21.685 6.116 ( -14.910 0.055 -27.611) 31.380 6.116 ( -14.910 0.055 27.611) 31.380 6.923 ( 5.006 -4.278 -6.498) 9.251 6.923 ( 5.006 -4.278 6.498) 9.251 7.201 ( 7.874 4.060 -3.403) 9.490 7.201 ( 7.874 4.060 3.403) 9.490 7.543 ( 5.115 -6.467 -4.424) 9.357 7.543 ( 5.115 -6.467 4.424) 9.357 7.916 ( -3.483 8.398 -4.968) 10.360 7.916 ( -3.483 8.398 4.968) 10.360 8.772 ( -6.754 -10.561 -0.966) 12.574 8.772 ( -6.754 -10.561 0.966) 12.574 9.403 ( 10.067 8.245 -6.994) 14.773 9.403 ( 10.067 8.245 6.994) 14.773 9.659 ( 6.621 -0.546 -4.586) 8.072 9.659 ( 6.621 -0.546 4.586) 8.072 10.983 ( -6.433 -0.968 -6.127) 8.937 10.983 ( -6.433 -0.968 6.127) 8.937 11.480 ( -0.983 -6.897 -5.151) 8.665 11.480 ( -0.983 -6.897 5.151) 8.665 11.916 ( 9.990 10.169 -9.931) 17.373 11.916 ( 9.990 10.169 9.931) 17.373 12.226 ( 0.034 5.521 -8.677) 10.285 12.226 ( 0.034 5.521 8.677) 10.285 13.167 ( 13.376 -3.969 -9.249) 16.739 13.167 ( 13.376 -3.969 9.249) 16.739 13.428 ( -2.132 -7.559 -6.371) 10.113 13.428 ( -2.132 -7.559 6.371) 10.113 13.814 ( -7.297 10.284 -12.529) 17.776 13.814 ( -7.297 10.284 12.529) 17.776 14.986 ( 10.465 2.719 -25.201) 27.422 14.986 ( 10.465 2.719 25.201) 27.422 15.747 ( 9.803 0.192 -21.296) 23.445 15.747 ( 9.803 0.192 21.296) 23.445 16.540 ( 2.987 -17.297 -0.794) 17.571 16.540 ( 2.987 -17.297 0.794) 17.571 16.822 ( -1.550 -2.793 -6.831) 7.541 16.822 ( -1.550 -2.793 6.831) 7.541 17.735 ( -2.502 -0.140 -0.508) 2.557 17.735 ( -2.502 -0.140 0.508) 2.557 19.072 ( -6.294 3.957 -0.650) 7.463 19.072 ( -6.294 3.957 0.650) 7.463 19.405 ( -5.807 3.455 -4.858) 8.322 19.405 ( -5.807 3.455 4.858) 8.322 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.148 -1.323 -4.032) 4.247 2.215 ( 0.148 -1.323 4.032) 4.247 2.391 ( -5.442 5.622 -7.455) 10.807 2.391 ( -5.442 5.622 7.455) 10.807 2.958 ( 2.670 -3.744 -3.686) 5.894 2.958 ( 2.670 -3.744 3.686) 5.894 3.064 ( 0.396 -0.268 -7.059) 7.075 3.064 ( 0.396 -0.268 7.059) 7.075 3.437 ( -0.628 -2.388 -1.686) 2.990 3.437 ( -0.628 -2.388 1.686) 2.990 4.236 ( 7.488 -17.840 -1.913) 19.441 4.236 ( 7.488 -17.840 1.913) 19.441 5.004 ( 0.829 18.281 -4.129) 18.760 5.004 ( 0.829 18.281 4.129) 18.760 5.684 ( -13.465 -1.850 -16.272) 21.201 5.684 ( -13.465 -1.850 16.272) 21.201 5.846 ( -9.298 8.014 -17.472) 21.353 5.846 ( -9.298 8.014 17.472) 21.353 7.038 ( 5.788 -3.639 -4.536) 8.205 7.038 ( 5.788 -3.639 4.536) 8.205 7.339 ( 5.443 4.957 -3.958) 8.359 7.339 ( 5.443 4.957 3.958) 8.359 7.538 ( -3.911 -3.802 -4.918) 7.344 7.538 ( -3.911 -3.802 4.918) 7.344 7.942 ( 4.507 7.954 -2.956) 9.608 7.942 ( 4.507 7.954 2.956) 9.608 8.632 ( -6.548 -9.304 -0.438) 11.385 8.632 ( -6.548 -9.304 0.438) 11.385 9.584 ( 7.462 9.848 -4.732) 13.231 9.584 ( 7.462 9.848 4.732) 13.231 9.815 ( 8.286 0.186 -5.241) 9.806 9.815 ( 8.286 0.186 5.241) 9.806 10.771 ( -12.012 -3.744 -1.514) 12.673 10.771 ( -12.012 -3.744 1.514) 12.673 11.543 ( 4.526 -9.782 -6.801) 12.744 11.543 ( 4.526 -9.782 6.801) 12.744 12.033 ( 1.370 12.371 -9.362) 15.574 12.033 ( 1.370 12.371 9.362) 15.574 12.346 ( 11.723 3.672 -2.529) 12.543 12.346 ( 11.723 3.672 2.529) 12.543 13.236 ( -4.382 -9.948 -11.069) 15.514 13.236 ( -4.382 -9.948 11.069) 15.514 13.466 ( 0.747 1.055 -8.102) 8.204 13.466 ( 0.747 1.055 8.102) 8.204 13.710 ( 0.037 8.800 -2.448) 9.134 13.710 ( 0.037 8.800 2.448) 9.134 15.182 ( 8.293 -0.549 -17.666) 19.523 15.182 ( 8.293 -0.549 17.666) 19.523 15.985 ( 13.360 0.706 -20.767) 24.703 15.985 ( 13.360 0.706 20.767) 24.703 16.580 ( -0.256 -13.349 -6.547) 14.871 16.580 ( -0.256 -13.349 6.547) 14.871 16.797 ( -0.410 -3.622 -6.287) 7.267 16.797 ( -0.410 -3.622 6.287) 7.267 17.679 ( -2.830 -4.593 -1.116) 5.509 17.679 ( -2.830 -4.593 1.116) 5.509 18.952 ( -5.075 6.651 -0.444) 8.378 18.952 ( -5.075 6.651 0.444) 8.378 19.279 ( -6.239 3.941 -3.861) 8.329 19.279 ( -6.239 3.941 3.861) 8.329 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.578 4.496 -2.361) 5.111 2.210 ( -0.578 4.496 2.361) 5.111 2.303 ( -2.305 2.418 -4.806) 5.853 2.303 ( -2.305 2.418 4.806) 5.853 2.988 ( 0.449 -3.217 -2.907) 4.359 2.988 ( 0.449 -3.217 2.907) 4.359 3.078 ( 0.604 -4.906 -3.356) 5.975 3.078 ( 0.604 -4.906 3.356) 5.975 3.422 ( -0.367 1.551 -0.609) 1.706 3.422 ( -0.367 1.551 0.609) 1.706 4.379 ( 4.578 -19.762 -1.878) 20.372 4.379 ( 4.578 -19.762 1.878) 20.372 5.083 ( 7.455 11.441 -3.923) 14.208 5.083 ( 7.455 11.441 3.923) 14.208 5.375 ( -14.573 -1.563 -12.783) 19.448 5.375 ( -14.573 -1.563 12.783) 19.448 5.744 ( -2.050 13.670 -5.677) 14.943 5.744 ( -2.050 13.670 5.677) 14.943 7.129 ( 2.635 -3.198 -1.557) 4.427 7.129 ( 2.635 -3.198 1.557) 4.427 7.415 ( 2.253 0.893 -4.868) 5.438 7.415 ( 2.253 0.893 4.868) 5.438 7.464 ( -2.578 2.748 -6.554) 7.560 7.464 ( -2.578 2.748 6.554) 7.560 8.023 ( 2.493 9.136 -1.004) 9.523 8.023 ( 2.493 9.136 1.004) 9.523 8.531 ( -2.936 -10.285 -0.393) 10.703 8.531 ( -2.936 -10.285 0.393) 10.703 9.690 ( 2.805 10.582 -1.680) 11.075 9.690 ( 2.805 10.582 1.680) 11.075 9.960 ( 4.873 1.272 -2.523) 5.633 9.960 ( 4.873 1.272 2.523) 5.633 10.569 ( -6.458 -6.266 -0.399) 9.007 10.569 ( -6.458 -6.266 0.399) 9.007 11.608 ( 1.564 -11.486 -3.001) 11.974 11.608 ( 1.564 -11.486 3.001) 11.974 12.043 ( 0.265 12.790 -2.644) 13.063 12.043 ( 0.265 12.790 2.644) 13.063 12.583 ( 8.744 3.551 -2.192) 9.688 12.583 ( 8.744 3.551 2.192) 9.688 13.125 ( -4.935 -6.813 -5.424) 10.009 13.125 ( -4.935 -6.813 5.424) 10.009 13.397 ( -3.566 -0.030 -5.772) 6.785 13.397 ( -3.566 -0.030 5.772) 6.785 13.779 ( 3.071 8.230 -0.657) 8.808 13.779 ( 3.071 8.230 0.657) 8.808 15.300 ( 3.088 -3.204 -6.295) 7.709 15.300 ( 3.088 -3.204 6.295) 7.709 16.254 ( 12.162 -0.242 -17.281) 21.133 16.254 ( 12.162 -0.242 17.281) 21.133 16.497 ( -7.414 -4.667 -13.168) 15.816 16.497 ( -7.414 -4.667 13.168) 15.816 16.812 ( 1.097 -8.714 -1.931) 8.992 16.812 ( 1.097 -8.714 1.931) 8.992 17.634 ( -1.334 -8.622 -0.582) 8.744 17.634 ( -1.334 -8.622 0.582) 8.744 18.883 ( -1.728 9.564 -0.397) 9.727 18.883 ( -1.728 9.564 0.397) 9.727 19.179 ( -2.961 3.813 -1.599) 5.085 19.179 ( -2.961 3.813 1.599) 5.085 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.000 0.582 -5.593) 5.623 2.109 ( 0.000 0.582 5.593) 5.623 2.658 ( 0.000 0.846 -9.325) 9.363 2.658 ( 0.000 0.846 9.325) 9.363 2.894 ( 0.000 8.754 -14.208) 16.688 2.894 ( 0.000 8.754 14.208) 16.688 3.009 ( 0.000 0.451 -3.546) 3.574 3.009 ( 0.000 0.451 3.546) 3.574 3.224 ( 0.000 -8.892 -6.927) 11.272 3.224 ( 0.000 -8.892 6.927) 11.272 3.956 ( 0.000 -14.641 -10.928) 18.270 3.956 ( 0.000 -14.641 10.928) 18.270 5.457 ( 0.000 25.106 -6.342) 25.894 5.457 ( 0.000 25.106 6.342) 25.894 6.290 ( 0.000 7.363 -14.579) 16.333 6.290 ( 0.000 7.363 14.579) 16.333 6.549 ( 0.000 3.648 -26.704) 26.952 6.549 ( 0.000 3.648 26.704) 26.952 6.772 ( 0.000 -6.373 -8.169) 10.360 6.772 ( 0.000 -6.373 8.169) 10.360 6.905 ( 0.000 -4.160 -12.043) 12.742 6.905 ( 0.000 -4.160 12.043) 12.742 7.105 ( 0.000 -9.485 -11.790) 15.131 7.105 ( 0.000 -9.485 11.790) 15.131 8.356 ( 0.000 12.897 -1.909) 13.038 8.356 ( 0.000 12.897 1.909) 13.038 8.657 ( 0.000 -10.232 -1.430) 10.332 8.657 ( 0.000 -10.232 1.430) 10.332 9.081 ( 0.000 -5.854 -3.717) 6.934 9.081 ( 0.000 -5.854 3.717) 6.934 9.503 ( 0.000 -1.867 -0.368) 1.903 9.503 ( 0.000 -1.867 0.368) 1.903 10.998 ( 0.000 3.500 -5.650) 6.646 10.998 ( 0.000 3.500 5.650) 6.646 11.760 ( 0.000 -1.697 -2.265) 2.830 11.760 ( 0.000 -1.697 2.265) 2.830 11.899 ( 0.000 13.593 -1.735) 13.703 11.899 ( 0.000 13.593 1.735) 13.703 12.321 ( 0.000 4.232 -12.468) 13.167 12.321 ( 0.000 4.232 12.468) 13.167 12.677 ( 0.000 0.177 -7.051) 7.053 12.677 ( 0.000 0.177 7.051) 7.053 13.304 ( 0.000 -9.483 -3.014) 9.951 13.304 ( 0.000 -9.483 3.014) 9.951 14.203 ( 0.000 7.956 -20.194) 21.705 14.203 ( 0.000 7.956 20.194) 21.705 14.835 ( 0.000 8.162 -22.532) 23.965 14.835 ( 0.000 8.162 22.532) 23.965 15.549 ( 0.000 1.137 -18.737) 18.772 15.549 ( 0.000 1.137 18.737) 18.772 16.075 ( 0.000 -21.232 -4.387) 21.680 16.075 ( 0.000 -21.232 4.387) 21.680 16.722 ( 0.000 -8.481 -1.961) 8.705 16.722 ( 0.000 -8.481 1.961) 8.705 17.845 ( 0.000 2.144 -0.551) 2.214 17.845 ( 0.000 2.144 0.551) 2.214 19.272 ( 0.000 2.020 -0.963) 2.237 19.272 ( 0.000 2.020 0.963) 2.237 19.595 ( 0.000 3.475 -3.785) 5.139 19.595 ( 0.000 3.475 3.785) 5.139 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.532 1.141 -4.724) 5.480 2.137 ( 2.532 1.141 4.724) 5.480 2.584 ( -4.518 2.740 -5.699) 7.772 2.584 ( -4.518 2.740 5.699) 7.772 2.938 ( 0.961 -1.243 -2.193) 2.698 2.938 ( 0.961 -1.243 2.193) 2.698 3.052 ( 2.788 3.844 -11.385) 12.335 3.052 ( 2.788 3.844 11.385) 12.335 3.214 ( 1.121 -6.523 -3.478) 7.477 3.214 ( 1.121 -6.523 3.478) 7.477 3.931 ( -2.239 -13.621 -9.549) 16.784 3.931 ( -2.239 -13.621 9.549) 16.784 5.461 ( -0.137 24.671 -5.939) 25.376 5.461 ( -0.137 24.671 5.939) 25.376 6.183 ( -8.803 6.620 -18.401) 21.446 6.183 ( -8.803 6.620 18.401) 21.446 6.398 ( -12.621 0.662 -27.469) 30.237 6.398 ( -12.621 0.662 27.469) 30.237 6.769 ( 1.850 -5.361 -4.136) 7.020 6.769 ( 1.850 -5.361 4.136) 7.020 7.034 ( 9.647 -2.078 -11.133) 14.877 7.034 ( 9.647 -2.078 11.133) 14.877 7.241 ( 10.522 -7.613 -12.225) 17.836 7.241 ( 10.522 -7.613 12.225) 17.836 8.205 ( -10.597 6.298 -0.304) 12.331 8.205 ( -10.597 6.298 0.304) 12.331 8.662 ( -1.851 -7.693 -2.225) 8.219 8.662 ( -1.851 -7.693 2.225) 8.219 9.248 ( 14.524 0.055 -5.257) 15.446 9.248 ( 14.524 0.055 5.257) 15.446 9.540 ( 3.663 -1.349 -1.036) 4.038 9.540 ( 3.663 -1.349 1.036) 4.038 11.021 ( 1.491 2.342 -6.273) 6.860 11.021 ( 1.491 2.342 6.273) 6.860 11.571 ( -14.898 -3.451 -2.533) 15.501 11.571 ( -14.898 -3.451 2.533) 15.501 11.956 ( 6.336 13.048 -3.929) 15.028 11.956 ( 6.336 13.048 3.929) 15.028 12.374 ( 1.953 7.588 -12.025) 14.353 12.374 ( 1.953 7.588 12.025) 14.353 12.811 ( 11.933 -3.370 -9.400) 15.560 12.811 ( 11.933 -3.370 9.400) 15.560 13.293 ( -0.552 -8.431 -4.266) 9.465 13.293 ( -0.552 -8.431 4.266) 9.465 14.139 ( -5.876 7.754 -17.953) 20.420 14.139 ( -5.876 7.754 17.953) 20.420 14.902 ( 5.879 6.562 -23.135) 24.756 14.902 ( 5.879 6.562 23.135) 24.756 15.604 ( 5.444 1.499 -18.908) 19.733 15.604 ( 5.444 1.499 18.908) 19.733 16.104 ( 2.925 -20.282 -4.616) 21.005 16.104 ( 2.925 -20.282 4.616) 21.005 16.723 ( 0.103 -7.980 -3.363) 8.660 16.723 ( 0.103 -7.980 3.363) 8.660 17.812 ( -3.306 1.097 -0.356) 3.502 17.812 ( -3.306 1.097 0.356) 3.502 19.237 ( -3.212 2.632 -0.846) 4.238 19.237 ( -3.212 2.632 0.846) 4.238 19.566 ( -2.846 3.672 -3.673) 5.922 19.566 ( -2.846 3.672 3.673) 5.922 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.637 2.884 -3.992) 5.587 2.193 ( 2.637 2.884 3.992) 5.587 2.524 ( -1.675 1.533 -6.000) 6.415 2.524 ( -1.675 1.533 6.000) 6.415 2.923 ( -2.076 -0.436 -5.490) 5.886 2.923 ( -2.076 -0.436 5.490) 5.886 3.027 ( -2.875 -7.520 -8.664) 11.827 3.027 ( -2.875 -7.520 8.664) 11.827 3.321 ( 6.733 0.379 -3.250) 7.485 3.321 ( 6.733 0.379 3.250) 7.485 3.891 ( -0.731 -12.081 -5.376) 13.243 3.891 ( -0.731 -12.081 5.376) 13.243 5.419 ( -4.538 19.968 -6.809) 21.580 5.419 ( -4.538 19.968 6.809) 21.580 5.971 ( -13.902 2.617 -16.904) 22.042 5.971 ( -13.902 2.617 16.904) 22.042 6.155 ( -7.564 6.383 -19.753) 22.094 6.155 ( -7.564 6.383 19.753) 22.094 6.857 ( 6.348 -3.091 -3.345) 7.813 6.857 ( 6.348 -3.091 3.345) 7.813 7.218 ( 7.624 -2.514 -7.906) 11.267 7.218 ( 7.624 -2.514 7.906) 11.267 7.446 ( 8.598 -3.642 -7.599) 12.039 7.446 ( 8.598 -3.642 7.599) 12.039 8.030 ( -5.367 1.888 -1.586) 5.906 8.030 ( -5.367 1.888 1.586) 5.906 8.581 ( -5.651 -7.117 -2.369) 9.391 8.581 ( -5.651 -7.117 2.369) 9.391 9.566 ( 14.812 7.641 -2.608) 16.869 9.566 ( 14.812 7.641 2.608) 16.869 9.651 ( 7.765 0.027 -3.911) 8.694 9.651 ( 7.765 0.027 3.911) 8.694 10.976 ( -8.928 0.846 -4.693) 10.122 10.976 ( -8.928 0.846 4.693) 10.122 11.328 ( -5.473 -8.608 -3.084) 10.657 11.328 ( -5.473 -8.608 3.084) 10.657 12.141 ( 11.346 12.080 -7.161) 18.053 12.141 ( 11.346 12.080 7.161) 18.053 12.375 ( -1.015 9.895 -5.943) 11.587 12.375 ( -1.015 9.895 5.943) 11.587 13.025 ( 5.397 -10.543 -9.956) 15.473 13.025 ( 5.397 -10.543 9.956) 15.473 13.340 ( 7.128 -1.934 -3.277) 8.080 13.340 ( 7.128 -1.934 3.277) 8.080 13.992 ( -7.910 7.611 -13.908) 17.718 13.992 ( -7.910 7.611 13.908) 17.718 15.031 ( 6.048 1.383 -20.796) 21.702 15.031 ( 6.048 1.382 20.796) 21.702 15.767 ( 10.499 2.195 -18.880) 21.714 15.767 ( 10.499 2.195 18.880) 21.714 16.189 ( 5.313 -17.343 -4.355) 18.654 16.189 ( 5.313 -17.343 4.355) 18.654 16.726 ( 0.240 -6.387 -5.630) 8.518 16.726 ( 0.240 -6.387 5.630) 8.518 17.711 ( -6.568 -2.053 -0.828) 6.931 17.711 ( -6.568 -2.053 0.828) 6.931 19.158 ( -4.106 4.355 -1.071) 6.081 19.158 ( -4.106 4.355 1.071) 6.081 19.483 ( -5.189 4.170 -3.336) 7.446 19.483 ( -5.189 4.170 3.336) 7.446 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 2.594 4.437 -4.449) 6.798 2.244 ( 2.594 4.437 4.449) 6.798 2.479 ( -3.525 3.371 -6.494) 8.122 2.479 ( -3.525 3.371 6.494) 8.122 2.883 ( -0.941 -4.391 -7.903) 9.090 2.883 ( -0.941 -4.391 7.903) 9.090 2.991 ( -1.251 -7.105 -9.613) 12.018 2.991 ( -1.251 -7.105 9.613) 12.018 3.419 ( 3.093 0.969 -2.524) 4.108 3.419 ( 3.093 0.969 2.524) 4.108 3.929 ( 4.226 -13.501 -1.548) 14.232 3.929 ( 4.226 -13.501 1.548) 14.232 5.298 ( -6.198 11.366 -7.762) 15.095 5.298 ( -6.198 11.366 7.762) 15.095 5.637 ( -17.075 -2.910 -16.409) 23.859 5.637 ( -17.075 -2.910 16.409) 23.859 6.112 ( 1.036 19.930 -11.855) 23.212 6.112 ( 1.036 19.930 11.855) 23.212 6.997 ( 6.726 -1.215 -1.911) 7.097 6.997 ( 6.726 -1.215 1.911) 7.097 7.317 ( 2.262 -4.587 -4.772) 6.995 7.317 ( 2.262 -4.587 4.772) 6.995 7.562 ( 3.114 2.308 -6.722) 7.760 7.562 ( 3.114 2.308 6.722) 7.760 8.017 ( 3.710 -1.595 -4.081) 5.741 8.017 ( 3.710 -1.595 4.081) 5.741 8.450 ( -7.059 -6.874 -2.296) 10.117 8.450 ( -7.059 -6.874 2.296) 10.117 9.781 ( 8.831 4.004 -1.859) 9.873 9.781 ( 8.831 4.004 1.859) 9.873 9.873 ( 11.145 11.270 -5.234) 16.692 9.873 ( 11.145 11.270 5.234) 16.692 10.701 ( -15.320 -2.672 -1.249) 15.601 10.701 ( -15.320 -2.672 1.249) 15.601 11.316 ( 1.359 -13.536 -5.644) 14.728 11.316 ( 1.359 -13.536 5.644) 14.728 12.305 ( 0.809 14.781 -7.366) 16.535 12.305 ( 0.809 14.781 7.366) 16.535 12.446 ( 12.116 6.782 -0.773) 13.906 12.446 ( 12.116 6.782 0.773) 13.906 13.028 ( -2.819 -11.670 -9.522) 15.323 13.028 ( -2.819 -11.670 9.522) 15.323 13.477 ( 0.791 0.368 -5.922) 5.986 13.477 ( 0.791 0.368 5.922) 5.986 13.896 ( 1.327 9.861 -6.840) 12.074 13.896 ( 1.327 9.861 6.840) 12.074 15.123 ( 2.895 -6.420 -14.122) 15.780 15.123 ( 2.895 -6.420 14.122) 15.780 16.008 ( 12.579 1.693 -16.734) 21.003 16.008 ( 12.579 1.693 16.734) 21.003 16.301 ( 5.142 -12.943 -2.660) 14.179 16.301 ( 5.142 -12.943 2.660) 14.179 16.731 ( 0.188 -3.187 -7.463) 8.117 16.731 ( 0.188 -3.187 7.463) 8.117 17.557 ( -8.180 -7.211 -1.161) 10.967 17.557 ( -8.180 -7.211 1.161) 10.967 19.092 ( -2.114 6.819 -1.328) 7.261 19.092 ( -2.114 6.819 1.328) 7.261 19.366 ( -6.110 4.555 -2.645) 8.067 19.366 ( -6.110 4.555 2.645) 8.067 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 3.513 5.407 -6.014) 8.818 2.304 ( 3.513 5.407 6.014) 8.818 2.391 ( -4.574 6.472 -7.206) 10.712 2.391 ( -4.574 6.472 7.206) 10.712 2.891 ( 1.222 -6.982 -6.249) 9.449 2.891 ( 1.222 -6.982 6.249) 9.449 2.956 ( -1.973 -7.494 -6.719) 10.257 2.956 ( -1.973 -7.494 6.719) 10.257 3.468 ( 1.668 3.359 -0.525) 3.787 3.468 ( 1.668 3.359 0.525) 3.787 4.016 ( 3.044 -17.143 -1.717) 17.495 4.016 ( 3.044 -17.143 1.717) 17.495 5.225 ( 0.225 4.177 -2.770) 5.017 5.225 ( 0.225 4.177 2.770) 5.017 5.343 ( -10.820 -1.683 -9.410) 14.438 5.343 ( -10.820 -1.683 9.410) 14.438 6.140 ( 1.037 26.397 -4.230) 26.754 6.140 ( 1.037 26.397 4.230) 26.754 7.097 ( 2.632 -0.720 -0.632) 2.801 7.097 ( 2.632 -0.720 0.632) 2.801 7.336 ( 0.333 -3.681 -1.338) 3.931 7.336 ( 0.333 -3.681 1.338) 3.931 7.595 ( 0.581 3.165 -4.072) 5.190 7.595 ( 0.581 3.165 4.072) 5.190 8.132 ( 6.400 -0.403 -1.806) 6.662 8.132 ( 6.400 -0.403 1.806) 6.662 8.306 ( -6.777 -8.908 -1.517) 11.295 8.306 ( -6.777 -8.908 1.517) 11.295 9.947 ( 6.282 9.010 -0.680) 11.005 9.947 ( 6.282 9.010 0.680) 11.005 10.037 ( 4.797 13.157 -1.791) 14.119 10.037 ( 4.797 13.157 1.791) 14.119 10.432 ( -9.560 -7.104 -0.232) 11.912 10.432 ( -9.560 -7.104 0.232) 11.912 11.336 ( 0.417 -17.056 -2.749) 17.281 11.336 ( 0.417 -17.056 2.749) 17.281 12.302 ( -0.123 13.271 -1.465) 13.352 12.302 ( -0.123 13.271 1.465) 13.352 12.701 ( 10.062 8.923 -4.011) 14.034 12.701 ( 10.062 8.923 4.011) 14.034 12.960 ( -3.227 -9.794 -5.235) 11.564 12.960 ( -3.227 -9.794 5.235) 11.564 13.375 ( -6.120 -2.467 -5.218) 8.412 13.375 ( -6.120 -2.467 5.218) 8.412 13.997 ( 4.520 14.182 -1.872) 15.002 13.997 ( 4.520 14.182 1.872) 15.002 15.154 ( 0.543 -13.088 -5.080) 14.050 15.154 ( 0.544 -13.088 5.080) 14.050 16.227 ( 7.674 -2.478 -9.546) 12.496 16.227 ( 7.674 -2.478 9.546) 12.496 16.366 ( 0.790 -6.935 -2.723) 7.492 16.366 ( 0.790 -6.935 2.723) 7.492 16.733 ( -0.003 1.324 -4.717) 4.899 16.733 ( -0.002 1.324 4.717) 4.899 17.419 ( -4.371 -12.944 -0.507) 13.672 17.419 ( -4.371 -12.944 0.507) 13.672 19.077 ( 0.318 9.450 -0.758) 9.486 19.077 ( 0.318 9.450 0.758) 9.486 19.260 ( -3.587 3.970 -1.226) 5.489 19.260 ( -3.587 3.970 1.226) 5.489 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 11.018 -7.117) 13.117 2.226 ( 0.000 11.018 7.117) 13.117 2.501 ( 0.000 -14.271 -10.491) 17.713 2.501 ( 0.000 -14.271 10.491) 17.713 2.979 ( 0.000 2.318 -6.637) 7.030 2.979 ( 0.000 2.318 6.637) 7.030 3.131 ( 0.000 -1.647 -6.948) 7.140 3.131 ( 0.000 -1.647 6.948) 7.140 3.154 ( 0.000 9.236 -7.926) 12.171 3.154 ( 0.000 9.236 7.926) 12.171 3.689 ( 0.000 -11.215 -8.011) 13.782 3.689 ( 0.000 -11.215 8.011) 13.782 5.897 ( 0.000 17.482 -3.431) 17.816 5.897 ( 0.000 17.482 3.431) 17.816 6.414 ( 0.000 3.986 -10.126) 10.882 6.414 ( 0.000 3.986 10.126) 10.882 6.585 ( 0.000 -1.460 -1.439) 2.050 6.585 ( 0.000 -1.460 1.439) 2.050 6.637 ( 0.000 -5.801 -0.545) 5.827 6.637 ( 0.000 -5.801 0.545) 5.827 6.837 ( 0.000 -0.646 -10.490) 10.510 6.837 ( 0.000 -0.646 10.490) 10.510 6.934 ( 0.000 -7.024 -20.414) 21.589 6.934 ( 0.000 -7.024 20.414) 21.589 8.465 ( 0.000 -2.505 -2.348) 3.434 8.465 ( 0.000 -2.505 2.348) 3.434 8.626 ( 0.000 7.087 -1.684) 7.285 8.626 ( 0.000 7.087 1.684) 7.285 8.954 ( 0.000 -6.053 -1.915) 6.348 8.954 ( 0.000 -6.053 1.915) 6.348 9.475 ( 0.000 -0.844 -0.102) 0.850 9.475 ( 0.000 -0.844 0.102) 0.850 11.053 ( 0.000 1.710 -1.971) 2.609 11.053 ( 0.000 1.710 1.971) 2.609 11.725 ( 0.000 -1.171 -0.644) 1.336 11.725 ( 0.000 -1.171 0.644) 1.336 12.127 ( 0.000 7.765 -1.446) 7.898 12.127 ( 0.000 7.765 1.446) 7.898 12.401 ( 0.000 3.221 -4.998) 5.946 12.401 ( 0.000 3.221 4.998) 5.946 12.653 ( 0.000 -2.080 -2.646) 3.366 12.653 ( 0.000 -2.080 2.646) 3.366 13.174 ( 0.000 -3.605 -0.553) 3.647 13.174 ( 0.000 -3.605 0.553) 3.647 14.276 ( 0.000 0.681 -9.249) 9.274 14.276 ( 0.000 0.681 9.249) 9.274 15.019 ( 0.000 8.962 -10.476) 13.787 15.019 ( 0.000 8.962 10.476) 13.787 15.568 ( 0.000 -1.337 -16.981) 17.033 15.568 ( 0.000 -1.337 16.981) 17.033 15.741 ( 0.000 -9.941 -9.978) 14.085 15.741 ( 0.000 -9.941 9.978) 14.085 16.581 ( 0.000 -4.764 -0.756) 4.824 16.581 ( 0.000 -4.764 0.756) 4.824 17.869 ( 0.000 0.534 -0.131) 0.550 17.869 ( 0.000 0.534 0.131) 0.550 19.299 ( 0.000 0.745 -0.230) 0.780 19.299 ( 0.000 0.745 0.230) 0.780 19.647 ( 0.000 1.595 -1.330) 2.077 19.647 ( 0.000 1.595 1.330) 2.077 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 2.566 10.342 -6.556) 12.511 2.254 ( 2.566 10.342 6.556) 12.511 2.501 ( -0.044 -11.319 -9.547) 14.808 2.501 ( -0.044 -11.319 9.547) 14.808 2.921 ( -4.036 2.280 -10.693) 11.655 2.921 ( -4.036 2.280 10.693) 11.655 3.022 ( -5.967 -3.655 -7.913) 10.563 3.022 ( -5.967 -3.655 7.913) 10.563 3.281 ( 6.526 6.788 -5.755) 11.036 3.281 ( 6.526 6.788 5.755) 11.036 3.695 ( 0.558 -9.348 -6.993) 11.687 3.695 ( 0.558 -9.348 6.993) 11.687 5.871 ( -4.091 14.644 -3.370) 15.573 5.871 ( -4.091 14.644 3.370) 15.573 6.310 ( -11.315 5.025 -13.521) 18.332 6.310 ( -11.315 5.025 13.521) 18.332 6.412 ( -9.570 2.768 -16.172) 18.994 6.412 ( -9.570 2.768 16.172) 18.994 6.620 ( 3.622 -10.354 -2.304) 11.209 6.620 ( 3.622 -10.354 2.304) 11.209 6.990 ( 9.312 -1.419 -10.429) 14.053 6.990 ( 9.312 -1.419 10.429) 14.053 7.124 ( 13.926 -3.635 -10.947) 18.082 7.124 ( 13.926 -3.635 10.947) 18.082 8.232 ( -14.335 -1.426 -1.270) 14.462 8.232 ( -14.335 -1.426 1.270) 14.462 8.621 ( -2.941 1.227 -2.510) 4.056 8.621 ( -2.941 1.227 2.510) 4.056 9.237 ( 21.655 -0.660 -2.317) 21.789 9.237 ( 21.655 -0.660 2.317) 21.789 9.518 ( 4.113 -0.747 -0.323) 4.193 9.518 ( 4.113 -0.747 0.323) 4.193 11.062 ( 0.625 1.492 -2.317) 2.826 11.062 ( 0.625 1.492 2.317) 2.826 11.516 ( -17.194 -1.776 -0.804) 17.305 11.516 ( -17.194 -1.776 0.804) 17.305 12.170 ( 4.983 7.408 -1.107) 8.996 12.170 ( 4.983 7.408 1.107) 8.996 12.517 ( 6.847 6.179 -6.317) 11.179 12.517 ( 6.847 6.179 6.317) 11.179 12.715 ( 5.452 -5.548 -5.982) 9.812 12.715 ( 5.452 -5.548 5.982) 9.812 13.183 ( 2.223 -2.886 -2.010) 4.161 13.183 ( 2.223 -2.886 2.010) 4.161 14.219 ( -5.349 1.198 -8.684) 10.269 14.219 ( -5.349 1.198 8.684) 10.269 15.035 ( 1.086 5.868 -10.494) 12.072 15.035 ( 1.086 5.868 10.494) 12.072 15.642 ( 6.981 1.046 -17.862) 19.207 15.642 ( 6.981 1.046 17.862) 19.207 15.789 ( 4.844 -9.995 -12.121) 16.440 15.789 ( 4.844 -9.995 12.121) 16.440 16.589 ( 0.851 -4.535 -1.350) 4.808 16.589 ( 0.851 -4.535 1.350) 4.808 17.821 ( -4.783 0.104 -0.165) 4.787 17.821 ( -4.783 0.104 0.165) 4.787 19.274 ( -2.331 1.019 -0.368) 2.570 19.274 ( -2.331 1.019 0.368) 2.570 19.621 ( -2.610 1.656 -1.295) 3.351 19.621 ( -2.610 1.656 1.295) 3.351 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 3.022 8.794 -5.056) 10.585 2.315 ( 3.022 8.794 5.056) 10.585 2.500 ( 0.145 -5.154 -6.638) 8.405 2.500 ( 0.145 -5.154 6.638) 8.405 2.854 ( -3.577 -5.561 -8.535) 10.797 2.854 ( -3.577 -5.561 8.535) 10.797 2.907 ( -3.856 -1.510 -6.500) 7.707 2.907 ( -3.856 -1.510 6.500) 7.707 3.387 ( 3.874 3.659 -4.065) 6.703 3.387 ( 3.874 3.659 4.065) 6.703 3.712 ( 1.250 -5.905 -3.815) 7.140 3.712 ( 1.250 -5.905 3.815) 7.140 5.694 ( -12.260 7.751 -6.270) 15.801 5.694 ( -12.260 7.751 6.270) 15.801 5.969 ( -19.677 -1.424 -10.170) 22.196 5.969 ( -19.677 -1.424 10.170) 22.196 6.390 ( 5.249 14.928 -8.537) 17.980 6.390 ( 5.249 14.928 8.537) 17.980 6.758 ( 8.883 -8.101 -2.047) 12.196 6.758 ( 8.883 -8.101 2.047) 12.196 7.146 ( 5.923 -3.046 -5.627) 8.719 7.146 ( 5.923 -3.046 5.627) 8.719 7.395 ( 11.654 -1.600 -4.597) 12.630 7.395 ( 11.654 -1.600 4.597) 12.630 7.995 ( -8.244 -2.884 -1.409) 8.847 7.995 ( -8.244 -2.884 1.409) 8.847 8.530 ( -5.666 0.108 -1.864) 5.966 8.530 ( -5.666 0.108 1.864) 5.966 9.629 ( 7.554 0.181 -1.705) 7.746 9.629 ( 7.554 0.181 1.705) 7.746 9.698 ( 21.886 3.009 -3.186) 22.321 9.698 ( 21.886 3.009 3.186) 22.321 11.029 ( -8.485 4.682 -2.902) 10.116 11.029 ( -8.485 4.682 2.902) 10.116 11.166 ( -12.166 -7.819 -0.302) 14.465 11.166 ( -12.166 -7.819 0.302) 14.465 12.328 ( 10.442 6.196 -2.003) 12.306 12.328 ( 10.442 6.196 2.003) 12.306 12.585 ( 0.004 11.273 -2.177) 11.481 12.585 ( 0.004 11.273 2.177) 11.481 12.803 ( 2.043 -11.837 -5.511) 13.216 12.803 ( 2.043 -11.837 5.511) 13.216 13.324 ( 11.309 -0.239 -1.519) 11.413 13.324 ( 11.309 -0.239 1.519) 11.413 14.085 ( -6.808 2.158 -7.563) 10.402 14.085 ( -6.808 2.158 7.563) 10.402 15.038 ( -1.286 -0.200 -8.800) 8.896 15.038 ( -1.286 -0.200 8.800) 8.896 15.828 ( 10.847 3.864 -18.476) 21.770 15.828 ( 10.847 3.864 18.476) 21.770 15.935 ( 9.294 -8.665 -14.120) 18.996 15.935 ( 9.294 -8.665 14.120) 18.996 16.618 ( 2.104 -3.729 -2.349) 4.884 16.618 ( 2.104 -3.729 2.349) 4.884 17.676 ( -9.532 -1.179 -0.437) 9.614 17.676 ( -9.532 -1.179 0.437) 9.614 19.219 ( -2.622 1.720 -0.608) 3.195 19.219 ( -2.622 1.720 0.608) 3.195 19.545 ( -4.832 1.823 -1.178) 5.297 19.545 ( -4.832 1.823 1.178) 5.297 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 2.641 7.369 -4.119) 8.846 2.370 ( 2.641 7.369 4.119) 8.846 2.512 ( 0.709 -0.369 -3.561) 3.649 2.512 ( 0.709 -0.369 3.561) 3.649 2.765 ( -3.659 -6.858 -4.202) 8.836 2.765 ( -3.659 -6.858 4.202) 8.836 2.876 ( -1.359 -2.925 -3.410) 4.694 2.876 ( -1.359 -2.925 3.410) 4.694 3.456 ( 3.866 1.940 -1.922) 4.733 3.456 ( 3.866 1.940 1.922) 4.733 3.744 ( 1.540 -5.400 -0.424) 5.631 3.744 ( 1.540 -5.400 0.424) 5.631 5.443 ( -11.430 4.290 -8.035) 14.616 5.443 ( -11.430 4.290 8.035) 14.616 5.581 ( -17.503 -2.456 -10.748) 20.686 5.581 ( -17.503 -2.456 10.748) 20.686 6.540 ( 8.232 21.103 -6.713) 23.625 6.540 ( 8.232 21.103 6.713) 23.625 6.941 ( 8.333 -6.419 -1.971) 10.702 6.941 ( 8.333 -6.419 1.971) 10.702 7.230 ( 2.767 -3.608 -4.371) 6.307 7.230 ( 2.767 -3.608 4.371) 6.307 7.532 ( 0.851 -3.937 -4.494) 6.035 7.532 ( 0.850 -3.937 4.494) 6.035 7.943 ( 3.585 -2.775 -2.163) 5.023 7.943 ( 3.585 -2.775 2.163) 5.023 8.401 ( -6.961 -0.067 -1.783) 7.186 8.401 ( -6.961 -0.067 1.783) 7.186 9.798 ( 9.620 0.106 -0.857) 9.659 9.798 ( 9.620 0.106 0.857) 9.659 10.107 ( 17.617 8.307 -2.011) 19.581 10.107 ( 17.617 8.307 2.011) 19.581 10.701 ( -17.794 2.663 -1.389) 18.046 10.701 ( -17.794 2.663 1.389) 18.046 11.061 ( -4.050 -10.923 -2.638) 11.944 11.061 ( -4.050 -10.923 2.638) 11.944 12.546 ( 1.216 9.567 -2.883) 10.065 12.546 ( 1.216 9.567 2.883) 10.065 12.589 ( 10.811 6.560 -5.552) 13.810 12.589 ( 10.811 6.560 5.552) 13.810 12.806 ( -0.887 -10.703 -5.907) 12.257 12.806 ( -0.887 -10.703 5.907) 12.257 13.481 ( -1.094 -0.012 -2.550) 2.775 13.481 ( -1.094 -0.012 2.550) 2.775 14.054 ( 7.367 5.484 -5.384) 10.646 14.054 ( 7.367 5.484 5.384) 10.646 14.970 ( -5.581 -6.753 -6.390) 10.844 14.970 ( -5.581 -6.753 6.390) 10.844 16.049 ( 10.202 2.417 -11.257) 15.383 16.049 ( 10.202 2.417 11.257) 15.383 16.132 ( 9.216 -5.053 -7.965) 13.188 16.132 ( 9.216 -5.053 7.965) 13.188 16.684 ( 4.874 -1.406 -3.306) 6.055 16.684 ( 4.874 -1.406 3.306) 6.055 17.445 ( -13.005 -3.547 -0.601) 13.493 17.445 ( -13.005 -3.547 0.601) 13.493 19.185 ( -0.405 2.595 -0.684) 2.714 19.185 ( -0.405 2.595 0.684) 2.714 19.432 ( -6.079 1.964 -0.947) 6.459 19.432 ( -6.079 1.964 0.947) 6.459 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 2.842 6.820 -3.538) 8.192 2.428 ( 2.842 6.820 3.538) 8.192 2.508 ( -1.349 4.025 -2.603) 4.980 2.508 ( -1.349 4.025 2.603) 4.980 2.741 ( 1.452 -7.003 -5.072) 8.768 2.741 ( 1.452 -7.003 5.072) 8.768 2.819 ( -3.863 -5.580 -4.364) 8.069 2.819 ( -3.863 -5.580 4.364) 8.069 3.551 ( 4.339 4.957 -0.470) 6.605 3.551 ( 4.339 4.957 0.470) 6.605 3.753 ( -0.664 -9.696 -0.729) 9.746 3.753 ( -0.664 -9.696 0.729) 9.746 5.276 ( -4.064 1.624 -4.052) 5.964 5.276 ( -4.064 1.624 4.052) 5.965 5.314 ( -8.022 -1.335 -6.113) 10.174 5.314 ( -8.022 -1.335 6.113) 10.174 6.676 ( 4.173 26.893 -3.190) 27.401 6.676 ( 4.173 26.893 3.190) 27.401 7.053 ( 2.233 -6.761 -1.729) 7.327 7.053 ( 2.233 -6.761 1.729) 7.327 7.290 ( 3.338 -1.192 -1.965) 4.053 7.290 ( 3.338 -1.192 1.965) 4.053 7.481 ( -3.632 -11.428 -3.268) 12.428 7.481 ( -3.632 -11.428 3.268) 12.428 8.079 ( 7.994 -0.460 -0.687) 8.036 8.079 ( 7.994 -0.460 0.687) 8.036 8.253 ( -7.581 -0.572 -1.358) 7.723 8.253 ( -7.581 -0.572 1.358) 7.723 10.014 ( 11.289 1.698 -0.716) 11.438 10.014 ( 11.289 1.698 0.716) 11.438 10.294 ( -6.987 -1.273 -2.124) 7.412 10.294 ( -6.987 -1.273 2.124) 7.412 10.460 ( 1.268 19.411 -2.264) 19.584 10.460 ( 1.268 19.411 2.264) 19.584 10.969 ( -3.946 -19.887 -1.773) 20.352 10.969 ( -3.946 -19.887 1.773) 20.352 12.531 ( -0.388 10.957 -0.852) 10.997 12.531 ( -0.388 10.957 0.853) 10.997 12.741 ( -0.155 -9.992 -1.108) 10.054 12.741 ( -0.155 -9.992 1.108) 10.054 12.913 ( 12.763 7.778 -2.498) 15.154 12.913 ( 12.763 7.778 2.498) 15.154 13.304 ( -12.032 -4.037 -3.341) 13.123 13.304 ( -12.032 -4.037 3.341) 13.123 14.299 ( 11.264 15.713 -2.802) 19.536 14.299 ( 11.264 15.713 2.802) 19.536 14.829 ( -6.827 -17.599 -3.410) 19.182 14.829 ( -6.827 -17.599 3.410) 19.182 16.204 ( 4.425 0.799 -3.171) 5.502 16.204 ( 4.425 0.799 3.171) 5.502 16.265 ( 3.313 -3.978 -3.257) 6.117 16.265 ( 3.313 -3.978 3.257) 6.117 16.821 ( 7.710 5.858 -2.148) 9.918 16.821 ( 7.710 5.858 2.148) 9.918 17.184 ( -11.069 -9.623 -0.465) 14.675 17.184 ( -11.070 -9.623 0.465) 14.675 19.209 ( 2.615 3.804 -0.505) 4.643 19.209 ( 2.615 3.804 0.505) 4.643 19.313 ( -5.169 1.431 -0.589) 5.396 19.313 ( -5.169 1.431 0.589) 5.396 =================== 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 3/37800 10.0 4470.456 5832.716 5139.314 0.000 0.000 0.000 3/37800 20.0 721.471 652.437 611.518 0.000 0.000 -0.000 3/37800 30.0 275.538 249.416 239.624 0.000 0.000 -0.000 3/37800 40.0 145.066 135.523 129.275 0.000 0.000 -0.000 3/37800 50.0 89.531 86.286 81.548 0.000 0.000 -0.000 3/37800 60.0 61.302 60.596 56.893 0.000 0.000 -0.000 3/37800 70.0 45.166 45.496 42.565 0.000 0.000 -0.000 3/37800 80.0 35.105 35.841 33.486 0.000 0.000 -0.000 3/37800 90.0 28.394 29.266 27.338 0.000 0.000 -0.000 3/37800 100.0 23.674 24.568 22.957 0.000 0.000 -0.000 3/37800 110.0 20.213 21.080 19.707 0.000 0.000 -0.000 3/37800 120.0 17.587 18.410 17.218 0.000 0.000 -0.000 3/37800 130.0 15.540 16.313 15.263 0.000 0.000 -0.000 3/37800 140.0 13.906 14.632 13.692 0.000 0.000 -0.000 3/37800 150.0 12.576 13.258 12.408 0.000 0.000 -0.000 3/37800 160.0 11.476 12.117 11.341 0.000 0.000 -0.000 3/37800 170.0 10.553 11.157 10.442 0.000 0.000 -0.000 3/37800 180.0 9.768 10.340 9.677 0.000 0.000 -0.000 3/37800 190.0 9.093 9.635 9.017 0.000 0.000 -0.000 3/37800 200.0 8.507 9.023 8.443 0.000 0.000 -0.000 3/37800 210.0 7.993 8.485 7.940 0.000 0.000 -0.000 3/37800 220.0 7.540 8.010 7.495 0.000 0.000 -0.000 3/37800 230.0 7.137 7.587 7.098 0.000 0.000 -0.000 3/37800 240.0 6.776 7.207 6.743 0.000 0.000 -0.000 3/37800 250.0 6.451 6.866 6.423 0.000 0.000 -0.000 3/37800 260.0 6.157 6.556 6.133 0.000 0.000 -0.000 3/37800 270.0 5.890 6.274 5.870 0.000 0.000 -0.000 3/37800 280.0 5.645 6.016 5.628 0.000 0.000 -0.000 3/37800 290.0 5.421 5.779 5.407 0.000 0.000 -0.000 3/37800 300.0 5.215 5.561 5.203 0.000 0.000 -0.000 3/37800 310.0 5.024 5.360 5.014 0.000 0.000 -0.000 3/37800 320.0 4.847 5.173 4.839 0.000 0.000 -0.000 3/37800 330.0 4.683 4.999 4.676 0.000 0.000 -0.000 3/37800 340.0 4.530 4.836 4.525 0.000 0.000 -0.000 3/37800 350.0 4.387 4.685 4.383 0.000 0.000 -0.000 3/37800 360.0 4.253 4.543 4.250 0.000 0.000 -0.000 3/37800 370.0 4.127 4.409 4.125 0.000 0.000 -0.000 3/37800 380.0 4.009 4.283 4.007 0.000 0.000 -0.000 3/37800 390.0 3.897 4.165 3.897 0.000 0.000 -0.000 3/37800 400.0 3.792 4.053 3.792 0.000 0.000 -0.000 3/37800 410.0 3.692 3.947 3.693 0.000 0.000 -0.000 3/37800 420.0 3.598 3.847 3.599 0.000 0.000 -0.000 3/37800 430.0 3.508 3.751 3.510 0.000 0.000 -0.000 3/37800 440.0 3.423 3.661 3.425 0.000 0.000 -0.000 3/37800 450.0 3.342 3.575 3.345 0.000 0.000 -0.000 3/37800 460.0 3.265 3.493 3.268 0.000 0.000 -0.000 3/37800 470.0 3.191 3.414 3.195 0.000 0.000 -0.000 3/37800 480.0 3.121 3.340 3.125 0.000 0.000 -0.000 3/37800 490.0 3.054 3.268 3.058 0.000 0.000 -0.000 3/37800 500.0 2.990 3.200 2.994 0.000 0.000 -0.000 3/37800 510.0 2.928 3.134 2.933 0.000 0.000 -0.000 3/37800 520.0 2.869 3.071 2.874 0.000 0.000 -0.000 3/37800 530.0 2.812 3.011 2.817 0.000 0.000 -0.000 3/37800 540.0 2.758 2.953 2.763 0.000 0.000 -0.000 3/37800 550.0 2.706 2.897 2.711 0.000 0.000 -0.000 3/37800 560.0 2.655 2.843 2.661 0.000 0.000 -0.000 3/37800 570.0 2.607 2.791 2.612 0.000 0.000 -0.000 3/37800 580.0 2.560 2.742 2.566 0.000 0.000 -0.000 3/37800 590.0 2.515 2.694 2.521 0.000 0.000 -0.000 3/37800 600.0 2.472 2.647 2.477 0.000 0.000 -0.000 3/37800 610.0 2.430 2.602 2.436 0.000 0.000 -0.000 3/37800 620.0 2.389 2.559 2.395 0.000 0.000 -0.000 3/37800 630.0 2.350 2.517 2.356 0.000 0.000 -0.000 3/37800 640.0 2.312 2.477 2.318 0.000 0.000 -0.000 3/37800 650.0 2.276 2.438 2.282 0.000 0.000 -0.000 3/37800 660.0 2.240 2.400 2.246 0.000 0.000 -0.000 3/37800 670.0 2.206 2.363 2.212 0.000 0.000 -0.000 3/37800 680.0 2.172 2.327 2.178 0.000 0.000 -0.000 3/37800 690.0 2.140 2.293 2.146 0.000 0.000 -0.000 3/37800 700.0 2.109 2.259 2.115 0.000 0.000 -0.000 3/37800 710.0 2.078 2.227 2.084 0.000 0.000 -0.000 3/37800 720.0 2.049 2.195 2.055 0.000 0.000 -0.000 3/37800 730.0 2.020 2.164 2.026 0.000 0.000 -0.000 3/37800 740.0 1.992 2.134 1.998 0.000 0.000 -0.000 3/37800 750.0 1.965 2.105 1.971 0.000 0.000 -0.000 3/37800 760.0 1.938 2.077 1.944 0.000 0.000 -0.000 3/37800 770.0 1.913 2.050 1.919 0.000 0.000 -0.000 3/37800 780.0 1.888 2.023 1.894 0.000 0.000 -0.000 3/37800 790.0 1.863 1.997 1.869 0.000 0.000 -0.000 3/37800 800.0 1.840 1.971 1.845 0.000 0.000 -0.000 3/37800 810.0 1.816 1.947 1.822 0.000 0.000 -0.000 3/37800 820.0 1.794 1.922 1.800 0.000 0.000 -0.000 3/37800 830.0 1.772 1.899 1.778 0.000 0.000 -0.000 3/37800 840.0 1.750 1.876 1.756 0.000 0.000 -0.000 3/37800 850.0 1.729 1.853 1.735 0.000 0.000 -0.000 3/37800 860.0 1.709 1.832 1.715 0.000 0.000 -0.000 3/37800 870.0 1.689 1.810 1.695 0.000 0.000 -0.000 3/37800 880.0 1.669 1.789 1.675 0.000 0.000 -0.000 3/37800 890.0 1.650 1.769 1.656 0.000 0.000 -0.000 3/37800 900.0 1.632 1.749 1.637 0.000 0.000 -0.000 3/37800 910.0 1.614 1.730 1.619 0.000 0.000 -0.000 3/37800 920.0 1.596 1.710 1.601 0.000 0.000 -0.000 3/37800 930.0 1.578 1.692 1.584 0.000 0.000 -0.000 3/37800 940.0 1.561 1.674 1.567 0.000 0.000 -0.000 3/37800 950.0 1.545 1.656 1.550 0.000 0.000 -0.000 3/37800 960.0 1.528 1.638 1.534 0.000 0.000 -0.000 3/37800 970.0 1.512 1.621 1.518 0.000 0.000 -0.000 3/37800 980.0 1.497 1.604 1.502 0.000 0.000 -0.000 3/37800 990.0 1.481 1.588 1.487 0.000 0.000 -0.000 3/37800 1000.0 1.466 1.572 1.472 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:30:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|