----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:52:19]------------------------- 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 5.840697580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.535305409999999 Atomic positions (fractional): *1 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 2 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 4 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 *5 Bi 0.04834842241254 0.25000000000000 0.01122447239998 208.980 6 Bi 0.54834842241254 0.25000000000000 0.48877552760002 208.980 7 Bi 0.45165157758746 0.75000000000000 0.51122447239998 208.980 8 Bi 0.95165157758746 0.75000000000000 0.98877552760002 208.980 *9 O 0.53771902416946 0.75000000000000 0.11427828027167 15.999 *10 O 0.80834208050578 0.05469005008856 0.18467381356905 15.999 11 O 0.80834208050578 0.44530994991144 0.18467381356905 15.999 12 O 0.30834208050578 0.05469005008856 0.31532618643095 15.999 13 O 0.30834208050578 0.44530994991144 0.31532618643095 15.999 14 O 0.03771902416946 0.75000000000000 0.38572171972833 15.999 15 O 0.96228097583054 0.25000000000000 0.61427828027167 15.999 16 O 0.69165791949422 0.55469005008856 0.68467381356905 15.999 17 O 0.69165791949422 0.94530994991144 0.68467381356905 15.999 18 O 0.19165791949422 0.55469005008856 0.81532618643095 15.999 19 O 0.19165791949422 0.94530994991144 0.81532618643095 15.999 20 O 0.46228097583054 0.25000000000000 0.88572171972833 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.840697580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.535305409999999 Atomic positions (fractional): *1 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 2 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 4 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 4 *5 Bi 0.04834842241254 0.25000000000000 0.01122447239998 208.980 > 5 6 Bi 0.54834842241254 0.25000000000000 0.48877552760002 208.980 > 6 7 Bi 0.45165157758746 0.75000000000000 0.51122447239998 208.980 > 7 8 Bi 0.95165157758746 0.75000000000000 0.98877552760002 208.980 > 8 *9 O 0.53771902416946 0.75000000000000 0.11427828027167 15.999 > 9 *10 O 0.80834208050578 0.05469005008856 0.18467381356905 15.999 > 10 11 O 0.80834208050578 0.44530994991144 0.18467381356905 15.999 > 11 12 O 0.30834208050578 0.05469005008856 0.31532618643095 15.999 > 12 13 O 0.30834208050578 0.44530994991144 0.31532618643095 15.999 > 13 14 O 0.03771902416946 0.75000000000000 0.38572171972833 15.999 > 14 15 O 0.96228097583054 0.25000000000000 0.61427828027167 15.999 > 15 16 O 0.69165791949422 0.55469005008856 0.68467381356905 15.999 > 16 17 O 0.69165791949422 0.94530994991144 0.68467381356905 15.999 > 17 18 O 0.19165791949422 0.55469005008856 0.81532618643095 15.999 > 18 19 O 0.19165791949422 0.94530994991144 0.81532618643095 15.999 > 19 20 O 0.46228097583054 0.25000000000000 0.88572171972833 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.681395159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.070610819999999 Atomic positions (fractional): *1 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 1 4 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 1 5 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 2 6 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 2 7 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 2 8 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 2 9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 3 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 3 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 3 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 3 13 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 4 14 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 4 15 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 4 16 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 4 *17 Bi 0.02417421120627 0.25000000000000 0.00561223619999 208.980 > 5 18 Bi 0.52417421120627 0.25000000000000 0.00561223619999 208.980 > 5 19 Bi 0.02417421120627 0.25000000000000 0.50561223619999 208.980 > 5 20 Bi 0.52417421120627 0.25000000000000 0.50561223619999 208.980 > 5 21 Bi 0.27417421120627 0.25000000000000 0.24438776380001 208.980 > 6 22 Bi 0.77417421120627 0.25000000000000 0.24438776380001 208.980 > 6 23 Bi 0.27417421120627 0.25000000000000 0.74438776380001 208.980 > 6 24 Bi 0.77417421120627 0.25000000000000 0.74438776380001 208.980 > 6 25 Bi 0.22582578879373 0.75000000000000 0.25561223619999 208.980 > 7 26 Bi 0.72582578879373 0.75000000000000 0.25561223619999 208.980 > 7 27 Bi 0.22582578879373 0.75000000000000 0.75561223619999 208.980 > 7 28 Bi 0.72582578879373 0.75000000000000 0.75561223619999 208.980 > 7 29 Bi 0.47582578879373 0.75000000000000 0.49438776380001 208.980 > 8 30 Bi 0.97582578879373 0.75000000000000 0.49438776380001 208.980 > 8 31 Bi 0.47582578879373 0.75000000000000 0.99438776380001 208.980 > 8 32 Bi 0.97582578879373 0.75000000000000 0.99438776380001 208.980 > 8 *33 O 0.26885951208473 0.75000000000000 0.05713914013583 15.999 > 9 34 O 0.76885951208473 0.75000000000000 0.05713914013583 15.999 > 9 35 O 0.26885951208473 0.75000000000000 0.55713914013583 15.999 > 9 36 O 0.76885951208473 0.75000000000000 0.55713914013583 15.999 > 9 *37 O 0.40417104025289 0.05469005008856 0.09233690678453 15.999 > 10 38 O 0.90417104025289 0.05469005008856 0.09233690678453 15.999 > 10 39 O 0.40417104025289 0.05469005008856 0.59233690678453 15.999 > 10 40 O 0.90417104025289 0.05469005008856 0.59233690678453 15.999 > 10 41 O 0.40417104025289 0.44530994991144 0.09233690678453 15.999 > 11 42 O 0.90417104025289 0.44530994991144 0.09233690678453 15.999 > 11 43 O 0.40417104025289 0.44530994991144 0.59233690678453 15.999 > 11 44 O 0.90417104025289 0.44530994991144 0.59233690678453 15.999 > 11 45 O 0.15417104025289 0.05469005008856 0.15766309321547 15.999 > 12 46 O 0.65417104025289 0.05469005008856 0.15766309321547 15.999 > 12 47 O 0.15417104025289 0.05469005008856 0.65766309321547 15.999 > 12 48 O 0.65417104025289 0.05469005008856 0.65766309321547 15.999 > 12 49 O 0.15417104025289 0.44530994991144 0.15766309321547 15.999 > 13 50 O 0.65417104025289 0.44530994991144 0.15766309321547 15.999 > 13 51 O 0.15417104025289 0.44530994991144 0.65766309321547 15.999 > 13 52 O 0.65417104025289 0.44530994991144 0.65766309321547 15.999 > 13 53 O 0.01885951208473 0.75000000000000 0.19286085986417 15.999 > 14 54 O 0.51885951208473 0.75000000000000 0.19286085986417 15.999 > 14 55 O 0.01885951208473 0.75000000000000 0.69286085986417 15.999 > 14 56 O 0.51885951208473 0.75000000000000 0.69286085986417 15.999 > 14 57 O 0.48114048791527 0.25000000000000 0.30713914013583 15.999 > 15 58 O 0.98114048791527 0.25000000000000 0.30713914013583 15.999 > 15 59 O 0.48114048791527 0.25000000000000 0.80713914013583 15.999 > 15 60 O 0.98114048791527 0.25000000000000 0.80713914013583 15.999 > 15 61 O 0.34582895974711 0.55469005008856 0.34233690678453 15.999 > 16 62 O 0.84582895974711 0.55469005008856 0.34233690678453 15.999 > 16 63 O 0.34582895974711 0.55469005008856 0.84233690678453 15.999 > 16 64 O 0.84582895974711 0.55469005008856 0.84233690678453 15.999 > 16 65 O 0.34582895974711 0.94530994991144 0.34233690678453 15.999 > 17 66 O 0.84582895974711 0.94530994991144 0.34233690678453 15.999 > 17 67 O 0.34582895974711 0.94530994991144 0.84233690678453 15.999 > 17 68 O 0.84582895974711 0.94530994991144 0.84233690678453 15.999 > 17 69 O 0.09582895974711 0.55469005008856 0.40766309321547 15.999 > 18 70 O 0.59582895974711 0.55469005008856 0.40766309321547 15.999 > 18 71 O 0.09582895974711 0.55469005008856 0.90766309321547 15.999 > 18 72 O 0.59582895974711 0.55469005008856 0.90766309321547 15.999 > 18 73 O 0.09582895974711 0.94530994991144 0.40766309321547 15.999 > 19 74 O 0.59582895974711 0.94530994991144 0.40766309321547 15.999 > 19 75 O 0.09582895974711 0.94530994991144 0.90766309321547 15.999 > 19 76 O 0.59582895974711 0.94530994991144 0.90766309321547 15.999 > 19 77 O 0.23114048791527 0.25000000000000 0.44286085986417 15.999 > 20 78 O 0.73114048791527 0.25000000000000 0.44286085986417 15.999 > 20 79 O 0.23114048791527 0.25000000000000 0.94286085986417 15.999 > 20 80 O 0.73114048791527 0.25000000000000 0.94286085986417 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5608499 0.0000000 0.0000000 0.0000000 6.6875237 0.0000000 0.0000000 0.0000000 6.8195393 -------------------------- Born effective charges -------------------------- 1 Sc 4.2218613 -0.1326098 0.5550486 0.0370933 4.0404890 0.4079705 -0.0026315 -0.3495152 4.1137720 2 Sc 4.2218613 0.1326098 0.5550486 -0.0370933 4.0404890 -0.4079705 -0.0026315 0.3495152 4.1137720 3 Sc 4.2218613 -0.1326098 -0.5550486 0.0370933 4.0404890 -0.4079705 0.0026315 0.3495152 4.1137720 4 Sc 4.2218613 0.1326098 -0.5550486 -0.0370933 4.0404890 0.4079705 0.0026315 -0.3495152 4.1137720 5 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 6 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 7 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 8 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 9 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 10 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 11 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 12 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 13 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 14 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 15 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 16 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 17 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 18 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 19 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 20 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 ---------------------------------------------------------------------------- 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: 0.726 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.725 Solver_block: 320 / 320 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.374 --------------------------------- 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 23:52:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:52:31]------------------------- 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 5.840697580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.535305409999999 Atomic positions (fractional): 1 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 2 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 4 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 5 Bi 0.04834842241254 0.25000000000000 0.01122447239998 208.980 6 Bi 0.54834842241254 0.25000000000000 0.48877552760002 208.980 7 Bi 0.45165157758746 0.75000000000000 0.51122447239998 208.980 8 Bi 0.95165157758746 0.75000000000000 0.98877552760002 208.980 9 O 0.53771902416946 0.75000000000000 0.11427828027167 15.999 10 O 0.80834208050578 0.05469005008856 0.18467381356905 15.999 11 O 0.80834208050578 0.44530994991144 0.18467381356905 15.999 12 O 0.30834208050578 0.05469005008856 0.31532618643095 15.999 13 O 0.30834208050578 0.44530994991144 0.31532618643095 15.999 14 O 0.03771902416946 0.75000000000000 0.38572171972833 15.999 15 O 0.96228097583054 0.25000000000000 0.61427828027167 15.999 16 O 0.69165791949422 0.55469005008856 0.68467381356905 15.999 17 O 0.69165791949422 0.94530994991144 0.68467381356905 15.999 18 O 0.19165791949422 0.55469005008856 0.81532618643095 15.999 19 O 0.19165791949422 0.94530994991144 0.81532618643095 15.999 20 O 0.46228097583054 0.25000000000000 0.88572171972833 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.681395159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.070610819999999 Atomic positions (fractional): 1 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 1 4 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 1 5 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 5 6 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 5 7 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 5 8 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 9 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 9 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 9 13 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 13 14 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 13 15 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 13 16 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 13 17 Bi 0.02417421120627 0.25000000000000 0.00561223619999 208.980 > 17 18 Bi 0.52417421120627 0.25000000000000 0.00561223619999 208.980 > 17 19 Bi 0.02417421120627 0.25000000000000 0.50561223619999 208.980 > 17 20 Bi 0.52417421120627 0.25000000000000 0.50561223619999 208.980 > 17 21 Bi 0.27417421120627 0.25000000000000 0.24438776380001 208.980 > 21 22 Bi 0.77417421120627 0.25000000000000 0.24438776380001 208.980 > 21 23 Bi 0.27417421120627 0.25000000000000 0.74438776380001 208.980 > 21 24 Bi 0.77417421120627 0.25000000000000 0.74438776380001 208.980 > 21 25 Bi 0.22582578879373 0.75000000000000 0.25561223619999 208.980 > 25 26 Bi 0.72582578879373 0.75000000000000 0.25561223619999 208.980 > 25 27 Bi 0.22582578879373 0.75000000000000 0.75561223619999 208.980 > 25 28 Bi 0.72582578879373 0.75000000000000 0.75561223619999 208.980 > 25 29 Bi 0.47582578879373 0.75000000000000 0.49438776380001 208.980 > 29 30 Bi 0.97582578879373 0.75000000000000 0.49438776380001 208.980 > 29 31 Bi 0.47582578879373 0.75000000000000 0.99438776380001 208.980 > 29 32 Bi 0.97582578879373 0.75000000000000 0.99438776380001 208.980 > 29 33 O 0.26885951208473 0.75000000000000 0.05713914013583 15.999 > 33 34 O 0.76885951208473 0.75000000000000 0.05713914013583 15.999 > 33 35 O 0.26885951208473 0.75000000000000 0.55713914013583 15.999 > 33 36 O 0.76885951208473 0.75000000000000 0.55713914013583 15.999 > 33 37 O 0.40417104025289 0.05469005008856 0.09233690678453 15.999 > 37 38 O 0.90417104025289 0.05469005008856 0.09233690678453 15.999 > 37 39 O 0.40417104025289 0.05469005008856 0.59233690678453 15.999 > 37 40 O 0.90417104025289 0.05469005008856 0.59233690678453 15.999 > 37 41 O 0.40417104025289 0.44530994991144 0.09233690678453 15.999 > 41 42 O 0.90417104025289 0.44530994991144 0.09233690678453 15.999 > 41 43 O 0.40417104025289 0.44530994991144 0.59233690678453 15.999 > 41 44 O 0.90417104025289 0.44530994991144 0.59233690678453 15.999 > 41 45 O 0.15417104025289 0.05469005008856 0.15766309321547 15.999 > 45 46 O 0.65417104025289 0.05469005008856 0.15766309321547 15.999 > 45 47 O 0.15417104025289 0.05469005008856 0.65766309321547 15.999 > 45 48 O 0.65417104025289 0.05469005008856 0.65766309321547 15.999 > 45 49 O 0.15417104025289 0.44530994991144 0.15766309321547 15.999 > 49 50 O 0.65417104025289 0.44530994991144 0.15766309321547 15.999 > 49 51 O 0.15417104025289 0.44530994991144 0.65766309321547 15.999 > 49 52 O 0.65417104025289 0.44530994991144 0.65766309321547 15.999 > 49 53 O 0.01885951208473 0.75000000000000 0.19286085986417 15.999 > 53 54 O 0.51885951208473 0.75000000000000 0.19286085986417 15.999 > 53 55 O 0.01885951208473 0.75000000000000 0.69286085986417 15.999 > 53 56 O 0.51885951208473 0.75000000000000 0.69286085986417 15.999 > 53 57 O 0.48114048791527 0.25000000000000 0.30713914013583 15.999 > 57 58 O 0.98114048791527 0.25000000000000 0.30713914013583 15.999 > 57 59 O 0.48114048791527 0.25000000000000 0.80713914013583 15.999 > 57 60 O 0.98114048791527 0.25000000000000 0.80713914013583 15.999 > 57 61 O 0.34582895974711 0.55469005008856 0.34233690678453 15.999 > 61 62 O 0.84582895974711 0.55469005008856 0.34233690678453 15.999 > 61 63 O 0.34582895974711 0.55469005008856 0.84233690678453 15.999 > 61 64 O 0.84582895974711 0.55469005008856 0.84233690678453 15.999 > 61 65 O 0.34582895974711 0.94530994991144 0.34233690678453 15.999 > 65 66 O 0.84582895974711 0.94530994991144 0.34233690678453 15.999 > 65 67 O 0.34582895974711 0.94530994991144 0.84233690678453 15.999 > 65 68 O 0.84582895974711 0.94530994991144 0.84233690678453 15.999 > 65 69 O 0.09582895974711 0.55469005008856 0.40766309321547 15.999 > 69 70 O 0.59582895974711 0.55469005008856 0.40766309321547 15.999 > 69 71 O 0.09582895974711 0.55469005008856 0.90766309321547 15.999 > 69 72 O 0.59582895974711 0.55469005008856 0.90766309321547 15.999 > 69 73 O 0.09582895974711 0.94530994991144 0.40766309321547 15.999 > 73 74 O 0.59582895974711 0.94530994991144 0.40766309321547 15.999 > 73 75 O 0.09582895974711 0.94530994991144 0.90766309321547 15.999 > 73 76 O 0.59582895974711 0.94530994991144 0.90766309321547 15.999 > 73 77 O 0.23114048791527 0.25000000000000 0.44286085986417 15.999 > 77 78 O 0.73114048791527 0.25000000000000 0.44286085986417 15.999 > 77 79 O 0.23114048791527 0.25000000000000 0.94286085986417 15.999 > 77 80 O 0.73114048791527 0.25000000000000 0.94286085986417 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5608499 0.0000000 0.0000000 0.0000000 6.6875237 0.0000000 0.0000000 0.0000000 6.8195393 -------------------------- Born effective charges -------------------------- 1 Sc 4.2218613 -0.1326098 0.5550486 0.0370933 4.0404890 0.4079705 -0.0026315 -0.3495152 4.1137720 2 Sc 4.2218613 0.1326098 0.5550486 -0.0370933 4.0404890 -0.4079705 -0.0026315 0.3495152 4.1137720 3 Sc 4.2218613 -0.1326098 -0.5550486 0.0370933 4.0404890 -0.4079705 0.0026315 0.3495152 4.1137720 4 Sc 4.2218613 0.1326098 -0.5550486 -0.0370933 4.0404890 0.4079705 0.0026315 -0.3495152 4.1137720 5 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 6 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 7 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 8 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 9 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 10 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 11 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 12 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 13 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 14 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 15 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 16 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 17 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 18 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 19 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 20 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 ---------------------------------------------------------------------------- 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: -0.00000005 (xzz) -0.00000005 (xzz) -0.00000005 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) 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 23:52:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:52:42]------------------------- 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 5.840697580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.535305409999999 Atomic positions (fractional): 1 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 2 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 3 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 4 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 5 Bi 0.04834842241254 0.25000000000000 0.01122447239998 208.980 6 Bi 0.54834842241254 0.25000000000000 0.48877552760002 208.980 7 Bi 0.45165157758746 0.75000000000000 0.51122447239998 208.980 8 Bi 0.95165157758746 0.75000000000000 0.98877552760002 208.980 9 O 0.53771902416946 0.75000000000000 0.11427828027167 15.999 10 O 0.80834208050578 0.05469005008856 0.18467381356905 15.999 11 O 0.80834208050578 0.44530994991144 0.18467381356905 15.999 12 O 0.30834208050578 0.05469005008856 0.31532618643095 15.999 13 O 0.30834208050578 0.44530994991144 0.31532618643095 15.999 14 O 0.03771902416946 0.75000000000000 0.38572171972833 15.999 15 O 0.96228097583054 0.25000000000000 0.61427828027167 15.999 16 O 0.69165791949422 0.55469005008856 0.68467381356905 15.999 17 O 0.69165791949422 0.94530994991144 0.68467381356905 15.999 18 O 0.19165791949422 0.55469005008856 0.81532618643095 15.999 19 O 0.19165791949422 0.94530994991144 0.81532618643095 15.999 20 O 0.46228097583054 0.25000000000000 0.88572171972833 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.681395159999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.992944380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.070610819999999 Atomic positions (fractional): 1 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 1 4 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 1 5 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 5 6 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 5 7 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 5 8 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 5 9 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 9 10 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 9 11 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 9 12 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 9 13 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 13 14 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 13 15 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 13 16 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 13 17 Bi 0.02417421120627 0.25000000000000 0.00561223619999 208.980 > 17 18 Bi 0.52417421120627 0.25000000000000 0.00561223619999 208.980 > 17 19 Bi 0.02417421120627 0.25000000000000 0.50561223619999 208.980 > 17 20 Bi 0.52417421120627 0.25000000000000 0.50561223619999 208.980 > 17 21 Bi 0.27417421120627 0.25000000000000 0.24438776380001 208.980 > 21 22 Bi 0.77417421120627 0.25000000000000 0.24438776380001 208.980 > 21 23 Bi 0.27417421120627 0.25000000000000 0.74438776380001 208.980 > 21 24 Bi 0.77417421120627 0.25000000000000 0.74438776380001 208.980 > 21 25 Bi 0.22582578879373 0.75000000000000 0.25561223619999 208.980 > 25 26 Bi 0.72582578879373 0.75000000000000 0.25561223619999 208.980 > 25 27 Bi 0.22582578879373 0.75000000000000 0.75561223619999 208.980 > 25 28 Bi 0.72582578879373 0.75000000000000 0.75561223619999 208.980 > 25 29 Bi 0.47582578879373 0.75000000000000 0.49438776380001 208.980 > 29 30 Bi 0.97582578879373 0.75000000000000 0.49438776380001 208.980 > 29 31 Bi 0.47582578879373 0.75000000000000 0.99438776380001 208.980 > 29 32 Bi 0.97582578879373 0.75000000000000 0.99438776380001 208.980 > 29 33 O 0.26885951208473 0.75000000000000 0.05713914013583 15.999 > 33 34 O 0.76885951208473 0.75000000000000 0.05713914013583 15.999 > 33 35 O 0.26885951208473 0.75000000000000 0.55713914013583 15.999 > 33 36 O 0.76885951208473 0.75000000000000 0.55713914013583 15.999 > 33 37 O 0.40417104025289 0.05469005008856 0.09233690678453 15.999 > 37 38 O 0.90417104025289 0.05469005008856 0.09233690678453 15.999 > 37 39 O 0.40417104025289 0.05469005008856 0.59233690678453 15.999 > 37 40 O 0.90417104025289 0.05469005008856 0.59233690678453 15.999 > 37 41 O 0.40417104025289 0.44530994991144 0.09233690678453 15.999 > 41 42 O 0.90417104025289 0.44530994991144 0.09233690678453 15.999 > 41 43 O 0.40417104025289 0.44530994991144 0.59233690678453 15.999 > 41 44 O 0.90417104025289 0.44530994991144 0.59233690678453 15.999 > 41 45 O 0.15417104025289 0.05469005008856 0.15766309321547 15.999 > 45 46 O 0.65417104025289 0.05469005008856 0.15766309321547 15.999 > 45 47 O 0.15417104025289 0.05469005008856 0.65766309321547 15.999 > 45 48 O 0.65417104025289 0.05469005008856 0.65766309321547 15.999 > 45 49 O 0.15417104025289 0.44530994991144 0.15766309321547 15.999 > 49 50 O 0.65417104025289 0.44530994991144 0.15766309321547 15.999 > 49 51 O 0.15417104025289 0.44530994991144 0.65766309321547 15.999 > 49 52 O 0.65417104025289 0.44530994991144 0.65766309321547 15.999 > 49 53 O 0.01885951208473 0.75000000000000 0.19286085986417 15.999 > 53 54 O 0.51885951208473 0.75000000000000 0.19286085986417 15.999 > 53 55 O 0.01885951208473 0.75000000000000 0.69286085986417 15.999 > 53 56 O 0.51885951208473 0.75000000000000 0.69286085986417 15.999 > 53 57 O 0.48114048791527 0.25000000000000 0.30713914013583 15.999 > 57 58 O 0.98114048791527 0.25000000000000 0.30713914013583 15.999 > 57 59 O 0.48114048791527 0.25000000000000 0.80713914013583 15.999 > 57 60 O 0.98114048791527 0.25000000000000 0.80713914013583 15.999 > 57 61 O 0.34582895974711 0.55469005008856 0.34233690678453 15.999 > 61 62 O 0.84582895974711 0.55469005008856 0.34233690678453 15.999 > 61 63 O 0.34582895974711 0.55469005008856 0.84233690678453 15.999 > 61 64 O 0.84582895974711 0.55469005008856 0.84233690678453 15.999 > 61 65 O 0.34582895974711 0.94530994991144 0.34233690678453 15.999 > 65 66 O 0.84582895974711 0.94530994991144 0.34233690678453 15.999 > 65 67 O 0.34582895974711 0.94530994991144 0.84233690678453 15.999 > 65 68 O 0.84582895974711 0.94530994991144 0.84233690678453 15.999 > 65 69 O 0.09582895974711 0.55469005008856 0.40766309321547 15.999 > 69 70 O 0.59582895974711 0.55469005008856 0.40766309321547 15.999 > 69 71 O 0.09582895974711 0.55469005008856 0.90766309321547 15.999 > 69 72 O 0.59582895974711 0.55469005008856 0.90766309321547 15.999 > 69 73 O 0.09582895974711 0.94530994991144 0.40766309321547 15.999 > 73 74 O 0.59582895974711 0.94530994991144 0.40766309321547 15.999 > 73 75 O 0.09582895974711 0.94530994991144 0.90766309321547 15.999 > 73 76 O 0.59582895974711 0.94530994991144 0.90766309321547 15.999 > 73 77 O 0.23114048791527 0.25000000000000 0.44286085986417 15.999 > 77 78 O 0.73114048791527 0.25000000000000 0.44286085986417 15.999 > 77 79 O 0.23114048791527 0.25000000000000 0.94286085986417 15.999 > 77 80 O 0.73114048791527 0.25000000000000 0.94286085986417 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5608499 0.0000000 0.0000000 0.0000000 6.6875237 0.0000000 0.0000000 0.0000000 6.8195393 -------------------------- Born effective charges -------------------------- 1 Sc 4.2218613 -0.1326098 0.5550486 0.0370933 4.0404890 0.4079705 -0.0026315 -0.3495152 4.1137720 2 Sc 4.2218613 0.1326098 0.5550486 -0.0370933 4.0404890 -0.4079705 -0.0026315 0.3495152 4.1137720 3 Sc 4.2218613 -0.1326098 -0.5550486 0.0370933 4.0404890 -0.4079705 0.0026315 0.3495152 4.1137720 4 Sc 4.2218613 0.1326098 -0.5550486 -0.0370933 4.0404890 0.4079705 0.0026315 -0.3495152 4.1137720 5 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 6 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 7 Bi 4.7941605 0.0000000 0.0339029 0.0000000 4.7896659 0.0000000 0.6673408 0.0000000 5.0266414 8 Bi 4.7941605 0.0000000 -0.0339029 0.0000000 4.7896659 0.0000000 -0.6673408 0.0000000 5.0266414 9 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 10 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 11 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 12 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 13 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 14 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 15 O -2.4179867 0.0000000 -0.8114164 0.0000000 -3.1144397 0.0000000 -0.6688905 0.0000000 -3.2807616 16 O -3.2990176 0.3373240 0.0844478 0.4441336 -2.8578576 -0.0152252 0.0573006 -0.0153702 -2.9298259 17 O -3.2990176 -0.3373240 0.0844478 -0.4441336 -2.8578576 0.0152252 0.0573006 0.0153702 -2.9298259 18 O -3.2990176 0.3373240 -0.0844478 0.4441336 -2.8578576 0.0152252 -0.0573006 0.0153702 -2.9298259 19 O -3.2990176 -0.3373240 -0.0844478 -0.4441336 -2.8578576 -0.0152252 -0.0573006 -0.0153702 -2.9298259 20 O -2.4179867 0.0000000 0.8114164 0.0000000 -3.1144397 0.0000000 0.6688905 0.0000000 -3.2807616 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xzz) -0.00000005 (xzz) -0.00000005 (xzz) 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 6 9 ] 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: 0.65, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.990 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.596 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 14.837 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.826 ( 0.000 0.000 0.000) 0.000 18.613 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.534 ( 27.243 0.000 0.000) 27.243 0.608 ( 29.314 0.000 0.000) 29.314 1.070 ( 53.279 0.000 0.000) 53.279 1.693 ( -10.493 0.000 0.000) 10.493 1.936 ( 13.791 0.000 0.000) 13.791 1.955 ( 1.069 0.000 0.000) 1.069 2.241 ( 5.191 0.000 0.000) 5.191 2.297 ( -1.764 0.000 0.000) 1.764 2.382 ( -3.330 0.000 0.000) 3.330 2.482 ( -3.778 0.000 0.000) 3.778 3.117 ( -4.857 0.000 0.000) 4.857 3.229 ( -14.513 0.000 0.000) 14.513 3.275 ( -6.799 0.000 0.000) 6.799 3.925 ( 16.927 0.000 0.000) 16.927 3.938 ( 10.889 0.000 0.000) 10.889 5.259 ( 3.544 0.000 0.000) 3.544 5.293 ( 7.832 0.000 0.000) 7.832 6.044 ( 9.986 0.000 0.000) 9.986 6.073 ( -1.681 0.000 0.000) 1.681 6.173 ( -19.088 0.000 0.000) 19.088 6.458 ( -12.231 0.000 0.000) 12.231 6.670 ( 3.335 0.000 0.000) 3.335 6.923 ( 9.389 0.000 0.000) 9.389 7.120 ( 1.705 0.000 0.000) 1.705 7.327 ( -10.522 0.000 0.000) 10.522 7.518 ( -1.548 0.000 0.000) 1.548 7.649 ( 15.329 0.000 0.000) 15.329 7.982 ( -20.575 0.000 0.000) 20.575 8.579 ( 7.040 0.000 0.000) 7.040 8.817 ( -15.508 0.000 0.000) 15.508 8.987 ( 12.695 0.000 0.000) 12.695 9.155 ( -0.724 0.000 0.000) 0.724 9.356 ( -6.494 0.000 0.000) 6.494 9.582 ( -8.061 0.000 0.000) 8.061 10.098 ( 5.407 0.000 0.000) 5.407 10.101 ( 4.439 0.000 0.000) 4.439 10.152 ( -6.932 0.000 0.000) 6.932 10.341 ( -18.454 0.000 0.000) 18.454 10.396 ( 2.058 0.000 0.000) 2.058 10.649 ( -0.502 0.000 0.000) 0.502 10.771 ( -0.401 0.000 0.000) 0.401 11.011 ( -0.312 0.000 0.000) 0.312 11.696 ( -8.775 0.000 0.000) 8.775 11.781 ( -2.678 0.000 0.000) 2.678 12.036 ( 20.071 0.000 0.000) 20.071 12.472 ( 5.409 0.000 0.000) 5.409 12.623 ( 2.577 0.000 0.000) 2.577 12.625 ( 2.978 0.000 0.000) 2.978 13.328 ( -0.298 0.000 0.000) 0.298 13.552 ( 2.766 0.000 0.000) 2.766 13.554 ( 2.334 0.000 0.000) 2.334 13.588 ( 1.046 0.000 0.000) 1.046 13.603 ( 1.355 0.000 0.000) 1.355 14.226 ( -1.715 0.000 0.000) 1.715 14.476 ( -1.555 0.000 0.000) 1.555 14.528 ( -2.131 0.000 0.000) 2.131 17.367 ( 4.686 0.000 0.000) 4.686 17.841 ( 1.486 0.000 0.000) 1.486 18.287 ( -2.466 0.000 0.000) 2.466 18.598 ( -1.662 0.000 0.000) 1.662 ======================= Grid point 2 (3/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.024 ( 23.963 0.000 0.000) 23.963 1.083 ( 20.321 0.000 0.000) 20.321 1.447 ( -13.923 0.000 0.000) 13.923 1.950 ( 35.232 0.000 0.000) 35.232 1.974 ( 0.628 0.000 0.000) 0.628 2.172 ( 3.379 0.000 0.000) 3.379 2.261 ( 0.027 0.000 0.000) 0.027 2.309 ( 0.547 0.000 0.000) 0.547 2.309 ( -3.481 0.000 0.000) 3.481 2.450 ( 1.286 0.000 0.000) 1.286 2.993 ( -7.692 0.000 0.000) 7.692 3.040 ( 2.767 0.000 0.000) 2.767 3.122 ( -8.366 0.000 0.000) 8.366 4.194 ( 14.705 0.000 0.000) 14.705 4.319 ( 22.662 0.000 0.000) 22.662 5.360 ( 6.525 0.000 0.000) 6.525 5.388 ( 1.425 0.000 0.000) 1.425 5.815 ( -15.460 0.000 0.000) 15.460 5.981 ( -9.383 0.000 0.000) 9.383 6.227 ( -10.744 0.000 0.000) 10.744 6.343 ( 19.796 0.000 0.000) 19.796 6.720 ( 0.184 0.000 0.000) 0.184 7.084 ( 6.596 0.000 0.000) 6.596 7.172 ( 2.759 0.000 0.000) 2.759 7.185 ( -0.048 0.000 0.000) 0.048 7.492 ( -0.252 0.000 0.000) 0.252 7.548 ( -23.302 0.000 0.000) 23.302 7.907 ( 9.689 0.000 0.000) 9.689 8.474 ( -18.307 0.000 0.000) 18.307 8.620 ( -3.712 0.000 0.000) 3.712 9.104 ( -4.201 0.000 0.000) 4.201 9.146 ( -15.432 0.000 0.000) 15.432 9.218 ( 1.614 0.000 0.000) 1.614 9.424 ( 0.599 0.000 0.000) 0.599 9.961 ( -10.278 0.000 0.000) 10.278 10.044 ( -12.247 0.000 0.000) 12.247 10.227 ( 8.362 0.000 0.000) 8.362 10.238 ( 8.279 0.000 0.000) 8.279 10.457 ( 4.378 0.000 0.000) 4.378 10.633 ( -1.270 0.000 0.000) 1.270 10.783 ( 1.201 0.000 0.000) 1.201 10.967 ( -4.527 0.000 0.000) 4.527 11.480 ( -13.216 0.000 0.000) 13.216 11.637 ( -10.574 0.000 0.000) 10.574 12.468 ( 21.860 0.000 0.000) 21.860 12.627 ( 10.704 0.000 0.000) 10.704 12.687 ( 4.206 0.000 0.000) 4.206 12.714 ( 6.186 0.000 0.000) 6.186 13.308 ( -1.975 0.000 0.000) 1.975 13.591 ( -0.136 0.000 0.000) 0.136 13.627 ( 5.472 0.000 0.000) 5.472 13.628 ( 3.879 0.000 0.000) 3.879 13.643 ( 2.667 0.000 0.000) 2.667 14.193 ( -1.427 0.000 0.000) 1.427 14.428 ( -3.512 0.000 0.000) 3.512 14.460 ( -5.074 0.000 0.000) 5.074 17.501 ( 9.320 0.000 0.000) 9.320 17.880 ( 2.465 0.000 0.000) 2.465 18.224 ( -4.008 0.000 0.000) 4.008 18.542 ( -4.395 0.000 0.000) 4.395 ======================= Grid point 3 (4/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.220 ( -8.317 0.000 0.000) 8.317 1.373 ( 9.196 0.000 0.000) 9.196 1.436 ( 19.220 0.000 0.000) 19.220 1.968 ( -1.462 0.000 0.000) 1.462 1.991 ( -15.185 0.000 0.000) 15.185 2.107 ( -5.413 0.000 0.000) 5.413 2.258 ( -0.770 0.000 0.000) 0.770 2.314 ( 1.470 0.000 0.000) 1.470 2.457 ( -2.298 0.000 0.000) 2.298 2.534 ( 11.713 0.000 0.000) 11.713 2.872 ( -2.063 0.000 0.000) 2.063 2.996 ( -4.160 0.000 0.000) 4.160 3.422 ( 31.188 0.000 0.000) 31.188 4.446 ( 10.255 0.000 0.000) 10.255 4.714 ( 17.182 0.000 0.000) 17.182 5.363 ( -3.349 0.000 0.000) 3.349 5.420 ( -3.731 0.000 0.000) 3.731 5.683 ( 3.385 0.000 0.000) 3.385 5.691 ( -20.057 0.000 0.000) 20.057 6.152 ( 5.977 0.000 0.000) 5.977 6.680 ( 12.269 0.000 0.000) 12.269 6.698 ( -0.376 0.000 0.000) 0.376 6.972 ( -20.610 0.000 0.000) 20.610 7.182 ( -2.979 0.000 0.000) 2.979 7.333 ( 4.216 0.000 0.000) 4.216 7.363 ( 16.367 0.000 0.000) 16.367 7.568 ( 10.113 0.000 0.000) 10.113 7.898 ( -11.738 0.000 0.000) 11.738 8.261 ( -2.462 0.000 0.000) 2.462 8.459 ( -11.048 0.000 0.000) 11.048 8.791 ( -21.022 0.000 0.000) 21.022 8.950 ( -20.429 0.000 0.000) 20.429 9.037 ( -1.043 0.000 0.000) 1.043 9.690 ( 17.867 0.000 0.000) 17.867 9.709 ( -16.546 0.000 0.000) 16.546 9.978 ( 5.052 0.000 0.000) 5.052 10.360 ( 2.361 0.000 0.000) 2.361 10.364 ( 3.618 0.000 0.000) 3.618 10.583 ( 10.001 0.000 0.000) 10.001 10.617 ( 1.249 0.000 0.000) 1.249 10.801 ( 0.403 0.000 0.000) 0.403 10.859 ( -5.695 0.000 0.000) 5.695 11.214 ( -14.255 0.000 0.000) 14.255 11.403 ( -13.751 0.000 0.000) 13.751 12.784 ( 5.888 0.000 0.000) 5.888 12.811 ( 13.548 0.000 0.000) 13.548 12.847 ( 7.231 0.000 0.000) 7.231 12.857 ( 12.133 0.000 0.000) 12.133 13.257 ( -2.792 0.000 0.000) 2.792 13.554 ( -3.919 0.000 0.000) 3.919 13.697 ( 2.776 0.000 0.000) 2.776 13.700 ( 3.212 0.000 0.000) 3.212 13.764 ( 8.857 0.000 0.000) 8.857 14.178 ( -0.189 0.000 0.000) 0.189 14.336 ( -7.795 0.000 0.000) 7.795 14.347 ( -4.764 0.000 0.000) 4.764 17.715 ( 12.917 0.000 0.000) 12.917 17.932 ( 2.976 0.000 0.000) 2.976 18.143 ( -4.367 0.000 0.000) 4.367 18.423 ( -8.265 0.000 0.000) 8.265 ======================= Grid point 4 (5/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.181 ( 4.724 0.000 0.000) 4.724 1.355 ( -10.081 0.000 0.000) 10.081 1.750 ( 13.755 0.000 0.000) 13.755 1.845 ( 1.285 0.000 0.000) 1.285 1.915 ( -3.982 0.000 0.000) 3.982 1.966 ( -9.236 0.000 0.000) 9.236 2.282 ( 3.229 0.000 0.000) 3.229 2.367 ( -3.666 0.000 0.000) 3.666 2.388 ( 3.977 0.000 0.000) 3.977 2.518 ( -7.159 0.000 0.000) 7.159 2.928 ( 3.342 0.000 0.000) 3.342 2.958 ( -0.734 0.000 0.000) 0.734 4.047 ( 31.499 0.000 0.000) 31.499 4.483 ( -10.226 0.000 0.000) 10.226 4.977 ( 12.353 0.000 0.000) 12.353 5.227 ( -13.527 0.000 0.000) 13.527 5.291 ( -2.983 0.000 0.000) 2.983 5.344 ( -11.678 0.000 0.000) 11.678 5.927 ( 19.404 0.000 0.000) 19.404 6.268 ( -8.305 0.000 0.000) 8.305 6.719 ( 6.231 0.000 0.000) 6.231 6.727 ( 2.901 0.000 0.000) 2.901 6.774 ( -0.672 0.000 0.000) 0.672 7.013 ( -15.082 0.000 0.000) 15.082 7.465 ( 8.152 0.000 0.000) 8.152 7.647 ( -11.675 0.000 0.000) 11.675 7.724 ( 19.141 0.000 0.000) 19.141 7.842 ( 12.501 0.000 0.000) 12.501 8.240 ( -0.587 0.000 0.000) 0.587 8.283 ( -6.000 0.000 0.000) 6.000 8.415 ( -13.680 0.000 0.000) 13.680 8.541 ( -20.549 0.000 0.000) 20.549 9.122 ( 10.069 0.000 0.000) 10.069 9.386 ( -16.501 0.000 0.000) 16.501 10.017 ( 15.935 0.000 0.000) 15.935 10.141 ( 10.408 0.000 0.000) 10.408 10.273 ( -10.249 0.000 0.000) 10.249 10.322 ( -7.259 0.000 0.000) 7.259 10.731 ( 9.750 0.000 0.000) 9.750 10.788 ( 0.604 0.000 0.000) 0.604 10.797 ( -0.698 0.000 0.000) 0.698 10.837 ( 13.417 0.000 0.000) 13.417 10.952 ( -13.029 0.000 0.000) 13.029 11.124 ( -15.265 0.000 0.000) 15.265 12.904 ( 6.412 0.000 0.000) 6.412 12.962 ( 4.072 0.000 0.000) 4.072 12.973 ( 3.544 0.000 0.000) 3.544 12.991 ( -0.493 0.000 0.000) 0.493 13.276 ( 6.773 0.000 0.000) 6.773 13.438 ( -8.088 0.000 0.000) 8.088 13.738 ( 1.308 0.000 0.000) 1.308 13.741 ( 1.010 0.000 0.000) 1.010 13.953 ( 10.587 0.000 0.000) 10.587 14.144 ( -7.890 0.000 0.000) 7.890 14.214 ( -0.292 0.000 0.000) 0.292 14.261 ( -3.927 0.000 0.000) 3.927 17.976 ( 13.992 0.000 0.000) 13.992 17.992 ( 3.410 0.000 0.000) 3.410 18.063 ( -3.968 0.000 0.000) 3.968 18.228 ( -12.065 0.000 0.000) 12.065 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 27.618 0.000) 27.618 0.666 ( 0.000 30.617 0.000) 30.617 1.181 ( 0.000 50.783 0.000) 50.783 1.838 ( 0.000 3.599 0.000) 3.599 1.906 ( 0.000 -3.777 0.000) 3.777 2.267 ( 0.000 7.870 0.000) 7.870 2.276 ( 0.000 -0.447 0.000) 0.447 2.355 ( 0.000 -5.606 0.000) 5.606 2.474 ( 0.000 -5.295 0.000) 5.295 3.064 ( 0.000 -7.770 0.000) 7.770 3.254 ( 0.000 -8.005 0.000) 8.005 3.392 ( 0.000 -0.529 0.000) 0.529 3.749 ( 0.000 0.312 0.000) 0.312 3.849 ( 0.000 1.066 0.000) 1.066 4.004 ( 0.000 8.354 0.000) 8.354 4.722 ( 0.000 5.355 0.000) 5.355 5.280 ( 0.000 7.636 0.000) 7.636 5.999 ( 0.000 3.971 0.000) 3.971 6.315 ( 0.000 18.372 0.000) 18.372 6.422 ( 0.000 -1.322 0.000) 1.322 6.470 ( 0.000 7.098 0.000) 7.098 6.691 ( 0.000 7.624 0.000) 7.624 6.714 ( 0.000 -5.971 0.000) 5.971 7.037 ( 0.000 -5.829 0.000) 5.829 7.339 ( 0.000 4.571 0.000) 4.571 7.454 ( 0.000 -0.172 0.000) 0.172 7.566 ( 0.000 9.141 0.000) 9.141 8.105 ( 0.000 -11.031 0.000) 11.031 8.447 ( 0.000 -1.078 0.000) 1.078 8.593 ( 0.000 -14.072 0.000) 14.072 8.913 ( 0.000 -12.884 0.000) 12.884 9.093 ( 0.000 -5.442 0.000) 5.442 9.225 ( 0.000 12.176 0.000) 12.176 9.523 ( 0.000 5.405 0.000) 5.405 9.688 ( 0.000 2.477 0.000) 2.477 10.035 ( 0.000 -2.265 0.000) 2.265 10.141 ( 0.000 -5.799 0.000) 5.799 10.230 ( 0.000 -13.343 0.000) 13.343 10.715 ( 0.000 4.330 0.000) 4.330 10.804 ( 0.000 0.623 0.000) 0.623 11.060 ( 0.000 4.990 0.000) 4.990 11.126 ( 0.000 5.782 0.000) 5.782 11.728 ( 0.000 -5.158 0.000) 5.158 11.812 ( 0.000 -6.716 0.000) 6.716 12.295 ( 0.000 10.955 0.000) 10.955 12.670 ( 0.000 6.506 0.000) 6.506 12.692 ( 0.000 8.881 0.000) 8.881 12.707 ( 0.000 -1.911 0.000) 1.911 12.857 ( 0.000 6.118 0.000) 6.118 13.336 ( 0.000 0.519 0.000) 0.519 13.488 ( 0.000 -3.606 0.000) 3.606 13.534 ( 0.000 0.279 0.000) 0.279 13.563 ( 0.000 -1.544 0.000) 1.544 14.220 ( 0.000 -1.970 0.000) 1.970 14.482 ( 0.000 -5.845 0.000) 5.845 14.681 ( 0.000 -14.345 0.000) 14.345 17.367 ( 0.000 3.866 0.000) 3.866 17.668 ( 0.000 -1.245 0.000) 1.245 17.861 ( 0.000 3.375 0.000) 3.375 18.545 ( 0.000 -6.304 0.000) 6.304 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 14.113 17.347 0.000) 22.363 0.855 ( 16.658 19.886 0.000) 25.941 1.557 ( 32.286 34.220 0.000) 47.047 1.749 ( -8.604 5.109 0.000) 10.006 1.892 ( -1.038 -5.512 0.000) 5.608 2.261 ( -1.384 -0.505 0.000) 1.473 2.299 ( 1.598 3.770 0.000) 4.095 2.300 ( -6.479 -4.661 0.000) 7.981 2.454 ( -0.347 -1.570 0.000) 1.608 3.017 ( -5.006 -3.608 0.000) 6.171 3.106 ( -32.623 38.581 0.000) 50.525 3.190 ( -6.054 -7.187 0.000) 9.397 3.303 ( -13.311 17.467 0.000) 21.961 3.921 ( 16.073 -0.078 0.000) 16.073 3.968 ( 12.081 1.651 0.000) 12.194 5.062 ( 12.571 -10.679 0.000) 16.494 5.312 ( 7.926 2.228 0.000) 8.233 6.018 ( 0.771 -2.670 0.000) 2.779 6.254 ( -16.575 9.477 0.000) 19.093 6.323 ( -2.603 18.507 0.000) 18.689 6.349 ( -3.700 -3.821 0.000) 5.318 6.725 ( 3.423 7.126 0.000) 7.906 6.898 ( 8.717 -2.355 0.000) 9.030 7.062 ( 2.948 -4.336 0.000) 5.244 7.343 ( -10.379 -0.008 0.000) 10.379 7.604 ( 11.839 3.582 0.000) 12.369 7.707 ( 12.123 5.223 0.000) 13.200 7.928 ( -14.978 -3.503 0.000) 15.382 8.484 ( 2.937 -6.690 0.000) 7.307 8.567 ( -4.952 -13.684 0.000) 14.552 9.104 ( 0.531 -4.842 0.000) 4.871 9.229 ( 2.048 12.655 0.000) 12.819 9.231 ( 20.458 -26.142 0.000) 33.195 9.459 ( -5.832 0.224 0.000) 5.836 9.612 ( -7.395 2.952 0.000) 7.962 10.065 ( 3.220 -3.476 0.000) 4.738 10.081 ( -6.168 -6.288 0.000) 8.808 10.253 ( 2.643 -12.840 0.000) 13.109 10.614 ( -13.617 5.380 0.000) 14.641 10.726 ( -1.269 5.305 0.000) 5.455 10.997 ( -8.044 10.907 0.000) 13.553 11.057 ( -0.885 4.413 0.000) 4.501 11.653 ( -7.523 -4.046 0.000) 8.542 11.745 ( -5.848 -4.501 0.000) 7.380 12.377 ( 9.464 13.338 0.000) 16.355 12.596 ( 3.208 14.526 0.000) 14.876 12.655 ( 0.569 5.395 0.000) 5.425 12.750 ( 4.024 9.169 0.000) 10.013 13.263 ( 17.208 -16.610 0.000) 23.917 13.335 ( -0.266 0.554 0.000) 0.614 13.518 ( 2.926 -3.483 0.000) 4.549 13.570 ( 4.047 0.301 0.000) 4.058 13.577 ( 1.301 -1.276 0.000) 1.822 14.196 ( -2.213 -2.405 0.000) 3.269 14.463 ( -2.128 -5.890 0.000) 6.263 14.520 ( -9.888 -5.209 0.000) 11.176 17.379 ( 3.404 1.897 0.000) 3.897 17.873 ( 1.238 3.170 0.000) 3.403 17.919 ( 12.644 -16.561 0.000) 20.836 18.532 ( -1.471 -6.130 0.000) 6.304 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 13.770 2.891 0.000) 14.070 1.188 ( 16.680 8.877 0.000) 18.895 1.572 ( -7.344 10.435 0.000) 12.761 1.879 ( -0.218 -8.188 0.000) 8.191 2.108 ( -6.377 -6.171 0.000) 8.874 2.147 ( 11.502 11.831 0.000) 16.501 2.248 ( 7.822 3.684 0.000) 8.646 2.286 ( -1.582 -2.629 0.000) 3.068 2.493 ( 2.662 3.924 0.000) 4.742 2.713 ( -15.381 22.812 0.000) 27.513 2.903 ( -7.906 -6.080 0.000) 9.974 3.047 ( -8.393 -6.240 0.000) 10.458 3.263 ( 12.311 24.393 0.000) 27.324 4.234 ( 16.459 2.409 0.000) 16.634 4.318 ( 21.937 -0.048 0.000) 21.937 5.236 ( 7.922 -6.495 0.000) 10.244 5.473 ( 5.039 5.599 0.000) 7.532 5.907 ( -16.119 9.120 0.000) 18.520 6.017 ( -0.729 -14.914 0.000) 14.932 6.220 ( -11.162 19.649 0.000) 22.598 6.408 ( 11.351 3.284 0.000) 11.817 6.801 ( 3.276 8.217 0.000) 8.846 7.005 ( 2.392 -6.268 0.000) 6.709 7.137 ( 4.254 -2.109 0.000) 4.748 7.200 ( -0.534 0.098 0.000) 0.543 7.539 ( -15.794 2.176 0.000) 15.943 7.776 ( 1.004 18.986 0.000) 19.012 7.912 ( 7.108 0.155 0.000) 7.110 8.390 ( -11.377 -6.201 0.000) 12.957 8.500 ( -2.414 -10.309 0.000) 10.588 9.052 ( -5.548 -4.659 0.000) 7.244 9.197 ( -15.716 4.731 0.000) 16.413 9.274 ( -6.552 3.941 0.000) 7.646 9.518 ( 5.684 8.275 0.000) 10.039 9.585 ( 11.417 -25.951 0.000) 28.351 9.911 ( -11.660 -7.354 0.000) 13.786 10.152 ( 5.342 -8.115 0.000) 9.716 10.340 ( 6.844 -9.505 0.000) 11.713 10.407 ( -5.545 7.821 0.000) 9.587 10.705 ( -1.429 4.830 0.000) 5.037 10.893 ( -3.339 8.313 0.000) 8.959 11.002 ( -5.044 3.460 0.000) 6.117 11.462 ( -11.963 -1.953 0.000) 12.122 11.588 ( -10.525 -4.596 0.000) 11.485 12.606 ( 13.524 5.073 0.000) 14.444 12.702 ( 4.168 3.859 0.000) 5.680 12.751 ( 10.697 15.078 0.000) 18.487 12.834 ( 4.850 8.687 0.000) 9.949 13.315 ( -1.865 0.549 0.000) 1.945 13.466 ( 6.782 -10.724 0.000) 12.689 13.569 ( 0.856 -2.449 0.000) 2.594 13.617 ( 3.589 -1.093 0.000) 3.752 13.685 ( 7.380 1.494 0.000) 7.530 14.152 ( -1.964 -3.376 0.000) 3.906 14.385 ( -5.053 -4.971 0.000) 7.089 14.397 ( -4.780 -5.754 0.000) 7.480 17.495 ( 8.552 -0.181 0.000) 8.554 17.904 ( 1.829 2.428 0.000) 3.039 18.040 ( 1.766 -13.599 0.000) 13.713 18.481 ( -4.036 -5.633 0.000) 6.930 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.953 -1.297 0.000) 1.609 1.446 ( 8.847 5.444 0.000) 10.388 1.595 ( 9.932 11.961 0.000) 15.547 1.878 ( -0.109 -8.202 0.000) 8.203 1.882 ( -11.502 -5.773 0.000) 12.869 2.121 ( -4.564 -0.577 0.000) 4.600 2.282 ( 1.664 -2.713 0.000) 3.182 2.438 ( -9.227 11.430 0.000) 14.690 2.493 ( -3.223 3.023 0.000) 4.419 2.569 ( 7.043 4.856 0.000) 8.555 2.750 ( -5.524 -9.114 0.000) 10.657 2.902 ( -6.070 -7.268 0.000) 9.469 3.698 ( 29.490 22.415 0.000) 37.042 4.539 ( 14.667 5.633 0.000) 15.712 4.694 ( 15.320 -1.214 0.000) 15.368 5.292 ( -4.370 -3.822 0.000) 5.805 5.513 ( -0.029 7.260 0.000) 7.260 5.724 ( -2.208 6.613 0.000) 6.972 5.895 ( -19.918 15.677 0.000) 25.347 6.093 ( 11.475 -4.817 0.000) 12.445 6.606 ( 0.219 -5.950 0.000) 5.954 6.837 ( 1.197 11.383 0.000) 11.446 7.009 ( 2.854 -0.457 0.000) 2.890 7.191 ( 0.756 2.613 0.000) 2.720 7.339 ( -2.293 5.750 0.000) 6.190 7.365 ( 15.202 -0.158 0.000) 15.203 7.820 ( 4.136 19.372 0.000) 19.808 7.889 ( -8.960 -0.627 0.000) 8.982 8.255 ( -2.376 -0.579 0.000) 2.446 8.393 ( -7.448 -6.008 0.000) 9.569 8.834 ( -21.494 3.941 0.000) 21.852 8.917 ( -11.420 -6.144 0.000) 12.968 9.028 ( -10.244 2.843 0.000) 10.631 9.629 ( -15.822 -7.095 0.000) 17.340 9.769 ( 16.048 6.606 0.000) 17.355 9.792 ( 10.064 -15.837 0.000) 18.764 10.229 ( 1.637 -13.062 0.000) 13.164 10.381 ( 0.004 2.332 0.000) 2.332 10.521 ( 11.997 -5.349 0.000) 13.135 10.678 ( -0.503 3.608 0.000) 3.643 10.846 ( -1.917 4.430 0.000) 4.827 10.883 ( -6.568 2.555 0.000) 7.047 11.218 ( -13.124 -0.040 0.000) 13.125 11.356 ( -13.554 -4.398 0.000) 14.249 12.802 ( 5.933 2.993 0.000) 6.645 12.874 ( 13.922 3.099 0.000) 14.263 12.929 ( 6.882 8.479 0.000) 10.921 12.936 ( 5.682 6.936 0.000) 8.966 13.267 ( -2.722 0.856 0.000) 2.853 13.542 ( -3.558 -1.192 0.000) 3.752 13.582 ( 5.728 -7.714 0.000) 9.608 13.688 ( 2.989 -1.229 0.000) 3.232 13.831 ( 7.856 3.519 0.000) 8.608 14.131 ( -0.185 -3.987 0.000) 3.991 14.285 ( -6.689 -4.658 0.000) 8.151 14.299 ( -4.288 -4.400 0.000) 6.144 17.695 ( 12.182 -1.643 0.000) 12.292 17.939 ( 1.793 0.883 0.000) 1.999 18.037 ( -1.276 -8.740 0.000) 8.833 18.370 ( -7.756 -4.850 0.000) 9.148 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 6.693 3.976 0.000) 7.785 1.418 ( -10.504 4.758 0.000) 11.532 1.801 ( 2.916 -3.133 0.000) 4.280 1.820 ( 11.136 6.657 0.000) 12.974 1.863 ( -1.463 -5.389 0.000) 5.584 2.010 ( -7.721 2.783 0.000) 8.207 2.337 ( -0.430 5.122 0.000) 5.140 2.355 ( 5.631 -2.284 0.000) 6.077 2.398 ( -5.101 2.273 0.000) 5.584 2.499 ( -8.353 -1.582 0.000) 8.501 2.771 ( 2.822 -11.381 0.000) 11.725 2.820 ( -2.958 -10.400 0.000) 10.813 4.279 ( 29.304 16.868 0.000) 33.812 4.679 ( -7.194 13.194 0.000) 15.028 4.892 ( 10.297 -4.499 0.000) 11.237 5.118 ( -11.929 -3.116 0.000) 12.329 5.474 ( -2.420 11.118 0.000) 11.378 5.524 ( -10.797 14.579 0.000) 18.142 5.908 ( 15.625 -0.513 0.000) 15.634 6.229 ( -11.719 -3.805 0.000) 12.321 6.570 ( 12.943 -2.882 0.000) 13.260 6.813 ( -6.311 5.078 0.000) 8.100 7.107 ( 3.078 19.046 0.000) 19.293 7.157 ( -3.324 15.357 0.000) 15.713 7.419 ( 8.216 -3.411 0.000) 8.895 7.564 ( -3.501 -5.617 0.000) 6.619 7.826 ( 11.345 7.269 0.000) 13.474 7.939 ( 5.535 8.268 0.000) 9.949 8.214 ( -1.520 -1.982 0.000) 2.498 8.282 ( -4.305 0.567 0.000) 4.342 8.449 ( -13.200 2.877 0.000) 13.510 8.581 ( -18.295 2.242 0.000) 18.432 9.053 ( 9.319 -5.056 0.000) 10.602 9.310 ( -16.326 -6.497 0.000) 17.571 10.006 ( 11.294 -12.661 0.000) 16.966 10.068 ( 14.581 3.991 0.000) 15.117 10.186 ( -6.343 -12.687 0.000) 14.185 10.302 ( -8.968 2.606 0.000) 9.339 10.730 ( 5.103 -1.004 0.000) 5.201 10.766 ( 9.221 -6.010 0.000) 11.007 10.798 ( 1.207 1.383 0.000) 1.836 10.825 ( 0.641 2.943 0.000) 3.012 10.987 ( -9.751 2.252 0.000) 10.008 11.086 ( -14.318 -3.329 0.000) 14.700 12.915 ( 5.581 2.101 0.000) 5.963 12.986 ( -0.876 2.344 0.000) 2.502 13.035 ( 4.173 5.666 0.000) 7.037 13.064 ( 3.072 5.704 0.000) 6.479 13.274 ( 6.054 -0.295 0.000) 6.061 13.432 ( -7.892 -0.571 0.000) 7.913 13.675 ( 3.732 -5.091 0.000) 6.313 13.715 ( -0.321 -2.486 0.000) 2.506 13.981 ( 7.832 1.854 0.000) 8.048 14.117 ( -4.668 -2.482 0.000) 5.286 14.179 ( -0.961 -3.024 0.000) 3.173 14.222 ( -3.633 -3.441 0.000) 5.003 17.938 ( 12.067 -3.340 0.000) 12.521 17.971 ( 1.567 -1.662 0.000) 2.284 18.012 ( -0.447 -4.293 0.000) 4.316 18.187 ( -11.359 -3.790 0.000) 11.975 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.130 ( 0.000 22.757 0.000) 22.757 1.255 ( 0.000 25.521 0.000) 25.521 1.778 ( 0.000 -8.662 0.000) 8.662 1.912 ( 0.000 9.754 0.000) 9.754 1.946 ( 0.000 6.697 0.000) 6.697 2.259 ( 0.000 2.311 0.000) 2.311 2.281 ( 0.000 1.211 0.000) 1.211 2.317 ( 0.000 -9.284 0.000) 9.284 2.490 ( 0.000 12.910 0.000) 12.910 2.962 ( 0.000 1.608 0.000) 1.608 3.046 ( 0.000 -11.660 0.000) 11.660 3.342 ( 0.000 -5.144 0.000) 5.144 3.765 ( 0.000 1.387 0.000) 1.387 3.845 ( 0.000 -1.348 0.000) 1.348 4.237 ( 0.000 13.263 0.000) 13.263 4.721 ( 0.000 -5.883 0.000) 5.883 5.591 ( 0.000 20.613 0.000) 20.613 6.110 ( 0.000 5.654 0.000) 5.654 6.349 ( 0.000 -5.927 0.000) 5.927 6.548 ( 0.000 -9.377 0.000) 9.377 6.572 ( 0.000 6.239 0.000) 6.239 6.648 ( 0.000 7.776 0.000) 7.776 6.936 ( 0.000 -2.032 0.000) 2.032 7.050 ( 0.000 16.136 0.000) 16.136 7.475 ( 0.000 8.089 0.000) 8.089 7.491 ( 0.000 10.072 0.000) 10.072 7.761 ( 0.000 8.377 0.000) 8.377 7.865 ( 0.000 -10.986 0.000) 10.986 8.357 ( 0.000 -7.243 0.000) 7.243 8.391 ( 0.000 -3.151 0.000) 3.151 8.600 ( 0.000 -14.794 0.000) 14.794 8.874 ( 0.000 -16.963 0.000) 16.963 9.441 ( 0.000 8.673 0.000) 8.673 9.665 ( 0.000 7.813 0.000) 7.813 9.763 ( 0.000 4.618 0.000) 4.618 9.892 ( 0.000 -16.465 0.000) 16.465 9.968 ( 0.000 -4.060 0.000) 4.060 10.001 ( 0.000 -7.461 0.000) 7.461 10.792 ( 0.000 2.738 0.000) 2.738 10.822 ( 0.000 0.813 0.000) 0.813 11.207 ( 0.000 8.693 0.000) 8.693 11.285 ( 0.000 8.873 0.000) 8.873 11.586 ( 0.000 -8.083 0.000) 8.083 11.657 ( 0.000 -8.138 0.000) 8.138 12.490 ( 0.000 6.632 0.000) 6.632 12.655 ( 0.000 -2.929 0.000) 2.929 12.849 ( 0.000 10.187 0.000) 10.187 12.933 ( 0.000 12.758 0.000) 12.758 13.085 ( 0.000 14.697 0.000) 14.697 13.345 ( 0.000 0.080 0.000) 0.080 13.368 ( 0.000 -7.415 0.000) 7.415 13.491 ( 0.000 -5.961 0.000) 5.961 13.565 ( 0.000 4.008 0.000) 4.008 14.189 ( 0.000 -0.418 0.000) 0.418 14.281 ( 0.000 -22.662 0.000) 22.662 14.335 ( 0.000 -7.223 0.000) 7.223 17.463 ( 0.000 4.927 0.000) 4.927 17.628 ( 0.000 -2.615 0.000) 2.615 17.970 ( 0.000 7.102 0.000) 7.102 18.368 ( 0.000 -10.058 0.000) 10.058 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.007 18.047 0.000) 18.075 1.301 ( 4.482 21.226 0.000) 21.694 1.727 ( -4.387 -9.677 0.000) 10.625 1.899 ( -4.341 8.304 0.000) 9.371 1.973 ( 2.628 -4.333 0.000) 5.068 2.255 ( -0.805 3.451 0.000) 3.543 2.261 ( -4.188 -6.835 0.000) 8.016 2.303 ( 3.993 6.229 0.000) 7.399 2.542 ( 3.976 9.445 0.000) 10.248 2.936 ( -2.894 3.087 0.000) 4.231 3.005 ( -4.090 -10.283 0.000) 11.067 3.243 ( -9.834 -1.580 0.000) 9.960 3.928 ( 15.390 0.798 0.000) 15.411 3.979 ( 13.245 -0.602 0.000) 13.258 4.069 ( -12.024 31.016 0.000) 33.265 4.885 ( 12.810 -9.759 0.000) 16.104 5.446 ( -2.377 12.083 0.000) 12.314 5.936 ( -14.915 -5.606 0.000) 15.933 6.353 ( 5.856 4.081 0.000) 7.138 6.482 ( -14.817 11.585 0.000) 18.809 6.604 ( 1.857 6.160 0.000) 6.434 6.775 ( 8.046 -10.020 0.000) 12.851 6.972 ( 3.411 -2.154 0.000) 4.034 7.086 ( 3.571 14.175 0.000) 14.618 7.343 ( -12.354 9.337 0.000) 15.486 7.672 ( 11.707 4.666 0.000) 12.602 7.829 ( 4.954 4.742 0.000) 6.857 7.875 ( 4.671 -2.126 0.000) 5.132 8.354 ( -0.946 -4.949 0.000) 5.039 8.366 ( -2.903 -3.341 0.000) 4.426 8.738 ( 14.004 -20.221 0.000) 24.597 8.900 ( 1.725 -15.765 0.000) 15.859 9.454 ( 0.507 8.732 0.000) 8.747 9.578 ( -9.050 7.766 0.000) 11.925 9.709 ( -4.157 6.255 0.000) 7.510 9.893 ( -1.333 -14.905 0.000) 14.964 9.929 ( -7.363 -8.019 0.000) 10.887 9.998 ( 4.859 -7.089 0.000) 8.595 10.719 ( -7.041 4.832 0.000) 8.540 10.806 ( -1.353 1.819 0.000) 2.267 11.189 ( -2.179 7.922 0.000) 8.216 11.213 ( -6.349 10.450 0.000) 12.228 11.534 ( -5.361 -7.079 0.000) 8.880 11.612 ( -5.290 -7.879 0.000) 9.490 12.532 ( 5.435 5.701 0.000) 7.877 12.788 ( 11.436 -3.052 0.000) 11.836 12.829 ( -0.635 10.489 0.000) 10.508 12.975 ( 2.957 10.899 0.000) 11.293 13.165 ( 6.711 8.927 0.000) 11.168 13.346 ( -0.028 0.314 0.000) 0.316 13.403 ( 3.599 -6.838 0.000) 7.727 13.517 ( 2.442 -5.025 0.000) 5.587 13.608 ( 4.811 4.786 0.000) 6.786 14.156 ( -3.061 -0.641 0.000) 3.127 14.250 ( -2.595 -18.301 0.000) 18.485 14.312 ( -2.417 -7.560 0.000) 7.937 17.454 ( 0.687 4.917 0.000) 4.965 17.697 ( 5.141 -7.167 0.000) 8.821 17.977 ( 0.604 6.770 0.000) 6.797 18.360 ( -0.941 -9.753 0.000) 9.798 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 1.913 8.898 0.000) 9.101 1.414 ( 7.158 12.111 0.000) 14.068 1.653 ( -2.527 -11.540 0.000) 11.814 1.829 ( -1.592 11.654 0.000) 11.762 1.920 ( -7.079 -10.924 0.000) 13.017 2.201 ( -1.593 -5.455 0.000) 5.683 2.209 ( -3.713 2.292 0.000) 4.363 2.424 ( 5.399 -0.610 0.000) 5.434 2.598 ( 1.100 5.941 0.000) 6.042 2.845 ( -6.433 6.899 0.000) 9.433 2.898 ( -7.004 -7.625 0.000) 10.354 3.000 ( -14.591 5.295 0.000) 15.522 3.980 ( 4.869 36.953 0.000) 37.272 4.266 ( 18.527 1.027 0.000) 18.555 4.311 ( 20.287 -0.754 0.000) 20.301 5.102 ( 8.838 -10.746 0.000) 13.913 5.605 ( 12.333 6.230 0.000) 13.818 5.752 ( 0.128 -6.597 0.000) 6.598 6.167 ( -16.084 14.630 0.000) 21.742 6.466 ( 6.162 2.879 0.000) 6.801 6.543 ( -11.827 5.518 0.000) 13.051 6.813 ( -1.586 -11.654 0.000) 11.762 7.029 ( 1.805 3.937 0.000) 4.331 7.170 ( 2.973 -3.105 0.000) 4.299 7.229 ( 7.372 21.730 0.000) 22.946 7.665 ( -5.607 9.890 0.000) 11.368 7.888 ( 0.630 -3.433 0.000) 3.491 8.132 ( 14.607 6.908 0.000) 16.159 8.279 ( -5.964 -2.272 0.000) 6.382 8.316 ( -2.618 1.625 0.000) 3.081 8.882 ( -4.695 -12.797 0.000) 13.631 9.056 ( 16.524 -24.169 0.000) 29.278 9.334 ( -15.517 8.171 0.000) 17.537 9.371 ( -10.098 5.691 0.000) 11.592 9.713 ( 5.273 7.456 0.000) 9.132 9.732 ( -12.972 -9.516 0.000) 16.088 9.874 ( 0.977 -14.130 0.000) 14.163 10.150 ( 10.432 -8.630 0.000) 13.539 10.571 ( -7.365 7.972 0.000) 10.854 10.765 ( -2.991 0.365 0.000) 3.014 11.086 ( -6.485 9.677 0.000) 11.649 11.110 ( -6.168 6.632 0.000) 9.057 11.390 ( -9.479 -4.983 0.000) 10.709 11.457 ( -10.493 -7.680 0.000) 13.003 12.705 ( 12.221 5.824 0.000) 13.537 12.848 ( 2.613 9.490 0.000) 9.844 13.003 ( 9.402 1.631 0.000) 9.543 13.027 ( 2.658 8.013 0.000) 8.442 13.277 ( 4.386 -1.402 0.000) 4.605 13.339 ( -0.291 0.278 0.000) 0.402 13.485 ( 3.795 -4.713 0.000) 6.051 13.574 ( 3.605 -3.421 0.000) 4.970 13.746 ( 8.892 5.570 0.000) 10.492 14.091 ( -3.309 -1.519 0.000) 3.641 14.207 ( -1.761 -11.652 0.000) 11.784 14.245 ( -4.331 -7.827 0.000) 8.945 17.516 ( 5.878 2.665 0.000) 6.454 17.782 ( 3.683 -10.263 0.000) 10.904 17.987 ( 0.278 5.644 0.000) 5.651 18.325 ( -3.019 -8.855 0.000) 9.356 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 3.678 5.253 0.000) 6.412 1.549 ( 5.543 4.324 0.000) 7.030 1.645 ( 1.505 -12.375 0.000) 12.466 1.764 ( -7.892 -5.852 0.000) 9.826 1.868 ( 5.555 12.220 0.000) 13.423 2.135 ( -3.402 2.782 0.000) 4.395 2.210 ( 2.630 -4.295 0.000) 5.036 2.447 ( -2.390 -9.889 0.000) 10.173 2.563 ( -4.733 3.501 0.000) 5.887 2.698 ( -10.204 5.667 0.000) 11.672 2.735 ( -11.005 7.099 0.000) 13.096 2.753 ( -7.749 -6.428 0.000) 10.068 4.223 ( 18.475 26.352 0.000) 32.183 4.604 ( 16.311 1.443 0.000) 16.375 4.673 ( 15.816 -1.295 0.000) 15.869 5.163 ( -2.262 -12.095 0.000) 12.305 5.706 ( 2.750 10.800 0.000) 11.144 5.935 ( -7.019 12.350 0.000) 14.205 6.025 ( 18.802 -1.284 0.000) 18.846 6.198 ( -20.864 8.425 0.000) 22.501 6.510 ( -3.103 -0.542 0.000) 3.150 6.897 ( 14.280 -9.263 0.000) 17.021 7.030 ( -1.825 7.073 0.000) 7.305 7.331 ( 10.593 -3.688 0.000) 11.217 7.433 ( 11.643 19.993 0.000) 23.136 7.576 ( -2.708 14.744 0.000) 14.991 7.880 ( 0.736 -0.703 0.000) 1.018 8.155 ( -6.236 -4.396 0.000) 7.630 8.252 ( -4.673 1.815 0.000) 5.013 8.332 ( 6.108 16.139 0.000) 17.256 8.727 ( -10.535 -11.658 0.000) 15.713 8.937 ( -21.577 4.512 0.000) 22.044 9.146 ( -11.239 8.115 0.000) 13.862 9.389 ( 12.456 -18.413 0.000) 22.231 9.456 ( -13.703 -10.799 0.000) 17.447 9.795 ( 1.752 -17.471 0.000) 17.559 9.988 ( 10.599 4.854 0.000) 11.658 10.374 ( 12.652 -8.551 0.000) 15.271 10.469 ( -3.573 6.006 0.000) 6.989 10.700 ( -3.242 -1.732 0.000) 3.676 10.970 ( -7.731 5.646 0.000) 9.573 10.971 ( -5.463 6.542 0.000) 8.523 11.191 ( -10.813 -2.895 0.000) 11.193 11.234 ( -12.361 -6.663 0.000) 14.043 12.917 ( 4.323 7.666 0.000) 8.801 12.962 ( 13.479 5.615 0.000) 14.602 13.083 ( 3.305 5.405 0.000) 6.336 13.108 ( 2.228 6.217 0.000) 6.605 13.283 ( -2.475 0.395 0.000) 2.506 13.415 ( 7.212 -7.308 0.000) 10.268 13.509 ( -1.484 -1.217 0.000) 1.919 13.642 ( 2.460 -3.422 0.000) 4.215 13.907 ( 7.291 4.274 0.000) 8.451 14.049 ( -0.661 -2.712 0.000) 2.792 14.160 ( -4.254 -6.615 0.000) 7.865 14.175 ( -1.788 -7.093 0.000) 7.315 17.669 ( 9.824 -0.167 0.000) 9.825 17.845 ( 3.145 -8.504 0.000) 9.067 17.981 ( -0.990 3.444 0.000) 3.584 18.237 ( -6.287 -7.385 0.000) 9.699 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 8.276 5.605 0.000) 9.995 1.507 ( -9.096 3.665 0.000) 9.807 1.691 ( 2.540 -10.288 0.000) 10.597 1.710 ( 0.768 -5.635 0.000) 5.687 2.005 ( 7.330 9.920 0.000) 12.334 2.092 ( -1.901 5.426 0.000) 5.749 2.295 ( 5.812 -3.511 0.000) 6.790 2.385 ( -3.313 -5.935 0.000) 6.797 2.456 ( -4.410 2.916 0.000) 5.287 2.492 ( -8.458 4.217 0.000) 9.451 2.600 ( -3.714 -3.181 0.000) 4.890 2.622 ( -5.250 -7.447 0.000) 9.111 4.596 ( 18.263 13.394 0.000) 22.648 4.807 ( -0.822 1.213 0.000) 1.466 4.891 ( 10.701 1.421 0.000) 10.795 5.066 ( -7.257 -5.013 0.000) 8.820 5.733 ( 1.599 12.851 0.000) 12.950 5.851 ( -11.975 13.311 0.000) 17.905 5.939 ( 5.861 3.163 0.000) 6.660 6.122 ( -9.235 -6.129 0.000) 11.084 6.649 ( 18.231 10.637 0.000) 21.107 6.934 ( -9.517 8.310 0.000) 12.634 7.218 ( 15.034 -9.033 0.000) 17.539 7.401 ( -4.060 -8.438 0.000) 9.364 7.583 ( 3.416 18.185 0.000) 18.503 7.613 ( 4.274 23.238 0.000) 23.628 8.008 ( 10.121 10.273 0.000) 14.422 8.068 ( -2.413 -0.358 0.000) 2.439 8.164 ( 0.511 -3.398 0.000) 3.436 8.375 ( -3.878 10.334 0.000) 11.038 8.528 ( -16.369 4.469 0.000) 16.968 8.532 ( -8.357 -8.515 0.000) 11.931 9.030 ( 0.623 5.488 0.000) 5.523 9.167 ( -12.537 -5.332 0.000) 13.624 9.640 ( 10.586 -21.156 0.000) 23.657 9.779 ( -3.825 -23.329 0.000) 23.641 10.207 ( 11.185 7.683 0.000) 13.570 10.384 ( -6.769 5.411 0.000) 8.666 10.601 ( 9.566 -9.394 0.000) 13.407 10.671 ( 0.033 -5.071 0.000) 5.071 10.860 ( -2.296 4.311 0.000) 4.884 10.893 ( -2.630 3.133 0.000) 4.091 11.009 ( -7.140 -0.665 0.000) 7.171 11.013 ( -9.151 -3.063 0.000) 9.651 13.001 ( 4.207 5.799 0.000) 7.164 13.066 ( -2.028 4.878 0.000) 5.283 13.150 ( 3.623 3.648 0.000) 5.141 13.209 ( 0.125 6.797 0.000) 6.799 13.256 ( 7.740 -0.721 0.000) 7.774 13.427 ( -7.056 1.173 0.000) 7.153 13.551 ( 6.348 -6.649 0.000) 9.192 13.640 ( -2.676 -4.713 0.000) 5.420 14.012 ( 3.897 1.311 0.000) 4.111 14.057 ( -0.072 -2.488 0.000) 2.489 14.102 ( -0.721 -3.923 0.000) 3.989 14.134 ( -2.460 -4.502 0.000) 5.130 17.865 ( 8.882 -2.812 0.000) 9.316 17.914 ( 5.375 -4.454 0.000) 6.980 17.948 ( -2.511 0.025 0.000) 2.511 18.086 ( -9.460 -5.388 0.000) 10.887 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 -15.461 0.000) 15.461 1.531 ( 0.000 15.461 0.000) 15.461 1.717 ( 0.000 -18.327 0.000) 18.327 1.717 ( 0.000 18.327 0.000) 18.327 2.115 ( 0.000 -9.336 0.000) 9.336 2.115 ( 0.000 9.336 0.000) 9.336 2.318 ( 0.000 -1.187 0.000) 1.187 2.318 ( 0.000 1.187 0.000) 1.187 2.776 ( 0.000 -13.885 0.000) 13.885 2.776 ( 0.000 13.885 0.000) 13.885 3.156 ( 0.000 -12.270 0.000) 12.270 3.156 ( 0.000 12.270 0.000) 12.270 3.805 ( 0.000 -2.197 0.000) 2.197 3.805 ( 0.000 2.197 0.000) 2.197 4.517 ( 0.000 -12.600 0.000) 12.600 4.517 ( 0.000 12.600 0.000) 12.600 6.016 ( 0.000 -16.865 0.000) 16.865 6.016 ( 0.000 16.865 0.000) 16.865 6.353 ( 0.000 -8.177 0.000) 8.177 6.353 ( 0.000 8.177 0.000) 8.177 6.676 ( 0.000 -3.799 0.000) 3.799 6.676 ( 0.000 3.799 0.000) 3.799 7.036 ( 0.000 -8.836 0.000) 8.836 7.036 ( 0.000 8.836 0.000) 8.836 7.658 ( 0.000 -9.215 0.000) 9.215 7.658 ( 0.000 9.215 0.000) 9.215 7.832 ( 0.000 -6.504 0.000) 6.504 7.832 ( 0.000 6.504 0.000) 6.504 8.387 ( 0.000 -4.465 0.000) 4.465 8.387 ( 0.000 4.465 0.000) 4.465 8.431 ( 0.000 -18.689 0.000) 18.689 8.431 ( 0.000 18.689 0.000) 18.689 9.619 ( 0.000 -9.721 0.000) 9.721 9.619 ( 0.000 9.721 0.000) 9.721 9.835 ( 0.000 -8.234 0.000) 8.234 9.835 ( 0.000 8.234 0.000) 8.234 9.869 ( 0.000 -5.256 0.000) 5.256 9.869 ( 0.000 5.256 0.000) 5.256 10.827 ( 0.000 -0.598 0.000) 0.598 10.827 ( 0.000 0.598 0.000) 0.598 11.401 ( 0.000 -9.456 0.000) 9.456 11.401 ( 0.000 9.456 0.000) 9.456 11.476 ( 0.000 -9.087 0.000) 9.087 11.476 ( 0.000 9.087 0.000) 9.087 12.588 ( 0.000 -3.569 0.000) 3.569 12.588 ( 0.000 3.569 0.000) 3.569 13.053 ( 0.000 -6.453 0.000) 6.453 13.053 ( 0.000 6.453 0.000) 6.453 13.312 ( 0.000 -4.706 0.000) 4.706 13.312 ( 0.000 4.706 0.000) 4.706 13.322 ( 0.000 -7.623 0.000) 7.623 13.322 ( 0.000 7.623 0.000) 7.623 13.808 ( 0.000 -20.063 0.000) 20.063 13.808 ( 0.000 20.063 0.000) 20.063 14.218 ( 0.000 -3.489 0.000) 3.489 14.218 ( 0.000 3.489 0.000) 3.489 17.559 ( 0.000 -4.041 0.000) 4.041 17.559 ( 0.000 4.041 0.000) 4.041 18.152 ( 0.000 -10.027 0.000) 10.027 18.152 ( 0.000 10.027 0.000) 10.027 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -4.722 -14.215 0.000) 14.978 1.478 ( -4.722 14.215 0.000) 14.978 1.706 ( -1.265 -17.146 0.000) 17.192 1.706 ( -1.265 17.146 0.000) 17.192 2.086 ( -2.437 -9.196 0.000) 9.513 2.086 ( -2.437 9.196 0.000) 9.513 2.324 ( 0.171 -3.336 0.000) 3.341 2.324 ( 0.171 3.336 0.000) 3.341 2.772 ( -0.656 -11.725 0.000) 11.743 2.772 ( -0.656 11.725 0.000) 11.743 3.125 ( -3.521 -9.748 0.000) 10.364 3.125 ( -3.521 9.748 0.000) 10.364 3.954 ( 14.386 -1.490 0.000) 14.463 3.954 ( 14.386 1.490 0.000) 14.463 4.580 ( 5.480 -19.321 0.000) 20.083 4.580 ( 5.480 19.321 0.000) 20.083 5.745 ( -13.636 -13.224 0.000) 18.995 5.745 ( -13.636 13.224 0.000) 18.995 6.525 ( 7.085 -11.814 0.000) 13.775 6.525 ( 7.085 11.814 0.000) 13.775 6.649 ( -4.596 -2.729 0.000) 5.345 6.649 ( -4.596 2.729 0.000) 5.345 7.014 ( -0.266 -7.409 0.000) 7.414 7.014 ( -0.266 7.409 0.000) 7.414 7.770 ( -4.832 -14.032 0.000) 14.841 7.770 ( -4.832 14.032 0.000) 14.841 7.796 ( 10.935 -5.820 0.000) 12.387 7.796 ( 10.935 5.820 0.000) 12.387 8.416 ( 4.356 -9.339 0.000) 10.305 8.416 ( 4.356 9.339 0.000) 10.305 8.486 ( 4.115 -18.663 0.000) 19.112 8.486 ( 4.115 18.663 0.000) 19.112 9.629 ( -0.754 -9.537 0.000) 9.566 9.629 ( -0.754 9.537 0.000) 9.566 9.753 ( -8.498 -8.669 0.000) 12.139 9.753 ( -8.498 8.669 0.000) 12.139 9.855 ( 0.529 -7.185 0.000) 7.204 9.855 ( 0.529 7.185 0.000) 7.204 10.799 ( -2.981 -2.357 0.000) 3.800 10.799 ( -2.981 2.357 0.000) 3.800 11.367 ( -3.639 -8.661 0.000) 9.395 11.367 ( -3.639 8.661 0.000) 9.395 11.426 ( -5.357 -9.750 0.000) 11.124 11.426 ( -5.357 9.750 0.000) 11.124 12.658 ( 7.556 -6.609 0.000) 10.039 12.658 ( 7.556 6.609 0.000) 10.039 13.042 ( -0.583 -7.362 0.000) 7.385 13.042 ( -0.583 7.362 0.000) 7.385 13.326 ( 0.936 -3.350 0.000) 3.478 13.326 ( 0.936 3.350 0.000) 3.478 13.374 ( 4.788 -6.611 0.000) 8.163 13.374 ( 4.788 6.611 0.000) 8.163 13.848 ( 3.993 -17.879 0.000) 18.320 13.848 ( 3.993 17.879 0.000) 18.320 14.187 ( -3.075 -3.813 0.000) 4.898 14.187 ( -3.075 3.813 0.000) 4.898 17.567 ( 1.112 -5.761 0.000) 5.867 17.567 ( 1.112 5.761 0.000) 5.867 18.151 ( -0.193 -9.664 0.000) 9.666 18.151 ( -0.193 9.664 0.000) 9.666 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -2.919 -12.315 0.000) 12.656 1.395 ( -2.919 12.315 0.000) 12.656 1.673 ( -1.816 -12.414 0.000) 12.546 1.673 ( -1.816 12.414 0.000) 12.546 2.052 ( -0.447 -9.016 0.000) 9.027 2.052 ( -0.447 9.016 0.000) 9.027 2.305 ( -2.357 -6.638 0.000) 7.044 2.305 ( -2.357 6.638 0.000) 7.044 2.738 ( -3.233 -7.424 0.000) 8.097 2.738 ( -3.233 7.424 0.000) 8.097 3.006 ( -9.129 -4.665 0.000) 10.252 3.006 ( -9.129 4.665 0.000) 10.252 4.289 ( 19.289 -1.198 0.000) 19.326 4.289 ( 19.289 1.198 0.000) 19.326 4.672 ( 3.960 -28.542 0.000) 28.815 4.672 ( 3.960 28.542 0.000) 28.815 5.708 ( 9.260 -2.515 0.000) 9.596 5.708 ( 9.260 2.515 0.000) 9.596 6.456 ( -14.420 -11.299 0.000) 18.319 6.456 ( -14.420 11.299 0.000) 18.319 6.579 ( 0.665 -8.993 0.000) 9.018 6.579 ( 0.665 8.993 0.000) 9.018 7.087 ( 7.117 -3.949 0.000) 8.139 7.087 ( 7.117 3.949 0.000) 8.139 7.705 ( -0.804 -16.173 0.000) 16.193 7.705 ( -0.804 16.173 0.000) 16.193 7.920 ( 1.174 -13.655 0.000) 13.705 7.920 ( 1.174 13.655 0.000) 13.705 8.527 ( -0.815 -17.757 0.000) 17.775 8.527 ( -0.815 17.757 0.000) 17.775 8.592 ( 12.881 -20.046 0.000) 23.827 8.592 ( 12.881 20.046 0.000) 23.827 9.526 ( -14.650 -9.890 0.000) 17.676 9.526 ( -14.650 9.890 0.000) 17.676 9.536 ( -7.880 -10.849 0.000) 13.409 9.536 ( -7.880 10.849 0.000) 13.409 9.959 ( 9.677 -9.705 0.000) 13.705 9.959 ( 9.677 9.705 0.000) 13.705 10.715 ( -5.534 -5.100 0.000) 7.526 10.715 ( -5.534 5.100 0.000) 7.526 11.260 ( -7.522 -7.172 0.000) 10.393 11.260 ( -7.522 7.172 0.000) 10.393 11.281 ( -9.214 -8.943 0.000) 12.840 11.281 ( -9.214 8.943 0.000) 12.840 12.862 ( 12.862 -9.072 0.000) 15.739 12.862 ( 12.862 9.072 0.000) 15.739 13.045 ( 1.001 -7.085 0.000) 7.155 13.045 ( 1.001 7.085 0.000) 7.155 13.330 ( -0.647 -1.954 0.000) 2.058 13.330 ( -0.647 1.954 0.000) 2.058 13.476 ( 5.285 -4.581 0.000) 6.994 13.476 ( 5.285 4.581 0.000) 6.994 13.942 ( 5.217 -12.434 0.000) 13.484 13.942 ( 5.217 12.434 0.000) 13.484 14.114 ( -4.147 -3.965 0.000) 5.737 14.114 ( -4.147 3.965 0.000) 5.737 17.611 ( 3.683 -6.363 0.000) 7.353 17.611 ( 3.683 6.363 0.000) 7.353 18.137 ( -1.498 -8.531 0.000) 8.661 18.137 ( -1.498 8.531 0.000) 8.661 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.521 -11.042 0.000) 11.326 1.390 ( 2.521 11.042 0.000) 11.326 1.645 ( -1.416 -5.228 0.000) 5.416 1.645 ( -1.416 5.228 0.000) 5.416 2.086 ( 4.063 -8.132 0.000) 9.090 2.086 ( 4.063 8.132 0.000) 9.090 2.247 ( -2.853 -7.907 0.000) 8.406 2.247 ( -2.853 7.907 0.000) 8.406 2.642 ( -6.735 -4.304 0.000) 7.993 2.642 ( -6.735 4.304 0.000) 7.993 2.792 ( -12.642 -1.698 0.000) 12.755 2.792 ( -12.642 1.698 0.000) 12.755 4.637 ( 16.083 -1.862 0.000) 16.190 4.637 ( 16.083 1.862 0.000) 16.190 4.762 ( 5.847 -24.309 0.000) 25.002 4.762 ( 5.847 24.309 0.000) 25.002 5.927 ( 8.159 -8.988 0.000) 12.139 5.927 ( 8.159 8.988 0.000) 12.139 6.174 ( -13.606 -8.703 0.000) 16.152 6.174 ( -13.606 8.703 0.000) 16.152 6.657 ( 10.434 -12.334 0.000) 16.155 6.657 ( 10.434 12.334 0.000) 16.155 7.201 ( 2.802 -8.373 0.000) 8.829 7.201 ( 2.802 8.373 0.000) 8.829 7.789 ( 10.488 -10.242 0.000) 14.660 7.789 ( 10.488 10.242 0.000) 14.660 7.898 ( -1.689 -15.144 0.000) 15.238 7.898 ( -1.689 15.144 0.000) 15.238 8.430 ( -9.342 -14.978 0.000) 17.653 8.430 ( -9.342 14.978 0.000) 17.653 8.778 ( 1.851 -20.447 0.000) 20.531 8.778 ( 1.851 20.447 0.000) 20.531 9.255 ( -10.199 -7.047 0.000) 12.397 9.255 ( -10.199 7.047 0.000) 12.397 9.391 ( -6.357 -16.300 0.000) 17.496 9.391 ( -6.357 16.300 0.000) 17.496 10.176 ( 12.231 -10.021 0.000) 15.812 10.176 ( 12.231 10.021 0.000) 15.812 10.609 ( -4.992 -6.488 0.000) 8.186 10.609 ( -4.992 6.488 0.000) 8.186 11.097 ( -8.939 -5.846 0.000) 10.681 11.097 ( -8.939 5.846 0.000) 10.681 11.100 ( -9.276 -6.056 0.000) 11.078 11.100 ( -9.276 6.056 0.000) 11.078 13.078 ( 2.267 -5.914 0.000) 6.334 13.078 ( 2.267 5.914 0.000) 6.334 13.097 ( 10.058 -6.149 0.000) 11.789 13.097 ( 10.058 6.149 0.000) 11.789 13.314 ( 0.100 -3.031 0.000) 3.033 13.314 ( 0.100 3.031 0.000) 3.033 13.548 ( 1.527 -4.761 0.000) 5.000 13.548 ( 1.527 4.761 0.000) 5.000 14.024 ( 3.071 -6.871 0.000) 7.526 14.024 ( 3.071 6.871 0.000) 7.526 14.050 ( -2.054 -3.021 0.000) 3.653 14.050 ( -2.054 3.021 0.000) 3.653 17.709 ( 6.523 -4.247 0.000) 7.784 17.709 ( 6.523 4.247 0.000) 7.784 18.087 ( -3.958 -6.519 0.000) 7.626 18.087 ( -3.958 6.519 0.000) 7.626 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 6.233 -9.078 0.000) 11.011 1.480 ( 6.233 9.078 0.000) 11.011 1.592 ( -4.657 -4.991 0.000) 6.826 1.592 ( -4.657 4.991 0.000) 6.826 2.189 ( 5.426 -7.068 0.000) 8.911 2.189 ( 5.426 7.068 0.000) 8.911 2.226 ( 0.480 -7.340 0.000) 7.356 2.226 ( 0.480 7.340 0.000) 7.356 2.516 ( -4.466 -3.257 0.000) 5.527 2.516 ( -4.466 3.257 0.000) 5.527 2.567 ( -9.456 -1.961 0.000) 9.657 2.567 ( -9.456 1.961 0.000) 9.657 4.858 ( 6.227 -3.258 0.000) 7.028 4.858 ( 6.227 3.258 0.000) 7.028 4.869 ( 4.020 -12.559 0.000) 13.187 4.869 ( 4.020 12.559 0.000) 13.187 5.966 ( -1.234 -9.172 0.000) 9.255 5.966 ( -1.234 9.172 0.000) 9.255 5.987 ( -5.212 -0.362 0.000) 5.224 5.987 ( -5.212 0.362 0.000) 5.224 6.950 ( 16.290 -15.565 0.000) 22.531 6.950 ( 16.290 15.565 0.000) 22.531 7.169 ( -6.276 -12.700 0.000) 14.166 7.169 ( -6.276 12.700 0.000) 14.166 7.917 ( 4.944 -12.578 0.000) 13.515 7.917 ( 4.944 12.578 0.000) 13.515 8.019 ( 4.252 -12.434 0.000) 13.141 8.019 ( 4.252 12.434 0.000) 13.141 8.269 ( 2.099 -14.586 0.000) 14.736 8.269 ( 2.099 14.586 0.000) 14.736 8.570 ( -19.153 -3.589 0.000) 19.486 8.570 ( -19.153 3.589 0.000) 19.486 9.228 ( 3.638 -14.057 0.000) 14.520 9.228 ( 3.638 14.057 0.000) 14.520 9.300 ( -3.749 -19.812 0.000) 20.164 9.300 ( -3.749 19.812 0.000) 20.164 10.394 ( 9.803 -9.920 0.000) 13.946 10.394 ( 9.803 9.920 0.000) 13.946 10.527 ( -4.512 -7.824 0.000) 9.032 10.527 ( -4.512 7.824 0.000) 9.032 10.955 ( -4.789 -2.227 0.000) 5.281 10.955 ( -4.818 -0.747 0.000) 4.876 10.955 ( -4.818 0.734 0.000) 4.874 10.955 ( -4.788 2.240 0.000) 5.286 13.127 ( 2.739 -5.105 0.000) 5.794 13.127 ( 2.739 5.105 0.000) 5.794 13.171 ( -1.201 -4.737 0.000) 4.886 13.171 ( -1.201 4.737 0.000) 4.886 13.397 ( 7.440 -8.199 0.000) 11.071 13.397 ( 7.440 8.199 0.000) 11.071 13.519 ( -4.469 -6.458 0.000) 7.854 13.519 ( -4.469 6.458 0.000) 7.854 14.041 ( 0.732 -1.291 0.000) 1.484 14.041 ( 0.732 1.291 0.000) 1.484 14.053 ( 0.095 -2.943 0.000) 2.945 14.053 ( 0.095 2.943 0.000) 2.945 17.848 ( 7.663 -1.405 0.000) 7.791 17.848 ( 7.663 1.405 0.000) 7.791 17.986 ( -6.505 -3.628 0.000) 7.448 17.986 ( -6.505 3.628 0.000) 7.448 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.554 ( 0.000 0.000 26.424) 26.424 0.619 ( 0.000 0.000 28.591) 28.591 1.118 ( 0.000 0.000 52.998) 52.998 1.673 ( 0.000 0.000 -6.252) 6.252 1.949 ( 0.000 0.000 0.210) 0.210 2.010 ( 0.000 0.000 15.566) 15.566 2.171 ( 0.000 0.000 -1.241) 1.241 2.314 ( 0.000 0.000 2.598) 2.598 2.423 ( 0.000 0.000 0.563) 0.563 2.449 ( 0.000 0.000 -7.419) 7.419 3.053 ( 0.000 0.000 -10.823) 10.823 3.196 ( 0.000 0.000 -18.102) 18.102 3.255 ( 0.000 0.000 -7.174) 7.174 3.962 ( 0.000 0.000 12.946) 12.946 3.989 ( 0.000 0.000 5.381) 5.381 5.285 ( 0.000 0.000 5.107) 5.107 5.316 ( 0.000 0.000 12.013) 12.013 5.810 ( 0.000 0.000 -12.465) 12.465 6.178 ( 0.000 0.000 7.680) 7.680 6.264 ( 0.000 0.000 -26.493) 26.493 6.397 ( 0.000 0.000 -3.425) 3.425 6.729 ( 0.000 0.000 -2.961) 2.961 6.798 ( 0.000 0.000 14.575) 14.575 7.281 ( 0.000 0.000 -1.445) 1.445 7.291 ( 0.000 0.000 -12.514) 12.514 7.481 ( 0.000 0.000 3.279) 3.279 7.588 ( 0.000 0.000 2.507) 2.507 7.628 ( 0.000 0.000 -14.200) 14.200 8.488 ( 0.000 0.000 11.013) 11.013 8.971 ( 0.000 0.000 9.971) 9.971 9.009 ( 0.000 0.000 1.804) 1.804 9.121 ( 0.000 0.000 5.397) 5.397 9.386 ( 0.000 0.000 -3.052) 3.052 9.443 ( 0.000 0.000 3.068) 3.068 9.599 ( 0.000 0.000 -4.900) 4.900 10.026 ( 0.000 0.000 -17.923) 17.923 10.052 ( 0.000 0.000 0.728) 0.728 10.151 ( 0.000 0.000 -6.634) 6.634 10.612 ( 0.000 0.000 -14.296) 14.296 10.630 ( 0.000 0.000 -2.334) 2.334 10.864 ( 0.000 0.000 -12.515) 12.515 11.025 ( 0.000 0.000 -3.224) 3.224 11.729 ( 0.000 0.000 -5.500) 5.500 11.881 ( 0.000 0.000 -1.655) 1.655 12.436 ( 0.000 0.000 1.522) 1.522 12.629 ( 0.000 0.000 3.284) 3.284 12.760 ( 0.000 0.000 2.600) 2.600 12.769 ( 0.000 0.000 11.524) 11.524 13.291 ( 0.000 0.000 -3.567) 3.567 13.531 ( 0.000 0.000 0.513) 0.513 13.542 ( 0.000 0.000 -2.437) 2.437 13.600 ( 0.000 0.000 8.883) 8.883 13.605 ( 0.000 0.000 0.441) 0.441 14.063 ( 0.000 0.000 4.506) 4.506 14.308 ( 0.000 0.000 5.417) 5.417 14.879 ( 0.000 0.000 4.212) 4.212 17.402 ( 0.000 0.000 7.618) 7.618 17.773 ( 0.000 0.000 -2.606) 2.606 17.798 ( 0.000 0.000 -2.812) 2.812 18.610 ( 0.000 0.000 -0.382) 0.382 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 17.436 0.000 16.177) 23.785 0.831 ( 17.899 0.000 17.948) 25.348 1.463 ( 31.193 0.000 34.346) 46.396 1.609 ( -7.871 0.000 -6.489) 10.201 1.956 ( 0.526 0.000 -0.234) 0.576 2.090 ( 8.873 0.000 13.537) 16.186 2.223 ( 4.400 0.000 -2.740) 5.183 2.302 ( -5.729 0.000 0.167) 5.732 2.331 ( -1.444 0.000 1.091) 1.810 2.480 ( 1.677 0.000 -3.358) 3.754 2.974 ( -5.386 0.000 -10.768) 12.040 3.095 ( -8.803 0.000 -12.498) 15.287 3.229 ( -4.421 0.000 -5.283) 6.889 3.976 ( 6.655 0.000 4.636) 8.111 4.055 ( 9.536 0.000 11.441) 14.895 5.343 ( 1.856 0.000 5.129) 5.455 5.504 ( 9.742 0.000 12.445) 15.804 5.903 ( 9.624 0.000 -10.871) 14.519 6.058 ( -15.693 0.000 -18.496) 24.256 6.159 ( -2.273 0.000 7.063) 7.419 6.394 ( -11.268 0.000 3.973) 11.948 6.617 ( 2.881 0.000 -21.975) 22.163 6.823 ( 1.578 0.000 11.992) 12.096 7.214 ( 0.252 0.000 4.784) 4.791 7.224 ( -5.707 0.000 -8.511) 10.247 7.587 ( 0.682 0.000 5.776) 5.816 7.616 ( 13.263 0.000 -1.089) 13.307 7.975 ( 14.957 0.000 -29.394) 32.980 8.161 ( -20.696 0.000 7.905) 22.155 8.887 ( -15.287 0.000 3.229) 15.625 8.961 ( -4.677 0.000 -6.858) 8.301 9.324 ( -1.443 0.000 2.900) 3.239 9.349 ( 0.157 0.000 12.179) 12.180 9.475 ( 15.110 0.000 -18.716) 24.054 9.624 ( 0.770 0.000 2.112) 2.248 9.988 ( -3.610 0.000 -16.110) 16.510 10.111 ( 5.802 0.000 1.324) 5.951 10.189 ( 2.378 0.000 -5.525) 6.015 10.556 ( -6.829 0.000 -7.245) 9.956 10.626 ( -0.393 0.000 -2.226) 2.260 10.851 ( -3.372 0.000 -8.039) 8.717 10.988 ( -0.573 0.000 -2.362) 2.430 11.645 ( -8.327 0.000 -5.026) 9.726 11.798 ( -3.838 0.000 0.884) 3.938 12.434 ( -11.314 0.000 15.712) 19.362 12.475 ( 4.039 0.000 0.450) 4.064 12.660 ( 3.252 0.000 3.608) 4.857 12.834 ( 2.357 0.000 16.567) 16.733 13.281 ( -1.144 0.000 -4.331) 4.479 13.545 ( 1.638 0.000 -1.271) 2.073 13.575 ( 2.797 0.000 -0.243) 2.808 13.617 ( 1.304 0.000 0.576) 1.426 13.639 ( 3.069 0.000 9.654) 10.130 14.202 ( 5.762 0.000 -3.309) 6.645 14.378 ( 5.561 0.000 2.629) 6.151 14.694 ( -12.544 0.000 8.622) 15.222 17.443 ( 4.302 0.000 7.263) 8.442 17.796 ( 0.641 0.000 -4.111) 4.160 18.019 ( 11.484 0.000 -14.139) 18.215 18.592 ( -1.984 0.000 -0.690) 2.100 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 18.694 0.000 7.644) 20.197 1.171 ( 16.172 0.000 8.146) 18.108 1.393 ( -13.185 0.000 -5.034) 14.113 1.958 ( -0.770 0.000 -1.910) 2.060 1.968 ( 11.699 0.000 -0.223) 11.702 2.206 ( -3.150 0.000 2.370) 3.942 2.221 ( -2.341 0.000 1.303) 2.680 2.301 ( 8.348 0.000 5.844) 10.190 2.377 ( 3.741 0.000 0.540) 3.780 2.519 ( 5.554 0.000 4.226) 6.979 2.869 ( -5.681 0.000 -9.888) 11.404 3.045 ( 10.336 0.000 1.518) 10.447 3.114 ( -6.252 0.000 -1.234) 6.373 4.232 ( 17.637 0.000 -6.134) 18.673 4.291 ( 13.961 0.000 9.362) 16.810 5.356 ( -0.740 0.000 -2.582) 2.686 5.558 ( -3.459 0.000 11.130) 11.655 5.783 ( -10.713 0.000 -6.198) 12.376 6.049 ( -8.118 0.000 5.211) 9.647 6.154 ( -8.554 0.000 1.185) 8.636 6.164 ( 14.477 0.000 -11.900) 18.741 6.759 ( 7.567 0.000 -23.382) 24.576 6.789 ( -5.300 0.000 2.377) 5.809 7.155 ( -1.003 0.000 -2.640) 2.824 7.288 ( 5.049 0.000 5.826) 7.709 7.577 ( -19.143 0.000 0.920) 19.165 7.665 ( 8.945 0.000 15.715) 18.082 7.980 ( 1.879 0.000 0.388) 1.919 8.151 ( 4.885 0.000 -22.252) 22.782 8.549 ( -17.810 0.000 -3.721) 18.194 8.707 ( -19.447 0.000 -25.780) 32.292 9.197 ( -10.882 0.000 2.870) 11.254 9.451 ( 12.862 0.000 8.394) 15.358 9.569 ( -7.231 0.000 11.714) 13.767 9.749 ( 6.317 0.000 -11.626) 13.231 9.910 ( -1.405 0.000 -8.383) 8.500 10.218 ( 2.136 0.000 -1.703) 2.732 10.251 ( 8.044 0.000 1.301) 8.148 10.444 ( -1.842 0.000 -1.098) 2.144 10.612 ( -1.150 0.000 -1.955) 2.268 10.775 ( -4.559 0.000 -6.525) 7.960 11.013 ( 1.834 0.000 1.656) 2.471 11.438 ( -12.751 0.000 -4.138) 13.406 11.707 ( -8.172 0.000 3.708) 8.974 12.419 ( 7.664 0.000 0.238) 7.668 12.578 ( 6.325 0.000 -3.023) 7.010 12.760 ( 7.569 0.000 5.362) 9.276 12.882 ( 2.480 0.000 9.730) 10.041 13.243 ( -2.940 0.000 -5.995) 6.677 13.572 ( 0.411 0.000 -1.547) 1.600 13.635 ( 3.392 0.000 0.529) 3.433 13.659 ( 3.104 0.000 1.100) 3.293 13.724 ( 5.932 0.000 9.956) 11.590 14.266 ( 1.808 0.000 2.254) 2.889 14.431 ( -0.668 0.000 1.995) 2.104 14.497 ( -7.789 0.000 6.903) 10.408 17.565 ( 8.470 0.000 6.113) 10.446 17.815 ( 1.406 0.000 -5.897) 6.062 18.111 ( -0.027 0.000 -9.659) 9.659 18.530 ( -4.660 0.000 -1.255) 4.827 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -8.375 0.000 -4.816) 9.661 1.406 ( 6.436 0.000 3.035) 7.115 1.482 ( 16.957 0.000 2.877) 17.199 1.883 ( -8.445 0.000 -6.377) 10.582 2.027 ( -8.085 0.000 1.472) 8.218 2.031 ( 1.763 0.000 -11.018) 11.158 2.140 ( -5.806 0.000 0.395) 5.820 2.370 ( -2.945 0.000 -2.191) 3.671 2.408 ( 0.991 0.000 2.728) 2.902 2.674 ( -2.607 0.000 1.975) 3.271 2.859 ( 10.550 0.000 4.676) 11.539 3.034 ( -1.705 0.000 3.087) 3.527 3.483 ( 30.859 0.000 6.079) 31.452 4.529 ( 9.190 0.000 7.901) 12.120 4.567 ( 16.110 0.000 -12.594) 20.448 5.317 ( -2.970 0.000 -3.942) 4.936 5.393 ( -12.824 0.000 -3.714) 13.351 5.716 ( 4.957 0.000 0.025) 4.957 5.778 ( -18.415 0.000 7.702) 19.961 6.149 ( 7.436 0.000 4.486) 8.684 6.468 ( 15.192 0.000 -15.805) 21.922 6.710 ( -1.387 0.000 -1.626) 2.137 6.789 ( -7.460 0.000 -14.796) 16.570 7.145 ( 0.522 0.000 -9.803) 9.817 7.204 ( -15.314 0.000 -1.762) 15.415 7.381 ( 3.808 0.000 3.901) 5.451 7.878 ( -11.100 0.000 -6.009) 12.622 7.878 ( 5.917 0.000 8.698) 10.520 8.220 ( -0.741 0.000 -3.715) 3.788 8.308 ( -5.665 0.000 -9.498) 11.059 8.361 ( -9.515 0.000 -14.229) 17.117 9.037 ( -3.339 0.000 -0.675) 3.407 9.349 ( -15.619 0.000 19.233) 24.776 9.625 ( -12.712 0.000 -7.907) 14.971 9.741 ( 16.419 0.000 5.228) 17.231 10.029 ( 8.770 0.000 4.885) 10.038 10.332 ( 8.624 0.000 -4.783) 9.862 10.370 ( 2.387 0.000 1.101) 2.629 10.456 ( 1.343 0.000 -1.864) 2.298 10.597 ( 1.192 0.000 -1.886) 2.231 10.662 ( -6.803 0.000 -11.052) 12.977 11.049 ( 2.269 0.000 9.017) 9.298 11.181 ( -13.904 0.000 -3.326) 14.296 11.506 ( -11.702 0.000 6.987) 13.629 12.618 ( 11.186 0.000 -9.039) 14.381 12.704 ( 6.896 0.000 -5.592) 8.879 12.917 ( 0.891 0.000 -0.070) 0.894 12.937 ( 9.296 0.000 5.542) 10.823 13.178 ( -2.699 0.000 -7.311) 7.793 13.544 ( -3.559 0.000 -0.898) 3.670 13.700 ( 3.151 0.000 0.510) 3.192 13.719 ( 2.769 0.000 1.304) 3.061 13.857 ( 7.748 0.000 7.252) 10.612 14.265 ( -2.471 0.000 0.325) 2.492 14.377 ( -2.659 0.000 6.102) 6.656 14.395 ( -4.260 0.000 10.308) 11.153 17.759 ( 11.663 0.000 4.139) 12.376 17.852 ( 2.507 0.000 -7.387) 7.800 18.068 ( -3.703 0.000 -7.214) 8.109 18.410 ( -8.039 0.000 -1.312) 8.146 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 4.919 0.000 -5.112) 7.095 1.323 ( -12.511 0.000 -3.613) 13.022 1.771 ( 13.279 0.000 1.321) 13.344 1.825 ( 3.880 0.000 -1.308) 4.095 1.922 ( -5.079 0.000 0.587) 5.112 1.984 ( -9.044 0.000 1.392) 9.151 2.118 ( 5.742 0.000 -11.058) 12.460 2.254 ( -7.678 0.000 -8.247) 11.268 2.455 ( 4.062 0.000 3.865) 5.607 2.559 ( -6.545 0.000 1.153) 6.646 3.015 ( 3.726 0.000 8.287) 9.086 3.032 ( 0.609 0.000 6.435) 6.464 4.090 ( 30.504 0.000 4.185) 30.790 4.530 ( -12.188 0.000 4.391) 12.955 4.841 ( 13.652 0.000 -11.746) 18.010 5.115 ( -15.214 0.000 -9.265) 17.813 5.290 ( 2.347 0.000 1.448) 2.758 5.446 ( -13.883 0.000 8.187) 16.118 5.962 ( 18.396 0.000 1.919) 18.496 6.268 ( -5.789 0.000 0.338) 5.798 6.624 ( 3.243 0.000 -7.987) 8.620 6.666 ( 5.471 0.000 -7.283) 9.109 6.720 ( 0.004 0.000 -4.720) 4.720 6.903 ( -17.957 0.000 -10.911) 21.012 7.270 ( 14.606 0.000 -24.140) 28.215 7.499 ( 8.287 0.000 1.303) 8.389 7.644 ( -21.671 0.000 -28.087) 35.476 7.672 ( -9.784 0.000 0.310) 9.789 8.182 ( 0.154 0.000 -5.491) 5.493 8.234 ( -4.279 0.000 -2.211) 4.816 8.566 ( 21.800 0.000 23.808) 32.280 8.991 ( -21.398 0.000 24.363) 32.425 9.109 ( 9.927 0.000 -1.464) 10.035 9.356 ( -14.658 0.000 -3.290) 15.022 10.046 ( 15.023 0.000 2.941) 15.308 10.208 ( 9.914 0.000 5.842) 11.507 10.288 ( -9.740 0.000 1.556) 9.864 10.381 ( -6.658 0.000 5.045) 8.354 10.508 ( 4.965 0.000 -12.017) 13.002 10.569 ( -2.431 0.000 -14.687) 14.887 10.709 ( 9.505 0.000 -2.112) 9.736 10.924 ( -12.741 0.000 -2.693) 13.022 11.124 ( 6.303 0.000 12.082) 13.628 11.290 ( -10.585 0.000 10.057) 14.601 12.803 ( 7.717 0.000 -10.414) 12.962 12.842 ( 7.456 0.000 -5.786) 9.437 12.903 ( -2.780 0.000 -7.311) 7.821 12.972 ( -5.261 0.000 -3.336) 6.229 13.254 ( 9.806 0.000 -0.927) 9.849 13.434 ( -7.960 0.000 -0.266) 7.965 13.746 ( 1.543 0.000 0.781) 1.729 13.754 ( 0.738 0.000 1.070) 1.300 14.011 ( 8.298 0.000 1.958) 8.526 14.166 ( -7.478 0.000 -2.242) 7.807 14.342 ( -0.839 0.000 12.985) 13.013 14.348 ( -0.949 0.000 12.075) 12.112 17.911 ( 3.691 0.000 -7.697) 8.536 17.989 ( -4.354 0.000 -7.189) 8.404 17.995 ( 12.696 0.000 1.739) 12.814 18.225 ( -11.190 0.000 -0.296) 11.194 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 0.000 21.671 14.719) 26.197 0.841 ( 0.000 17.348 14.036) 22.315 1.527 ( 0.000 29.181 30.047) 41.885 1.791 ( 0.000 6.090 -4.038) 7.308 1.916 ( 0.000 -3.107 0.644) 3.173 2.246 ( 0.000 6.822 -2.737) 7.351 2.297 ( 0.000 -1.558 1.828) 2.401 2.337 ( 0.000 -3.116 -0.149) 3.120 2.389 ( 0.000 -5.537 -7.950) 9.688 2.826 ( 0.000 6.034 -19.966) 20.858 3.142 ( 0.000 -6.480 -11.488) 13.189 3.201 ( 0.000 38.191 -12.900) 40.311 3.235 ( 0.000 -0.183 -12.371) 12.372 3.950 ( 0.000 0.911 9.334) 9.379 4.123 ( 0.000 9.570 10.586) 14.271 5.031 ( 0.000 -13.449 11.470) 17.676 5.313 ( 0.000 0.351 10.640) 10.646 5.878 ( 0.000 5.090 -10.798) 11.938 6.205 ( 0.000 0.103 -23.884) 23.884 6.372 ( 0.000 1.488 -2.546) 2.949 6.398 ( 0.000 15.678 4.714) 16.371 6.697 ( 0.000 -2.180 -1.563) 2.682 6.809 ( 0.000 2.138 10.647) 10.860 7.315 ( 0.000 3.158 -1.848) 3.659 7.316 ( 0.000 -5.359 1.588) 5.589 7.506 ( 0.000 9.526 -1.503) 9.644 7.520 ( 0.000 3.463 6.058) 6.978 8.008 ( 0.000 13.974 -19.450) 23.949 8.275 ( 0.000 -15.055 11.083) 18.695 8.641 ( 0.000 -15.837 4.201) 16.384 8.955 ( 0.000 -12.338 4.076) 12.994 9.292 ( 0.000 -11.573 7.971) 14.053 9.327 ( 0.000 12.130 7.521) 14.272 9.467 ( 0.000 5.898 -4.118) 7.193 9.625 ( 0.000 2.523 -4.396) 5.068 9.954 ( 0.000 -4.469 -4.696) 6.483 9.975 ( 0.000 -4.122 -16.072) 16.592 10.103 ( 0.000 -7.788 -7.490) 10.806 10.658 ( 0.000 2.025 -5.229) 5.608 10.683 ( 0.000 2.760 -14.492) 14.752 10.912 ( 0.000 4.881 -12.841) 13.738 11.103 ( 0.000 7.032 -1.658) 7.224 11.700 ( 0.000 -3.677 -3.063) 4.785 11.823 ( 0.000 -4.694 1.033) 4.806 12.441 ( 0.000 1.479 5.179) 5.386 12.703 ( 0.000 3.301 1.470) 3.614 12.763 ( 0.000 3.692 4.428) 5.766 12.787 ( 0.000 0.318 7.191) 7.198 13.156 ( 0.000 -7.031 19.612) 20.834 13.298 ( 0.000 0.588 -3.467) 3.517 13.494 ( 0.000 -3.719 0.482) 3.750 13.572 ( 0.000 -1.136 1.508) 1.888 13.624 ( 0.000 1.741 9.957) 10.108 14.271 ( 0.000 -3.280 4.296) 5.404 14.347 ( 0.000 5.371 -7.802) 9.471 14.758 ( 0.000 -11.072 7.261) 13.241 17.426 ( 0.000 2.149 5.807) 6.192 17.667 ( 0.000 -5.217 -1.091) 5.330 17.833 ( 0.000 3.427 -2.784) 4.415 18.539 ( 0.000 -6.564 -0.663) 6.597 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 11.391 12.126 12.152) 20.602 0.995 ( 13.041 16.059 12.177) 24.005 1.657 ( -0.649 8.660 0.603) 8.705 1.777 ( 9.915 16.185 12.130) 22.525 1.909 ( 0.094 -2.869 1.786) 3.381 2.251 ( -0.452 0.339 -1.425) 1.532 2.279 ( -3.993 -1.392 0.040) 4.229 2.335 ( 3.309 1.786 1.906) 4.216 2.412 ( 0.664 -2.643 -3.443) 4.391 2.767 ( -5.762 13.655 -17.992) 23.310 2.986 ( -11.818 17.971 -5.318) 22.156 3.098 ( -3.601 -3.152 -8.202) 9.496 3.233 ( -3.437 12.661 -5.198) 14.111 3.987 ( 6.690 1.625 5.663) 8.915 4.126 ( 8.072 4.952 13.425) 16.429 5.269 ( 11.883 -13.534 10.704) 20.951 5.375 ( 6.208 0.296 8.057) 10.175 5.901 ( -0.097 -0.677 -9.997) 10.020 6.068 ( -6.306 3.236 -17.390) 18.779 6.369 ( -6.415 15.680 5.095) 17.691 6.412 ( -6.237 5.729 4.099) 9.409 6.591 ( 2.794 -1.884 -18.801) 19.101 6.851 ( 3.268 3.361 9.954) 11.003 7.134 ( -2.882 -2.038 -0.658) 3.591 7.362 ( -6.489 4.720 2.688) 8.462 7.630 ( 12.404 2.034 -1.450) 12.653 7.734 ( 10.611 7.288 2.863) 13.187 8.022 ( -3.177 0.142 -6.777) 7.486 8.081 ( -9.188 -1.321 -8.182) 12.373 8.616 ( -4.135 -13.806 1.283) 14.469 9.138 ( -11.667 2.892 -7.202) 14.013 9.204 ( 8.075 -19.269 -5.508) 21.606 9.263 ( 1.311 -3.101 7.686) 8.391 9.437 ( 0.507 6.610 6.517) 9.296 9.666 ( 0.915 2.808 1.340) 3.243 9.922 ( -3.883 -4.613 -13.410) 14.703 10.029 ( 5.727 -4.423 -3.024) 7.843 10.143 ( 3.866 -7.581 -5.457) 10.109 10.575 ( -8.916 1.836 -7.578) 11.844 10.661 ( -0.769 2.288 -6.153) 6.610 10.931 ( -0.147 6.068 -10.073) 11.761 11.035 ( -4.013 5.364 -1.042) 6.780 11.612 ( -8.176 -3.461 -3.409) 9.511 11.778 ( -4.070 -3.365 2.082) 5.676 12.463 ( 1.761 3.386 5.554) 6.739 12.569 ( -2.949 7.100 1.455) 7.824 12.741 ( 2.660 7.148 2.999) 8.195 12.926 ( 3.878 7.061 11.250) 13.837 13.288 ( -0.866 0.366 -4.033) 4.141 13.324 ( 10.898 -13.173 5.090) 17.838 13.530 ( 3.557 -3.489 0.951) 5.073 13.586 ( 1.029 -1.186 0.909) 1.815 13.663 ( 4.428 1.994 10.867) 11.903 14.241 ( -1.333 -1.344 2.335) 3.006 14.382 ( 1.690 -0.780 -3.215) 3.715 14.625 ( -10.395 -6.904 8.905) 15.330 17.444 ( 3.158 0.538 6.169) 6.951 17.802 ( 4.752 -3.626 -5.704) 8.263 17.870 ( 6.499 -4.053 -4.310) 8.789 18.523 ( -1.809 -6.408 -0.980) 6.730 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 7.730 3.828 8.260) 11.943 1.262 ( 13.896 7.554 6.849) 17.236 1.528 ( -4.832 11.058 -3.976) 12.706 1.855 ( -2.281 -7.365 -2.127) 7.998 2.012 ( 0.861 -0.743 -3.995) 4.153 2.163 ( -6.926 -0.094 0.799) 6.973 2.281 ( 1.441 1.273 4.247) 4.662 2.421 ( 7.272 3.906 5.171) 9.740 2.460 ( 4.776 2.552 -0.696) 5.460 2.633 ( -7.180 12.344 -6.563) 15.716 2.807 ( -7.944 -1.841 -7.543) 11.108 3.025 ( -5.487 -6.184 -1.880) 8.479 3.303 ( 15.319 25.092 4.472) 29.737 4.232 ( 16.608 1.237 -2.524) 16.844 4.375 ( 16.200 4.768 8.743) 19.016 5.362 ( 0.274 -5.096 5.778) 7.709 5.482 ( 1.712 0.784 2.063) 2.793 5.789 ( -7.341 0.261 -10.209) 12.577 6.052 ( -4.037 -2.141 4.213) 6.215 6.225 ( 5.994 3.941 -11.264) 13.355 6.294 ( -10.433 18.537 5.724) 22.028 6.717 ( 5.985 -4.051 -21.773) 22.941 6.879 ( -1.047 7.909 3.659) 8.777 7.127 ( 1.388 -1.346 -0.787) 2.087 7.338 ( 4.230 1.061 8.972) 9.976 7.586 ( -15.032 2.467 1.691) 15.327 7.849 ( 3.655 13.228 7.353) 15.570 7.961 ( 1.579 -1.541 -2.601) 3.411 8.121 ( 5.829 -0.963 -14.669) 15.814 8.456 ( -11.556 -6.239 -5.742) 14.333 8.789 ( -20.783 4.560 -21.367) 30.154 9.086 ( -8.958 -7.562 -1.594) 11.831 9.524 ( 9.047 1.579 4.903) 10.411 9.553 ( 9.114 -9.756 6.721) 14.948 9.619 ( -1.376 -1.947 6.360) 6.792 9.812 ( -7.260 -4.131 -8.374) 11.828 10.147 ( 5.840 -6.348 -0.254) 8.629 10.259 ( 8.221 -5.244 -3.318) 10.300 10.418 ( -5.309 2.060 -1.005) 5.782 10.642 ( -1.298 1.698 -6.203) 6.561 10.862 ( -5.810 7.844 -4.877) 10.912 11.016 ( 0.100 0.627 -0.540) 0.834 11.421 ( -11.415 -1.863 -3.307) 12.030 11.651 ( -9.351 -5.386 3.986) 11.505 12.530 ( 6.537 8.868 -3.005) 11.420 12.630 ( 6.611 4.769 -1.758) 8.339 12.820 ( 5.909 5.671 4.075) 9.148 12.976 ( 1.638 7.917 6.167) 10.168 13.253 ( -2.750 0.899 -5.718) 6.409 13.483 ( 6.070 -8.955 0.869) 10.853 13.589 ( 0.764 -2.505 2.081) 3.345 13.622 ( 4.167 -1.678 0.445) 4.514 13.780 ( 7.049 3.140 9.803) 12.476 14.234 ( 0.202 -3.278 4.078) 5.236 14.377 ( -2.474 -4.956 0.024) 5.539 14.452 ( -7.000 -4.196 8.253) 11.606 17.550 ( 7.792 -1.050 5.284) 9.473 17.835 ( 1.049 1.461 -6.080) 6.341 17.977 ( 2.630 -9.667 -6.033) 11.695 18.466 ( -4.312 -5.941 -1.564) 7.506 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.992 2.425 -0.526) 3.887 1.472 ( 5.762 4.881 2.463) 7.944 1.613 ( 11.150 10.658 1.240) 15.474 1.784 ( -4.464 -6.366 -5.804) 9.702 1.944 ( -5.036 -5.771 1.945) 7.902 2.064 ( -2.108 0.974 -5.095) 5.599 2.247 ( -4.527 3.292 -0.993) 5.685 2.411 ( -2.803 1.610 -2.358) 4.001 2.441 ( -6.260 6.992 -2.122) 9.621 2.653 ( -5.855 -2.229 -2.135) 6.619 2.752 ( 8.897 -6.078 7.115) 12.912 2.930 ( -3.526 -8.101 2.338) 9.139 3.747 ( 28.421 21.105 4.852) 35.731 4.548 ( 15.674 1.617 -4.905) 16.503 4.673 ( 12.604 6.741 4.274) 14.919 5.284 ( -8.825 -4.708 -1.522) 10.117 5.429 ( -4.970 7.539 -6.595) 11.182 5.744 ( 3.974 3.656 -2.362) 5.894 5.956 ( -16.770 12.257 8.027) 22.268 6.102 ( 5.261 -1.025 2.853) 6.072 6.441 ( 9.478 -2.572 -14.033) 17.128 6.766 ( 0.450 -2.188 -15.686) 15.844 6.855 ( -0.936 10.531 -0.573) 10.588 7.153 ( 0.680 1.968 -4.447) 4.911 7.305 ( -9.433 10.198 -3.028) 14.218 7.456 ( 3.211 4.337 2.459) 5.930 7.826 ( -8.857 0.496 -7.656) 11.718 7.987 ( 2.957 5.303 7.017) 9.279 8.232 ( 2.627 -0.325 -1.458) 3.022 8.256 ( -8.580 -1.915 -14.228) 16.725 8.441 ( -9.545 6.460 -9.027) 14.640 8.953 ( -3.149 -6.813 -0.937) 7.564 9.378 ( -14.797 2.462 18.538) 23.847 9.555 ( -10.896 -5.549 -6.018) 13.628 9.813 ( 12.797 4.851 3.718) 14.182 9.846 ( 12.404 -14.932 4.968) 20.037 10.248 ( 4.037 -10.288 1.706) 11.182 10.366 ( 1.600 -3.250 -4.027) 5.417 10.420 ( 3.433 1.250 -1.045) 3.800 10.636 ( 2.438 2.521 -6.816) 7.665 10.723 ( -8.395 5.760 -7.012) 12.362 11.014 ( 0.161 -2.724 5.530) 6.166 11.193 ( -12.127 0.416 -1.273) 12.200 11.447 ( -11.402 -5.347 5.903) 13.908 12.690 ( 9.095 6.632 -8.578) 14.152 12.763 ( 6.830 5.179 -4.694) 9.772 12.954 ( 4.727 3.371 2.303) 6.246 13.004 ( 3.566 6.039 1.110) 7.100 13.191 ( -2.832 1.055 -7.109) 7.725 13.532 ( -2.155 -1.462 -0.703) 2.698 13.622 ( 4.000 -5.917 2.725) 7.644 13.697 ( 3.009 -1.688 0.839) 3.550 13.911 ( 6.522 3.468 6.384) 9.763 14.227 ( -1.780 -3.462 1.698) 4.247 14.314 ( -2.678 -5.652 6.390) 8.941 14.351 ( -4.189 -3.863 8.690) 10.392 17.732 ( 10.984 -2.294 3.477) 11.747 17.858 ( 1.537 0.569 -7.178) 7.362 17.984 ( -1.304 -6.738 -5.616) 8.868 18.354 ( -7.549 -5.188 -1.644) 9.306 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 5.800 5.924 -3.192) 8.884 1.384 ( -11.508 4.897 -3.356) 12.949 1.793 ( 4.562 -2.502 -0.664) 5.245 1.833 ( 8.444 4.559 0.434) 9.606 1.882 ( -0.217 -2.779 1.776) 3.306 2.022 ( -5.643 2.319 0.600) 6.131 2.180 ( 1.302 5.221 -8.480) 10.043 2.290 ( -8.189 3.145 -7.320) 11.425 2.427 ( 3.548 -1.915 2.463) 4.725 2.526 ( -6.425 -2.728 0.442) 6.994 2.864 ( 2.613 -11.046 8.222) 14.016 2.890 ( -1.119 -10.887 6.087) 12.524 4.303 ( 28.137 15.154 2.187) 32.033 4.715 ( -11.331 10.476 2.361) 15.611 4.821 ( 13.341 1.681 -5.050) 14.364 5.065 ( -12.539 -0.949 -5.284) 13.640 5.399 ( 4.114 8.970 -3.107) 10.346 5.597 ( -15.875 11.396 4.489) 20.051 5.949 ( 15.192 -0.397 3.263) 15.544 6.221 ( -6.753 -4.000 -0.788) 7.889 6.490 ( 9.316 -2.822 -7.270) 12.150 6.744 ( -9.139 4.613 -7.410) 12.638 6.947 ( 9.486 10.307 -14.771) 20.357 7.077 ( -6.888 16.717 -8.424) 19.947 7.257 ( 6.870 1.833 -14.234) 15.911 7.474 ( -7.915 -5.129 -11.083) 14.553 7.679 ( 1.206 10.679 -8.144) 13.484 7.851 ( -12.653 11.535 -8.222) 18.993 8.160 ( -0.200 -2.285 -5.697) 6.141 8.206 ( -3.682 -2.704 -1.943) 4.964 8.600 ( 19.015 2.965 21.574) 28.910 8.940 ( -8.470 -5.677 12.711) 16.296 9.117 ( -2.468 1.903 10.395) 10.852 9.300 ( -13.933 -4.652 -1.277) 14.745 10.072 ( 11.582 -11.560 6.082) 17.457 10.087 ( 13.793 1.755 1.839) 14.025 10.243 ( -5.144 -12.709 5.018) 14.600 10.318 ( -8.618 2.299 1.630) 9.067 10.473 ( 4.151 -2.263 -11.909) 12.813 10.563 ( -6.192 0.672 -14.080) 15.396 10.772 ( 8.990 4.444 -2.379) 10.307 10.956 ( -10.078 2.148 -2.630) 10.634 11.076 ( 4.904 -4.170 11.575) 13.244 11.235 ( -10.475 -4.840 8.897) 14.571 12.844 ( 6.551 4.076 -8.114) 11.197 12.888 ( 5.552 4.020 -6.295) 9.307 12.949 ( -1.798 4.269 -6.661) 8.113 13.019 ( -4.817 4.181 -4.803) 7.984 13.262 ( 9.606 0.763 -0.262) 9.640 13.435 ( -7.513 0.191 0.187) 7.517 13.696 ( 3.074 -4.342 1.622) 5.562 13.727 ( -0.014 -2.490 1.105) 2.724 14.028 ( 6.057 1.162 1.458) 6.337 14.147 ( -6.045 -1.761 -1.839) 6.559 14.292 ( -0.107 -4.880 13.218) 14.090 14.301 ( -1.159 -3.833 10.030) 10.799 17.894 ( 2.188 -1.373 -7.153) 7.605 17.928 ( 2.119 -4.235 -3.929) 6.154 17.972 ( 7.499 -2.784 -1.116) 8.076 18.180 ( -10.565 -4.191 -0.694) 11.387 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 18.540 3.904) 18.947 1.305 ( 0.000 21.307 4.516) 21.780 1.819 ( 0.000 -6.310 3.037) 7.003 1.862 ( 0.000 6.872 -3.678) 7.795 1.993 ( 0.000 0.046 5.252) 5.252 2.230 ( 0.000 -8.783 -7.674) 11.663 2.266 ( 0.000 -1.144 -1.815) 2.145 2.289 ( 0.000 3.224 1.878) 3.731 2.454 ( 0.000 10.801 -3.119) 11.242 2.797 ( 0.000 5.287 -11.296) 12.472 2.956 ( 0.000 -10.785 -8.071) 13.470 3.211 ( 0.000 -3.502 -11.881) 12.386 3.817 ( 0.000 14.411 5.362) 15.377 3.965 ( 0.000 0.021 11.607) 11.607 4.368 ( 0.000 13.483 11.586) 17.777 4.861 ( 0.000 -6.680 9.685) 11.766 5.451 ( 0.000 15.793 -4.546) 16.435 5.984 ( 0.000 3.965 -10.028) 10.783 6.230 ( 0.000 0.079 -21.384) 21.385 6.275 ( 0.000 -7.679 -7.127) 10.477 6.684 ( 0.000 1.527 0.300) 1.556 6.699 ( 0.000 4.395 10.292) 11.191 7.041 ( 0.000 17.491 -1.043) 17.522 7.211 ( 0.000 -3.727 10.244) 10.901 7.416 ( 0.000 8.173 -2.493) 8.544 7.641 ( 0.000 9.857 10.907) 14.701 7.722 ( 0.000 8.515 -4.639) 9.697 7.938 ( 0.000 -12.562 9.830) 15.951 8.225 ( 0.000 5.736 -10.263) 11.758 8.381 ( 0.000 -7.704 2.355) 8.056 8.639 ( 0.000 -15.798 3.985) 16.293 8.970 ( 0.000 -20.545 6.580) 21.573 9.512 ( 0.000 6.105 2.685) 6.669 9.584 ( 0.000 4.750 -7.960) 9.269 9.698 ( 0.000 4.047 -4.606) 6.131 9.872 ( 0.000 -4.576 -8.386) 9.553 9.879 ( 0.000 -4.765 -10.591) 11.614 9.885 ( 0.000 -9.695 -0.876) 9.735 10.695 ( 0.000 1.340 -9.124) 9.222 10.708 ( 0.000 0.465 -13.075) 13.083 11.075 ( 0.000 10.437 -10.700) 14.948 11.288 ( 0.000 9.980 0.449) 9.990 11.552 ( 0.000 -9.797 -1.611) 9.929 11.695 ( 0.000 -7.940 3.502) 8.678 12.520 ( 0.000 5.136 2.745) 5.823 12.677 ( 0.000 -2.756 1.685) 3.230 12.836 ( 0.000 6.235 0.271) 6.241 12.967 ( 0.000 11.143 3.006) 11.541 13.213 ( 0.000 6.168 6.576) 9.016 13.307 ( 0.000 -0.248 -3.139) 3.148 13.377 ( 0.000 -6.324 1.083) 6.416 13.516 ( 0.000 -4.910 2.438) 5.482 13.708 ( 0.000 7.591 14.781) 16.616 14.180 ( 0.000 -6.004 1.164) 6.116 14.336 ( 0.000 -3.189 0.739) 3.274 14.470 ( 0.000 -14.258 14.761) 20.523 17.481 ( 0.000 2.847 1.896) 3.420 17.591 ( 0.000 -2.682 -3.149) 4.136 17.944 ( 0.000 7.272 -2.617) 7.728 18.355 ( 0.000 -10.453 -1.362) 10.541 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 2.265 13.946 5.253) 15.074 1.378 ( 4.865 18.311 6.166) 19.924 1.760 ( -4.841 -7.619 3.017) 9.518 1.824 ( -3.376 8.177 -5.520) 10.428 1.985 ( -1.716 -3.950 1.277) 4.492 2.225 ( -1.375 -8.884 -3.563) 9.670 2.233 ( -1.852 -0.336 -1.907) 2.679 2.334 ( 4.405 2.413 1.433) 5.223 2.512 ( 4.525 8.532 -2.561) 9.991 2.780 ( -1.658 7.192 -10.908) 13.170 2.937 ( -2.340 -9.594 -6.646) 11.903 3.129 ( -8.107 -0.887 -9.841) 12.781 3.894 ( 5.051 22.654 0.549) 23.217 4.030 ( 7.188 1.923 7.502) 10.566 4.272 ( -0.920 13.514 13.785) 19.327 5.012 ( 10.874 -12.072 9.273) 18.707 5.468 ( 3.553 9.663 3.645) 10.921 5.878 ( -10.401 -2.688 -4.763) 11.751 6.150 ( 1.508 4.503 -15.699) 16.401 6.454 ( 8.000 -4.287 -18.845) 20.917 6.543 ( -13.358 6.655 1.358) 14.986 6.733 ( 2.316 4.881 10.200) 11.543 7.083 ( 3.026 15.069 0.226) 15.371 7.105 ( -3.046 -1.161 2.239) 3.955 7.414 ( -9.553 7.398 5.535) 13.290 7.703 ( 11.756 4.551 -1.032) 12.648 7.829 ( 4.723 1.036 -2.883) 5.629 7.899 ( -1.813 -4.152 6.807) 8.177 8.226 ( 0.989 8.872 -5.538) 10.505 8.395 ( 0.096 -5.914 1.429) 6.085 8.771 ( 10.710 -19.948 2.470) 22.776 8.960 ( -0.562 -16.704 4.511) 17.312 9.330 ( -14.205 5.668 -11.592) 19.190 9.547 ( -3.231 1.508 -4.676) 5.880 9.734 ( 0.153 3.408 -0.748) 3.493 9.821 ( -1.538 -4.222 -2.092) 4.957 9.918 ( 0.263 -7.534 -2.898) 8.077 9.952 ( 7.209 -5.931 -2.512) 9.667 10.633 ( -5.681 3.219 -9.171) 11.258 10.694 ( -1.347 0.715 -10.725) 10.832 11.082 ( 0.063 8.958 -9.291) 12.907 11.213 ( -6.526 10.537 0.078) 12.394 11.493 ( -5.894 -7.855 -2.440) 10.119 11.646 ( -5.471 -8.721 2.921) 10.702 12.561 ( 4.859 5.481 2.509) 7.743 12.720 ( 3.069 4.887 -1.722) 6.022 12.882 ( 4.058 4.250 1.882) 6.170 13.028 ( 6.163 4.939 3.388) 8.594 13.232 ( 1.805 3.701 3.808) 5.608 13.303 ( -0.609 0.421 -3.757) 3.829 13.420 ( 4.279 -6.325 1.571) 7.796 13.532 ( 1.453 -4.558 1.783) 5.106 13.752 ( 4.570 7.414 13.963) 16.457 14.165 ( -1.348 -5.474 1.753) 5.904 14.315 ( -2.202 -4.345 1.400) 5.068 14.420 ( -4.461 -11.030 13.758) 18.189 17.478 ( 1.156 2.731 2.392) 3.810 17.657 ( 4.967 -6.036 -3.441) 8.541 17.946 ( 0.140 6.854 -3.113) 7.529 18.343 ( -1.329 -10.180 -1.724) 10.410 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.938 7.019 8.105) 10.763 1.460 ( 4.772 10.637 4.046) 12.341 1.674 ( -3.545 -9.013 2.033) 9.896 1.785 ( 0.653 12.014 -4.063) 12.699 1.918 ( -5.276 -7.462 -0.069) 9.139 2.148 ( -4.379 -1.177 -3.646) 5.818 2.227 ( -0.501 -4.492 0.797) 4.590 2.414 ( 2.162 -6.659 -3.048) 7.636 2.575 ( 1.121 6.455 -1.855) 6.809 2.748 ( -1.293 8.840 -5.768) 10.634 2.857 ( -6.160 -5.586 -4.744) 9.574 2.932 ( -11.470 2.246 -5.052) 12.733 3.977 ( 7.913 32.096 1.359) 33.085 4.281 ( 17.124 3.100 1.424) 17.461 4.434 ( 14.513 2.238 10.017) 17.775 5.160 ( 3.498 -13.965 3.462) 14.807 5.605 ( 8.315 7.426 0.587) 11.164 5.740 ( -1.186 -1.555 -0.123) 1.960 6.165 ( -4.922 9.410 -5.655) 12.031 6.301 ( -4.759 5.610 -5.685) 9.298 6.562 ( 2.357 -5.314 -16.837) 17.813 6.665 ( -11.317 3.688 5.576) 13.144 7.072 ( -0.900 3.619 1.815) 4.147 7.169 ( 6.687 6.895 -1.327) 9.696 7.351 ( 5.101 9.688 9.515) 14.506 7.708 ( -5.356 8.216 2.600) 10.147 7.908 ( -0.317 -3.064 -2.108) 3.733 7.976 ( 7.853 -1.188 -9.359) 12.275 8.226 ( -4.862 4.506 -2.243) 6.998 8.390 ( 1.829 5.597 1.951) 6.203 8.746 ( -10.896 -10.305 -10.748) 18.451 9.042 ( -11.120 5.250 -13.913) 18.569 9.155 ( 14.232 -19.960 8.372) 25.904 9.505 ( -1.974 -8.683 -7.096) 11.387 9.653 ( -8.390 1.852 6.920) 11.033 9.812 ( -0.345 2.871 1.458) 3.239 9.924 ( 2.235 -9.738 4.683) 11.034 10.130 ( 10.490 -6.273 -1.317) 12.293 10.526 ( -4.417 6.465 -4.042) 8.812 10.663 ( -1.473 0.222 -10.122) 10.231 11.043 ( -5.231 6.189 -5.523) 9.807 11.072 ( -7.799 7.227 -2.023) 10.823 11.350 ( -8.638 -4.943 -2.071) 10.166 11.497 ( -9.422 -8.789 2.217) 13.074 12.707 ( 9.763 7.193 -0.271) 12.129 12.785 ( 4.165 9.338 -3.307) 10.746 12.959 ( 4.025 6.041 1.786) 7.476 13.136 ( 2.748 4.951 0.970) 5.745 13.270 ( -1.529 -0.027 -3.655) 3.962 13.303 ( 5.175 -5.060 0.838) 7.286 13.511 ( 3.866 -4.815 2.586) 6.694 13.570 ( 3.005 -3.664 -0.052) 4.738 13.867 ( 6.659 5.715 10.323) 13.548 14.141 ( -0.973 -5.186 3.362) 6.256 14.256 ( -3.683 -5.308 3.006) 7.126 14.329 ( -4.663 -6.991 10.996) 13.840 17.544 ( 5.692 0.974 2.611) 6.338 17.741 ( 3.618 -8.181 -3.724) 9.690 17.946 ( -0.269 5.480 -4.123) 6.863 18.300 ( -3.360 -9.361 -2.407) 10.233 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.465 7.120 5.178) 8.816 1.552 ( 2.215 1.798 0.624) 2.921 1.648 ( 1.691 -5.690 0.373) 5.947 1.799 ( -6.157 -7.518 2.456) 10.023 1.861 ( 6.776 11.566 -0.815) 13.430 2.092 ( -1.217 2.091 -3.795) 4.500 2.225 ( 0.775 -3.264 1.538) 3.690 2.393 ( -3.496 -7.005 -5.815) 9.752 2.544 ( -4.151 3.264 -0.794) 5.340 2.653 ( -10.961 5.101 -4.304) 12.833 2.737 ( -3.674 1.584 1.012) 4.127 2.762 ( -6.402 -6.837 0.921) 9.412 4.233 ( 17.761 23.695 1.002) 29.629 4.603 ( 15.240 3.423 -0.714) 15.636 4.728 ( 14.431 -1.043 5.515) 15.484 5.152 ( -3.518 -10.644 -1.169) 11.272 5.642 ( -1.712 11.589 -4.855) 12.681 5.856 ( 5.749 5.785 -6.991) 10.742 6.071 ( 1.803 4.551 5.604) 7.441 6.216 ( -15.447 1.415 -2.197) 15.667 6.431 ( -1.233 4.023 -5.245) 6.724 6.681 ( 10.435 -5.449 -15.805) 19.707 7.032 ( -3.983 7.022 -0.072) 8.073 7.321 ( 6.436 6.597 -4.019) 10.055 7.468 ( 2.298 7.886 2.153) 8.492 7.646 ( -1.488 17.580 1.589) 17.715 7.892 ( 0.164 4.033 -4.508) 6.051 8.060 ( 0.856 1.436 -4.379) 4.687 8.088 ( -3.500 -9.632 -3.675) 10.887 8.337 ( -10.651 2.004 -17.968) 20.984 8.620 ( 0.716 11.350 7.370) 13.551 8.844 ( -6.970 -0.125 -4.052) 8.063 9.397 ( -10.440 -10.330 -4.758) 15.438 9.428 ( -5.112 -4.709 14.859) 16.405 9.469 ( 7.507 -12.117 8.167) 16.428 9.821 ( 1.367 -13.629 1.739) 13.808 10.025 ( 7.946 1.818 3.135) 8.734 10.307 ( 7.293 -4.983 -3.747) 9.595 10.479 ( -1.801 5.765 0.977) 6.118 10.679 ( 4.856 0.793 -6.111) 7.846 10.849 ( -13.251 4.997 -5.857) 15.325 10.960 ( -4.366 -2.184 -2.661) 5.559 11.179 ( -9.089 -1.254 0.962) 9.225 11.313 ( -9.734 -6.529 3.437) 12.214 12.871 ( 5.631 9.431 -6.377) 12.701 12.890 ( 7.017 6.305 -3.737) 10.147 13.048 ( 4.333 5.350 2.258) 7.246 13.151 ( 1.630 6.775 -1.722) 7.178 13.211 ( -3.758 0.572 -6.589) 7.607 13.439 ( 7.089 -7.334 2.298) 10.455 13.534 ( -0.793 -1.850 2.485) 3.198 13.640 ( 2.829 -3.953 -0.005) 4.861 13.977 ( 4.585 2.873 4.940) 7.326 14.133 ( 0.248 -5.298 4.783) 7.142 14.187 ( -3.431 -4.668 4.226) 7.171 14.251 ( -3.328 -5.185 9.071) 10.966 17.686 ( 8.889 -1.385 1.500) 9.121 17.801 ( 2.951 -6.280 -4.084) 8.051 17.932 ( -1.288 3.285 -4.882) 6.024 18.210 ( -6.157 -7.992 -2.607) 10.420 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 5.913 7.789 1.112) 9.842 1.486 ( -7.448 4.573 -1.675) 8.899 1.709 ( 2.601 -5.981 1.077) 6.611 1.734 ( -0.861 -7.857 2.404) 8.262 2.011 ( 7.815 8.842 0.431) 11.808 2.092 ( -0.123 4.667 -0.403) 4.686 2.252 ( 1.680 0.116 -3.287) 3.693 2.318 ( -4.191 -2.231 -4.801) 6.752 2.442 ( -3.671 3.299 -1.593) 5.186 2.482 ( -5.798 0.622 -0.702) 5.874 2.660 ( -2.538 -7.920 4.928) 9.667 2.675 ( -3.349 -8.187 4.462) 9.907 4.587 ( 17.401 12.406 -1.066) 21.398 4.787 ( 0.169 2.655 -1.296) 2.959 4.930 ( 7.601 1.418 4.006) 8.708 5.055 ( -5.756 -3.653 -0.924) 6.879 5.640 ( 3.997 13.508 -6.654) 15.579 5.831 ( -14.194 9.360 -3.243) 17.309 5.969 ( 4.807 1.668 2.397) 5.625 6.107 ( -5.909 -6.893 -1.200) 9.158 6.569 ( 15.752 9.768 -7.998) 20.187 6.876 ( -13.116 9.150 -6.367) 17.213 6.991 ( 19.197 -5.194 -19.606) 27.927 7.308 ( -10.279 -5.818 -11.395) 16.412 7.454 ( 0.536 14.981 -6.096) 16.183 7.532 ( -8.098 19.411 -11.747) 24.090 7.992 ( 9.630 16.711 -3.167) 19.545 8.057 ( 0.530 -8.263 -3.953) 9.175 8.109 ( -1.587 -2.648 -1.005) 3.247 8.154 ( -5.995 13.459 -6.464) 16.089 8.668 ( 6.071 1.828 12.745) 14.235 8.795 ( -2.266 -5.859 11.559) 13.156 9.173 ( -7.664 0.705 6.274) 9.929 9.222 ( -9.653 1.332 10.566) 14.373 9.701 ( 9.930 -21.477 5.465) 24.285 9.821 ( -2.580 -22.885 3.601) 23.310 10.211 ( 10.969 5.881 0.375) 12.451 10.397 ( -7.286 5.123 1.174) 8.984 10.424 ( 6.201 -2.572 -8.856) 11.113 10.593 ( -12.133 0.824 -9.381) 15.359 10.840 ( 9.646 1.564 -1.768) 9.931 10.946 ( 3.411 -4.087 0.319) 5.333 11.014 ( -7.315 -0.025 4.534) 8.606 11.121 ( -10.457 -5.192 5.711) 12.996 12.962 ( 3.996 6.441 -4.772) 8.957 12.991 ( 3.003 5.285 -6.543) 8.931 13.056 ( -0.552 5.043 -5.621) 7.572 13.115 ( -4.767 3.564 -7.758) 9.779 13.296 ( 9.437 3.272 2.311) 10.252 13.450 ( -5.869 1.693 1.465) 6.281 13.581 ( 5.191 -6.601 2.692) 8.818 13.651 ( -1.725 -4.827 1.138) 5.251 14.045 ( 3.033 0.499 1.071) 3.256 14.107 ( -3.448 -1.321 0.648) 3.749 14.167 ( 1.690 -6.161 8.691) 10.787 14.204 ( -1.964 -4.916 8.783) 10.255 17.838 ( 4.285 -2.778 -3.756) 6.340 17.881 ( 4.655 -1.709 -2.993) 5.792 17.904 ( 1.571 -1.605 -3.331) 4.017 18.067 ( -8.798 -6.114 -1.831) 10.870 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -8.203 -2.233) 8.501 1.549 ( 0.000 8.203 -2.233) 8.501 1.773 ( 0.000 -11.151 6.800) 13.060 1.773 ( 0.000 11.151 6.800) 13.060 2.042 ( 0.000 -8.389 -6.106) 10.376 2.042 ( 0.000 8.389 -6.106) 10.376 2.282 ( 0.000 -2.399 -4.091) 4.743 2.282 ( 0.000 2.399 -4.091) 4.743 2.706 ( 0.000 -12.767 -5.978) 14.097 2.706 ( 0.000 12.767 -5.978) 14.097 3.047 ( 0.000 -12.414 -8.170) 14.862 3.047 ( 0.000 12.414 -8.170) 14.862 3.949 ( 0.000 -1.905 12.990) 13.129 3.949 ( 0.000 1.905 12.990) 13.129 4.653 ( 0.000 -12.818 11.563) 17.263 4.653 ( 0.000 12.818 11.563) 17.263 5.866 ( 0.000 -18.048 -10.324) 20.792 5.866 ( 0.000 18.048 -10.324) 20.792 6.190 ( 0.000 -2.219 -13.433) 13.615 6.190 ( 0.000 2.219 -13.433) 13.615 6.725 ( 0.000 -0.916 3.157) 3.287 6.725 ( 0.000 0.916 3.157) 3.287 7.177 ( 0.000 -0.229 7.192) 7.196 7.177 ( 0.000 0.229 7.192) 7.196 7.650 ( 0.000 -11.075 0.239) 11.077 7.650 ( 0.000 11.075 0.239) 11.077 7.863 ( 0.000 -2.783 3.736) 4.659 7.863 ( 0.000 2.783 3.736) 4.659 8.364 ( 0.000 -8.415 -0.764) 8.449 8.364 ( 0.000 8.415 -0.764) 8.449 8.482 ( 0.000 -19.576 4.742) 20.142 8.482 ( 0.000 19.576 4.742) 20.142 9.612 ( 0.000 -3.269 -5.125) 6.079 9.612 ( 0.000 3.269 -5.125) 6.079 9.763 ( 0.000 -1.009 -7.794) 7.860 9.763 ( 0.000 1.009 -7.794) 7.860 9.812 ( 0.000 -0.880 -1.776) 1.982 9.812 ( 0.000 0.880 -1.776) 1.982 10.712 ( 0.000 -0.244 -11.667) 11.670 10.712 ( 0.000 0.244 -11.667) 11.670 11.319 ( 0.000 -12.104 -5.324) 13.223 11.319 ( 0.000 12.104 -5.324) 13.223 11.501 ( 0.000 -10.166 2.260) 10.414 11.501 ( 0.000 10.166 2.260) 10.414 12.612 ( 0.000 -3.568 1.919) 4.051 12.612 ( 0.000 3.568 1.919) 4.051 13.020 ( 0.000 -8.181 -1.999) 8.421 13.020 ( 0.000 8.181 -1.999) 8.421 13.293 ( 0.000 -0.838 -1.584) 1.792 13.293 ( 0.000 0.838 -1.584) 1.792 13.370 ( 0.000 -6.847 4.169) 8.017 13.370 ( 0.000 6.847 4.169) 8.017 13.955 ( 0.000 -14.431 10.599) 17.905 13.955 ( 0.000 14.431 10.599) 17.905 14.301 ( 0.000 -1.422 9.291) 9.399 14.301 ( 0.000 1.422 9.291) 9.399 17.538 ( 0.000 -2.595 -1.685) 3.094 17.538 ( 0.000 2.595 -1.685) 3.094 18.131 ( 0.000 -10.361 -2.131) 10.578 18.131 ( 0.000 10.361 -2.131) 10.578 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.058 -10.611 0.493) 11.054 1.514 ( -3.058 10.611 0.493) 11.054 1.764 ( -1.605 -12.731 5.990) 14.161 1.764 ( -1.605 12.731 5.990) 14.161 2.027 ( -1.041 -9.287 -5.053) 10.624 2.027 ( -1.041 9.287 -5.053) 10.624 2.276 ( -0.486 -4.118 -4.816) 6.355 2.276 ( -0.486 4.118 -4.816) 6.355 2.719 ( 0.794 -10.828 -4.765) 11.856 2.719 ( 0.794 10.828 -4.765) 11.856 3.018 ( -3.219 -10.047 -8.067) 13.281 3.018 ( -3.219 10.047 -8.067) 13.281 4.049 ( 10.177 -0.733 8.903) 13.541 4.049 ( 10.177 0.733 8.903) 13.541 4.686 ( 2.760 -19.611 8.737) 21.646 4.686 ( 2.760 19.611 8.737) 21.646 5.730 ( -6.995 -11.846 -0.186) 13.759 5.730 ( -6.995 11.846 -0.186) 13.759 6.288 ( 5.415 -8.719 -17.982) 20.705 6.288 ( 5.415 8.719 -17.982) 20.705 6.714 ( -3.076 -5.873 4.452) 7.986 6.714 ( -3.076 5.873 4.452) 7.986 7.110 ( -3.545 -2.753 4.748) 6.534 7.110 ( -3.545 2.753 4.748) 6.534 7.748 ( 5.457 -7.396 -2.893) 9.636 7.748 ( 5.457 7.396 -2.893) 9.636 7.820 ( -1.410 -7.124 3.678) 8.140 7.820 ( -1.410 7.124 3.678) 8.140 8.396 ( 2.199 -9.426 -1.086) 9.740 8.396 ( 2.199 9.426 -1.086) 9.740 8.556 ( 7.353 -15.867 6.544) 18.672 8.556 ( 7.353 15.867 6.544) 18.672 9.462 ( -11.994 -6.874 -14.584) 20.095 9.462 ( -11.994 6.874 -14.584) 20.095 9.791 ( 0.539 -3.129 1.888) 3.694 9.791 ( 0.539 3.129 1.888) 3.694 9.855 ( 3.954 -3.759 -0.701) 5.500 9.855 ( 3.954 3.759 -0.701) 5.500 10.686 ( -2.443 -1.565 -11.172) 11.543 10.686 ( -2.443 1.565 -11.172) 11.543 11.295 ( -3.074 -10.616 -4.942) 12.107 11.295 ( -3.074 10.616 -4.942) 12.107 11.439 ( -6.101 -10.721 1.164) 12.390 11.439 ( -6.101 10.721 1.164) 12.390 12.678 ( 6.844 -5.461 1.600) 8.901 12.678 ( 6.844 5.461 1.600) 8.901 13.039 ( 1.928 -7.691 -0.123) 7.930 13.039 ( 1.928 7.691 -0.123) 7.930 13.296 ( -0.054 -1.231 -2.591) 2.869 13.296 ( -0.054 1.231 -2.591) 2.869 13.401 ( 3.144 -6.061 3.020) 7.466 13.401 ( 3.144 6.061 3.020) 7.466 13.973 ( 1.820 -12.272 8.792) 15.205 13.973 ( 1.820 12.272 8.792) 15.205 14.275 ( -2.562 -1.879 9.705) 10.212 14.275 ( -2.562 1.879 9.705) 10.212 17.552 ( 1.601 -4.266 -1.226) 4.719 17.552 ( 1.601 4.266 -1.226) 4.719 18.126 ( -0.657 -10.033 -2.569) 10.377 18.126 ( -0.657 10.033 -2.569) 10.377 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -1.961 -9.031 4.409) 10.240 1.460 ( -1.961 9.031 4.409) 10.240 1.711 ( -3.241 -10.855 3.514) 11.861 1.711 ( -3.241 10.855 3.514) 11.861 2.020 ( 0.657 -9.405 -2.870) 9.855 2.020 ( 0.657 9.405 -2.870) 9.855 2.261 ( -1.282 -6.121 -4.135) 7.497 2.261 ( -1.282 6.121 -4.135) 7.497 2.711 ( -2.079 -7.002 -2.637) 7.765 2.711 ( -2.079 7.002 -2.637) 7.765 2.917 ( -7.463 -4.892 -6.870) 11.261 2.917 ( -7.463 4.892 -6.870) 11.261 4.307 ( 15.847 -2.756 1.898) 16.197 4.307 ( 15.847 2.756 1.898) 16.197 4.739 ( 3.194 -24.527 5.704) 25.383 4.739 ( 3.194 24.527 5.704) 25.383 5.726 ( 6.069 -2.717 2.041) 6.956 5.726 ( 6.069 2.717 2.041) 6.956 6.329 ( -2.042 -7.146 -14.857) 16.612 6.329 ( -2.042 7.146 -14.857) 16.612 6.569 ( -9.301 -9.676 3.366) 13.837 6.569 ( -9.301 9.676 3.366) 13.837 7.136 ( 5.418 -3.753 2.734) 7.135 7.136 ( 5.418 3.753 2.734) 7.135 7.762 ( 1.240 -15.288 5.151) 16.180 7.762 ( 1.240 15.288 5.151) 16.180 7.869 ( 1.932 -7.106 -4.624) 8.695 7.869 ( 1.932 7.106 -4.624) 8.695 8.368 ( -6.477 -13.202 -10.380) 18.000 8.368 ( -6.477 13.202 -10.380) 18.000 8.756 ( 12.447 -16.609 10.332) 23.185 8.756 ( 12.447 16.609 10.332) 23.185 9.241 ( -9.843 -12.681 -15.301) 22.177 9.241 ( -9.843 12.681 -15.301) 22.177 9.721 ( -7.233 -4.881 6.394) 10.818 9.721 ( -7.233 4.881 6.394) 10.818 9.986 ( 9.029 -7.300 1.934) 11.771 9.986 ( 9.029 7.300 1.934) 11.771 10.636 ( -2.192 -3.335 -8.055) 8.990 10.636 ( -2.192 3.335 -8.055) 8.990 11.157 ( -11.586 -4.542 -4.770) 13.328 11.157 ( -11.586 4.542 -4.770) 13.328 11.319 ( -5.687 -6.646 0.084) 8.747 11.319 ( -5.687 6.646 0.084) 8.747 12.843 ( 9.144 -4.869 -1.273) 10.437 12.843 ( 9.144 4.869 -1.273) 10.437 13.095 ( 4.223 -7.379 3.479) 9.187 13.095 ( 4.223 7.379 3.479) 9.187 13.280 ( -1.522 -1.010 -4.166) 4.549 13.280 ( -1.522 1.010 -4.166) 4.549 13.479 ( 4.581 -3.334 1.128) 5.777 13.479 ( 4.581 3.334 1.128) 5.777 14.012 ( 1.885 -7.354 4.592) 8.872 14.012 ( 1.885 7.354 4.592) 8.872 14.216 ( -3.239 -2.261 10.517) 11.235 14.216 ( -3.239 2.261 10.517) 11.235 17.603 ( 3.853 -4.790 -0.656) 6.182 17.603 ( 3.853 4.790 -0.656) 6.182 18.102 ( -1.972 -9.006 -3.449) 9.843 18.102 ( -1.972 9.006 -3.449) 9.843 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 1.649 -8.299 5.418) 10.047 1.456 ( 1.649 8.299 5.418) 10.047 1.659 ( -2.298 -4.972 1.290) 5.627 1.659 ( -2.298 4.972 1.290) 5.627 2.063 ( 4.048 -6.976 -2.353) 8.402 2.063 ( 4.048 6.976 -2.353) 8.402 2.233 ( -1.171 -5.993 -1.244) 6.232 2.233 ( -1.171 5.993 -1.244) 6.232 2.634 ( -5.909 -4.945 -0.771) 7.743 2.634 ( -5.909 4.945 -0.771) 7.743 2.742 ( -10.377 -2.251 -4.026) 11.356 2.742 ( -10.377 2.251 -4.026) 11.356 4.606 ( 14.449 -7.368 -2.088) 16.353 4.606 ( 14.449 7.368 -2.088) 16.353 4.826 ( 5.691 -16.471 5.160) 18.174 4.826 ( 5.691 16.471 5.160) 18.174 5.862 ( 5.234 -7.310 -4.948) 10.262 5.862 ( 5.234 7.310 -4.948) 10.262 6.166 ( -12.359 -4.650 -2.155) 13.380 6.166 ( -12.359 4.650 -2.155) 13.380 6.549 ( 8.059 -6.792 -8.729) 13.685 6.549 ( 8.059 6.792 -8.729) 13.685 7.217 ( 0.554 -9.448 0.265) 9.468 7.217 ( 0.554 9.448 0.265) 9.468 7.804 ( -0.184 -15.952 -0.306) 15.956 7.804 ( -0.184 15.952 -0.306) 15.956 7.931 ( 7.425 -4.183 2.896) 9.001 7.931 ( 7.425 4.183 2.896) 9.001 8.185 ( -8.958 -12.510 -16.769) 22.758 8.185 ( -8.958 12.510 -16.769) 22.758 8.904 ( -2.122 -8.494 6.003) 10.616 8.904 ( -2.122 8.494 6.003) 10.616 9.151 ( 3.220 -4.673 -3.265) 6.547 9.151 ( 3.220 4.673 -3.265) 6.547 9.552 ( -9.376 -8.099 9.805) 15.800 9.552 ( -9.376 8.099 9.805) 15.800 10.164 ( 9.113 -7.894 -0.991) 12.097 10.164 ( 9.113 7.894 -0.991) 12.097 10.624 ( 0.456 -6.267 0.723) 6.325 10.624 ( 0.456 6.267 0.723) 6.325 10.917 ( -11.355 -2.299 -9.011) 14.677 10.917 ( -11.355 2.299 -9.011) 14.677 11.200 ( -7.278 -3.852 2.255) 8.538 11.200 ( -7.278 3.852 2.255) 8.538 12.980 ( 5.065 -0.713 -4.857) 7.054 12.980 ( 5.065 0.713 -4.857) 7.054 13.170 ( 0.405 -4.611 -0.516) 4.657 13.170 ( 0.405 4.611 -0.516) 4.657 13.282 ( 4.741 -6.353 0.089) 7.928 13.282 ( 4.741 6.353 0.089) 7.928 13.549 ( 1.964 -3.596 0.656) 4.150 13.549 ( 1.964 3.596 0.656) 4.150 14.038 ( 1.051 -3.337 2.062) 4.061 14.038 ( 1.051 3.337 2.062) 4.061 14.164 ( -2.246 -2.275 9.273) 9.808 14.164 ( -2.246 2.275 9.273) 9.808 17.699 ( 6.045 -2.868 -1.035) 6.770 17.699 ( 6.045 2.868 -1.035) 6.770 18.046 ( -3.997 -7.167 -3.924) 9.096 18.046 ( -3.997 7.167 -3.924) 9.096 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 4.507 -7.660 3.350) 9.498 1.518 ( 4.507 7.660 3.350) 9.498 1.604 ( -3.918 -4.038 1.063) 5.726 1.604 ( -3.918 4.038 1.063) 5.726 2.164 ( 5.761 -3.489 -2.277) 7.109 2.164 ( 5.761 3.489 -2.277) 7.109 2.228 ( -0.267 -3.509 -0.139) 3.522 2.228 ( -0.267 3.509 -0.139) 3.522 2.519 ( -4.043 -5.099 0.386) 6.519 2.519 ( -4.043 5.099 0.386) 6.519 2.559 ( -7.530 -4.400 -0.473) 8.734 2.559 ( -7.530 4.400 -0.473) 8.734 4.829 ( 8.547 -7.411 -1.249) 11.381 4.829 ( 8.547 7.411 -1.249) 11.381 4.906 ( 0.910 -5.309 2.395) 5.895 4.906 ( 0.910 5.309 2.395) 5.895 5.904 ( 1.025 -9.800 -5.026) 11.061 5.904 ( 1.025 9.800 -5.026) 11.061 5.972 ( -6.958 -3.130 -1.896) 7.862 5.972 ( -6.958 3.130 -1.896) 7.862 6.811 ( 17.098 -11.299 -13.313) 24.439 6.811 ( 17.098 11.299 -13.313) 24.439 7.108 ( -12.009 -11.575 -7.903) 18.457 7.108 ( -12.009 11.575 -7.903) 18.457 7.797 ( 1.612 -14.516 -5.923) 15.760 7.797 ( 1.612 14.516 -5.923) 15.760 7.892 ( -7.832 -12.810 -11.797) 19.095 7.892 ( -7.832 12.810 -11.797) 19.095 8.330 ( 19.123 -7.078 7.492) 21.724 8.330 ( 19.123 7.078 7.492) 21.724 8.694 ( -16.990 -6.721 5.646) 19.123 8.694 ( -16.990 6.721 5.646) 19.123 9.278 ( 6.926 -13.826 5.474) 16.404 9.278 ( 6.926 13.826 5.474) 16.404 9.399 ( -6.566 -13.683 8.474) 17.383 9.399 ( -6.566 13.683 8.474) 17.383 10.335 ( 9.523 -5.464 -3.953) 11.669 10.335 ( 9.523 5.464 -3.953) 11.669 10.534 ( -10.330 -6.306 -0.427) 12.110 10.534 ( -10.330 6.306 -0.428) 12.110 10.872 ( 6.654 -2.507 -2.855) 7.662 10.872 ( 6.654 2.507 -2.855) 7.662 11.040 ( -9.339 -2.518 2.882) 10.092 11.040 ( -9.339 2.518 2.882) 10.092 13.057 ( 3.523 -0.936 -5.746) 6.805 13.057 ( 3.523 0.936 -5.746) 6.805 13.124 ( -3.487 -1.879 -5.456) 6.742 13.124 ( -3.487 1.879 -5.456) 6.742 13.422 ( 7.551 -7.815 2.721) 11.202 13.422 ( 7.551 7.815 2.721) 11.202 13.533 ( -3.663 -5.670 1.595) 6.936 13.533 ( -3.663 5.670 1.595) 6.936 14.069 ( 2.431 -2.634 2.999) 4.673 14.069 ( 2.431 2.634 2.999) 4.673 14.120 ( -2.567 -2.598 5.628) 6.709 14.120 ( -2.567 2.598 5.628) 6.709 17.825 ( 6.906 -1.566 -2.262) 7.433 17.825 ( 6.906 1.566 -2.262) 7.433 17.950 ( -6.002 -4.482 -3.475) 8.258 17.950 ( -6.002 4.482 -3.475) 8.258 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.043 ( 0.000 0.000 22.033) 22.033 1.112 ( 0.000 0.000 20.052) 20.052 1.547 ( 0.000 0.000 -5.546) 5.546 1.933 ( 0.000 0.000 -2.298) 2.298 2.033 ( 0.000 0.000 27.169) 27.169 2.165 ( 0.000 0.000 9.508) 9.508 2.226 ( 0.000 0.000 -11.260) 11.260 2.408 ( 0.000 0.000 3.909) 3.909 2.438 ( 0.000 0.000 1.109) 1.109 2.444 ( 0.000 0.000 27.415) 27.415 2.748 ( 0.000 0.000 -24.556) 24.556 2.755 ( 0.000 0.000 -17.920) 17.920 3.137 ( 0.000 0.000 -3.550) 3.550 4.042 ( 0.000 0.000 -1.798) 1.798 4.320 ( 0.000 0.000 22.024) 22.024 5.432 ( 0.000 0.000 -2.551) 2.551 5.492 ( 0.000 0.000 -19.119) 19.119 5.562 ( 0.000 0.000 -26.945) 26.945 5.645 ( 0.000 0.000 19.819) 19.819 6.305 ( 0.000 0.000 -5.032) 5.032 6.349 ( 0.000 0.000 8.506) 8.506 6.685 ( 0.000 0.000 -1.397) 1.397 6.970 ( 0.000 0.000 -19.305) 19.305 7.169 ( 0.000 0.000 21.640) 21.640 7.216 ( 0.000 0.000 -5.007) 5.007 7.403 ( 0.000 0.000 -9.608) 9.608 7.601 ( 0.000 0.000 8.554) 8.554 7.629 ( 0.000 0.000 2.021) 2.021 8.562 ( 0.000 0.000 -2.494) 2.494 9.038 ( 0.000 0.000 -0.413) 0.413 9.041 ( 0.000 0.000 -8.791) 8.791 9.181 ( 0.000 0.000 -6.391) 6.391 9.263 ( 0.000 0.000 -9.618) 9.618 9.496 ( 0.000 0.000 -0.218) 0.218 9.613 ( 0.000 0.000 -14.399) 14.399 9.643 ( 0.000 0.000 14.219) 14.219 9.986 ( 0.000 0.000 -7.247) 7.247 10.089 ( 0.000 0.000 3.021) 3.021 10.378 ( 0.000 0.000 -7.959) 7.959 10.565 ( 0.000 0.000 -3.917) 3.917 10.584 ( 0.000 0.000 -13.798) 13.798 10.976 ( 0.000 0.000 -0.613) 0.613 11.567 ( 0.000 0.000 -10.526) 10.526 11.835 ( 0.000 0.000 -3.767) 3.767 12.488 ( 0.000 0.000 3.821) 3.821 12.724 ( 0.000 0.000 5.877) 5.877 12.811 ( 0.000 0.000 2.177) 2.177 12.886 ( 0.000 0.000 0.725) 0.725 13.203 ( 0.000 0.000 -4.704) 4.704 13.486 ( 0.000 0.000 -3.098) 3.098 13.536 ( 0.000 0.000 -0.089) 0.089 13.600 ( 0.000 0.000 -1.110) 1.110 13.927 ( 0.000 0.000 20.918) 20.918 14.185 ( 0.000 0.000 8.129) 8.129 14.413 ( 0.000 0.000 4.043) 4.043 14.995 ( 0.000 0.000 6.753) 6.753 17.610 ( 0.000 0.000 12.612) 12.612 17.700 ( 0.000 0.000 -4.427) 4.427 17.717 ( 0.000 0.000 -5.069) 5.069 18.589 ( 0.000 0.000 -1.997) 1.997 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 6.033 0.000 15.802) 16.915 1.194 ( 7.790 0.000 16.348) 18.109 1.476 ( -7.532 0.000 -5.763) 9.484 1.927 ( -0.882 0.000 -3.124) 3.246 2.065 ( -0.821 0.000 10.779) 10.810 2.160 ( 1.891 0.000 -4.708) 5.074 2.357 ( 10.970 0.000 16.001) 19.400 2.380 ( -6.560 0.000 7.577) 10.023 2.394 ( 0.317 0.000 2.290) 2.312 2.414 ( 0.271 0.000 0.321) 0.420 2.710 ( -3.342 0.000 -15.269) 15.631 2.851 ( 10.900 0.000 -2.927) 11.286 3.134 ( -0.935 0.000 -2.434) 2.608 4.056 ( 2.223 0.000 1.616) 2.749 4.380 ( 6.359 0.000 20.355) 21.325 5.399 ( -6.431 0.000 -7.041) 9.535 5.503 ( -3.105 0.000 -33.898) 34.040 5.638 ( 13.518 0.000 2.417) 13.732 5.758 ( 8.533 0.000 3.629) 9.273 6.219 ( -9.292 0.000 -13.615) 16.483 6.319 ( -3.279 0.000 7.969) 8.617 6.562 ( -5.541 0.000 8.748) 10.356 6.883 ( -7.198 0.000 -12.783) 14.671 7.172 ( -1.327 0.000 8.294) 8.399 7.286 ( 5.514 0.000 0.496) 5.537 7.535 ( 4.515 0.000 -14.371) 15.064 7.617 ( 5.529 0.000 2.208) 5.954 7.757 ( 12.728 0.000 12.293) 17.696 8.283 ( -19.209 0.000 3.032) 19.447 8.666 ( -26.109 0.000 -20.090) 32.944 8.878 ( -24.026 0.000 -8.587) 25.514 9.166 ( 3.289 0.000 -14.389) 14.760 9.502 ( 11.875 0.000 5.273) 12.993 9.551 ( 2.002 0.000 -0.866) 2.181 9.657 ( 6.524 0.000 -5.073) 8.264 9.660 ( 2.800 0.000 7.698) 8.192 10.078 ( 7.441 0.000 -3.575) 8.255 10.156 ( 6.144 0.000 3.245) 6.948 10.429 ( 2.601 0.000 -4.521) 5.216 10.565 ( -0.020 0.000 -3.682) 3.682 10.607 ( 2.167 0.000 -13.595) 13.767 10.920 ( -3.604 0.000 -2.058) 4.150 11.495 ( -7.201 0.000 -9.851) 12.202 11.780 ( -3.732 0.000 -3.427) 5.067 12.499 ( 1.020 0.000 2.158) 2.387 12.618 ( -10.159 0.000 5.704) 11.651 12.759 ( 3.938 0.000 5.864) 7.063 13.013 ( 3.429 0.000 1.685) 3.820 13.176 ( -2.756 0.000 -5.450) 6.107 13.504 ( 1.798 0.000 -2.522) 3.097 13.573 ( 3.331 0.000 -0.269) 3.342 13.617 ( 1.901 0.000 -0.682) 2.020 13.957 ( 1.806 0.000 19.688) 19.771 14.193 ( 1.966 0.000 2.527) 3.202 14.464 ( 3.825 0.000 4.436) 5.857 14.890 ( -8.703 0.000 10.396) 13.558 17.641 ( 3.159 0.000 11.906) 12.318 17.695 ( -1.144 0.000 -5.579) 5.695 17.800 ( 6.898 0.000 -9.007) 11.345 18.564 ( -2.605 0.000 -2.286) 3.466 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 10.357 0.000 6.160) 12.050 1.267 ( -12.077 0.000 -6.684) 13.803 1.374 ( 8.565 0.000 11.036) 13.970 1.876 ( -5.483 0.000 -6.931) 8.838 1.968 ( -6.084 0.000 0.599) 6.113 2.194 ( -0.052 0.000 -5.321) 5.321 2.205 ( -10.589 0.000 -3.359) 11.109 2.372 ( -2.882 0.000 -0.584) 2.940 2.420 ( 1.318 0.000 -0.774) 1.528 2.643 ( 0.516 0.000 -6.480) 6.500 2.737 ( 19.283 0.000 14.796) 24.305 3.109 ( -0.751 0.000 1.986) 2.124 3.169 ( 22.223 0.000 12.257) 25.379 4.140 ( 6.669 0.000 -2.308) 7.057 4.553 ( 11.119 0.000 16.376) 19.794 5.286 ( -5.209 0.000 -5.732) 7.745 5.449 ( -2.374 0.000 -22.357) 22.482 5.659 ( -10.854 0.000 1.896) 11.019 5.933 ( 9.843 0.000 -6.537) 11.816 6.209 ( -8.872 0.000 7.356) 11.525 6.228 ( 11.155 0.000 -26.735) 28.969 6.483 ( -3.600 0.000 22.312) 22.600 6.741 ( -6.961 0.000 -7.420) 10.174 7.104 ( -5.418 0.000 -1.933) 5.752 7.414 ( 5.687 0.000 6.673) 8.768 7.514 ( -16.385 0.000 -12.643) 20.696 7.573 ( -1.405 0.000 -15.908) 15.969 7.965 ( -7.774 0.000 -0.711) 7.806 8.124 ( 1.163 0.000 0.244) 1.188 8.257 ( -0.165 0.000 -4.849) 4.852 8.416 ( -19.560 0.000 -8.879) 21.481 9.103 ( -7.687 0.000 -11.809) 14.091 9.526 ( -3.766 0.000 -11.296) 11.908 9.675 ( 7.975 0.000 14.233) 16.315 9.723 ( 2.051 0.000 2.682) 3.377 9.873 ( 13.912 0.000 5.067) 14.806 10.214 ( 6.133 0.000 1.971) 6.442 10.291 ( 7.483 0.000 2.763) 7.977 10.411 ( -2.894 0.000 -1.712) 3.363 10.561 ( -0.598 0.000 -2.948) 3.008 10.638 ( -0.273 0.000 -6.112) 6.119 10.936 ( 5.705 0.000 -6.140) 8.382 11.314 ( -11.327 0.000 -8.284) 14.033 11.710 ( -4.717 0.000 -3.754) 6.029 12.494 ( -2.041 0.000 5.732) 6.085 12.525 ( 1.865 0.000 -2.041) 2.765 12.879 ( 8.545 0.000 5.611) 10.222 12.997 ( -4.059 0.000 2.166) 4.601 13.099 ( -5.277 0.000 -7.013) 8.776 13.536 ( 0.949 0.000 -2.004) 2.218 13.642 ( 3.692 0.000 0.048) 3.692 13.674 ( 3.849 0.000 0.314) 3.862 13.967 ( -0.588 0.000 11.572) 11.587 14.242 ( 1.348 0.000 -1.930) 2.354 14.517 ( 1.830 0.000 7.039) 7.273 14.756 ( -4.176 0.000 15.069) 15.637 17.672 ( -1.042 0.000 -7.772) 7.842 17.729 ( 6.099 0.000 9.772) 11.519 17.890 ( 1.714 0.000 -11.631) 11.756 18.490 ( -5.106 0.000 -2.754) 5.801 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -9.473 0.000 -7.514) 12.091 1.459 ( -5.510 0.000 -0.114) 5.511 1.498 ( 13.597 0.000 -0.270) 13.600 1.742 ( -2.725 0.000 -5.570) 6.201 1.905 ( 0.047 0.000 -1.015) 1.016 2.044 ( -6.080 0.000 0.178) 6.083 2.134 ( -5.936 0.000 -3.647) 6.967 2.270 ( -7.586 0.000 -4.502) 8.822 2.448 ( 1.932 0.000 -1.162) 2.254 2.611 ( -2.503 0.000 -4.981) 5.575 3.087 ( 13.622 0.000 15.004) 20.265 3.129 ( 2.748 0.000 6.564) 7.116 3.663 ( 28.555 0.000 11.668) 30.847 4.320 ( 12.661 0.000 -9.168) 15.632 4.739 ( 5.156 0.000 11.997) 13.058 5.222 ( 0.118 0.000 -5.201) 5.203 5.268 ( -15.898 0.000 -8.667) 18.107 5.624 ( 8.913 0.000 -5.123) 10.280 5.959 ( -15.456 0.000 9.314) 18.045 6.151 ( 11.801 0.000 -13.776) 18.139 6.362 ( 0.839 0.000 -5.741) 5.802 6.481 ( 2.247 0.000 2.402) 3.289 6.645 ( -2.889 0.000 -4.745) 5.555 6.983 ( -6.749 0.000 -7.308) 9.948 7.059 ( -26.161 0.000 -12.289) 28.903 7.431 ( -3.326 0.000 0.027) 3.326 7.510 ( -26.978 0.000 -29.766) 40.172 7.582 ( -0.389 0.000 -19.641) 19.645 8.073 ( -0.748 0.000 -6.519) 6.562 8.293 ( -0.978 0.000 2.380) 2.573 8.605 ( 23.665 0.000 23.149) 33.105 8.984 ( -2.150 0.000 -5.186) 5.614 9.424 ( -7.211 0.000 -10.951) 13.112 9.644 ( -8.113 0.000 10.365) 13.163 9.894 ( 12.528 0.000 9.409) 15.667 10.132 ( 12.355 0.000 3.244) 12.773 10.287 ( 1.314 0.000 1.501) 1.994 10.381 ( 0.136 0.000 -3.799) 3.801 10.406 ( 2.632 0.000 2.476) 3.614 10.550 ( 1.076 0.000 -2.442) 2.669 10.595 ( -3.349 0.000 3.518) 4.857 11.083 ( -12.579 0.000 -6.403) 14.115 11.090 ( 9.197 0.000 -3.672) 9.903 11.584 ( -8.007 0.000 -0.467) 8.020 12.533 ( 5.120 0.000 0.684) 5.165 12.581 ( 4.216 0.000 -6.322) 7.599 12.895 ( -6.035 0.000 -0.720) 6.078 12.977 ( -7.153 0.000 -10.026) 12.316 13.071 ( 10.821 0.000 5.632) 12.199 13.523 ( -2.581 0.000 -1.167) 2.833 13.713 ( 3.540 0.000 0.724) 3.614 13.743 ( 2.942 0.000 0.911) 3.080 13.951 ( -0.441 0.000 1.323) 1.394 14.206 ( -4.847 0.000 -4.206) 6.418 14.564 ( 3.376 0.000 12.959) 13.391 14.716 ( -1.143 0.000 16.915) 16.954 17.668 ( 0.899 0.000 -10.133) 10.172 17.868 ( 8.354 0.000 6.396) 10.522 17.871 ( -3.176 0.000 -11.775) 12.196 18.371 ( -7.332 0.000 -2.489) 7.743 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 4.360 0.000 -9.558) 10.505 1.193 ( -16.068 0.000 -9.555) 18.694 1.757 ( 13.035 0.000 -2.991) 13.373 1.820 ( 6.636 0.000 1.141) 6.734 1.939 ( -5.687 0.000 1.057) 5.784 1.965 ( 4.141 0.000 -2.829) 5.015 1.981 ( -8.378 0.000 -3.274) 8.995 2.109 ( -8.597 0.000 -4.002) 9.483 2.495 ( 2.923 0.000 -0.671) 2.999 2.555 ( -3.235 0.000 -1.752) 3.679 3.194 ( 3.467 0.000 9.427) 10.044 3.225 ( 1.545 0.000 12.110) 12.209 4.206 ( 27.164 0.000 7.092) 28.074 4.613 ( 17.263 0.000 -8.347) 19.175 4.634 ( -15.870 0.000 5.040) 16.651 4.947 ( -17.397 0.000 -5.599) 18.276 5.353 ( 12.505 0.000 4.565) 13.312 5.638 ( -16.773 0.000 10.300) 19.683 5.909 ( 19.988 0.000 -7.722) 21.428 6.297 ( -14.721 0.000 0.258) 14.723 6.403 ( 13.739 0.000 -17.209) 22.021 6.456 ( 1.798 0.000 -8.794) 8.976 6.596 ( -4.738 0.000 -8.379) 9.626 6.619 ( -15.942 0.000 -14.567) 21.595 6.893 ( -0.243 0.000 -13.921) 13.923 7.063 ( -18.057 0.000 -26.291) 31.895 7.440 ( 4.630 0.000 -6.579) 8.045 7.538 ( -4.236 0.000 -13.278) 13.937 8.131 ( 4.764 0.000 0.611) 4.803 8.227 ( -5.060 0.000 0.370) 5.074 9.047 ( 21.839 0.000 22.176) 31.124 9.053 ( 8.372 0.000 -3.945) 9.254 9.248 ( -10.773 0.000 -6.926) 12.807 9.411 ( -16.026 0.000 16.943) 23.321 10.138 ( 12.393 0.000 6.221) 13.867 10.287 ( 2.534 0.000 -3.700) 4.485 10.294 ( 0.205 0.000 -5.297) 5.301 10.339 ( -8.098 0.000 3.517) 8.829 10.425 ( 5.354 0.000 4.404) 6.933 10.527 ( -4.212 0.000 7.384) 8.501 10.655 ( 8.582 0.000 -2.950) 9.075 10.849 ( -11.582 0.000 -4.590) 12.459 11.262 ( 8.790 0.000 1.454) 8.909 11.426 ( -8.473 0.000 2.450) 8.820 12.651 ( 6.690 0.000 -3.308) 7.463 12.687 ( 6.791 0.000 -9.132) 11.380 12.777 ( -6.415 0.000 -3.478) 7.297 12.830 ( -7.955 0.000 -10.102) 12.858 13.274 ( 9.980 0.000 2.685) 10.335 13.435 ( -6.636 0.000 0.398) 6.648 13.766 ( 1.831 0.000 1.124) 2.149 13.778 ( 0.629 0.000 1.183) 1.340 13.979 ( 3.817 0.000 -4.117) 5.615 14.087 ( -6.801 0.000 -5.221) 8.574 14.633 ( 3.455 0.000 16.174) 16.539 14.687 ( -2.141 0.000 17.313) 17.445 17.710 ( 3.461 0.000 -11.550) 12.058 17.791 ( -4.685 0.000 -11.852) 12.745 18.039 ( 9.366 0.000 2.517) 9.698 18.215 ( -8.923 0.000 -0.729) 8.952 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 2.590 14.884) 15.108 1.166 ( 0.000 10.595 16.535) 19.638 1.624 ( 0.000 5.643 -6.612) 8.692 1.907 ( 0.000 -2.238 -2.165) 3.113 2.137 ( 0.000 6.733 4.126) 7.897 2.172 ( 0.000 -5.061 -11.517) 12.580 2.223 ( 0.000 5.377 17.184) 18.005 2.354 ( 0.000 -4.630 2.682) 5.351 2.384 ( 0.000 -2.260 4.353) 4.904 2.560 ( 0.000 -2.496 -10.366) 10.662 2.770 ( 0.000 1.370 -22.208) 22.250 3.062 ( 0.000 -6.152 -5.266) 8.098 3.152 ( 0.000 41.227 7.302) 41.869 4.092 ( 0.000 4.921 1.705) 5.208 4.444 ( 0.000 9.919 21.561) 23.734 5.251 ( 0.000 -13.377 14.777) 19.933 5.517 ( 0.000 -1.220 -30.051) 30.076 5.593 ( 0.000 7.985 -17.657) 19.379 5.714 ( 0.000 4.132 13.815) 14.420 6.264 ( 0.000 -4.158 -5.638) 7.005 6.536 ( 0.000 17.810 6.811) 19.068 6.641 ( 0.000 -0.937 -3.776) 3.891 7.062 ( 0.000 -5.944 11.298) 12.767 7.126 ( 0.000 9.407 -13.965) 16.838 7.294 ( 0.000 3.673 2.519) 4.454 7.408 ( 0.000 2.104 -9.542) 9.771 7.685 ( 0.000 7.370 10.017) 12.436 7.826 ( 0.000 14.851 -1.208) 14.900 8.438 ( 0.000 -10.771 2.933) 11.163 8.714 ( 0.000 -16.395 1.413) 16.456 9.041 ( 0.000 -8.922 1.269) 9.011 9.256 ( 0.000 3.540 -15.761) 16.154 9.263 ( 0.000 -0.928 -9.811) 9.855 9.452 ( 0.000 -4.613 0.744) 4.673 9.512 ( 0.000 -4.225 -16.745) 17.269 9.807 ( 0.000 8.347 14.581) 16.801 9.851 ( 0.000 -10.187 -7.146) 12.444 9.984 ( 0.000 -7.205 -1.613) 7.384 10.407 ( 0.000 0.361 -10.310) 10.316 10.528 ( 0.000 -2.723 -7.321) 7.811 10.631 ( 0.000 6.114 -13.283) 14.622 11.094 ( 0.000 9.571 1.385) 9.670 11.580 ( 0.000 0.181 -8.633) 8.635 11.829 ( 0.000 -1.158 -1.280) 1.726 12.511 ( 0.000 2.160 3.278) 3.926 12.741 ( 0.000 -0.328 2.070) 2.096 12.861 ( 0.000 -1.972 0.572) 2.053 12.864 ( 0.000 6.449 5.120) 8.234 13.215 ( 0.000 1.071 -4.252) 4.385 13.382 ( 0.000 -6.513 4.064) 7.677 13.505 ( 0.000 -3.056 0.542) 3.104 13.598 ( 0.000 -0.056 0.794) 0.796 13.959 ( 0.000 2.747 18.969) 19.167 14.291 ( 0.000 7.089 4.023) 8.151 14.353 ( 0.000 -5.409 3.128) 6.248 14.938 ( 0.000 -5.281 9.621) 10.975 17.591 ( 0.000 -1.687 10.345) 10.482 17.620 ( 0.000 -5.808 -3.243) 6.652 17.751 ( 0.000 3.374 -5.198) 6.197 18.511 ( 0.000 -7.246 -2.410) 7.636 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.283 4.710 10.634) 12.774 1.263 ( 8.235 7.691 13.408) 17.514 1.556 ( -6.712 6.389 -5.826) 10.946 1.895 ( -1.341 -3.059 -1.728) 3.761 2.061 ( -4.994 -1.781 1.163) 5.428 2.162 ( -0.254 1.980 -7.164) 7.437 2.339 ( -0.118 -6.204 -1.661) 6.423 2.375 ( 3.617 -0.972 4.278) 5.686 2.423 ( 7.855 3.377 12.232) 14.924 2.511 ( -2.578 1.573 -8.420) 8.945 2.729 ( -4.672 3.410 -17.599) 18.525 3.030 ( -1.110 -3.524 -1.205) 3.886 3.220 ( 7.246 31.921 8.413) 33.797 4.107 ( 2.176 4.759 4.173) 6.693 4.471 ( 4.415 6.623 20.782) 22.254 5.373 ( 3.966 -11.616 -2.917) 12.616 5.473 ( -3.663 4.505 -10.532) 12.027 5.622 ( 7.483 4.871 -15.002) 17.458 5.794 ( 6.541 1.253 3.050) 7.325 6.193 ( -7.079 -2.416 -12.193) 14.305 6.481 ( -4.694 7.202 4.738) 9.816 6.577 ( -6.864 11.803 6.992) 15.340 6.904 ( -3.904 2.105 -10.012) 10.950 7.208 ( 1.487 -0.512 13.572) 13.663 7.389 ( 3.001 6.245 -3.643) 7.827 7.517 ( 9.316 -0.781 -10.675) 14.190 7.644 ( -1.062 5.981 -2.478) 6.561 7.944 ( 9.467 13.668 9.134) 18.970 8.209 ( -15.302 -6.111 4.887) 17.187 8.555 ( -18.325 -8.620 -10.358) 22.747 8.907 ( -22.921 1.788 -12.591) 26.213 9.031 ( -2.251 -9.466 -13.253) 16.441 9.427 ( 11.107 -11.126 4.198) 16.272 9.525 ( 2.479 -3.603 -4.091) 5.988 9.619 ( 8.999 0.532 -7.285) 11.590 9.732 ( -2.285 2.344 4.724) 5.747 9.996 ( 9.401 -5.723 0.752) 11.031 10.089 ( 8.289 -4.691 1.560) 9.651 10.411 ( -0.145 -1.191 -6.551) 6.660 10.520 ( -0.782 -3.075 -7.485) 8.129 10.678 ( 4.445 6.313 -12.669) 14.836 11.016 ( -6.267 8.344 0.437) 10.444 11.500 ( -7.810 -0.460 -7.906) 11.123 11.786 ( -3.950 -0.790 -1.989) 4.493 12.531 ( 1.807 2.690 2.188) 3.910 12.645 ( -6.606 2.801 4.508) 8.474 12.818 ( 2.749 5.207 4.558) 7.446 13.015 ( 4.528 0.378 -0.463) 4.568 13.191 ( -2.455 1.329 -4.771) 5.528 13.413 ( 3.328 -6.829 2.463) 7.986 13.544 ( 3.816 -2.864 0.372) 4.785 13.608 ( 0.965 -0.312 1.000) 1.425 13.989 ( 2.414 2.245 17.689) 17.993 14.247 ( -1.970 2.991 0.837) 3.678 14.412 ( 3.462 -3.809 4.821) 7.052 14.848 ( -7.749 -3.951 11.920) 14.756 17.608 ( 2.642 -3.047 9.147) 9.997 17.689 ( 3.333 -3.530 -4.781) 6.814 17.757 ( 1.838 0.743 -6.581) 6.873 18.487 ( -2.446 -7.110 -2.704) 7.991 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.488 3.711 1.281) 4.199 1.431 ( 8.473 4.935 9.025) 13.326 1.442 ( 0.266 10.680 -3.233) 11.161 1.833 ( -6.155 -3.765 -1.753) 7.425 1.970 ( -3.609 -1.572 -1.549) 4.230 2.098 ( -6.628 -1.126 -7.618) 10.161 2.321 ( -0.427 -2.044 -1.731) 2.712 2.354 ( -2.971 -1.253 -3.396) 4.683 2.485 ( -1.567 5.899 -4.379) 7.512 2.621 ( -3.677 -0.129 -9.148) 9.860 2.703 ( 14.965 -0.308 12.734) 19.652 3.007 ( -1.192 -7.720 0.867) 7.859 3.472 ( 18.866 25.541 12.898) 34.273 4.195 ( 7.469 5.320 -0.117) 9.171 4.628 ( 11.476 4.122 15.648) 19.838 5.350 ( -3.831 -7.817 -12.880) 15.546 5.395 ( -4.489 9.521 -5.830) 12.033 5.679 ( -5.886 3.572 0.283) 6.891 5.934 ( 8.306 -1.464 -6.581) 10.698 6.195 ( 10.124 -2.031 -22.776) 25.007 6.365 ( -6.631 -4.550 12.116) 14.542 6.425 ( -9.775 18.415 3.872) 21.205 6.865 ( -1.500 9.033 -4.513) 10.208 7.193 ( -3.454 2.978 7.863) 9.090 7.417 ( -5.202 -3.301 -6.544) 8.988 7.548 ( -6.009 5.309 -2.918) 8.533 7.598 ( -2.272 5.173 -16.083) 17.046 8.002 ( -4.995 0.610 -0.551) 5.062 8.115 ( -12.310 0.635 -13.000) 17.915 8.262 ( 7.723 1.551 8.465) 11.563 8.491 ( -14.853 6.455 -9.591) 18.822 8.961 ( -4.556 -10.512 -9.455) 14.854 9.505 ( -3.404 -2.989 -9.663) 10.672 9.695 ( 14.286 -9.760 8.236) 19.162 9.728 ( 1.087 0.369 2.376) 2.639 9.758 ( 5.866 -0.658 6.158) 8.530 10.174 ( 8.830 -2.965 2.811) 9.729 10.230 ( 5.450 -6.809 0.535) 8.738 10.402 ( 0.419 0.940 0.246) 1.058 10.503 ( -1.004 -3.965 -6.144) 7.381 10.749 ( 0.517 7.716 -7.118) 10.511 10.934 ( -0.460 1.161 -3.908) 4.102 11.322 ( -10.064 0.181 -7.038) 12.282 11.679 ( -7.379 -3.886 -1.995) 8.575 12.547 ( 0.230 5.128 2.310) 5.629 12.603 ( 2.196 6.865 0.145) 7.209 12.915 ( 7.223 3.371 4.450) 9.129 13.017 ( -3.283 1.899 -1.418) 4.049 13.122 ( -4.804 1.973 -5.548) 7.599 13.490 ( 3.748 -4.701 -0.165) 6.014 13.624 ( 2.348 -1.256 0.684) 2.749 13.637 ( 3.830 -2.716 1.346) 4.884 14.015 ( -0.144 2.847 10.559) 10.937 14.232 ( -0.535 -0.694 -1.988) 2.172 14.461 ( 2.007 -4.759 8.341) 9.810 14.714 ( -5.311 -3.769 14.909) 16.270 17.685 ( 3.384 -2.422 1.910) 4.578 17.698 ( 1.410 0.616 -1.460) 2.121 17.818 ( 2.283 -5.112 -8.925) 10.536 18.418 ( -4.785 -6.691 -3.196) 8.826 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -6.470 8.401 -3.735) 11.242 1.510 ( -5.868 3.703 -1.001) 7.010 1.581 ( 10.187 6.340 -3.339) 12.455 1.721 ( 0.875 0.143 0.370) 0.960 1.929 ( -1.713 -2.751 -2.802) 4.284 1.993 ( -2.620 1.360 -1.952) 3.540 2.239 ( -6.559 3.851 -0.011) 7.606 2.320 ( -5.780 3.383 -6.078) 9.044 2.411 ( -1.044 -0.791 -2.114) 2.487 2.574 ( -2.472 -2.912 -4.357) 5.795 2.959 ( 9.903 -8.754 11.934) 17.808 3.006 ( 1.235 -9.708 5.487) 11.220 3.891 ( 24.039 17.269 9.491) 31.083 4.400 ( 14.056 7.899 -5.528) 17.045 4.864 ( 10.932 5.997 12.240) 17.473 5.188 ( -13.404 -4.239 -8.526) 16.442 5.304 ( -3.811 8.773 -5.015) 10.799 5.651 ( 6.085 2.686 -4.107) 7.817 6.083 ( -2.499 -0.915 -5.140) 5.788 6.153 ( -5.531 8.198 -1.374) 9.984 6.303 ( -1.183 -1.424 9.230) 9.413 6.407 ( 7.691 -2.972 -17.934) 19.738 6.820 ( -6.004 9.908 -3.849) 12.207 7.060 ( -11.201 4.154 -7.317) 14.009 7.147 ( -13.511 10.907 -8.552) 19.355 7.392 ( -17.024 -2.686 -18.826) 25.524 7.524 ( -3.730 6.655 -8.695) 11.567 7.743 ( -6.814 9.436 -20.686) 23.736 8.091 ( 1.096 1.420 -3.466) 3.902 8.258 ( -2.503 -3.310 2.207) 4.700 8.655 ( 19.415 4.202 19.361) 27.739 8.910 ( 1.255 -5.277 -2.771) 6.091 9.398 ( -7.626 -2.447 -8.663) 11.798 9.664 ( -7.514 1.438 9.018) 11.826 9.911 ( 10.684 0.222 6.298) 12.404 9.976 ( 13.702 -13.049 7.101) 20.210 10.281 ( 1.378 -9.121 -2.779) 9.634 10.303 ( 3.314 1.659 2.355) 4.391 10.431 ( -0.901 -0.314 0.710) 1.190 10.508 ( 3.403 -1.780 -1.710) 4.204 10.665 ( -6.604 6.536 -0.208) 9.294 10.989 ( 2.139 -6.209 -4.927) 8.210 11.150 ( -5.677 2.691 -5.207) 8.159 11.520 ( -8.790 -6.092 0.369) 10.701 12.594 ( 4.455 5.850 -1.475) 7.500 12.666 ( 4.138 7.362 -4.159) 9.414 12.921 ( -5.357 2.505 -2.724) 6.511 13.002 ( -6.265 2.003 -10.053) 12.014 13.100 ( 9.619 2.880 5.846) 11.619 13.518 ( -1.334 -0.636 -0.742) 1.654 13.668 ( 3.218 -3.674 1.981) 5.271 13.716 ( 3.360 -2.182 0.855) 4.097 13.995 ( -1.152 3.007 1.349) 3.492 14.187 ( -4.411 -1.321 -3.335) 5.685 14.508 ( 3.075 -5.321 12.854) 14.248 14.647 ( -2.238 -5.920 16.140) 17.337 17.684 ( 0.296 1.502 -9.481) 9.604 17.800 ( 1.836 -4.684 -4.560) 6.790 17.842 ( 4.432 -3.276 -0.284) 5.519 18.306 ( -6.901 -6.018 -2.987) 9.631 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 4.013 10.374 -6.093) 12.683 1.278 ( -13.141 7.118 -7.247) 16.610 1.758 ( 7.299 -0.640 -3.058) 7.940 1.844 ( 3.756 0.825 1.038) 3.983 1.887 ( 2.288 0.459 -2.159) 3.179 2.007 ( 1.227 2.831 -1.043) 3.257 2.098 ( -6.192 7.479 -0.256) 9.713 2.165 ( -8.044 4.651 -3.746) 10.018 2.447 ( 3.209 -4.045 -0.907) 5.243 2.514 ( -3.594 -3.386 -1.809) 5.259 3.041 ( 2.089 -12.167 8.693) 15.098 3.059 ( 1.146 -12.711 10.878) 16.770 4.354 ( 23.904 9.661 2.824) 25.937 4.682 ( 8.193 5.657 -1.766) 10.112 4.812 ( -10.146 12.327 0.426) 15.971 4.987 ( -9.785 7.198 0.586) 12.161 5.375 ( 13.162 1.853 0.104) 13.292 5.688 ( -15.650 2.446 3.543) 16.232 5.948 ( 13.229 2.813 -4.541) 14.267 6.221 ( -6.280 -5.106 -0.461) 8.107 6.317 ( 5.268 -2.883 -9.259) 11.036 6.526 ( -8.283 4.228 -12.121) 15.278 6.571 ( 2.710 1.106 -19.818) 20.033 6.841 ( -13.132 11.153 -16.481) 23.842 7.022 ( -2.960 12.433 -10.456) 16.512 7.066 ( -9.532 2.878 -18.719) 21.203 7.557 ( 5.870 11.492 -6.006) 14.233 7.667 ( -4.402 11.776 -12.173) 17.499 8.127 ( 2.647 -0.553 0.667) 2.785 8.193 ( -4.104 -3.681 -0.005) 5.513 8.967 ( 11.274 -5.717 3.690) 13.169 9.065 ( 10.931 -0.251 12.937) 16.939 9.242 ( -4.437 -0.050 -0.959) 4.539 9.450 ( -14.493 2.793 15.180) 21.172 10.132 ( 11.605 -2.331 2.513) 12.100 10.210 ( 9.846 -10.020 4.282) 14.686 10.301 ( 0.828 -8.766 -1.333) 8.905 10.315 ( -0.858 1.713 -1.603) 2.498 10.357 ( -5.478 -0.975 0.872) 5.632 10.432 ( -9.829 -2.187 6.222) 11.837 10.711 ( 8.933 3.736 -3.511) 10.300 10.888 ( -9.114 2.197 -3.912) 10.159 11.202 ( 7.326 -5.098 0.601) 8.946 11.356 ( -8.442 -6.344 2.286) 10.805 12.699 ( 6.203 4.628 -4.762) 9.087 12.756 ( 5.259 5.879 -7.192) 10.674 12.816 ( -5.792 3.639 -4.191) 8.022 12.870 ( -6.810 3.424 -9.803) 12.418 13.291 ( 9.542 1.717 2.889) 10.117 13.444 ( -6.177 0.942 0.700) 6.287 13.731 ( 2.746 -3.115 1.809) 4.529 13.754 ( 0.480 -2.212 1.429) 2.677 14.000 ( 2.228 1.702 -3.336) 4.358 14.082 ( -5.785 -0.141 -4.176) 7.136 14.566 ( 2.766 -6.300 14.962) 16.468 14.610 ( -1.951 -6.883 16.032) 17.556 17.709 ( 2.263 0.135 -10.604) 10.844 17.763 ( -3.082 -2.096 -10.595) 11.231 17.992 ( 8.855 -4.295 1.670) 9.982 18.159 ( -8.445 -5.187 -1.338) 10.001 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 0.000 9.034 2.296) 9.321 1.408 ( 0.000 10.098 5.109) 11.317 1.753 ( 0.000 6.422 -6.273) 8.978 1.853 ( 0.000 -2.305 -0.701) 2.409 2.039 ( 0.000 -6.464 -8.807) 10.924 2.136 ( 0.000 -7.191 5.171) 8.857 2.244 ( 0.000 -5.161 -0.381) 5.175 2.267 ( 0.000 -5.001 -3.771) 6.263 2.380 ( 0.000 7.452 -4.098) 8.505 2.654 ( 0.000 10.505 -3.805) 11.173 2.752 ( 0.000 -4.552 -12.928) 13.706 2.935 ( 0.000 -4.784 -12.807) 13.672 3.961 ( 0.000 28.515 7.916) 29.594 4.213 ( 0.000 5.284 8.994) 10.431 4.678 ( 0.000 11.961 19.492) 22.869 5.048 ( 0.000 -5.382 12.087) 13.231 5.510 ( 0.000 2.819 -4.995) 5.736 5.743 ( 0.000 4.883 -14.324) 15.134 5.814 ( 0.000 4.883 -5.961) 7.706 6.114 ( 0.000 -10.389 -6.473) 12.240 6.683 ( 0.000 4.725 0.288) 4.734 6.936 ( 0.000 -3.743 12.037) 12.605 7.002 ( 0.000 18.185 -2.294) 18.329 7.217 ( 0.000 0.080 -6.082) 6.083 7.394 ( 0.000 8.636 1.073) 8.702 7.559 ( 0.000 10.542 -10.640) 14.978 7.870 ( 0.000 9.198 10.399) 13.883 8.091 ( 0.000 3.192 -1.420) 3.494 8.205 ( 0.000 -3.546 10.233) 10.830 8.447 ( 0.000 -6.786 3.972) 7.863 8.747 ( 0.000 -17.050 5.748) 17.993 9.092 ( 0.000 -18.767 4.842) 19.382 9.307 ( 0.000 1.792 -21.508) 21.582 9.355 ( 0.000 -2.144 -13.968) 14.131 9.477 ( 0.000 0.704 -16.545) 16.560 9.659 ( 0.000 -7.550 -12.650) 14.732 9.861 ( 0.000 -3.440 -1.052) 3.597 9.882 ( 0.000 -0.771 8.738) 8.772 10.397 ( 0.000 -0.194 -14.239) 14.240 10.469 ( 0.000 -2.764 -11.991) 12.306 10.887 ( 0.000 17.210 -5.973) 18.217 11.318 ( 0.000 11.294 2.762) 11.627 11.508 ( 0.000 -7.902 -3.540) 8.659 11.757 ( 0.000 -6.719 1.615) 6.911 12.575 ( 0.000 3.789 2.611) 4.601 12.707 ( 0.000 -2.399 1.250) 2.705 12.858 ( 0.000 3.307 1.205) 3.519 13.027 ( 0.000 6.247 2.112) 6.595 13.240 ( 0.000 1.000 -2.748) 2.924 13.290 ( 0.000 -2.474 2.305) 3.381 13.426 ( 0.000 -2.796 3.740) 4.669 13.578 ( 0.000 -2.548 3.292) 4.162 14.022 ( 0.000 3.009 11.015) 11.418 14.216 ( 0.000 -6.880 1.562) 7.055 14.431 ( 0.000 6.913 11.448) 13.374 14.789 ( 0.000 -8.607 15.590) 17.808 17.526 ( 0.000 -2.572 -2.911) 3.885 17.548 ( 0.000 -2.205 5.024) 5.487 17.864 ( 0.000 7.540 -5.344) 9.242 18.308 ( 0.000 -11.507 -3.497) 12.027 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 4.586 7.523 2.391) 9.129 1.466 ( 4.855 8.585 3.832) 10.581 1.708 ( -4.063 7.466 -5.751) 10.263 1.821 ( -2.997 -2.889 0.842) 4.247 1.984 ( -4.116 -4.096 -3.657) 6.862 2.167 ( 0.646 -9.539 -0.084) 9.561 2.186 ( -3.064 -1.067 -3.976) 5.132 2.287 ( 0.957 -7.404 -4.130) 8.531 2.454 ( 5.571 5.492 -2.999) 8.378 2.663 ( 1.692 9.219 -1.484) 9.490 2.756 ( -0.368 -2.354 -12.007) 12.241 2.907 ( -2.755 -4.673 -10.028) 11.401 3.973 ( 1.843 29.591 6.446) 30.341 4.224 ( 2.122 5.308 9.614) 11.185 4.608 ( -1.764 7.974 20.023) 21.625 5.147 ( 4.103 -9.882 3.174) 11.160 5.590 ( 6.413 6.931 2.044) 9.661 5.742 ( 1.265 4.705 -11.512) 12.501 5.829 ( 1.911 2.479 -8.306) 8.877 6.089 ( -1.952 -7.700 -11.125) 13.670 6.607 ( -8.579 9.125 3.553) 13.019 6.916 ( -3.307 3.238 1.310) 4.810 7.053 ( 4.892 14.518 0.825) 15.342 7.149 ( -1.250 -2.347 5.041) 5.700 7.401 ( -2.569 3.516 -6.546) 7.862 7.647 ( 6.907 8.953 -4.086) 12.023 7.808 ( -3.239 8.048 1.684) 8.837 8.023 ( -8.465 -7.457 5.528) 12.563 8.235 ( 4.490 6.851 2.701) 8.626 8.424 ( -4.574 0.692 0.720) 4.682 8.770 ( -3.370 -13.853 -3.378) 14.652 8.962 ( -14.328 0.386 -12.274) 18.870 9.143 ( 0.942 -13.008 -1.382) 13.115 9.336 ( 0.427 -13.619 -9.369) 16.535 9.644 ( 9.375 1.625 -8.029) 12.450 9.728 ( 2.525 -1.305 -9.834) 10.236 9.906 ( 7.868 -2.527 0.907) 8.314 9.980 ( 6.100 -5.218 6.036) 10.044 10.398 ( 0.487 -0.090 -11.554) 11.564 10.457 ( -1.143 -2.716 -11.375) 11.750 10.906 ( 1.428 15.088 -5.963) 16.286 11.227 ( -8.118 11.158 1.649) 13.897 11.436 ( -6.850 -6.287 -3.830) 10.055 11.695 ( -6.549 -8.332 0.943) 10.640 12.610 ( 3.627 4.735 2.031) 6.301 12.718 ( 1.143 2.890 0.892) 3.233 12.914 ( 4.659 3.427 1.224) 5.912 13.061 ( 2.745 3.926 -0.642) 4.833 13.225 ( -1.739 1.597 -2.968) 3.793 13.295 ( 1.120 -3.975 2.868) 5.028 13.466 ( 4.003 -3.339 3.113) 6.071 13.586 ( 0.672 -2.554 3.149) 4.109 14.032 ( 0.812 1.880 9.398) 9.619 14.204 ( -1.007 -6.086 1.412) 6.328 14.425 ( -0.739 5.246 11.761) 12.899 14.731 ( -5.445 -7.037 15.575) 17.937 17.540 ( 2.108 -2.340 1.893) 3.675 17.595 ( 3.701 -3.982 -0.372) 5.449 17.853 ( -1.094 7.301 -6.011) 9.520 18.288 ( -2.052 -11.301 -3.828) 12.107 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 1.721 6.802 1.702) 7.220 1.544 ( 3.091 4.774 4.329) 7.148 1.647 ( -1.292 5.826 -5.383) 8.036 1.769 ( -1.123 0.836 1.824) 2.299 1.906 ( -4.207 -3.442 -1.956) 5.777 2.078 ( -4.775 -2.806 -3.510) 6.557 2.216 ( 1.946 -4.877 -3.110) 6.103 2.290 ( -0.602 -5.430 -4.497) 7.076 2.536 ( 2.313 3.326 -2.335) 4.676 2.696 ( -5.161 4.467 -8.156) 10.635 2.732 ( 3.297 0.231 0.080) 3.306 2.847 ( -2.975 -6.150 -3.108) 7.506 4.058 ( 7.606 25.256 6.662) 27.205 4.341 ( 10.766 7.358 4.773) 13.886 4.669 ( 7.521 2.024 13.447) 15.539 5.165 ( -1.035 -10.196 -3.103) 10.708 5.628 ( -1.061 10.327 -0.338) 10.386 5.767 ( -2.789 3.755 2.176) 5.159 5.898 ( 5.390 -0.636 -12.075) 13.238 6.129 ( 7.547 -5.291 -20.073) 22.088 6.409 ( -10.054 8.768 6.837) 14.990 6.759 ( -14.805 6.857 -0.003) 16.316 7.083 ( -3.484 2.526 -3.949) 5.841 7.180 ( 5.046 4.281 6.088) 8.992 7.422 ( 3.476 10.522 -3.219) 11.540 7.694 ( -2.121 7.297 -3.338) 8.299 7.752 ( -4.784 7.934 -9.205) 13.060 7.945 ( 1.921 -4.316 3.606) 5.944 8.123 ( -16.728 -1.272 -17.555) 24.282 8.303 ( -6.198 -1.637 1.278) 6.536 8.672 ( -1.302 10.770 -2.487) 11.129 8.801 ( 0.030 -0.945 -5.413) 5.495 9.292 ( 6.850 -17.346 -2.853) 18.867 9.399 ( 7.196 -16.404 5.198) 18.652 9.746 ( 1.445 1.308 -1.479) 2.446 9.769 ( 2.519 0.194 -1.978) 3.208 10.054 ( 2.493 -5.727 6.894) 9.303 10.112 ( 11.388 -4.190 -0.490) 12.144 10.427 ( 0.556 -1.071 -9.698) 9.773 10.450 ( 3.334 0.164 -4.338) 5.474 10.908 ( -1.937 8.798 -5.769) 10.698 11.043 ( -11.267 8.276 -0.173) 13.981 11.295 ( -6.883 -3.053 -4.405) 8.723 11.526 ( -10.078 -10.410 0.395) 14.495 12.691 ( 4.008 7.740 -1.151) 8.792 12.761 ( 3.554 6.674 0.082) 7.562 13.003 ( 4.356 4.567 0.739) 6.354 13.076 ( -1.474 3.480 -5.648) 6.796 13.174 ( -3.254 2.928 -2.293) 4.942 13.365 ( 5.957 -6.504 3.156) 9.368 13.561 ( 5.347 -3.889 1.939) 6.890 13.596 ( 0.371 -2.112 2.873) 3.585 14.043 ( 0.092 0.392 5.202) 5.218 14.188 ( -0.567 -4.875 0.965) 5.002 14.402 ( -1.622 1.458 12.438) 12.628 14.613 ( -6.310 -5.602 15.076) 17.277 17.605 ( 4.449 -3.081 1.602) 5.644 17.663 ( 3.251 -4.505 -1.818) 5.845 17.826 ( -1.610 6.182 -7.457) 9.819 18.231 ( -3.968 -10.650 -4.424) 12.196 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.218 11.639 1.550) 11.949 1.565 ( -4.352 1.208 -0.815) 4.589 1.649 ( 3.572 0.550 -0.428) 3.640 1.825 ( -2.616 -6.194 -0.882) 6.781 1.831 ( 6.050 8.591 -1.341) 10.593 2.039 ( 0.793 1.251 -0.640) 1.613 2.247 ( 1.290 -4.785 -1.206) 5.101 2.266 ( -1.893 -1.472 -3.754) 4.455 2.523 ( -5.739 4.372 -2.460) 7.623 2.546 ( -6.698 3.425 -5.169) 9.127 2.781 ( 0.507 -8.820 2.950) 9.314 2.806 ( -1.219 -7.833 3.774) 8.780 4.265 ( 13.865 17.481 2.635) 22.467 4.609 ( 15.614 9.355 2.472) 18.369 4.861 ( 11.740 -3.659 6.756) 14.031 5.116 ( -4.536 -4.501 -1.864) 6.656 5.561 ( -5.913 13.163 -2.763) 14.692 5.734 ( 2.504 5.074 -4.127) 7.003 6.010 ( 4.050 -2.875 -12.938) 13.859 6.222 ( -5.247 -4.103 4.822) 8.223 6.308 ( 2.569 -0.372 -14.141) 14.377 6.436 ( -11.844 3.676 -2.275) 12.609 6.962 ( -11.065 6.569 -9.802) 16.176 7.209 ( -6.316 1.247 -10.917) 12.674 7.383 ( -7.070 16.300 -8.224) 19.578 7.510 ( -12.913 13.837 -9.053) 20.980 7.744 ( 6.914 13.980 -5.471) 16.528 7.883 ( -3.415 1.786 -15.503) 15.975 8.056 ( 3.730 -7.613 0.831) 8.518 8.232 ( -0.519 3.608 5.627) 6.705 8.685 ( 2.431 -0.932 -2.365) 3.517 8.926 ( 10.717 8.502 12.604) 18.601 9.282 ( -5.082 -10.718 -6.687) 13.616 9.616 ( 12.116 -19.085 7.842) 23.928 9.690 ( -6.602 0.746 8.093) 10.471 9.846 ( 4.616 -9.020 1.253) 10.210 10.097 ( 3.576 -2.372 4.165) 5.980 10.280 ( 3.922 -4.802 0.332) 6.209 10.465 ( 4.124 4.466 -6.365) 8.802 10.554 ( 5.319 4.943 1.745) 7.468 10.801 ( -12.827 4.405 0.112) 13.562 10.851 ( -1.840 -4.915 -6.839) 8.620 11.180 ( -5.604 0.098 -3.234) 6.471 11.347 ( -8.567 -9.478 0.505) 12.786 12.757 ( 3.294 8.602 -4.305) 10.168 12.832 ( 3.309 6.783 -2.844) 8.065 12.991 ( -4.053 3.834 -5.997) 8.191 13.043 ( -4.544 1.615 -9.316) 10.490 13.195 ( 7.323 6.294 5.276) 11.004 13.478 ( 4.691 -3.793 1.346) 6.181 13.598 ( 0.288 -2.350 3.439) 4.175 13.651 ( 3.526 -3.828 1.194) 5.339 14.036 ( -0.443 1.090 1.221) 1.695 14.171 ( -1.844 -1.122 0.265) 2.175 14.372 ( -0.962 -5.338 12.468) 13.597 14.507 ( -4.635 -6.817 13.875) 16.139 17.679 ( 2.506 -2.387 -5.152) 6.206 17.742 ( 5.661 -3.647 1.341) 6.866 17.794 ( -1.570 3.638 -8.254) 9.156 18.138 ( -5.706 -9.513 -4.397) 11.933 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.508 12.529 -0.441) 12.785 1.445 ( -6.576 8.220 -2.610) 10.846 1.722 ( 3.277 -3.275 -0.304) 4.643 1.772 ( -2.303 -5.782 0.469) 6.241 1.998 ( 9.310 6.535 -1.954) 11.541 2.082 ( 2.069 3.897 0.045) 4.413 2.212 ( -3.017 2.689 -0.474) 4.069 2.237 ( -4.481 -0.739 -2.739) 5.303 2.402 ( -0.765 3.001 -2.034) 3.705 2.461 ( -4.532 -0.079 -1.624) 4.814 2.773 ( -0.212 -12.552 5.954) 13.894 2.785 ( -1.260 -12.572 6.629) 14.269 4.560 ( 16.014 11.234 -0.642) 19.572 4.791 ( -3.092 6.285 1.920) 7.263 5.041 ( 1.761 5.004 4.305) 6.831 5.057 ( 5.221 -5.707 4.368) 8.883 5.514 ( 4.654 13.088 -5.652) 14.997 5.739 ( -11.524 4.488 -5.852) 13.682 5.953 ( 2.921 -2.688 -4.219) 5.792 6.104 ( -8.270 -7.409 0.071) 11.104 6.347 ( 10.728 5.034 -13.339) 17.843 6.556 ( 13.387 -2.823 -21.499) 25.483 6.651 ( -17.825 7.234 -15.751) 24.863 6.901 ( -20.198 -2.957 -25.738) 32.851 7.325 ( 1.207 19.262 -5.169) 19.980 7.379 ( -3.719 18.910 -3.124) 19.524 7.908 ( 4.323 2.579 -6.993) 8.616 7.935 ( 7.628 23.086 -3.557) 24.573 8.046 ( 0.139 -10.155 -1.799) 10.314 8.185 ( -7.029 14.166 -0.566) 15.824 8.821 ( 11.228 -8.875 4.521) 15.009 9.027 ( -6.838 -5.612 6.774) 11.142 9.264 ( 9.783 3.137 8.439) 13.296 9.502 ( -12.233 2.257 12.646) 17.739 9.817 ( 7.760 -21.301 5.057) 23.227 9.894 ( -0.423 -20.225 3.181) 20.478 10.227 ( 10.084 2.481 2.132) 10.602 10.323 ( 2.907 -0.069 -1.430) 3.240 10.431 ( -6.543 5.971 1.894) 9.058 10.477 ( -12.568 3.111 0.396) 12.954 10.781 ( 9.428 2.913 -3.690) 10.535 10.889 ( 1.462 -2.286 -3.842) 4.703 11.091 ( -1.350 -4.551 -0.549) 4.779 11.188 ( -8.271 -8.743 1.150) 12.090 12.826 ( 4.117 6.634 -6.341) 10.058 12.886 ( 2.604 5.208 -6.020) 8.375 12.911 ( -4.414 4.724 -6.359) 9.069 12.947 ( -4.339 3.244 -9.206) 10.682 13.356 ( 8.242 4.794 3.556) 10.177 13.481 ( -4.269 2.844 1.657) 5.391 13.641 ( 3.630 -5.560 2.965) 7.272 13.684 ( -0.271 -4.473 1.973) 4.896 14.045 ( 1.869 2.986 -0.423) 3.548 14.108 ( -4.192 3.273 -0.141) 5.320 14.382 ( 1.938 -10.470 11.706) 15.824 14.434 ( -3.276 -9.299 12.190) 15.677 17.716 ( 1.864 0.439 -7.496) 7.736 17.753 ( -1.986 2.490 -8.290) 8.881 17.877 ( 7.370 -6.173 -0.622) 9.633 18.016 ( -7.021 -7.951 -3.068) 11.042 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -6.958 -4.942) 8.535 1.445 ( 0.000 6.958 -4.942) 8.535 1.855 ( 0.000 -1.052 -4.706) 4.823 1.855 ( 0.000 1.052 -4.706) 4.823 1.977 ( 0.000 -3.995 4.512) 6.027 1.977 ( 0.000 3.995 4.512) 6.027 2.184 ( 0.000 -0.543 -4.484) 4.517 2.184 ( 0.000 0.543 -4.484) 4.517 2.584 ( 0.000 -10.135 -5.683) 11.619 2.584 ( 0.000 10.135 -5.683) 11.619 2.839 ( 0.000 -6.173 -13.523) 14.865 2.839 ( 0.000 6.173 -13.523) 14.865 4.254 ( 0.000 -2.956 14.081) 14.388 4.254 ( 0.000 2.956 14.081) 14.388 4.914 ( 0.000 -9.561 13.882) 16.856 4.914 ( 0.000 9.561 13.882) 16.856 5.704 ( 0.000 -11.144 -8.834) 14.221 5.704 ( 0.000 11.144 -8.834) 14.221 5.906 ( 0.000 -5.588 -8.384) 10.075 5.906 ( 0.000 5.588 -8.384) 10.075 6.811 ( 0.000 -6.659 5.660) 8.739 6.811 ( 0.000 6.659 5.660) 8.739 7.194 ( 0.000 -2.438 -3.849) 4.556 7.194 ( 0.000 2.438 -3.849) 4.556 7.651 ( 0.000 -7.626 -1.090) 7.704 7.651 ( 0.000 7.626 -1.090) 7.704 7.966 ( 0.000 -1.691 4.747) 5.040 7.966 ( 0.000 1.691 4.747) 5.040 8.408 ( 0.000 -13.171 4.707) 13.987 8.408 ( 0.000 13.171 4.707) 13.987 8.609 ( 0.000 -21.178 7.858) 22.589 8.609 ( 0.000 21.178 7.858) 22.589 9.333 ( 0.000 -0.788 -20.498) 20.513 9.333 ( 0.000 0.788 -20.498) 20.513 9.533 ( 0.000 -4.545 -13.838) 14.565 9.533 ( 0.000 4.545 -13.838) 14.565 9.845 ( 0.000 -1.355 2.337) 2.702 9.845 ( 0.000 1.355 2.337) 2.702 10.418 ( 0.000 -2.008 -15.009) 15.143 10.418 ( 0.000 2.008 -15.009) 15.143 11.254 ( 0.000 -16.056 -1.259) 16.105 11.254 ( 0.000 16.056 -1.259) 16.105 11.556 ( 0.000 -11.321 2.856) 11.676 11.556 ( 0.000 11.321 2.856) 11.676 12.649 ( 0.000 -3.101 1.752) 3.562 12.649 ( 0.000 3.101 1.752) 3.562 12.999 ( 0.000 -7.804 -0.365) 7.812 12.999 ( 0.000 7.804 -0.365) 7.812 13.255 ( 0.000 -1.166 -1.486) 1.889 13.255 ( 0.000 1.166 -1.486) 1.889 13.479 ( 0.000 -6.153 6.101) 8.666 13.479 ( 0.000 6.153 6.101) 8.666 14.094 ( 0.000 -4.467 3.127) 5.453 14.094 ( 0.000 4.467 3.127) 5.453 14.599 ( 0.000 -9.062 18.170) 20.305 14.599 ( 0.000 9.062 18.170) 20.305 17.512 ( 0.000 -0.915 -0.392) 0.995 17.512 ( 0.000 0.915 -0.392) 0.995 18.063 ( 0.000 -11.221 -4.719) 12.173 18.063 ( 0.000 11.221 -4.719) 12.173 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 2.308 -7.162 -2.719) 8.001 1.472 ( 2.308 7.162 -2.719) 8.001 1.823 ( -2.966 -2.151 -4.007) 5.429 1.823 ( -2.966 2.151 -4.007) 5.429 1.972 ( -0.899 -6.520 2.173) 6.931 1.972 ( -0.899 6.520 2.173) 6.931 2.179 ( 0.045 -1.984 -3.352) 3.895 2.179 ( 0.045 1.984 -3.352) 3.895 2.613 ( 2.339 -8.374 -5.210) 10.136 2.613 ( 2.339 8.374 -5.210) 10.136 2.828 ( -1.330 -4.927 -11.777) 12.835 2.828 ( -1.330 4.927 -11.777) 12.835 4.272 ( 2.468 -2.404 11.177) 11.696 4.272 ( 2.468 2.404 11.177) 11.696 4.885 ( -1.947 -15.705 11.356) 19.478 4.885 ( -1.947 15.705 11.356) 19.478 5.754 ( 3.138 -5.417 -1.764) 6.505 5.754 ( 3.138 5.417 -1.764) 6.505 5.910 ( 1.599 -6.890 -13.481) 15.224 5.910 ( 1.599 6.890 -13.481) 15.224 6.827 ( -1.517 -9.938 5.780) 11.596 6.827 ( -1.517 9.938 5.780) 11.596 7.121 ( -3.733 -3.037 -2.340) 5.351 7.121 ( -3.733 3.037 -2.340) 5.351 7.686 ( 3.229 -10.383 -2.787) 11.225 7.686 ( 3.229 10.383 -2.787) 11.225 7.910 ( -4.191 -2.906 3.989) 6.475 7.910 ( -4.191 2.906 3.989) 6.475 8.378 ( -5.585 -12.432 -1.320) 13.692 8.378 ( -5.585 12.432 -1.320) 13.692 8.729 ( 10.908 -15.752 9.724) 21.487 8.729 ( 10.908 15.752 9.724) 21.487 9.111 ( -12.865 -6.569 -18.904) 23.791 9.111 ( -12.865 6.569 -18.904) 23.791 9.687 ( 7.983 -2.351 -9.970) 12.987 9.687 ( 7.983 2.351 -9.970) 12.987 9.901 ( 5.435 -1.969 2.880) 6.458 9.901 ( 5.435 1.969 2.880) 6.458 10.412 ( -0.302 -1.496 -13.663) 13.748 10.412 ( -0.302 1.496 -13.663) 13.748 11.226 ( -2.918 -13.658 -1.743) 14.074 11.226 ( -2.918 13.658 -1.743) 14.074 11.470 ( -8.426 -11.938 1.715) 14.713 11.470 ( -8.426 11.938 1.715) 14.713 12.704 ( 5.170 -3.612 0.823) 6.360 12.704 ( 5.170 3.612 0.823) 6.360 13.038 ( 3.697 -6.890 -0.565) 7.839 13.038 ( 3.697 6.890 -0.565) 7.839 13.245 ( -1.050 -1.041 -1.480) 2.092 13.245 ( -1.050 1.041 -1.480) 2.092 13.494 ( 1.562 -5.264 5.642) 7.873 13.494 ( 1.562 5.264 5.642) 7.873 14.089 ( -0.517 -4.152 2.728) 4.995 14.089 ( -0.517 4.152 2.728) 4.995 14.570 ( -2.989 -7.950 17.394) 19.357 14.570 ( -2.989 7.950 17.394) 19.357 17.534 ( 2.186 -1.659 -0.258) 2.756 17.534 ( 2.186 1.659 -0.258) 2.756 18.048 ( -1.581 -11.018 -5.157) 12.267 18.048 ( -1.581 11.018 -5.157) 12.267 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 2.119 -5.801 1.387) 6.330 1.516 ( 2.119 5.801 1.387) 6.330 1.755 ( -3.917 -6.010 -0.981) 7.241 1.755 ( -3.917 6.010 -0.981) 7.241 1.953 ( -0.135 -7.635 -2.914) 8.174 1.953 ( -0.135 7.635 -2.914) 8.174 2.194 ( 1.235 -2.516 -1.255) 3.071 2.194 ( 1.235 2.516 -1.255) 3.071 2.643 ( 0.229 -6.082 -3.691) 7.118 2.643 ( 0.229 6.082 -3.691) 7.118 2.778 ( -4.191 -2.713 -7.417) 8.941 2.778 ( -4.191 2.713 -7.417) 8.941 4.372 ( 8.278 -6.038 4.585) 11.225 4.372 ( 8.278 6.038 4.585) 11.225 4.880 ( 1.838 -16.231 8.392) 18.364 4.880 ( 1.838 16.231 8.392) 18.364 5.780 ( 0.353 -3.800 1.461) 4.086 5.780 ( 0.353 3.800 1.461) 4.086 5.975 ( 4.054 -7.993 -16.508) 18.783 5.975 ( 4.054 7.993 -16.508) 18.783 6.651 ( -14.604 -12.165 2.231) 19.137 6.651 ( -14.604 12.165 2.231) 19.137 7.156 ( 4.313 -5.493 -0.674) 7.016 7.156 ( 4.313 5.493 -0.674) 7.016 7.753 ( 2.541 -5.895 -4.915) 8.084 7.753 ( 2.541 5.895 -4.915) 8.084 7.878 ( 1.482 -1.438 1.697) 2.673 7.878 ( 1.482 1.438 1.697) 2.673 8.137 ( -16.096 -7.863 -9.095) 20.090 8.137 ( -16.096 7.863 -9.095) 20.090 8.933 ( 2.360 -15.136 -4.176) 15.878 8.933 ( 2.360 15.136 -4.176) 15.878 9.005 ( 7.582 -17.807 3.043) 19.592 9.005 ( 7.582 17.807 3.043) 19.592 9.770 ( 0.409 -0.578 -1.742) 1.880 9.770 ( 0.409 0.578 -1.742) 1.880 10.029 ( 7.425 -2.720 2.500) 8.293 10.029 ( 7.425 2.720 2.500) 8.293 10.431 ( 3.317 -1.411 -10.261) 10.875 10.431 ( 3.317 1.411 -10.261) 10.875 11.110 ( -11.072 -7.336 -0.391) 13.287 11.110 ( -11.072 7.336 -0.391) 13.287 11.299 ( -6.996 -8.835 -1.396) 11.355 11.299 ( -6.996 8.835 -1.396) 11.355 12.811 ( 5.206 -2.464 -2.010) 6.101 12.811 ( 5.206 2.464 -2.010) 6.101 13.100 ( 0.787 -2.940 -4.813) 5.695 13.100 ( 0.787 2.940 -4.813) 5.695 13.241 ( 2.455 -4.307 2.240) 5.440 13.241 ( 2.455 4.307 2.240) 5.440 13.537 ( 2.892 -2.339 4.362) 5.733 13.537 ( 2.892 2.339 4.362) 5.733 14.080 ( -0.270 -3.859 2.158) 4.429 14.080 ( -0.270 3.859 2.158) 4.429 14.492 ( -5.106 -5.728 15.099) 16.937 14.492 ( -5.106 5.728 15.099) 16.937 17.591 ( 3.684 -1.775 -0.446) 4.113 17.591 ( 3.684 1.775 -0.446) 4.113 18.004 ( -2.908 -10.315 -6.035) 12.299 18.004 ( -2.908 10.315 -6.035) 12.299 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.690 -4.407 3.157) 5.679 1.551 ( 1.690 4.407 3.157) 5.679 1.682 ( -3.510 -5.175 0.456) 6.269 1.682 ( -3.510 5.175 0.456) 6.269 1.993 ( 4.418 -5.859 -3.862) 8.292 1.993 ( 4.418 5.859 -3.862) 8.292 2.216 ( 0.974 -2.086 -0.340) 2.327 2.216 ( 0.974 2.086 -0.340) 2.327 2.613 ( -3.320 -6.369 -1.082) 7.264 2.613 ( -3.320 6.369 -1.082) 7.264 2.669 ( -6.649 -5.914 -2.749) 9.313 2.669 ( -6.649 5.914 -2.749) 9.313 4.578 ( 12.750 -11.341 -0.094) 17.064 4.578 ( 12.750 11.341 -0.094) 17.064 4.944 ( 3.960 -10.454 6.444) 12.903 4.944 ( 3.960 10.454 6.444) 12.903 5.782 ( -0.162 -4.433 -2.464) 5.075 5.782 ( -0.162 4.433 -2.464) 5.075 6.032 ( 0.182 -7.856 -10.928) 13.460 6.032 ( 0.182 7.856 -10.928) 13.460 6.396 ( -8.215 -5.323 -5.972) 11.467 6.396 ( -8.215 5.323 -5.972) 11.467 7.127 ( -10.545 -7.155 -12.059) 17.544 7.127 ( -10.545 7.155 -12.059) 17.544 7.741 ( -6.509 -10.927 -8.169) 15.116 7.741 ( -6.509 10.927 -8.169) 15.116 7.783 ( -2.014 -4.295 -7.578) 8.940 7.783 ( -2.014 4.295 -7.578) 8.940 8.151 ( 14.053 -14.248 8.865) 21.888 8.151 ( 14.053 14.248 8.865) 21.888 8.880 ( -5.279 -18.806 -6.308) 20.526 8.880 ( -5.279 18.806 -6.308) 20.526 9.230 ( 11.688 -15.507 8.322) 21.127 9.230 ( 11.688 15.507 8.322) 21.127 9.714 ( -5.590 -2.421 5.748) 8.376 9.714 ( -5.590 2.421 5.748) 8.376 10.158 ( 6.102 -5.783 0.944) 8.459 10.158 ( 6.102 5.783 0.944) 8.459 10.569 ( 10.659 -4.596 -6.072) 13.100 10.569 ( 10.659 4.596 -6.072) 13.100 10.832 ( -15.762 -3.539 1.021) 16.186 10.832 ( -15.762 3.539 1.021) 16.186 11.196 ( -5.499 -3.470 -2.143) 6.846 11.196 ( -5.499 3.470 -2.143) 6.846 12.885 ( 2.586 -2.260 -4.775) 5.882 12.885 ( 2.586 2.260 -4.775) 5.882 13.054 ( -4.145 -1.255 -8.111) 9.194 13.054 ( -4.145 1.255 -8.111) 9.194 13.350 ( 7.477 -7.821 4.140) 11.585 13.350 ( 7.477 7.821 4.140) 11.585 13.587 ( 1.708 -1.531 3.054) 3.819 13.587 ( 1.708 1.531 3.054) 3.819 14.088 ( 1.527 -4.576 2.639) 5.499 14.088 ( 1.527 4.576 2.639) 5.499 14.381 ( -6.351 -4.717 11.511) 13.968 14.381 ( -6.351 4.717 11.511) 13.968 17.670 ( 4.594 -1.946 -1.716) 5.276 17.670 ( 4.594 1.946 -1.716) 5.276 17.939 ( -3.968 -8.928 -6.415) 11.688 17.939 ( -3.968 8.928 -6.415) 11.688 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.849 -3.986 2.384) 4.999 1.584 ( 1.849 3.986 2.384) 4.999 1.625 ( -2.541 -1.459 0.761) 3.028 1.625 ( -2.541 1.459 0.761) 3.028 2.109 ( 7.020 -3.191 -2.799) 8.203 2.109 ( 7.020 3.191 -2.799) 8.203 2.212 ( -2.558 -1.230 -1.600) 3.258 2.212 ( -2.558 1.230 -1.600) 3.258 2.539 ( -2.547 -6.694 1.889) 7.407 2.539 ( -2.547 6.694 1.889) 7.407 2.561 ( -4.105 -6.426 0.933) 7.682 2.561 ( -4.105 6.426 0.933) 7.682 4.823 ( 11.744 -12.546 0.796) 17.204 4.823 ( 11.744 12.546 0.796) 17.204 4.971 ( -2.793 -7.884 4.307) 9.408 4.971 ( -2.793 7.884 4.307) 9.408 5.796 ( 2.954 -8.977 -5.054) 10.717 5.796 ( 2.954 8.977 -5.054) 10.717 5.918 ( -9.028 -7.302 -3.418) 12.104 5.918 ( -9.028 7.302 -3.418) 12.104 6.465 ( 13.280 -5.518 -19.484) 24.216 6.465 ( 13.280 5.518 -19.484) 24.216 6.799 ( -20.033 -6.384 -21.419) 30.015 6.799 ( -20.033 6.384 -21.419) 30.015 7.709 ( 2.031 -2.513 -2.587) 4.139 7.709 ( 2.031 2.513 -2.587) 4.139 7.757 ( -2.145 -2.398 -2.771) 4.246 7.757 ( -2.145 2.398 -2.771) 4.246 8.456 ( 16.153 -17.698 4.440) 24.369 8.456 ( 16.153 17.698 4.440) 24.369 8.723 ( -11.350 -19.594 -2.110) 22.742 8.723 ( -11.350 19.594 -2.110) 22.742 9.427 ( 9.077 -13.446 8.427) 18.281 9.427 ( 9.077 13.446 8.427) 18.281 9.584 ( -7.610 -7.624 8.863) 13.950 9.584 ( -7.610 7.624 8.863) 13.950 10.294 ( 9.127 -2.929 0.593) 9.604 10.294 ( 9.127 2.929 0.593) 9.604 10.516 ( -13.822 -0.730 -0.216) 13.843 10.516 ( -13.822 0.730 -0.216) 13.843 10.833 ( 12.864 -2.483 -1.835) 13.229 10.833 ( 12.864 2.483 -1.835) 13.229 11.055 ( -9.708 -2.440 -1.495) 10.121 11.055 ( -9.708 2.440 -1.495) 10.121 12.925 ( 2.101 -1.838 -6.893) 7.437 12.925 ( 2.101 1.838 -6.893) 7.437 12.977 ( -3.513 -0.886 -8.190) 8.956 12.977 ( -3.513 0.886 -8.190) 8.956 13.488 ( 6.496 -6.862 3.299) 10.008 13.488 ( 6.496 6.862 3.299) 10.008 13.580 ( -2.750 -4.601 2.733) 6.017 13.580 ( -2.750 4.601 2.733) 6.017 14.147 ( 4.694 -5.755 4.478) 8.672 14.147 ( 4.694 5.755 4.478) 8.672 14.257 ( -6.459 -5.532 7.564) 11.382 14.257 ( -6.459 5.532 7.564) 11.382 17.762 ( 4.975 -4.189 -3.784) 7.524 17.762 ( 4.975 4.189 -3.784) 7.524 17.855 ( -4.726 -6.805 -5.630) 10.017 17.855 ( -4.726 6.805 -5.630) 10.017 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.379 ( 0.000 0.000 4.153) 4.153 1.435 ( 0.000 0.000 17.202) 17.202 1.536 ( 0.000 0.000 8.197) 8.197 1.841 ( 0.000 0.000 -7.363) 7.363 2.022 ( 0.000 0.000 -7.564) 7.564 2.056 ( 0.000 0.000 -3.555) 3.555 2.281 ( 0.000 0.000 -20.319) 20.319 2.344 ( 0.000 0.000 -15.690) 15.690 2.448 ( 0.000 0.000 -2.087) 2.087 2.475 ( 0.000 0.000 1.929) 1.929 2.704 ( 0.000 0.000 18.700) 18.700 3.074 ( 0.000 0.000 34.185) 34.185 3.124 ( 0.000 0.000 1.623) 1.623 3.891 ( 0.000 0.000 -11.988) 11.988 4.667 ( 0.000 0.000 -39.332) 39.332 4.813 ( 0.000 0.000 25.020) 25.020 5.047 ( 0.000 0.000 -23.682) 23.682 5.845 ( 0.000 0.000 22.482) 22.482 6.064 ( 0.000 0.000 20.594) 20.594 6.234 ( 0.000 0.000 -1.302) 1.302 6.494 ( 0.000 0.000 5.501) 5.501 6.524 ( 0.000 0.000 -24.863) 24.863 6.693 ( 0.000 0.000 3.570) 3.570 7.100 ( 0.000 0.000 -5.761) 5.761 7.208 ( 0.000 0.000 -9.617) 9.617 7.642 ( 0.000 0.000 24.846) 24.846 7.694 ( 0.000 0.000 5.241) 5.241 7.791 ( 0.000 0.000 8.214) 8.214 8.474 ( 0.000 0.000 -4.683) 4.683 8.642 ( 0.000 0.000 -32.773) 32.773 8.700 ( 0.000 0.000 -21.818) 21.818 8.998 ( 0.000 0.000 -16.507) 16.507 9.056 ( 0.000 0.000 -1.827) 1.827 9.367 ( 0.000 0.000 -11.362) 11.362 9.644 ( 0.000 0.000 9.206) 9.206 9.936 ( 0.000 0.000 0.953) 0.953 10.063 ( 0.000 0.000 23.914) 23.914 10.167 ( 0.000 0.000 4.559) 4.559 10.268 ( 0.000 0.000 -3.882) 3.882 10.351 ( 0.000 0.000 -8.909) 8.909 10.477 ( 0.000 0.000 -4.704) 4.704 11.031 ( 0.000 0.000 6.367) 6.367 11.310 ( 0.000 0.000 -15.000) 15.000 11.705 ( 0.000 0.000 -9.264) 9.264 12.589 ( 0.000 0.000 6.081) 6.081 12.839 ( 0.000 0.000 4.191) 4.191 12.843 ( 0.000 0.000 1.074) 1.074 12.871 ( 0.000 0.000 -1.017) 1.017 13.130 ( 0.000 0.000 -1.325) 1.325 13.419 ( 0.000 0.000 -3.682) 3.682 13.525 ( 0.000 0.000 -0.968) 0.968 13.560 ( 0.000 0.000 -2.640) 2.640 14.224 ( 0.000 0.000 7.803) 7.803 14.454 ( 0.000 0.000 0.095) 0.095 14.491 ( 0.000 0.000 21.269) 21.269 15.111 ( 0.000 0.000 3.584) 3.584 17.606 ( 0.000 0.000 -4.575) 4.575 17.609 ( 0.000 0.000 -5.202) 5.202 17.884 ( 0.000 0.000 14.101) 14.101 18.519 ( 0.000 0.000 -5.159) 5.159 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.445 0.000 -0.909) 5.521 1.421 ( -0.867 0.000 15.148) 15.173 1.533 ( 1.277 0.000 11.792) 11.861 1.809 ( -3.969 0.000 -9.256) 10.071 2.005 ( -1.450 0.000 -6.817) 6.970 2.062 ( -0.691 0.000 -4.579) 4.631 2.205 ( -6.406 0.000 -14.759) 16.089 2.345 ( 0.648 0.000 -11.234) 11.253 2.424 ( -2.181 0.000 -2.772) 3.527 2.464 ( -0.910 0.000 0.229) 0.938 2.800 ( 10.291 0.000 16.958) 19.836 3.143 ( 1.660 0.000 2.243) 2.790 3.211 ( 13.243 0.000 29.515) 32.350 3.984 ( 8.068 0.000 -8.465) 11.694 4.791 ( 11.686 0.000 -34.350) 36.284 4.841 ( 2.903 0.000 23.028) 23.210 5.056 ( 0.821 0.000 -21.014) 21.030 5.732 ( -8.278 0.000 9.422) 12.542 6.024 ( -3.955 0.000 17.512) 17.953 6.086 ( -14.605 0.000 -1.479) 14.680 6.415 ( -5.822 0.000 -6.360) 8.623 6.550 ( 0.677 0.000 -10.976) 10.997 6.703 ( 3.523 0.000 5.505) 6.536 7.204 ( 9.255 0.000 -4.116) 10.129 7.329 ( -15.041 0.000 6.351) 16.326 7.342 ( 7.340 0.000 -8.312) 11.089 7.742 ( -6.119 0.000 7.461) 9.649 8.094 ( 17.197 0.000 17.485) 24.525 8.229 ( -25.696 0.000 -19.379) 32.185 8.315 ( -12.756 0.000 0.973) 12.794 8.445 ( -17.354 0.000 -27.041) 32.131 8.968 ( -9.040 0.000 -7.142) 11.521 9.306 ( 0.172 0.000 -14.156) 14.157 9.362 ( 20.741 0.000 -13.670) 24.841 9.819 ( 10.878 0.000 10.130) 14.865 10.015 ( -2.380 0.000 20.354) 20.492 10.067 ( 11.831 0.000 1.290) 11.901 10.247 ( 5.829 0.000 6.461) 8.702 10.350 ( 7.414 0.000 -5.190) 9.050 10.389 ( 2.824 0.000 -5.900) 6.541 10.483 ( 0.610 0.000 -4.467) 4.509 10.950 ( -6.406 0.000 5.455) 8.414 11.252 ( -5.848 0.000 -14.345) 15.491 11.645 ( -4.930 0.000 -9.971) 11.124 12.565 ( -2.436 0.000 4.433) 5.059 12.714 ( -6.453 0.000 4.590) 7.919 12.854 ( 1.467 0.000 1.561) 2.142 12.988 ( 4.185 0.000 -3.012) 5.156 13.106 ( -2.035 0.000 0.355) 2.066 13.445 ( 2.349 0.000 -3.493) 4.210 13.560 ( 3.316 0.000 -1.020) 3.470 13.591 ( 3.205 0.000 -1.727) 3.640 14.237 ( 0.753 0.000 5.326) 5.379 14.320 ( -8.904 0.000 8.158) 12.076 14.600 ( 6.267 0.000 11.926) 13.472 15.063 ( -3.967 0.000 5.610) 6.870 17.583 ( -2.455 0.000 -5.244) 5.790 17.639 ( 2.496 0.000 -6.944) 7.379 17.898 ( 1.396 0.000 13.163) 13.237 18.492 ( -2.816 0.000 -5.079) 5.807 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -13.036 0.000 -3.266) 13.439 1.439 ( 3.505 0.000 11.746) 12.257 1.571 ( -2.880 0.000 3.822) 4.786 1.687 ( -4.468 0.000 -7.048) 8.345 1.955 ( -3.553 0.000 -2.619) 4.414 2.039 ( -1.239 0.000 -8.124) 8.218 2.096 ( -4.356 0.000 -6.397) 7.740 2.338 ( -3.068 0.000 -3.842) 4.917 2.378 ( -2.025 0.000 -2.501) 3.219 2.466 ( 1.485 0.000 -6.560) 6.726 3.073 ( 17.007 0.000 12.848) 21.315 3.190 ( 3.574 0.000 4.843) 6.019 3.534 ( 19.928 0.000 23.069) 30.485 4.138 ( 7.409 0.000 1.311) 7.524 4.914 ( 3.659 0.000 13.144) 13.644 5.016 ( 9.070 0.000 -20.115) 22.066 5.075 ( 1.727 0.000 -9.459) 9.615 5.642 ( -0.404 0.000 -7.713) 7.724 5.825 ( -8.905 0.000 -4.590) 10.019 5.947 ( -2.832 0.000 6.892) 7.451 6.289 ( -7.577 0.000 -3.152) 8.206 6.549 ( -0.590 0.000 -7.579) 7.602 6.764 ( 1.081 0.000 -0.937) 1.431 7.073 ( -12.433 0.000 -1.430) 12.515 7.251 ( -14.705 0.000 -10.459) 18.046 7.374 ( -5.073 0.000 -2.879) 5.833 7.549 ( -34.555 0.000 -24.235) 42.207 7.578 ( -2.411 0.000 9.060) 9.375 7.982 ( -15.778 0.000 -10.311) 18.849 8.309 ( 0.707 0.000 -2.165) 2.278 8.601 ( 25.410 0.000 23.127) 34.358 8.833 ( -3.242 0.000 -11.814) 12.251 9.292 ( -2.889 0.000 -13.394) 13.702 9.669 ( 10.852 0.000 -7.673) 13.291 10.008 ( 2.068 0.000 17.945) 18.063 10.023 ( 10.253 0.000 8.514) 13.328 10.272 ( 7.861 0.000 2.820) 8.352 10.360 ( 5.966 0.000 4.056) 7.214 10.400 ( -1.518 0.000 0.117) 1.522 10.499 ( 0.855 0.000 -3.176) 3.289 10.517 ( 9.530 0.000 -5.292) 10.901 10.893 ( 1.845 0.000 3.014) 3.533 11.105 ( -9.048 0.000 -12.471) 15.408 11.558 ( -3.987 0.000 -10.943) 11.647 12.508 ( -3.026 0.000 0.681) 3.102 12.622 ( -2.879 0.000 6.979) 7.549 12.855 ( -2.828 0.000 -7.796) 8.293 12.994 ( -3.182 0.000 -2.280) 3.915 13.100 ( 2.840 0.000 6.981) 7.537 13.487 ( 1.515 0.000 -3.203) 3.544 13.639 ( 4.746 0.000 -0.183) 4.749 13.671 ( 4.755 0.000 -0.558) 4.787 14.131 ( -10.544 0.000 5.031) 11.683 14.222 ( -2.997 0.000 -0.202) 3.004 14.719 ( 6.237 0.000 12.094) 13.607 15.007 ( -1.320 0.000 8.676) 8.776 17.525 ( -3.255 0.000 -6.246) 7.043 17.667 ( -0.167 0.000 -10.063) 10.065 17.937 ( 2.745 0.000 10.496) 10.849 18.417 ( -4.941 0.000 -4.676) 6.803 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -12.655 0.000 -5.739) 13.896 1.306 ( -18.867 0.000 -13.270) 23.067 1.557 ( 8.322 0.000 7.043) 10.903 1.753 ( 6.132 0.000 5.140) 8.001 1.911 ( -0.235 0.000 -0.571) 0.617 1.993 ( -3.973 0.000 -6.883) 7.947 2.030 ( -3.194 0.000 -1.721) 3.628 2.232 ( -7.107 0.000 -1.081) 7.188 2.370 ( 1.243 0.000 -5.206) 5.353 2.488 ( 0.191 0.000 -7.591) 7.593 3.281 ( 5.898 0.000 8.113) 10.030 3.376 ( 12.564 0.000 11.524) 17.049 3.945 ( 22.570 0.000 16.222) 27.795 4.284 ( 9.776 0.000 6.682) 11.841 4.896 ( -6.230 0.000 -2.562) 6.736 5.093 ( -1.165 0.000 -6.435) 6.539 5.191 ( 11.038 0.000 7.599) 13.401 5.599 ( -1.831 0.000 1.181) 2.179 5.891 ( 11.585 0.000 -27.612) 29.944 5.952 ( 3.632 0.000 -5.326) 6.446 6.113 ( -11.445 0.000 3.782) 12.053 6.528 ( -2.254 0.000 -6.381) 6.768 6.693 ( -9.078 0.000 -1.504) 9.202 6.733 ( -31.389 0.000 -17.587) 35.980 6.815 ( -17.198 0.000 -11.764) 20.836 6.969 ( -21.604 0.000 -19.117) 28.848 7.284 ( -2.585 0.000 -1.782) 3.140 7.468 ( -8.163 0.000 4.525) 9.333 7.967 ( 7.711 0.000 -5.757) 9.623 8.276 ( -4.413 0.000 -4.858) 6.563 8.862 ( 5.158 0.000 -4.489) 6.838 9.060 ( 22.260 0.000 21.199) 30.740 9.215 ( -4.527 0.000 -10.210) 11.169 9.761 ( -0.830 0.000 0.824) 1.169 10.110 ( 8.268 0.000 12.285) 14.808 10.162 ( 3.597 0.000 2.451) 4.353 10.339 ( -1.077 0.000 1.603) 1.931 10.420 ( 5.907 0.000 5.701) 8.210 10.459 ( 2.716 0.000 2.255) 3.530 10.512 ( 1.780 0.000 -1.066) 2.074 10.664 ( 4.534 0.000 1.499) 4.776 10.924 ( -9.742 0.000 -9.447) 13.570 11.011 ( 9.686 0.000 -1.227) 9.764 11.483 ( -4.308 0.000 -8.807) 9.804 12.472 ( -0.315 0.000 -3.841) 3.854 12.611 ( 1.575 0.000 6.119) 6.318 12.750 ( -7.188 0.000 -11.279) 13.375 12.898 ( -6.116 0.000 0.155) 6.118 13.205 ( 7.098 0.000 6.837) 9.855 13.492 ( -1.076 0.000 -2.072) 2.335 13.727 ( 4.218 0.000 0.727) 4.281 13.754 ( 3.573 0.000 0.210) 3.579 13.949 ( -7.524 0.000 -0.248) 7.528 14.119 ( -7.390 0.000 -4.272) 8.536 14.835 ( 5.842 0.000 12.776) 14.049 15.003 ( 0.250 0.000 10.729) 10.732 17.476 ( -1.419 0.000 -8.137) 8.260 17.628 ( -3.654 0.000 -11.578) 12.141 18.002 ( 4.025 0.000 6.607) 7.737 18.311 ( -5.977 0.000 -3.529) 6.941 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 1.054 0.000 -11.054) 11.105 0.950 ( -16.563 0.000 -13.866) 21.601 1.726 ( 8.813 0.000 1.162) 8.889 1.868 ( 5.595 0.000 3.254) 6.472 1.877 ( -6.678 0.000 -4.605) 8.111 1.961 ( -4.196 0.000 0.956) 4.303 1.969 ( 4.677 0.000 1.734) 4.988 2.090 ( -7.392 0.000 0.539) 7.412 2.415 ( 3.003 0.000 -6.775) 7.411 2.468 ( -2.207 0.000 -7.182) 7.514 3.403 ( 6.351 0.000 11.172) 12.852 3.486 ( -0.843 0.000 13.089) 13.116 4.363 ( 20.516 0.000 8.206) 22.096 4.567 ( 19.380 0.000 4.185) 19.827 4.698 ( -14.272 0.000 0.713) 14.290 4.930 ( -15.882 0.000 4.047) 16.389 5.470 ( 17.808 0.000 7.217) 19.215 5.700 ( 12.751 0.000 -12.949) 18.173 5.830 ( -18.238 0.000 8.062) 19.941 6.001 ( -10.683 0.000 -27.149) 29.175 6.081 ( 9.694 0.000 -13.223) 16.396 6.305 ( -2.273 0.000 -6.057) 6.470 6.327 ( -16.249 0.000 -18.051) 24.287 6.470 ( -12.340 0.000 -3.677) 12.877 6.632 ( 1.287 0.000 -9.747) 9.831 6.728 ( -8.059 0.000 -9.192) 12.225 7.289 ( 2.465 0.000 -7.077) 7.494 7.356 ( -4.307 0.000 -0.123) 4.309 8.089 ( 5.040 0.000 -6.954) 8.588 8.183 ( -4.984 0.000 -5.550) 7.460 8.987 ( 7.332 0.000 -1.606) 7.506 9.118 ( -6.003 0.000 -5.188) 7.934 9.428 ( 16.096 0.000 15.603) 22.417 9.665 ( -8.800 0.000 8.433) 12.188 10.210 ( 2.848 0.000 0.188) 2.854 10.280 ( -4.104 0.000 0.323) 4.116 10.283 ( 8.955 0.000 7.744) 11.839 10.421 ( -5.084 0.000 4.188) 6.587 10.566 ( 7.672 0.000 7.512) 10.737 10.602 ( 6.278 0.000 -2.031) 6.599 10.674 ( -3.103 0.000 6.815) 7.489 10.745 ( -8.716 0.000 -5.677) 10.402 11.214 ( 10.429 0.000 -4.791) 11.477 11.380 ( -6.872 0.000 -6.215) 9.266 12.505 ( 3.843 0.000 -8.017) 8.890 12.611 ( -6.896 0.000 -10.659) 12.695 12.672 ( 4.646 0.000 4.409) 6.405 12.779 ( -6.212 0.000 2.688) 6.769 13.340 ( 6.576 0.000 3.390) 7.398 13.443 ( -4.087 0.000 0.179) 4.091 13.788 ( 1.975 0.000 1.034) 2.229 13.798 ( 0.947 0.000 0.806) 1.243 13.882 ( 0.931 0.000 -4.710) 4.801 13.970 ( -7.308 0.000 -6.063) 9.496 14.934 ( 4.310 0.000 12.959) 13.657 14.992 ( -1.753 0.000 12.299) 12.423 17.481 ( 2.040 0.000 -10.288) 10.488 17.546 ( -4.384 0.000 -11.599) 12.400 18.089 ( 5.168 0.000 2.383) 5.691 18.196 ( -5.944 0.000 -1.192) 6.062 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -0.163 6.549) 6.551 1.471 ( 0.000 2.832 13.546) 13.839 1.571 ( 0.000 3.345 4.832) 5.877 1.807 ( 0.000 -2.799 -8.187) 8.652 1.984 ( 0.000 -2.605 -5.822) 6.378 2.065 ( 0.000 1.500 -5.058) 5.276 2.270 ( 0.000 -4.219 -11.961) 12.683 2.293 ( 0.000 -0.104 -15.523) 15.524 2.398 ( 0.000 -4.370 -0.759) 4.435 2.449 ( 0.000 -1.616 -1.958) 2.539 2.642 ( 0.000 -4.562 10.805) 11.728 3.005 ( 0.000 -10.156 -1.139) 10.220 3.482 ( 0.000 31.269 23.280) 38.984 4.000 ( 0.000 9.837 -9.407) 13.611 4.766 ( 0.000 9.059 -35.503) 36.640 4.934 ( 0.000 7.631 24.994) 26.133 5.176 ( 0.000 12.866 -22.306) 25.751 5.650 ( 0.000 -11.642 22.393) 25.239 6.166 ( 0.000 2.589 24.124) 24.263 6.199 ( 0.000 -3.513 -0.189) 3.518 6.532 ( 0.000 3.792 -8.464) 9.274 6.647 ( 0.000 13.638 3.766) 14.149 6.846 ( 0.000 11.943 -10.617) 15.980 7.101 ( 0.000 0.455 -3.087) 3.120 7.209 ( 0.000 1.131 -9.211) 9.280 7.564 ( 0.000 -5.085 19.295) 19.954 7.854 ( 0.000 12.766 3.526) 13.244 7.889 ( 0.000 6.830 8.453) 10.868 8.426 ( 0.000 -4.438 -2.402) 5.046 8.578 ( 0.000 -5.219 -19.504) 20.190 8.729 ( 0.000 2.139 -23.761) 23.857 8.979 ( 0.000 -5.707 -6.083) 8.342 8.985 ( 0.000 -1.229 -17.312) 17.356 9.344 ( 0.000 -2.158 -11.280) 11.484 9.465 ( 0.000 -12.980 8.103) 15.301 9.770 ( 0.000 -14.990 -0.172) 14.991 10.014 ( 0.000 -9.641 3.073) 10.119 10.138 ( 0.000 -2.233 11.197) 11.417 10.271 ( 0.000 -2.544 -3.948) 4.697 10.376 ( 0.000 -4.804 -5.969) 7.662 10.470 ( 0.000 13.653 0.248) 13.656 11.172 ( 0.000 10.699 6.416) 12.475 11.363 ( 0.000 3.940 -12.880) 13.469 11.746 ( 0.000 2.406 -7.124) 7.519 12.599 ( 0.000 1.131 5.598) 5.711 12.782 ( 0.000 -2.318 1.954) 3.032 12.855 ( 0.000 -0.921 -0.480) 1.038 12.935 ( 0.000 4.936 0.602) 4.973 13.161 ( 0.000 2.976 0.205) 2.983 13.394 ( 0.000 -2.476 -1.884) 3.111 13.514 ( 0.000 -0.878 0.416) 0.972 13.593 ( 0.000 2.535 -1.244) 2.824 14.188 ( 0.000 -3.132 5.626) 6.439 14.383 ( 0.000 -6.389 -0.152) 6.391 14.573 ( 0.000 7.349 19.992) 21.300 15.099 ( 0.000 -1.267 5.325) 5.474 17.552 ( 0.000 -4.218 -3.185) 5.286 17.635 ( 0.000 2.756 -5.840) 6.457 17.826 ( 0.000 -5.310 12.500) 13.581 18.433 ( 0.000 -7.946 -5.452) 9.637 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -2.315 1.638 2.496) 3.778 1.459 ( -0.779 3.542 9.395) 10.071 1.568 ( 0.388 3.211 9.268) 9.816 1.789 ( -2.210 -1.878 -9.020) 9.475 1.961 ( -2.433 -3.116 -5.893) 7.096 2.025 ( -3.282 -0.690 -6.194) 7.044 2.273 ( -1.302 2.417 -10.782) 11.126 2.293 ( 0.928 -4.409 -8.424) 9.553 2.394 ( -0.097 -1.723 -2.775) 3.268 2.450 ( 0.152 -0.814 -2.963) 3.077 2.725 ( 8.429 -4.985 9.999) 13.995 3.016 ( 1.203 -10.533 0.003) 10.602 3.563 ( 8.827 27.460 22.799) 36.766 4.081 ( 6.931 8.971 -6.667) 13.152 4.825 ( 5.080 3.864 -18.702) 19.761 4.980 ( 4.826 8.686 13.351) 16.643 5.191 ( 1.533 12.769 -21.611) 25.148 5.622 ( -1.872 -6.646 12.467) 14.251 6.006 ( -10.262 -2.182 6.480) 12.331 6.148 ( -8.683 2.921 10.775) 14.143 6.544 ( -1.045 7.723 -3.758) 8.652 6.588 ( -11.023 2.276 -10.022) 15.070 6.735 ( 4.539 11.489 4.610) 13.185 7.214 ( 1.115 1.327 -7.305) 7.508 7.343 ( 10.510 1.253 -9.244) 14.053 7.505 ( -4.988 8.240 11.133) 14.722 7.683 ( -7.054 -0.690 5.066) 8.712 8.191 ( -25.589 -2.798 -15.704) 30.154 8.211 ( 18.646 8.275 15.360) 25.536 8.295 ( -15.196 -1.769 -2.052) 15.436 8.472 ( -17.031 2.536 -25.473) 30.746 8.865 ( -6.454 -7.656 -4.554) 11.000 9.242 ( 3.718 -5.776 -14.441) 15.991 9.400 ( 16.884 2.495 -12.886) 21.385 9.655 ( 11.492 -11.890 8.734) 18.701 9.835 ( 4.838 -13.712 3.738) 15.014 10.058 ( 5.718 -7.823 3.503) 10.304 10.214 ( 6.381 -2.711 6.781) 9.698 10.317 ( 4.512 -3.954 -3.598) 6.995 10.383 ( 0.299 -5.873 -5.151) 7.818 10.521 ( 4.786 13.698 0.148) 14.511 11.075 ( -8.189 9.648 5.636) 13.853 11.301 ( -6.386 3.519 -11.723) 13.805 11.682 ( -5.640 2.063 -8.294) 10.240 12.588 ( -1.318 2.135 3.855) 4.600 12.727 ( -3.483 1.067 3.913) 5.346 12.885 ( 1.492 2.277 0.709) 2.813 12.967 ( 1.773 -0.789 -3.929) 4.382 13.146 ( -1.223 3.479 1.642) 4.037 13.417 ( 2.319 -2.707 -1.808) 3.997 13.550 ( 3.531 -0.942 0.326) 3.669 13.613 ( 1.931 1.812 -0.609) 2.717 14.196 ( 0.430 -3.542 4.153) 5.475 14.313 ( -6.379 -2.207 2.518) 7.204 14.616 ( 3.633 2.953 15.876) 16.552 15.047 ( -4.556 -1.542 6.774) 8.308 17.578 ( 1.668 -3.694 -4.630) 6.154 17.616 ( -1.459 2.215 -6.396) 6.925 17.840 ( 1.397 -5.297 11.617) 12.844 18.407 ( -2.669 -7.820 -5.374) 9.857 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -9.284 7.729 -1.806) 12.214 1.479 ( 3.213 3.651 7.740) 9.141 1.581 ( -2.277 1.210 1.886) 3.195 1.715 ( -3.206 1.793 -5.620) 6.714 1.905 ( -2.614 -4.699 -4.991) 7.337 1.976 ( -1.691 0.751 -3.056) 3.572 2.234 ( -1.425 2.718 -6.572) 7.253 2.302 ( -1.408 -2.504 -4.009) 4.933 2.376 ( -2.128 1.954 -4.445) 5.302 2.463 ( 1.092 0.006 -4.922) 5.041 2.944 ( 13.617 -8.659 8.897) 18.427 3.055 ( 3.059 -11.088 3.057) 11.902 3.811 ( 16.355 20.845 19.933) 33.156 4.219 ( 7.435 8.199 1.505) 11.170 4.925 ( 5.564 -2.716 -0.851) 6.250 5.069 ( 2.867 6.296 4.247) 8.118 5.225 ( 1.101 12.732 -14.963) 19.677 5.644 ( 4.450 1.992 -6.721) 8.303 5.817 ( -7.732 -0.618 -2.851) 8.264 5.985 ( -5.797 1.644 7.416) 9.555 6.386 ( -9.104 5.448 -10.017) 14.591 6.533 ( -1.620 0.157 1.669) 2.331 6.792 ( -0.300 9.386 -2.697) 9.771 7.172 ( -8.275 -0.024 -7.605) 11.238 7.251 ( -18.602 3.427 -19.708) 27.317 7.406 ( -11.466 4.430 5.723) 13.559 7.612 ( 0.441 4.261 1.457) 4.525 7.627 ( -24.740 5.300 -10.675) 27.462 8.005 ( -12.360 2.369 -8.551) 15.215 8.302 ( -1.625 -0.466 -4.016) 4.357 8.613 ( 18.725 -1.454 13.119) 22.910 8.803 ( 3.852 0.412 -0.372) 3.891 9.263 ( -1.201 -2.842 -13.855) 14.195 9.678 ( 9.745 0.620 -7.066) 12.053 9.872 ( 11.200 -9.725 9.135) 17.420 9.933 ( 6.429 -10.840 8.734) 15.334 10.207 ( 7.960 -6.218 1.061) 10.156 10.292 ( 1.359 -3.833 4.188) 5.837 10.402 ( 2.248 -6.739 -3.429) 7.888 10.442 ( 7.453 -0.762 0.705) 7.525 10.613 ( 4.402 9.670 -2.679) 10.957 10.941 ( -4.656 4.695 4.275) 7.874 11.146 ( -8.919 2.968 -10.009) 13.731 11.565 ( -6.369 -0.505 -9.105) 11.123 12.552 ( -1.974 3.984 0.270) 4.455 12.680 ( -1.250 5.030 5.512) 7.566 12.877 ( -3.377 2.022 -7.864) 8.794 12.970 ( -1.501 -1.602 -2.209) 3.114 13.140 ( 1.737 3.434 6.160) 7.263 13.469 ( 2.559 -1.930 -2.187) 3.881 13.633 ( 4.692 -0.757 0.519) 4.781 13.659 ( 2.904 -0.681 0.610) 3.044 14.148 ( -7.780 -0.475 3.369) 8.492 14.201 ( -3.118 -0.574 -0.915) 3.299 14.693 ( 4.280 -1.877 13.286) 14.084 14.965 ( -3.330 -3.622 8.966) 10.228 17.551 ( -2.975 2.361 -6.289) 7.347 17.623 ( 0.374 -3.137 -8.469) 9.039 17.879 ( 2.696 -5.329 9.218) 10.984 18.336 ( -4.668 -7.451 -4.999) 10.114 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -8.706 13.761 -2.666) 16.501 1.374 ( -14.540 5.599 -10.475) 18.774 1.591 ( 6.678 2.708 4.361) 8.423 1.761 ( 5.287 0.996 2.134) 5.788 1.867 ( -1.561 -4.441 -2.227) 5.208 1.966 ( 0.768 3.918 -0.793) 4.071 2.201 ( -3.315 7.350 -5.202) 9.595 2.238 ( -4.906 0.456 -1.097) 5.048 2.344 ( 0.037 -1.379 -3.625) 3.878 2.470 ( -0.676 -1.200 -6.229) 6.380 3.132 ( 4.928 -12.325 6.721) 14.878 3.189 ( 10.319 -13.702 9.291) 19.507 4.133 ( 16.179 11.929 14.729) 24.920 4.407 ( 14.102 13.063 6.629) 20.333 4.999 ( -2.140 -0.585 -8.648) 8.928 5.122 ( 5.646 4.793 11.901) 14.017 5.208 ( -1.860 7.765 -4.554) 9.192 5.623 ( -2.731 2.440 0.512) 3.698 5.867 ( 7.100 -2.544 -15.916) 17.613 5.987 ( 6.282 1.868 -11.308) 13.070 6.189 ( -11.766 4.831 -2.758) 13.014 6.479 ( -5.485 -3.582 1.333) 6.685 6.637 ( -21.848 -3.797 -16.684) 27.751 6.773 ( -18.988 4.189 -19.281) 27.383 6.940 ( -14.838 12.789 -12.036) 22.991 7.120 ( -13.974 12.747 0.059) 18.915 7.379 ( -1.947 8.369 -5.240) 10.065 7.572 ( -4.646 9.361 3.717) 11.092 7.979 ( 4.769 0.880 -8.391) 9.692 8.247 ( -4.521 -2.651 -4.106) 6.658 8.813 ( 7.784 -4.062 -0.734) 8.810 9.101 ( 19.409 3.874 19.091) 27.499 9.213 ( -2.854 -0.600 -9.328) 9.774 9.761 ( -0.228 0.015 0.904) 0.933 10.055 ( 8.133 -6.259 7.376) 12.638 10.089 ( 7.947 -8.018 4.070) 12.000 10.286 ( 3.939 -7.542 4.480) 9.616 10.365 ( 2.727 0.338 2.700) 3.852 10.441 ( 1.044 -4.778 -0.303) 4.900 10.521 ( 2.750 1.817 2.184) 3.954 10.675 ( -0.380 3.593 -0.867) 3.715 10.935 ( 3.577 -5.702 1.786) 6.964 10.988 ( -5.716 3.934 -9.680) 11.910 11.445 ( -6.278 -3.837 -7.396) 10.432 12.533 ( 0.296 5.318 -3.569) 6.411 12.680 ( 1.088 5.979 4.144) 7.356 12.777 ( -6.177 2.352 -10.487) 12.396 12.896 ( -5.499 -0.037 -1.251) 5.640 13.229 ( 6.626 2.357 6.514) 9.586 13.495 ( -0.172 0.157 -1.759) 1.774 13.707 ( 3.240 -2.017 1.790) 4.215 13.727 ( 3.663 -1.878 0.321) 4.129 13.997 ( -6.606 3.427 -0.230) 7.445 14.118 ( -5.921 0.588 -3.295) 6.802 14.774 ( 4.114 -5.731 12.416) 14.280 14.923 ( -1.496 -7.093 10.371) 12.653 17.503 ( -1.616 2.670 -7.861) 8.458 17.601 ( -2.469 -1.917 -10.084) 10.557 17.942 ( 3.909 -5.476 5.650) 8.786 18.236 ( -5.647 -6.909 -3.930) 9.750 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.811 16.810 -5.690) 17.765 1.107 ( -11.867 12.622 -9.120) 19.578 1.715 ( 5.761 -0.673 -0.266) 5.806 1.801 ( -2.930 -3.398 -3.783) 5.868 1.904 ( 6.539 2.568 3.388) 7.799 1.990 ( -0.026 4.001 -0.465) 4.028 2.115 ( -3.524 8.087 1.288) 8.914 2.142 ( -4.510 4.497 0.065) 6.369 2.380 ( 3.008 -3.032 -5.361) 6.854 2.437 ( -2.627 -2.569 -6.035) 7.065 3.230 ( 4.923 -14.135 9.873) 17.931 3.288 ( 0.057 -15.708 11.193) 19.288 4.449 ( 18.135 5.406 7.950) 20.526 4.719 ( 10.022 10.298 4.595) 15.086 4.827 ( -7.672 11.240 2.820) 13.898 5.049 ( -11.515 14.180 2.824) 18.483 5.388 ( 16.833 -7.329 0.691) 18.373 5.649 ( -0.439 -3.764 -9.067) 9.827 5.871 ( -7.846 0.127 -1.793) 8.049 5.992 ( -2.266 -0.210 -17.779) 17.924 6.107 ( -3.090 0.494 -15.270) 15.588 6.292 ( -10.044 -1.504 -10.447) 14.570 6.298 ( -1.327 -0.934 -11.244) 11.361 6.474 ( -11.093 -0.117 -11.211) 15.772 6.835 ( 0.458 18.865 -3.836) 19.256 6.912 ( -7.422 17.655 -2.686) 19.339 7.415 ( 3.842 11.975 -7.479) 14.632 7.492 ( -3.979 12.851 -2.511) 13.685 8.060 ( 4.066 -3.212 -8.363) 9.839 8.152 ( -5.262 -3.154 -5.258) 8.080 8.969 ( 8.314 -1.413 0.697) 8.461 9.111 ( -6.186 -0.553 -2.962) 6.881 9.460 ( 15.559 2.418 14.787) 21.600 9.685 ( -7.844 1.301 8.111) 11.358 10.168 ( 4.040 -4.702 0.916) 6.267 10.202 ( 2.819 -6.739 0.763) 7.345 10.347 ( -0.456 2.474 4.102) 4.812 10.392 ( -0.594 -7.217 3.477) 8.033 10.440 ( 5.465 -3.474 7.623) 10.002 10.585 ( -6.839 -3.420 7.030) 10.387 10.645 ( 8.106 1.645 -2.511) 8.644 10.812 ( -8.833 3.251 -3.192) 9.939 11.133 ( 10.717 -6.916 -6.019) 14.104 11.313 ( -8.002 -5.997 -6.032) 11.678 12.569 ( 3.478 5.368 -7.265) 9.679 12.658 ( -5.531 4.040 -9.775) 11.936 12.720 ( 2.707 4.193 2.229) 5.466 12.793 ( -4.869 1.306 1.080) 5.156 13.358 ( 6.396 1.889 3.402) 7.487 13.457 ( -3.745 1.457 0.407) 4.039 13.762 ( 2.281 -2.613 0.817) 3.563 13.775 ( 1.082 -1.743 0.615) 2.142 13.929 ( 0.014 4.016 -2.846) 4.923 13.996 ( -6.055 2.919 -3.958) 7.801 14.844 ( 3.185 -8.377 11.941) 14.930 14.893 ( -1.947 -9.051 11.370) 14.662 17.499 ( 1.218 1.874 -9.492) 9.751 17.543 ( -3.131 0.122 -10.383) 10.845 18.026 ( 4.938 -5.810 1.663) 7.805 18.128 ( -5.632 -6.322 -1.727) 8.641 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 1.585 8.377) 8.526 1.507 ( 0.000 -0.567 5.336) 5.366 1.656 ( 0.000 3.950 -1.291) 4.155 1.748 ( 0.000 -2.294 -8.870) 9.162 1.974 ( 0.000 2.777 1.946) 3.391 2.085 ( 0.000 -0.448 -6.907) 6.922 2.229 ( 0.000 -5.537 -2.878) 6.240 2.243 ( 0.000 -2.690 -1.925) 3.308 2.307 ( 0.000 1.798 -2.398) 2.998 2.449 ( 0.000 1.458 -13.788) 13.865 2.555 ( 0.000 -3.456 -5.521) 6.514 2.757 ( 0.000 -12.689 -6.190) 14.118 4.107 ( 0.000 23.877 5.803) 24.572 4.241 ( 0.000 11.252 -5.452) 12.503 5.009 ( 0.000 12.347 -20.809) 24.197 5.064 ( 0.000 4.995 11.898) 12.904 5.467 ( 0.000 -4.331 17.526) 18.053 5.473 ( 0.000 11.604 -6.266) 13.188 6.086 ( 0.000 -6.711 4.188) 7.911 6.122 ( 0.000 -5.220 23.479) 24.052 6.715 ( 0.000 11.601 2.827) 11.941 6.899 ( 0.000 4.780 -5.780) 7.501 7.029 ( 0.000 3.864 -12.437) 13.023 7.177 ( 0.000 5.819 7.756) 9.697 7.360 ( 0.000 14.132 -7.072) 15.803 7.507 ( 0.000 3.423 11.307) 11.814 8.000 ( 0.000 2.004 0.434) 2.051 8.105 ( 0.000 7.798 2.746) 8.267 8.316 ( 0.000 -3.498 1.153) 3.683 8.510 ( 0.000 2.526 0.220) 2.536 8.767 ( 0.000 -5.216 -12.977) 13.986 8.817 ( 0.000 -4.905 -14.063) 14.894 8.946 ( 0.000 -2.607 -19.089) 19.266 9.234 ( 0.000 -13.557 -0.592) 13.570 9.250 ( 0.000 -4.664 -3.206) 5.659 9.395 ( 0.000 -14.728 -10.677) 18.191 9.863 ( 0.000 -3.652 1.489) 3.944 10.004 ( 0.000 -7.743 2.246) 8.063 10.191 ( 0.000 -3.476 -6.638) 7.493 10.252 ( 0.000 -5.488 -9.040) 10.575 10.879 ( 0.000 20.840 5.019) 21.436 11.400 ( 0.000 10.551 5.318) 11.816 11.402 ( 0.000 -1.840 -6.956) 7.195 11.744 ( 0.000 -3.429 -2.848) 4.458 12.640 ( 0.000 2.565 4.163) 4.889 12.736 ( 0.000 -2.131 1.908) 2.861 12.870 ( 0.000 3.119 -0.063) 3.120 13.011 ( 0.000 1.541 -3.890) 4.184 13.232 ( 0.000 2.461 1.919) 3.120 13.323 ( 0.000 -3.785 0.914) 3.894 13.514 ( 0.000 1.921 4.582) 4.968 13.632 ( 0.000 0.442 1.722) 1.778 14.119 ( 0.000 -2.727 1.474) 3.099 14.224 ( 0.000 -7.687 -0.872) 7.736 14.760 ( 0.000 9.583 17.596) 20.036 15.050 ( 0.000 -3.616 9.623) 10.280 17.487 ( 0.000 -0.820 -0.683) 1.067 17.682 ( 0.000 -7.597 7.565) 10.721 17.739 ( 0.000 7.230 -6.224) 9.539 18.211 ( 0.000 -12.617 -6.205) 14.060 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 1.692 2.638 6.242) 6.985 1.532 ( 1.953 1.545 2.306) 3.394 1.639 ( -1.289 2.773 0.902) 3.188 1.742 ( -0.715 -2.020 -7.263) 7.572 1.927 ( -3.862 1.189 -0.294) 4.051 2.057 ( -3.425 2.909 -7.092) 8.396 2.176 ( -1.574 -6.280 -1.137) 6.573 2.243 ( 0.011 -4.060 -1.712) 4.406 2.398 ( 5.698 2.376 -2.672) 6.726 2.470 ( 1.754 2.937 -13.535) 13.961 2.620 ( 6.213 -4.958 -2.875) 8.453 2.770 ( 1.282 -11.998 -4.759) 12.971 4.120 ( 2.810 21.516 6.841) 22.752 4.306 ( 5.383 10.274 -2.762) 11.923 4.955 ( -2.841 8.344 -0.048) 8.814 5.112 ( 1.744 3.464 3.373) 5.140 5.443 ( 1.133 7.238 -9.824) 12.255 5.566 ( 6.048 2.234 6.514) 9.165 5.947 ( -8.216 -2.472 8.085) 11.789 6.116 ( -4.701 -5.514 12.788) 14.698 6.661 ( -10.119 8.200 -0.124) 13.025 6.772 ( -3.740 10.484 -8.868) 14.232 7.018 ( -2.645 3.826 -7.571) 8.886 7.279 ( 4.878 5.227 3.817) 8.105 7.360 ( 1.508 4.502 -1.126) 4.880 7.592 ( 4.882 7.142 5.941) 10.495 7.826 ( -10.540 8.160 -0.978) 13.366 8.147 ( -14.069 -1.127 -0.539) 14.124 8.177 ( -7.075 -5.703 -2.425) 9.405 8.400 ( -4.887 4.564 -2.264) 7.059 8.551 ( -13.666 5.238 -21.635) 26.120 8.751 ( 2.326 -0.748 2.985) 3.858 9.044 ( 5.731 -13.390 -9.809) 17.560 9.359 ( 10.024 -18.339 5.799) 21.690 9.445 ( 15.563 0.604 -11.244) 19.209 9.539 ( 9.727 -8.830 -6.399) 14.613 9.922 ( 6.845 -3.578 1.491) 7.867 10.072 ( 5.632 -8.403 1.334) 10.203 10.225 ( 3.852 -3.716 -5.917) 7.979 10.265 ( 1.177 -4.863 -7.393) 8.927 10.894 ( 1.148 18.837 4.651) 19.437 11.287 ( -10.252 10.041 4.412) 15.013 11.339 ( -6.393 -0.980 -5.677) 8.606 11.664 ( -7.707 -4.678 -4.004) 9.865 12.653 ( 1.009 3.791 2.678) 4.750 12.746 ( 1.066 0.272 1.976) 2.262 12.915 ( 3.651 1.847 -1.176) 4.257 12.995 ( -1.971 2.097 -5.467) 6.178 13.226 ( -0.583 3.100 2.712) 4.160 13.337 ( 1.859 -4.536 1.066) 5.017 13.541 ( 2.773 1.069 4.089) 5.055 13.640 ( 0.762 0.142 1.910) 2.062 14.117 ( -0.305 -3.107 1.414) 3.427 14.209 ( -1.377 -6.453 -0.874) 6.656 14.740 ( -2.067 7.758 16.459) 18.313 14.995 ( -5.311 -3.554 9.847) 11.739 17.511 ( 2.127 -1.154 -1.629) 2.917 17.693 ( 0.892 -6.063 4.697) 7.721 17.722 ( -1.428 5.818 -4.163) 7.295 18.188 ( -2.325 -12.449 -6.131) 14.070 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -1.125 7.514 1.202) 7.692 1.565 ( 1.581 3.413 -0.016) 3.761 1.614 ( -1.773 1.655 0.107) 2.427 1.730 ( 0.197 -0.680 -3.862) 3.927 1.856 ( -2.973 0.887 -0.695) 3.180 2.006 ( -0.550 0.605 -3.318) 3.417 2.169 ( 0.408 -3.840 -1.121) 4.021 2.246 ( 0.104 -3.255 -2.559) 4.142 2.479 ( 2.245 2.767 -3.225) 4.806 2.487 ( -0.699 5.499 -9.651) 11.129 2.758 ( 7.225 -9.243 0.697) 11.752 2.807 ( 2.902 -11.095 -1.160) 11.526 4.225 ( 7.245 16.279 8.769) 19.859 4.440 ( 9.803 9.185 3.144) 13.797 4.924 ( -0.233 3.928 6.292) 7.421 5.121 ( 0.210 0.431 5.496) 5.517 5.485 ( 2.335 8.714 -11.844) 14.888 5.693 ( 6.491 -1.206 -8.227) 10.548 5.828 ( -4.748 4.049 4.330) 7.595 5.987 ( -6.208 -1.385 7.012) 9.467 6.448 ( -10.757 3.983 -6.444) 13.157 6.672 ( -9.360 6.448 -6.301) 12.996 6.892 ( -10.234 0.142 -14.080) 17.407 7.200 ( -16.538 -4.237 -14.555) 22.434 7.419 ( 2.777 20.049 5.654) 21.016 7.573 ( -7.334 10.188 -0.440) 12.561 7.687 ( -0.346 2.025 1.294) 2.427 7.762 ( -19.884 7.564 -9.794) 23.420 8.042 ( -2.560 -0.615 1.549) 3.055 8.333 ( -5.669 3.664 -4.018) 7.855 8.503 ( 8.502 -5.023 -3.431) 10.454 8.925 ( 13.593 9.435 11.052) 19.898 9.126 ( 2.229 -12.508 -10.968) 16.784 9.565 ( 10.646 -19.559 7.196) 23.403 9.681 ( 8.067 -1.155 -3.125) 8.728 9.723 ( 10.150 -4.467 -3.232) 11.551 10.109 ( 11.355 -3.339 0.331) 11.841 10.157 ( 3.162 -6.931 2.893) 8.149 10.273 ( 1.386 -3.675 -4.659) 6.093 10.379 ( 10.659 -4.885 -4.115) 12.426 10.888 ( -3.119 14.646 3.751) 15.437 11.072 ( -11.567 7.190 3.122) 13.973 11.188 ( -8.130 0.417 -5.343) 9.737 11.489 ( -9.777 -7.321 -4.426) 12.991 12.665 ( 0.275 6.302 -0.892) 6.371 12.777 ( 1.735 2.776 1.237) 3.500 12.930 ( -4.498 2.216 -7.733) 9.216 12.958 ( -0.406 1.167 -3.963) 4.151 13.227 ( 1.725 4.417 5.239) 7.066 13.401 ( 4.503 -4.402 0.348) 6.307 13.610 ( 4.150 -0.608 2.954) 5.130 13.654 ( 0.522 -0.334 2.362) 2.442 14.098 ( -1.930 -2.212 1.395) 3.251 14.184 ( -0.993 -2.952 -1.132) 3.314 14.686 ( -3.359 2.138 13.958) 14.515 14.873 ( -6.930 -4.906 9.862) 13.013 17.549 ( 1.436 -0.773 -3.614) 3.965 17.668 ( -2.653 6.540 -7.551) 10.335 17.738 ( 2.434 -6.979 5.805) 9.398 18.127 ( -3.995 -11.930 -5.823) 13.863 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.003 14.013 0.143) 14.332 1.501 ( -6.640 5.849 -4.481) 9.918 1.641 ( 3.307 1.494 0.426) 3.653 1.752 ( 0.630 -2.987 -4.751) 5.648 1.855 ( 4.016 3.596 3.252) 6.296 2.035 ( 2.763 0.942 -0.597) 2.980 2.186 ( 1.246 -3.101 -2.231) 4.018 2.241 ( -0.783 -2.034 -2.559) 3.361 2.436 ( -4.055 8.099 -3.534) 9.723 2.479 ( -2.043 2.935 -3.109) 4.738 2.848 ( 3.095 -13.552 3.602) 14.360 2.893 ( 4.375 -13.910 4.063) 15.137 4.374 ( 9.222 12.015 8.808) 17.521 4.706 ( 17.305 8.367 6.102) 20.167 4.950 ( 2.718 -0.578 1.604) 3.209 5.139 ( 1.478 1.210 5.704) 6.015 5.504 ( -1.656 13.521 -4.547) 14.361 5.696 ( -6.622 4.709 -0.641) 8.151 5.788 ( 4.022 -4.250 -8.465) 10.291 6.009 ( 6.341 -0.435 -9.119) 11.115 6.224 ( -12.991 -1.554 -7.157) 14.913 6.382 ( -19.766 -7.228 -8.041) 22.530 6.641 ( -16.117 5.418 -17.161) 24.158 6.798 ( -22.082 -0.440 -23.640) 32.351 7.290 ( -5.748 15.000 -0.533) 16.073 7.487 ( -8.369 17.504 2.020) 19.507 7.660 ( 9.196 21.510 -1.344) 23.432 7.730 ( 3.456 0.841 0.314) 3.570 8.012 ( -2.469 1.471 -6.535) 7.139 8.247 ( -5.153 9.362 -4.198) 11.481 8.698 ( 11.237 -8.142 4.107) 14.472 9.126 ( -1.959 -9.968 -7.541) 12.652 9.219 ( 16.328 6.588 14.686) 22.928 9.720 ( 4.055 -11.915 2.169) 12.772 9.798 ( 5.222 -7.557 4.018) 10.026 9.882 ( 6.144 -9.746 1.275) 11.592 10.202 ( 3.952 -1.423 6.091) 7.399 10.289 ( 3.353 -4.708 0.624) 5.814 10.371 ( 11.396 -0.088 -2.221) 11.611 10.598 ( 9.930 -1.159 -1.537) 10.114 10.757 ( -8.207 4.952 -0.204) 9.587 10.856 ( -10.851 1.475 5.039) 12.054 11.061 ( -5.648 2.554 -6.766) 9.176 11.316 ( -8.348 -8.384 -4.040) 12.502 12.672 ( 0.658 7.309 -3.919) 8.320 12.796 ( -0.076 3.343 -1.564) 3.691 12.839 ( -4.267 3.170 -7.917) 9.536 12.901 ( -4.612 0.547 -4.489) 6.459 13.306 ( 6.011 5.001 5.340) 9.469 13.487 ( 3.782 -1.477 -0.614) 4.106 13.659 ( 0.448 -1.845 2.428) 3.082 13.686 ( 3.271 -1.928 2.180) 4.378 14.054 ( -2.011 2.637 1.040) 3.476 14.164 ( -1.603 2.477 -0.861) 3.073 14.624 ( -2.699 -6.806 11.623) 13.737 14.748 ( -5.988 -8.755 9.256) 14.078 17.562 ( 0.094 1.673 -5.491) 5.741 17.620 ( -2.272 5.914 -8.074) 10.262 17.794 ( 3.403 -7.941 2.984) 9.141 18.042 ( -4.763 -11.080 -4.991) 13.052 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.140 16.228 -0.654) 16.242 1.386 ( -4.655 12.886 -2.842) 13.993 1.699 ( 2.646 -1.531 -1.354) 3.343 1.739 ( -1.556 -3.257 -3.115) 4.768 1.981 ( 7.452 4.192 0.757) 8.584 2.071 ( -0.554 3.288 -1.112) 3.515 2.203 ( 0.137 -2.032 -1.290) 2.411 2.213 ( -1.713 -0.682 -1.147) 2.171 2.379 ( -0.431 6.847 0.239) 6.864 2.420 ( -3.551 3.543 -1.900) 5.364 2.901 ( 2.448 -16.104 6.750) 17.632 2.931 ( -0.275 -17.223 7.429) 18.759 4.604 ( 14.700 10.095 5.669) 18.712 4.861 ( -8.347 7.873 5.102) 12.557 5.113 ( 15.926 -2.032 3.814) 16.502 5.194 ( 4.965 -1.327 5.503) 7.530 5.421 ( -3.013 16.905 -2.924) 17.419 5.591 ( -11.579 2.248 -8.985) 14.828 5.834 ( 1.577 -2.631 -7.038) 7.678 5.980 ( -7.255 -1.950 -14.036) 15.919 6.076 ( -1.602 -2.474 -14.248) 14.550 6.222 ( 9.415 -6.198 -8.448) 14.087 6.303 ( -17.070 2.166 -18.086) 24.964 6.452 ( -14.313 -2.386 -14.252) 20.339 7.283 ( 3.366 20.735 0.122) 21.007 7.368 ( -5.047 20.839 2.035) 21.538 7.804 ( 4.684 10.687 -3.103) 12.074 7.847 ( 6.391 26.319 -4.710) 27.490 7.953 ( -0.182 -6.168 -7.946) 10.060 8.105 ( -9.636 8.609 -6.941) 14.668 8.904 ( 9.768 -7.325 4.145) 12.893 9.053 ( -5.817 -8.075 -0.958) 9.998 9.509 ( 13.216 2.387 12.922) 18.637 9.694 ( -5.938 -0.794 6.798) 9.061 9.899 ( 4.334 -17.682 3.233) 18.490 9.940 ( 0.177 -15.924 1.392) 15.986 10.316 ( 6.390 1.720 5.555) 8.640 10.345 ( 3.355 0.336 3.541) 4.889 10.504 ( -2.922 4.338 5.340) 7.474 10.560 ( -6.254 0.094 5.512) 8.336 10.700 ( 4.267 3.874 -3.858) 6.935 10.823 ( -0.412 -2.572 -2.065) 3.324 10.992 ( 3.218 -4.602 -7.997) 9.771 11.153 ( -9.296 -8.838 -4.831) 13.707 12.697 ( 2.114 6.222 -6.362) 9.146 12.752 ( -3.399 4.244 -8.362) 9.975 12.805 ( -0.176 2.575 -2.486) 3.583 12.824 ( -2.648 1.321 -2.983) 4.202 13.427 ( 5.944 4.769 3.289) 8.300 13.509 ( -2.005 3.505 0.898) 4.137 13.685 ( 2.328 -4.723 1.199) 5.401 13.718 ( -0.300 -3.810 1.089) 3.974 14.049 ( 1.896 7.814 1.153) 8.123 14.112 ( -3.759 8.192 0.455) 9.025 14.603 ( 0.769 -13.795 9.669) 16.864 14.651 ( -4.025 -13.140 8.809) 16.324 17.564 ( 0.472 4.041 -7.010) 8.105 17.583 ( -1.502 4.895 -7.898) 9.413 17.866 ( 4.143 -8.918 -0.395) 9.841 17.951 ( -4.707 -10.021 -3.228) 11.532 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 -3.861 5.134) 6.424 1.449 ( 0.000 3.861 5.134) 6.424 1.713 ( 0.000 -1.625 -6.889) 7.079 1.713 ( 0.000 1.625 -6.889) 7.079 2.088 ( 0.000 -5.096 4.315) 6.678 2.088 ( 0.000 5.096 4.315) 6.678 2.123 ( 0.000 -1.421 -0.895) 1.679 2.123 ( 0.000 1.421 -0.895) 1.679 2.477 ( 0.000 -4.040 -6.245) 7.438 2.477 ( 0.000 4.040 -6.245) 7.438 2.512 ( 0.000 -5.304 -16.744) 17.564 2.512 ( 0.000 5.304 -16.744) 17.564 4.370 ( 0.000 -1.418 -3.389) 3.674 4.370 ( 0.000 1.418 -3.389) 3.674 5.134 ( 0.000 -0.867 3.460) 3.567 5.134 ( 0.000 0.867 3.460) 3.567 5.529 ( 0.000 -6.360 -0.412) 6.373 5.529 ( 0.000 6.360 -0.412) 6.373 6.018 ( 0.000 -2.475 16.082) 16.271 6.018 ( 0.000 2.475 16.082) 16.271 6.893 ( 0.000 -3.884 -0.785) 3.963 6.893 ( 0.000 3.884 -0.785) 3.963 7.128 ( 0.000 -6.851 -0.190) 6.854 7.128 ( 0.000 6.851 -0.190) 6.854 7.619 ( 0.000 -4.551 -0.390) 4.568 7.619 ( 0.000 4.551 -0.390) 4.568 8.038 ( 0.000 -6.682 2.721) 7.215 8.038 ( 0.000 6.682 2.721) 7.215 8.467 ( 0.000 -14.147 -0.508) 14.156 8.467 ( 0.000 14.147 -0.508) 14.156 8.778 ( 0.000 -21.666 5.721) 22.408 8.778 ( 0.000 21.666 5.721) 22.408 8.877 ( 0.000 -3.866 -20.680) 21.038 8.877 ( 0.000 3.866 -20.680) 21.038 9.254 ( 0.000 -3.389 -12.544) 12.994 9.254 ( 0.000 3.389 -12.544) 12.994 9.872 ( 0.000 -4.063 0.615) 4.109 9.872 ( 0.000 4.063 0.615) 4.109 10.171 ( 0.000 -1.775 -9.225) 9.394 10.171 ( 0.000 1.775 -9.225) 9.394 11.248 ( 0.000 -13.151 0.248) 13.153 11.248 ( 0.000 13.151 0.248) 13.153 11.606 ( 0.000 -8.980 1.980) 9.196 11.606 ( 0.000 8.980 1.980) 9.196 12.691 ( 0.000 -2.256 2.722) 3.536 12.691 ( 0.000 2.256 2.722) 3.536 12.973 ( 0.000 -5.026 -2.789) 5.748 12.973 ( 0.000 5.026 -2.789) 5.748 13.260 ( 0.000 -1.772 2.059) 2.716 13.260 ( 0.000 1.772 2.059) 2.716 13.592 ( 0.000 -4.023 4.795) 6.259 13.592 ( 0.000 4.023 4.795) 6.259 14.110 ( 0.000 -2.528 -0.942) 2.698 14.110 ( 0.000 2.528 -0.942) 2.698 14.939 ( 0.000 -7.114 14.293) 15.966 14.939 ( 0.000 7.114 14.293) 15.966 17.537 ( 0.000 -5.335 2.983) 6.112 17.537 ( 0.000 5.335 2.983) 6.112 17.945 ( 0.000 -12.013 -6.887) 13.848 17.945 ( 0.000 12.013 -6.887) 13.848 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 3.274 -4.382 4.059) 6.811 1.485 ( 3.274 4.382 4.059) 6.811 1.698 ( -1.184 -2.685 -5.986) 6.667 1.698 ( -1.184 2.685 -5.986) 6.667 2.018 ( -5.208 -6.355 1.417) 8.337 2.018 ( -5.208 6.355 1.417) 8.337 2.151 ( 1.621 -4.121 -0.411) 4.448 2.151 ( 1.621 4.121 -0.411) 4.448 2.507 ( 3.026 -6.619 -7.454) 10.418 2.507 ( 3.026 6.619 -7.454) 10.418 2.561 ( 3.953 -6.573 -11.190) 13.566 2.561 ( 3.953 6.573 -11.190) 13.566 4.387 ( 2.065 -4.202 -1.115) 4.812 4.387 ( 2.065 4.202 -1.115) 4.812 5.110 ( -2.261 -4.210 6.819) 8.327 5.110 ( -2.261 4.210 6.819) 8.327 5.554 ( 2.275 -4.781 -3.476) 6.334 5.554 ( 2.275 4.781 -3.476) 6.334 5.981 ( -2.842 -5.822 11.118) 12.867 5.981 ( -2.842 5.822 11.118) 12.867 6.828 ( -8.536 -6.475 -6.273) 12.416 6.828 ( -8.536 6.475 -6.273) 12.416 7.122 ( -0.088 -10.751 0.560) 10.766 7.122 ( -0.088 10.751 0.560) 10.766 7.658 ( 3.341 -6.947 1.859) 7.929 7.658 ( 3.341 6.947 1.859) 7.929 7.961 ( -6.715 -8.528 1.394) 10.944 7.961 ( -6.715 8.528 1.394) 10.944 8.322 ( -14.733 -10.657 -4.118) 18.644 8.322 ( -14.733 10.657 -4.118) 18.644 8.717 ( -2.463 -10.741 -15.107) 18.699 8.717 ( -2.463 10.741 -15.107) 18.699 8.952 ( 11.038 -14.817 7.578) 19.970 8.952 ( 11.038 14.817 7.578) 19.970 9.464 ( 14.034 -1.274 -11.157) 17.974 9.464 ( 14.034 1.274 -11.157) 17.974 9.931 ( 5.874 -4.184 0.357) 7.221 9.931 ( 5.874 4.184 0.357) 7.221 10.196 ( 2.655 -1.208 -7.658) 8.195 10.196 ( 2.655 1.208 -7.658) 8.195 11.219 ( -2.993 -10.875 0.742) 11.303 11.219 ( -2.993 10.875 0.742) 11.303 11.499 ( -10.261 -9.953 0.999) 14.330 11.499 ( -10.261 9.953 0.999) 14.330 12.723 ( 2.737 -2.472 1.484) 3.975 12.723 ( 2.737 2.472 1.484) 3.975 12.986 ( 0.773 -3.342 -4.417) 5.592 12.986 ( 0.773 3.342 -4.417) 5.592 13.263 ( 0.704 -1.860 2.796) 3.431 13.263 ( 0.704 1.860 2.796) 3.431 13.602 ( 1.018 -3.542 4.696) 5.970 13.602 ( 1.018 3.542 4.696) 5.970 14.105 ( -0.377 -2.507 -0.614) 2.608 14.105 ( -0.377 2.507 -0.614) 2.608 14.893 ( -4.717 -6.322 13.555) 15.683 14.893 ( -4.717 6.322 13.555) 15.683 17.554 ( 1.661 -5.071 2.397) 5.849 17.554 ( 1.661 5.071 2.397) 5.849 17.925 ( -2.009 -11.923 -6.833) 13.888 17.925 ( -2.009 11.923 -6.833) 13.888 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 2.403 -4.215 1.266) 5.015 1.545 ( 2.403 4.215 1.266) 5.015 1.683 ( -0.421 -3.582 -3.827) 5.259 1.683 ( -0.421 3.582 -3.827) 5.259 1.936 ( -2.246 -5.539 1.071) 6.072 1.936 ( -2.246 5.539 1.071) 6.072 2.178 ( 1.134 -3.097 -1.970) 3.842 2.178 ( 1.134 3.097 -1.970) 3.842 2.569 ( 2.832 -6.170 -4.259) 8.014 2.569 ( 2.832 6.170 -4.259) 8.014 2.626 ( 2.240 -6.220 -6.004) 8.930 2.626 ( 2.240 6.220 -6.004) 8.930 4.462 ( 6.063 -6.282 3.035) 9.243 4.462 ( 6.063 6.282 3.035) 9.243 5.069 ( -1.237 -6.490 9.181) 11.311 5.069 ( -1.237 6.490 9.181) 11.311 5.610 ( 3.904 -4.919 -8.650) 10.689 5.610 ( 3.904 4.919 -8.650) 10.689 5.933 ( -2.592 -4.028 5.647) 7.406 5.933 ( -2.592 4.028 5.647) 7.406 6.583 ( -16.256 -8.555 -9.010) 20.460 6.583 ( -16.256 8.555 -9.010) 20.460 7.056 ( -9.157 -9.557 -12.278) 18.054 7.056 ( -9.157 9.557 -12.278) 18.054 7.652 ( -6.433 -4.784 -3.637) 8.803 7.652 ( -6.433 4.784 -3.637) 8.803 7.830 ( -5.250 -7.455 1.046) 9.178 7.830 ( -5.250 7.455 1.046) 9.178 8.155 ( 3.111 -15.780 5.987) 17.162 8.155 ( 3.111 15.780 5.987) 17.162 8.734 ( 1.532 -20.956 -10.576) 23.523 8.734 ( 1.532 20.956 -10.576) 23.523 9.180 ( 12.054 -15.285 8.611) 21.286 9.180 ( 12.054 15.285 8.611) 21.286 9.684 ( 8.570 -1.659 -5.956) 10.567 9.684 ( 8.570 1.659 -5.956) 10.567 10.070 ( 7.837 -0.735 1.472) 8.008 10.070 ( 7.837 0.735 1.472) 8.008 10.279 ( 6.582 -3.589 -4.893) 8.952 10.279 ( 6.582 3.589 -4.893) 8.952 11.123 ( -8.465 -5.899 1.640) 10.448 11.123 ( -8.465 5.899 1.640) 10.448 11.277 ( -10.567 -11.347 -0.953) 15.535 11.277 ( -10.567 11.347 -0.953) 15.535 12.772 ( 2.061 -3.056 -1.421) 3.951 12.772 ( 2.061 3.056 -1.421) 3.951 12.970 ( -2.861 -1.342 -6.872) 7.564 12.970 ( -2.861 1.342 -6.872) 7.564 13.309 ( 4.336 -3.844 3.375) 6.706 13.309 ( 4.336 3.844 3.375) 6.706 13.629 ( 1.639 -1.860 4.152) 4.836 13.629 ( 1.639 1.860 4.152) 4.836 14.104 ( 0.532 -3.007 0.442) 3.085 14.104 ( 0.532 3.007 0.442) 3.085 14.769 ( -8.095 -4.930 11.611) 14.988 14.769 ( -8.095 4.930 11.611) 14.988 17.592 ( 2.254 -4.959 0.778) 5.503 17.592 ( 2.254 4.959 0.778) 5.503 17.873 ( -3.259 -11.533 -6.643) 13.703 17.873 ( -3.259 11.533 -6.643) 13.703 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 1.287 -1.768 -0.444) 2.232 1.577 ( 1.287 1.768 -0.444) 2.232 1.661 ( -1.933 -3.584 -2.049) 4.558 1.661 ( -1.933 3.584 -2.049) 4.558 1.960 ( 4.431 -5.835 1.145) 7.416 1.960 ( 4.431 5.835 1.145) 7.416 2.191 ( 0.072 -2.361 -2.831) 3.687 2.191 ( 0.072 2.361 -2.831) 3.687 2.601 ( 0.492 -6.730 -0.069) 6.748 2.601 ( 0.492 6.730 -0.069) 6.748 2.635 ( -1.103 -8.513 -0.639) 8.608 2.635 ( -1.103 8.513 -0.639) 8.608 4.620 ( 10.558 -10.649 4.166) 15.563 4.620 ( 10.558 10.649 4.166) 15.563 5.080 ( 1.950 -7.502 6.952) 10.413 5.080 ( 1.950 7.502 6.952) 10.413 5.703 ( 4.425 -4.748 -7.950) 10.263 5.703 ( 4.425 4.748 -7.950) 10.263 5.876 ( -2.064 -11.934 -0.113) 12.112 5.876 ( -2.064 11.934 -0.113) 12.112 6.240 ( -18.310 -4.892 -11.505) 22.171 6.240 ( -18.310 4.892 -11.505) 22.171 6.755 ( -20.225 -3.976 -20.359) 28.971 6.755 ( -20.225 3.976 -20.359) 28.971 7.568 ( 0.526 -10.859 -6.779) 12.812 7.568 ( 0.526 10.859 -6.779) 12.812 7.780 ( -1.600 -10.103 3.597) 10.843 7.780 ( -1.600 10.103 3.597) 10.843 8.328 ( 11.208 -22.606 7.683) 26.375 8.328 ( 11.208 22.606 7.683) 26.375 8.728 ( -2.335 -24.274 -8.049) 25.680 8.728 ( -2.335 24.274 -8.049) 25.680 9.400 ( 10.988 -11.913 8.298) 18.208 9.400 ( 10.988 11.913 8.298) 18.208 9.775 ( 0.910 -1.610 0.345) 1.882 9.775 ( 0.910 1.610 0.345) 1.882 10.210 ( 7.075 -2.436 3.901) 8.438 10.210 ( 7.075 2.436 3.901) 8.438 10.460 ( 11.724 -7.611 -4.294) 14.623 10.460 ( 11.724 7.611 -4.294) 14.623 10.882 ( -14.320 -2.409 3.041) 14.836 10.882 ( -14.320 2.409 3.041) 14.836 11.137 ( -6.223 -6.732 -3.345) 9.759 11.137 ( -6.223 6.732 -3.345) 9.759 12.794 ( 0.302 -3.413 -3.950) 5.229 12.794 ( 0.302 3.413 -3.950) 5.229 12.893 ( -4.439 -1.902 -7.262) 8.721 12.893 ( -4.439 1.902 -7.262) 8.721 13.417 ( 6.538 -4.912 2.409) 8.526 13.417 ( 6.538 4.912 2.409) 8.526 13.653 ( 0.413 -1.069 2.973) 3.186 13.653 ( 0.413 1.069 2.973) 3.186 14.138 ( 3.353 -4.644 2.204) 6.138 14.138 ( 3.353 4.644 2.204) 6.138 14.595 ( -9.874 -4.546 9.128) 14.194 14.595 ( -9.874 4.546 9.128) 14.194 17.636 ( 2.355 -5.806 -1.458) 6.433 17.636 ( 2.355 5.806 -1.458) 6.433 17.807 ( -3.581 -10.609 -6.202) 12.800 17.807 ( -3.581 10.609 -6.202) 12.800 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.159 -1.400 -0.547) 1.898 1.599 ( 1.159 1.400 -0.547) 1.898 1.625 ( -1.643 -3.174 -0.910) 3.688 1.625 ( -1.643 3.174 -0.910) 3.688 2.071 ( 6.235 -4.162 -0.770) 7.536 2.071 ( 6.235 4.162 -0.770) 7.536 2.166 ( -3.174 -2.174 -2.782) 4.747 2.166 ( -3.174 2.174 -2.782) 4.747 2.597 ( -0.395 -11.737 3.225) 12.179 2.597 ( -0.395 11.737 3.225) 12.179 2.605 ( -1.357 -12.829 3.694) 13.419 2.605 ( -1.357 12.828 3.694) 13.419 4.860 ( 13.965 -13.744 2.676) 19.776 4.860 ( 13.965 13.744 2.676) 19.776 5.072 ( -5.582 -10.967 5.004) 13.284 5.072 ( -5.582 10.967 5.004) 13.284 5.713 ( 0.488 -2.889 -3.430) 4.511 5.713 ( 0.488 2.889 -3.430) 4.511 5.825 ( -9.145 -10.427 -6.154) 15.173 5.825 ( -9.145 10.427 -6.154) 15.173 6.091 ( 8.980 -4.406 -15.915) 18.797 6.091 ( 8.980 4.406 -15.915) 18.797 6.377 ( -18.407 -4.278 -17.675) 25.875 6.377 ( -18.407 4.278 -17.675) 25.875 7.640 ( 5.460 -12.791 -5.129) 14.823 7.640 ( 5.460 12.791 -5.129) 14.823 7.733 ( -3.786 -13.238 -0.197) 13.770 7.733 ( -3.786 13.238 -0.197) 13.770 8.519 ( 8.490 -27.979 2.316) 29.331 8.519 ( 8.490 27.979 2.316) 29.331 8.651 ( -5.522 -27.788 -3.956) 28.606 8.651 ( -5.522 27.788 -3.956) 28.606 9.593 ( 9.049 -6.765 7.826) 13.743 9.593 ( 9.049 6.765 7.826) 13.743 9.731 ( -5.112 -2.927 5.446) 8.022 9.731 ( -5.112 2.927 5.446) 8.022 10.358 ( 8.965 -0.975 5.106) 10.363 10.358 ( 8.965 0.975 5.106) 10.363 10.549 ( -9.151 -2.872 3.130) 10.089 10.549 ( -9.151 2.872 3.130) 10.089 10.776 ( 9.714 -2.322 -3.642) 10.631 10.776 ( 9.714 2.322 -3.642) 10.631 10.987 ( -9.920 -5.047 -4.821) 12.129 10.987 ( -9.920 5.047 -4.821) 12.129 12.797 ( 0.415 -2.264 -5.562) 6.019 12.797 ( 0.415 2.264 -5.562) 6.019 12.823 ( -2.592 -1.378 -6.581) 7.206 12.823 ( -2.592 1.378 -6.581) 7.206 13.540 ( 5.968 -4.569 1.764) 7.720 13.540 ( 5.968 4.569 1.764) 7.720 13.629 ( -3.088 -3.362 1.943) 4.961 13.629 ( -3.088 3.362 1.943) 4.961 14.239 ( 7.291 -5.805 4.355) 10.287 14.239 ( 7.291 5.805 4.355) 10.287 14.405 ( -9.745 -5.318 6.655) 12.943 14.405 ( -9.745 5.318 6.655) 12.943 17.684 ( 2.722 -7.383 -3.661) 8.679 17.684 ( 2.722 7.383 -3.661) 8.679 17.741 ( -3.271 -9.127 -5.279) 11.039 17.741 ( -3.271 9.127 -5.279) 11.039 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.450 ( 0.000 0.000 6.077) 6.077 1.637 ( 0.000 0.000 -11.541) 11.541 1.747 ( 0.000 0.000 14.213) 14.213 1.750 ( 0.000 0.000 10.725) 10.725 1.947 ( 0.000 0.000 -0.268) 0.268 1.966 ( 0.000 0.000 -11.780) 11.780 1.981 ( 0.000 0.000 -3.565) 3.565 2.027 ( 0.000 0.000 -13.931) 13.931 2.446 ( 0.000 0.000 0.790) 0.790 2.476 ( 0.000 0.000 -1.495) 1.495 2.951 ( 0.000 0.000 8.406) 8.406 3.109 ( 0.000 0.000 -5.722) 5.722 3.736 ( 0.000 0.000 2.338) 2.338 3.776 ( 0.000 0.000 34.997) 34.997 4.019 ( 0.000 0.000 -24.118) 24.118 4.451 ( 0.000 0.000 -31.653) 31.653 5.400 ( 0.000 0.000 29.248) 29.248 5.985 ( 0.000 0.000 -28.467) 28.467 6.209 ( 0.000 0.000 8.815) 8.815 6.247 ( 0.000 0.000 1.522) 1.522 6.410 ( 0.000 0.000 12.468) 12.468 6.544 ( 0.000 0.000 -1.324) 1.324 6.957 ( 0.000 0.000 24.276) 24.276 7.016 ( 0.000 0.000 -1.884) 1.884 7.055 ( 0.000 0.000 -2.939) 2.939 7.619 ( 0.000 0.000 -30.732) 30.732 7.877 ( 0.000 0.000 13.807) 13.807 8.144 ( 0.000 0.000 24.616) 24.616 8.245 ( 0.000 0.000 -21.894) 21.894 8.271 ( 0.000 0.000 2.217) 2.217 8.384 ( 0.000 0.000 -5.126) 5.126 8.612 ( 0.000 0.000 -21.640) 21.640 9.035 ( 0.000 0.000 0.837) 0.837 9.136 ( 0.000 0.000 -9.486) 9.486 9.831 ( 0.000 0.000 8.235) 8.235 9.939 ( 0.000 0.000 -2.059) 2.059 10.211 ( 0.000 0.000 -1.338) 1.338 10.230 ( 0.000 0.000 -3.338) 3.338 10.265 ( 0.000 0.000 5.096) 5.096 10.366 ( 0.000 0.000 -4.383) 4.383 10.549 ( 0.000 0.000 21.917) 21.917 10.967 ( 0.000 0.000 -19.118) 19.118 11.220 ( 0.000 0.000 11.839) 11.839 11.476 ( 0.000 0.000 -12.875) 12.875 12.721 ( 0.000 0.000 6.637) 6.637 12.835 ( 0.000 0.000 -4.074) 4.074 12.856 ( 0.000 0.000 0.308) 0.308 12.860 ( 0.000 0.000 -0.210) 0.210 13.191 ( 0.000 0.000 6.446) 6.446 13.325 ( 0.000 0.000 -5.952) 5.952 13.506 ( 0.000 0.000 -0.623) 0.623 13.513 ( 0.000 0.000 -1.512) 1.512 14.345 ( 0.000 0.000 4.872) 4.872 14.424 ( 0.000 0.000 -2.920) 2.920 14.881 ( 0.000 0.000 15.933) 15.933 15.099 ( 0.000 0.000 -5.491) 5.491 17.531 ( 0.000 0.000 -2.081) 2.081 17.533 ( 0.000 0.000 -2.221) 2.221 18.156 ( 0.000 0.000 12.572) 12.572 18.376 ( 0.000 0.000 -9.128) 9.128 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -7.376 0.000 5.761) 9.359 1.572 ( -7.138 0.000 -12.327) 14.245 1.725 ( -1.482 0.000 14.704) 14.779 1.761 ( 1.348 0.000 10.334) 10.422 1.919 ( -1.984 0.000 -3.020) 3.613 1.960 ( -0.350 0.000 -10.098) 10.104 1.965 ( -1.567 0.000 -2.829) 3.234 2.081 ( 4.224 0.000 -12.195) 12.906 2.430 ( -1.993 0.000 1.225) 2.339 2.458 ( -1.976 0.000 -1.249) 2.338 3.021 ( 7.593 0.000 7.035) 10.351 3.140 ( 3.634 0.000 -4.086) 5.468 3.851 ( 7.599 0.000 32.779) 33.649 3.887 ( 14.580 0.000 4.316) 15.205 4.192 ( 16.678 0.000 -24.109) 29.316 4.490 ( 3.837 0.000 -30.083) 30.327 5.408 ( 0.764 0.000 28.127) 28.137 5.966 ( -2.141 0.000 -26.669) 26.755 5.973 ( -18.123 0.000 10.564) 20.977 6.080 ( -13.873 0.000 -1.020) 13.910 6.365 ( -4.367 0.000 13.262) 13.963 6.524 ( -2.089 0.000 -2.418) 3.196 6.847 ( -9.132 0.000 11.413) 14.616 7.127 ( -1.069 0.000 -12.992) 13.036 7.258 ( 17.376 0.000 9.544) 19.825 7.476 ( -24.483 0.000 10.028) 26.457 7.597 ( 1.568 0.000 -21.522) 21.579 7.773 ( -32.305 0.000 -19.373) 37.668 8.221 ( -6.935 0.000 5.681) 8.965 8.322 ( -6.303 0.000 -1.590) 6.500 8.569 ( 27.003 0.000 23.376) 35.716 8.875 ( -13.034 0.000 -0.023) 13.035 9.015 ( 25.077 0.000 -20.345) 32.292 9.018 ( -5.176 0.000 -13.001) 13.994 9.999 ( 11.351 0.000 7.019) 13.346 10.079 ( 12.185 0.000 -1.023) 12.228 10.275 ( 6.100 0.000 -0.644) 6.134 10.279 ( 1.485 0.000 6.389) 6.559 10.312 ( 7.509 0.000 -3.351) 8.222 10.386 ( 1.855 0.000 -4.761) 5.109 10.528 ( -1.794 0.000 19.948) 20.028 10.923 ( -4.426 0.000 -18.350) 18.876 11.133 ( -7.292 0.000 12.065) 14.097 11.400 ( -6.449 0.000 -13.659) 15.105 12.673 ( -4.712 0.000 6.057) 7.675 12.796 ( -4.068 0.000 -5.667) 6.975 12.812 ( -2.175 0.000 5.054) 5.502 12.910 ( 1.829 0.000 -4.545) 4.899 13.205 ( 1.727 0.000 7.524) 7.719 13.350 ( 2.292 0.000 -6.199) 6.609 13.545 ( 3.965 0.000 -0.118) 3.967 13.558 ( 4.266 0.000 -1.330) 4.468 14.320 ( -2.987 0.000 3.454) 4.567 14.370 ( -5.934 0.000 -1.129) 6.041 14.893 ( 1.637 0.000 13.715) 13.812 15.081 ( -1.277 0.000 -4.297) 4.482 17.509 ( -2.240 0.000 -1.500) 2.696 17.531 ( -0.500 0.000 -3.525) 3.560 18.151 ( -0.565 0.000 11.671) 11.685 18.355 ( -2.125 0.000 -8.562) 8.821 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -14.367 0.000 5.153) 15.263 1.361 ( -14.849 0.000 -12.895) 19.666 1.713 ( 0.425 0.000 13.241) 13.247 1.805 ( 3.177 0.000 8.523) 9.096 1.876 ( -2.472 0.000 -5.244) 5.798 1.947 ( 0.185 0.000 2.083) 2.092 1.962 ( 0.543 0.000 -7.115) 7.136 2.149 ( 2.483 0.000 -13.217) 13.448 2.368 ( -4.129 0.000 1.165) 4.290 2.401 ( -3.810 0.000 -1.877) 4.247 3.230 ( 13.509 0.000 3.678) 14.001 3.255 ( 8.200 0.000 1.016) 8.262 4.048 ( 12.485 0.000 27.066) 29.807 4.227 ( 19.576 0.000 10.371) 22.153 4.580 ( 22.318 0.000 -22.598) 31.761 4.583 ( 5.369 0.000 -25.263) 25.827 5.429 ( 1.640 0.000 24.409) 24.464 5.647 ( -14.911 0.000 10.095) 18.007 5.826 ( -12.553 0.000 -3.059) 12.920 5.898 ( -4.791 0.000 -19.502) 20.082 6.264 ( -5.842 0.000 10.831) 12.306 6.467 ( -3.875 0.000 -5.902) 7.060 6.659 ( -9.681 0.000 -0.649) 9.702 6.871 ( -20.924 0.000 -19.613) 28.679 7.054 ( -19.716 0.000 0.432) 19.721 7.162 ( -30.401 0.000 -12.349) 32.814 7.525 ( 6.294 0.000 8.978) 10.964 7.665 ( -0.090 0.000 -3.971) 3.972 7.976 ( -12.034 0.000 11.438) 16.602 8.214 ( -6.317 0.000 -9.139) 11.110 8.744 ( 1.434 0.000 4.866) 5.073 8.982 ( 0.192 0.000 -16.034) 16.035 9.054 ( 23.297 0.000 21.263) 31.541 9.430 ( 17.890 0.000 -15.706) 23.807 10.185 ( 7.566 0.000 7.059) 10.348 10.287 ( 7.583 0.000 -2.526) 7.992 10.318 ( 2.364 0.000 9.649) 9.934 10.400 ( 5.702 0.000 1.497) 5.895 10.426 ( 2.174 0.000 -3.080) 3.770 10.450 ( 7.312 0.000 -2.536) 7.739 10.505 ( 0.045 0.000 11.976) 11.976 10.817 ( -6.121 0.000 -15.981) 17.113 11.044 ( -0.382 0.000 11.111) 11.117 11.302 ( -2.820 0.000 -13.719) 14.006 12.561 ( -6.456 0.000 4.624) 7.940 12.689 ( -6.849 0.000 -7.822) 10.397 12.770 ( -2.025 0.000 7.538) 7.805 12.910 ( -1.771 0.000 -5.933) 6.191 13.258 ( 3.667 0.000 7.876) 8.688 13.398 ( 2.407 0.000 -5.760) 6.242 13.641 ( 5.634 0.000 0.471) 5.654 13.656 ( 5.522 0.000 -0.890) 5.593 14.196 ( -11.289 0.000 1.945) 11.455 14.219 ( -8.091 0.000 -0.441) 8.103 14.952 ( 4.420 0.000 9.970) 10.906 15.078 ( 1.317 0.000 -1.735) 2.178 17.449 ( -3.851 0.000 -0.676) 3.910 17.503 ( -2.573 0.000 -5.821) 6.364 18.137 ( -0.759 0.000 9.191) 9.222 18.300 ( -3.512 0.000 -6.970) 7.805 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -17.124 0.000 3.185) 17.418 1.029 ( -19.213 0.000 -12.577) 22.964 1.738 ( 1.913 0.000 7.998) 8.223 1.839 ( -1.230 0.000 -4.257) 4.431 1.872 ( 3.548 0.000 5.836) 6.830 1.972 ( 0.305 0.000 -4.005) 4.017 1.974 ( 2.543 0.000 5.385) 5.956 2.163 ( -1.254 0.000 -8.319) 8.413 2.295 ( -2.930 0.000 -1.176) 3.157 2.334 ( -2.739 0.000 -5.351) 6.011 3.433 ( 10.064 0.000 6.249) 11.846 3.498 ( 13.467 0.000 0.670) 13.484 4.300 ( 13.281 0.000 18.680) 22.920 4.574 ( 15.203 0.000 20.589) 25.593 4.665 ( 2.448 0.000 -16.627) 16.806 4.982 ( 18.435 0.000 -12.618) 22.340 5.430 ( -7.872 0.000 -6.503) 10.210 5.485 ( 4.867 0.000 17.971) 18.618 5.568 ( -14.530 0.000 -9.071) 17.129 5.823 ( -1.761 0.000 -12.542) 12.665 6.142 ( -7.391 0.000 4.477) 8.641 6.338 ( -12.709 0.000 -12.898) 18.108 6.435 ( -15.167 0.000 -4.024) 15.692 6.543 ( -9.984 0.000 -10.579) 14.547 6.658 ( -16.553 0.000 1.877) 16.659 6.763 ( -12.984 0.000 -6.802) 14.657 7.408 ( -11.304 0.000 9.874) 15.009 7.581 ( -7.958 0.000 -1.846) 8.169 7.893 ( -0.113 0.000 5.043) 5.044 8.110 ( -4.636 0.000 -11.158) 12.083 8.861 ( 8.158 0.000 4.244) 9.196 9.009 ( 2.359 0.000 -9.700) 9.983 9.435 ( 16.331 0.000 15.777) 22.707 9.681 ( 8.283 0.000 -8.414) 11.807 10.249 ( 0.190 0.000 5.207) 5.210 10.332 ( -1.543 0.000 -2.466) 2.909 10.363 ( 2.680 0.000 11.133) 11.451 10.472 ( 2.383 0.000 -1.245) 2.688 10.530 ( 2.117 0.000 3.817) 4.365 10.535 ( 9.229 0.000 5.402) 10.694 10.631 ( 10.378 0.000 -3.890) 11.083 10.708 ( -5.061 0.000 -11.616) 12.671 11.086 ( 2.941 0.000 7.631) 8.178 11.276 ( -1.123 0.000 -10.703) 10.762 12.450 ( -4.692 0.000 1.956) 5.083 12.552 ( -7.066 0.000 -7.942) 10.630 12.749 ( 0.133 0.000 6.956) 6.957 12.864 ( -2.399 0.000 -3.920) 4.596 13.334 ( 3.965 0.000 5.811) 7.035 13.433 ( 1.089 0.000 -3.941) 4.089 13.742 ( 4.585 0.000 0.660) 4.632 13.752 ( 4.277 0.000 -0.352) 4.292 13.969 ( -11.197 0.000 2.394) 11.450 14.036 ( -10.453 0.000 -3.925) 11.165 15.047 ( 5.091 0.000 7.749) 9.272 15.122 ( 2.692 0.000 0.855) 2.824 17.376 ( -3.432 0.000 -1.171) 3.626 17.436 ( -4.181 0.000 -6.862) 8.036 18.126 ( -0.241 0.000 5.716) 5.721 18.230 ( -3.668 0.000 -4.581) 5.869 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -6.954 0.000 -3.174) 7.644 0.685 ( -14.437 0.000 -10.719) 17.981 1.779 ( 2.258 0.000 2.660) 3.489 1.817 ( -1.548 0.000 -1.769) 2.351 1.932 ( 2.599 0.000 2.731) 3.770 1.967 ( -1.021 0.000 -0.641) 1.206 2.037 ( 3.847 0.000 5.512) 6.722 2.111 ( -3.647 0.000 0.654) 3.705 2.272 ( 0.405 0.000 -5.855) 5.869 2.295 ( -1.648 0.000 -7.934) 8.103 3.617 ( 8.286 0.000 8.747) 12.048 3.679 ( 3.535 0.000 3.916) 5.275 4.524 ( 9.650 0.000 7.598) 12.282 4.654 ( -3.787 0.000 -4.827) 6.135 4.794 ( 11.086 0.000 18.830) 21.852 5.089 ( -16.852 0.000 9.225) 19.211 5.328 ( 9.568 0.000 -23.243) 25.135 5.462 ( -1.500 0.000 -21.156) 21.209 5.644 ( 12.446 0.000 10.038) 15.990 5.861 ( 5.712 0.000 -10.261) 11.743 5.943 ( -16.233 0.000 2.717) 16.459 6.025 ( -12.524 0.000 -8.666) 15.230 6.257 ( -1.317 0.000 2.359) 2.702 6.363 ( -9.540 0.000 -6.568) 11.583 6.532 ( -0.410 0.000 -0.694) 0.806 6.585 ( -5.910 0.000 -5.272) 7.920 7.297 ( 0.616 0.000 6.625) 6.653 7.403 ( -9.018 0.000 0.348) 9.024 7.921 ( 3.266 0.000 -4.543) 5.595 8.011 ( -5.594 0.000 -9.963) 11.426 8.995 ( 5.175 0.000 1.858) 5.498 9.043 ( 0.185 0.000 -2.780) 2.787 9.668 ( 8.190 0.000 8.172) 11.569 9.751 ( -0.539 0.000 0.045) 0.541 10.253 ( 0.907 0.000 2.783) 2.927 10.287 ( -2.442 0.000 -0.324) 2.464 10.430 ( 3.986 0.000 6.294) 7.450 10.487 ( -1.309 0.000 1.515) 2.002 10.576 ( 2.577 0.000 -0.344) 2.600 10.629 ( -3.237 0.000 -5.345) 6.249 10.706 ( 7.500 0.000 6.118) 9.679 10.769 ( 2.245 0.000 1.227) 2.559 11.140 ( 3.668 0.000 -0.502) 3.702 11.226 ( -4.278 0.000 -7.687) 8.797 12.399 ( -0.350 0.000 -1.942) 1.973 12.439 ( -4.352 0.000 -5.761) 7.220 12.776 ( 2.441 0.000 4.730) 5.323 12.824 ( -2.174 0.000 0.435) 2.217 13.400 ( 2.787 0.000 2.454) 3.713 13.435 ( -0.866 0.000 -1.045) 1.357 13.805 ( 1.853 0.000 0.543) 1.931 13.808 ( 1.460 0.000 0.173) 1.470 13.822 ( -3.190 0.000 -0.679) 3.261 13.861 ( -6.727 0.000 -4.243) 7.953 15.129 ( 3.135 0.000 5.976) 6.748 15.156 ( 0.394 0.000 3.534) 3.556 17.336 ( -0.441 0.000 -3.366) 3.395 17.362 ( -3.045 0.000 -5.854) 6.599 18.133 ( 1.048 0.000 1.949) 2.213 18.168 ( -2.633 0.000 -1.569) 3.065 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 -0.588 4.079) 4.121 1.594 ( 0.000 -3.201 -10.182) 10.674 1.718 ( 0.000 -2.804 9.788) 10.182 1.760 ( 0.000 0.907 9.069) 9.114 1.946 ( 0.000 -2.628 -6.200) 6.734 1.951 ( 0.000 2.349 2.127) 3.169 2.010 ( 0.000 2.741 -10.860) 11.201 2.054 ( 0.000 3.481 -8.134) 8.848 2.397 ( 0.000 -4.607 1.039) 4.723 2.434 ( 0.000 -4.061 -1.621) 4.373 2.799 ( 0.000 -11.954 7.194) 13.952 2.950 ( 0.000 -13.311 -5.983) 14.594 3.858 ( 0.000 10.648 -0.313) 10.653 3.923 ( 0.000 9.319 9.713) 13.461 4.265 ( 0.000 23.091 -3.539) 23.361 4.653 ( 0.000 15.860 -26.176) 30.606 5.481 ( 0.000 7.208 25.741) 26.732 5.882 ( 0.000 -8.162 -7.602) 11.154 6.245 ( 0.000 0.222 3.717) 3.724 6.315 ( 0.000 11.459 -5.205) 12.585 6.590 ( 0.000 10.965 9.238) 14.338 6.672 ( 0.000 9.665 -1.300) 9.752 6.915 ( 0.000 -3.082 22.285) 22.497 7.049 ( 0.000 4.390 -1.504) 4.641 7.084 ( 0.000 4.499 -0.960) 4.600 7.580 ( 0.000 -2.915 -28.897) 29.044 7.990 ( 0.000 9.231 10.780) 14.193 8.086 ( 0.000 -4.384 18.096) 18.620 8.298 ( 0.000 5.010 -10.335) 11.486 8.356 ( 0.000 5.916 -3.919) 7.096 8.369 ( 0.000 -1.635 -4.255) 4.559 8.593 ( 0.000 -1.669 -20.481) 20.549 8.952 ( 0.000 -6.836 2.843) 7.403 9.098 ( 0.000 -3.109 -11.199) 11.623 9.648 ( 0.000 -15.033 8.356) 17.200 9.761 ( 0.000 -15.748 -2.478) 15.941 10.076 ( 0.000 -8.950 2.867) 9.398 10.142 ( 0.000 -7.176 -3.931) 8.182 10.238 ( 0.000 -4.763 0.736) 4.820 10.289 ( 0.000 -7.403 -3.773) 8.309 10.717 ( 0.000 14.539 18.022) 23.156 11.068 ( 0.000 8.402 -16.325) 18.360 11.343 ( 0.000 9.234 10.195) 13.755 11.560 ( 0.000 6.038 -10.773) 12.350 12.726 ( 0.000 0.494 6.468) 6.487 12.808 ( 0.000 -1.577 -0.208) 1.591 12.851 ( 0.000 -0.493 0.059) 0.496 12.883 ( 0.000 1.444 -4.035) 4.286 13.227 ( 0.000 2.957 5.046) 5.849 13.327 ( 0.000 0.064 -4.459) 4.459 13.527 ( 0.000 2.160 1.057) 2.405 13.558 ( 0.000 3.844 -1.898) 4.287 14.281 ( 0.000 -5.659 4.088) 6.982 14.352 ( 0.000 -6.516 -2.768) 7.080 14.933 ( 0.000 4.679 14.338) 15.082 15.119 ( 0.000 1.696 -3.910) 4.262 17.509 ( 0.000 -1.644 -0.618) 1.757 17.537 ( 0.000 1.028 -3.412) 3.563 18.075 ( 0.000 -7.461 11.855) 14.007 18.288 ( 0.000 -8.180 -9.052) 12.201 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -4.980 1.164 3.880) 6.419 1.552 ( -4.858 -1.269 -11.129) 12.209 1.692 ( -1.378 -2.680 9.948) 10.395 1.757 ( -1.019 0.086 5.384) 5.480 1.911 ( -2.016 -0.314 0.382) 2.075 1.940 ( -0.312 1.491 1.061) 1.856 2.048 ( 2.353 2.670 -10.123) 10.730 2.092 ( 3.053 2.115 -9.554) 10.250 2.395 ( -0.757 -3.164 1.506) 3.585 2.429 ( -0.662 -2.672 -1.450) 3.111 2.867 ( 7.153 -11.895 5.920) 15.090 2.983 ( 3.660 -13.056 -4.441) 14.268 3.968 ( 10.479 8.039 4.286) 13.886 4.017 ( 9.778 9.762 10.328) 17.251 4.384 ( 11.766 19.297 -8.181) 24.036 4.699 ( 4.631 16.251 -24.696) 29.924 5.485 ( 0.225 6.654 25.525) 26.379 5.838 ( -5.655 -6.680 -0.231) 8.755 6.065 ( -13.227 1.859 1.899) 13.491 6.166 ( -12.539 10.644 -13.015) 20.974 6.480 ( -8.620 7.242 12.411) 16.757 6.632 ( -4.750 8.036 0.472) 9.347 6.841 ( -7.273 -0.317 9.021) 11.592 7.111 ( -3.862 -0.198 -13.049) 13.610 7.211 ( 7.876 1.733 7.514) 11.022 7.532 ( -4.105 -1.593 -21.213) 21.666 7.667 ( -14.007 12.123 8.374) 20.330 7.913 ( -21.299 9.547 -15.110) 27.805 8.172 ( -6.755 -4.182 6.029) 9.973 8.292 ( -5.503 -2.548 -2.307) 6.488 8.584 ( 17.774 -0.806 17.265) 24.792 8.839 ( -1.685 -0.566 3.517) 3.940 8.923 ( 3.853 -6.025 -15.191) 16.790 9.096 ( 14.567 3.899 -16.270) 22.184 9.816 ( 12.269 -14.986 6.125) 20.313 9.877 ( 9.888 -15.998 -0.044) 18.807 10.130 ( 4.940 -8.757 3.880) 10.777 10.213 ( 6.632 -7.212 -3.785) 10.504 10.274 ( 3.757 -5.126 -0.269) 6.361 10.306 ( 1.944 -6.659 -2.939) 7.534 10.725 ( 0.463 15.035 15.444) 21.559 11.034 ( -3.698 8.836 -14.594) 17.457 11.241 ( -8.847 8.231 10.473) 15.990 11.473 ( -7.559 5.260 -11.814) 14.979 12.687 ( -3.866 1.373 5.838) 7.135 12.790 ( -1.695 -0.107 -0.685) 1.832 12.841 ( -2.928 2.088 -1.148) 3.775 12.893 ( 1.866 -1.315 -3.243) 3.966 13.237 ( 1.238 2.657 5.950) 6.633 13.349 ( 2.143 -0.242 -4.760) 5.225 13.563 ( 3.510 1.645 1.044) 4.015 13.590 ( 3.053 2.911 -1.486) 4.472 14.263 ( -2.120 -5.079 2.984) 6.261 14.313 ( -4.281 -5.248 -1.734) 6.991 14.926 ( -0.387 3.117 12.856) 13.235 15.089 ( -2.558 0.749 -2.990) 4.005 17.509 ( -0.348 -1.419 -1.823) 2.336 17.518 ( -1.912 1.162 -2.865) 3.635 18.071 ( -0.449 -7.349 10.979) 13.220 18.268 ( -1.985 -8.054 -8.487) 11.867 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -9.448 6.922 3.348) 12.181 1.401 ( -10.743 3.832 -10.781) 15.695 1.679 ( 0.106 -2.713 7.326) 7.813 1.743 ( -0.194 -2.816 0.492) 2.865 1.894 ( 0.492 0.064 6.541) 6.560 1.949 ( 1.147 3.440 2.013) 4.148 2.078 ( 1.042 4.689 -7.350) 8.780 2.143 ( 1.902 -0.360 -11.199) 11.365 2.360 ( -2.733 -0.396 1.551) 3.167 2.401 ( -2.316 0.162 -2.270) 3.246 3.058 ( 12.172 -13.131 3.283) 18.203 3.092 ( 7.602 -13.276 0.044) 15.299 4.202 ( 13.521 7.725 15.276) 21.814 4.287 ( 17.489 7.654 7.230) 20.414 4.654 ( 14.067 10.397 -11.745) 21.070 4.825 ( 8.923 17.300 -21.088) 28.698 5.468 ( -3.580 2.663 23.387) 23.809 5.670 ( -7.970 1.977 8.281) 11.662 5.834 ( -12.491 1.588 -1.562) 12.688 5.975 ( -6.686 6.448 -18.033) 20.285 6.293 ( -10.341 0.931 11.593) 15.563 6.500 ( -7.841 2.597 -3.645) 9.028 6.666 ( -12.339 -1.438 -6.820) 14.172 6.822 ( -22.135 -2.112 -19.154) 29.348 7.152 ( -12.275 10.569 3.034) 16.480 7.259 ( -16.283 11.571 -8.541) 21.725 7.608 ( -1.331 5.166 6.659) 8.533 7.759 ( -3.334 7.928 -5.975) 10.472 7.944 ( -10.051 -2.537 11.946) 15.817 8.187 ( -5.605 -2.314 -9.319) 11.118 8.704 ( 4.996 -3.354 7.079) 9.291 8.955 ( 2.148 -2.530 -15.715) 16.062 9.103 ( 21.013 4.181 19.436) 28.927 9.455 ( 17.059 2.053 -14.815) 22.688 10.030 ( 9.586 -13.148 5.419) 17.150 10.058 ( 8.196 -15.146 2.871) 17.459 10.241 ( 6.455 -6.967 2.951) 9.946 10.324 ( 4.517 -8.134 -4.270) 10.237 10.363 ( 4.135 -4.527 2.188) 6.510 10.401 ( 8.802 -4.206 -2.473) 10.064 10.705 ( -3.099 13.692 9.192) 16.780 10.918 ( -8.177 7.863 -10.954) 15.770 11.106 ( -3.685 4.750 10.191) 11.832 11.342 ( -5.243 2.649 -12.259) 13.594 12.594 ( -5.351 3.046 4.089) 7.391 12.712 ( -6.086 2.061 -7.218) 9.663 12.797 ( -1.517 2.229 5.467) 6.095 12.901 ( -1.304 -0.769 -4.521) 4.767 13.279 ( 3.185 1.888 6.819) 7.759 13.398 ( 2.688 -0.166 -4.819) 5.521 13.647 ( 4.948 0.472 0.808) 5.036 13.661 ( 4.065 0.699 -0.407) 4.144 14.184 ( -8.263 -2.157 0.744) 8.572 14.191 ( -6.254 -1.616 -0.229) 6.463 14.934 ( 1.453 -1.384 9.689) 9.895 15.048 ( -1.332 -2.607 -0.988) 3.090 17.464 ( -3.403 1.689 -1.765) 4.189 17.490 ( -1.946 -0.684 -4.263) 4.736 18.060 ( -0.604 -7.097 8.576) 11.148 18.217 ( -3.290 -7.727 -6.920) 10.881 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -10.577 15.202 2.126) 18.641 1.166 ( -13.099 11.261 -8.904) 19.434 1.696 ( 1.529 -2.874 3.518) 4.793 1.747 ( 0.415 -3.917 -2.103) 4.465 1.930 ( 3.116 0.396 8.373) 8.943 1.982 ( 2.181 5.030 3.185) 6.341 2.095 ( 0.721 5.229 -5.079) 7.325 2.156 ( -0.552 -0.636 -8.520) 8.561 2.305 ( -2.538 1.620 0.316) 3.028 2.350 ( -2.730 1.799 -4.272) 5.380 3.254 ( 9.025 -14.543 4.811) 17.779 3.296 ( 11.729 -15.684 1.266) 19.626 4.465 ( 13.429 8.172 17.103) 23.231 4.630 ( 17.073 8.804 11.783) 22.535 4.828 ( 4.380 9.084 -7.440) 12.532 5.041 ( 11.880 9.414 -14.379) 20.893 5.328 ( -8.530 -2.660 8.624) 12.418 5.563 ( -14.198 0.308 -10.147) 17.453 5.654 ( 2.852 7.430 5.130) 9.469 5.862 ( -4.942 2.224 -9.363) 10.818 6.127 ( -7.036 -1.543 2.997) 7.802 6.306 ( -19.492 -5.004 -13.504) 24.235 6.397 ( -15.577 -3.947 -6.494) 17.332 6.414 ( -8.617 -0.548 -9.212) 12.626 6.935 ( -7.913 23.130 5.284) 25.011 7.052 ( -9.069 21.061 -5.500) 23.581 7.441 ( -9.725 3.478 8.742) 13.531 7.644 ( -8.073 5.543 -6.711) 11.872 7.872 ( -1.008 -1.897 6.883) 7.211 8.096 ( -4.801 -1.298 -10.635) 11.740 8.859 ( 9.320 -0.239 5.399) 10.773 9.013 ( 3.667 0.190 -9.390) 10.083 9.463 ( 16.034 2.370 15.361) 22.331 9.697 ( 8.231 1.276 -7.498) 11.207 10.160 ( 4.304 -9.445 3.275) 10.884 10.174 ( 3.587 -11.213 2.810) 12.103 10.363 ( 6.015 -5.312 1.998) 8.270 10.401 ( 3.341 -6.326 -1.232) 7.259 10.470 ( 6.960 -2.678 5.554) 9.299 10.553 ( 4.215 0.274 -1.011) 4.343 10.649 ( 0.564 4.841 1.783) 5.190 10.783 ( -4.355 4.871 -9.663) 11.665 11.065 ( -2.140 -1.437 9.011) 9.372 11.260 ( -4.272 -1.668 -10.074) 11.068 12.505 ( -3.586 4.826 1.309) 6.153 12.592 ( -5.986 3.502 -7.147) 9.959 12.777 ( -0.433 2.247 4.805) 5.322 12.858 ( -2.598 -0.640 -2.986) 4.009 13.350 ( 3.955 1.604 5.393) 6.877 13.441 ( 1.636 0.754 -3.615) 4.039 13.731 ( 2.911 -1.651 0.587) 3.398 13.735 ( 3.835 -0.711 0.299) 3.911 14.009 ( -8.507 3.280 1.585) 9.255 14.056 ( -7.683 2.273 -2.869) 8.511 14.976 ( 2.639 -6.457 7.193) 10.020 15.041 ( 0.335 -7.228 1.180) 7.331 17.399 ( -3.026 2.463 -1.850) 4.318 17.438 ( -3.264 0.604 -5.515) 6.437 18.052 ( -0.153 -6.887 5.221) 8.643 18.150 ( -3.454 -7.338 -4.609) 9.329 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.578 22.001 -1.095) 22.317 0.949 ( -8.137 19.756 -5.637) 22.098 1.728 ( 1.571 -3.113 0.737) 3.564 1.748 ( -0.449 -3.681 -1.496) 3.998 1.997 ( 3.124 1.635 5.978) 6.940 2.018 ( 0.996 4.563 3.277) 5.705 2.105 ( 0.476 5.119 -2.527) 5.729 2.129 ( -1.945 1.629 -3.030) 3.952 2.280 ( 0.121 1.541 -2.888) 3.276 2.304 ( -2.039 1.449 -5.205) 5.775 3.412 ( 6.639 -16.633 7.028) 19.239 3.454 ( 3.389 -17.841 3.705) 18.534 4.691 ( 10.543 7.975 14.595) 19.691 4.838 ( -1.290 11.063 4.865) 12.154 4.892 ( 7.886 14.984 3.716) 17.335 5.103 ( -14.107 3.284 2.773) 14.747 5.255 ( 9.972 -4.837 -15.019) 18.665 5.384 ( -3.409 -3.008 -14.373) 15.075 5.730 ( 3.580 2.548 -0.927) 4.491 5.820 ( -0.920 -4.613 -4.997) 6.863 5.918 ( -10.847 -2.358 -3.093) 11.523 5.991 ( -11.563 -2.334 -10.597) 15.857 6.251 ( 3.339 -0.193 2.712) 4.306 6.349 ( -3.960 -0.305 -5.390) 6.695 6.834 ( -2.380 25.802 2.233) 26.007 6.881 ( -7.260 24.658 -1.772) 25.765 7.374 ( 2.247 8.196 4.110) 9.440 7.482 ( -8.033 7.874 -2.262) 11.473 7.888 ( 3.129 -3.377 -3.763) 5.946 7.984 ( -6.342 -2.702 -9.733) 11.927 9.009 ( 5.731 1.088 2.715) 6.435 9.061 ( 0.370 1.330 -2.309) 2.690 9.696 ( 8.270 2.158 8.196) 11.842 9.774 ( 0.051 1.690 0.541) 1.776 10.197 ( 1.082 -6.397 1.555) 6.672 10.215 ( 0.029 -8.024 -0.062) 8.024 10.431 ( 1.517 -0.874 2.982) 3.458 10.442 ( 0.702 -4.572 1.542) 4.876 10.568 ( 3.250 -0.126 3.409) 4.712 10.608 ( 1.353 0.429 -0.820) 1.639 10.689 ( 4.066 -2.061 4.051) 6.098 10.776 ( -0.847 2.027 -2.014) 2.981 11.045 ( 2.556 -8.247 0.198) 8.637 11.156 ( -6.724 -5.976 -8.416) 12.319 12.468 ( -0.185 5.813 -2.084) 6.178 12.499 ( -3.426 5.157 -5.171) 8.066 12.784 ( 1.169 0.539 3.022) 3.284 12.815 ( -1.915 -0.833 0.159) 2.094 13.419 ( 2.970 1.917 2.490) 4.323 13.453 ( -0.523 1.811 -0.905) 2.091 13.761 ( 0.604 -2.462 -0.099) 2.537 13.773 ( -0.067 -2.056 -0.892) 2.242 13.908 ( -1.453 6.268 0.587) 6.461 13.936 ( -4.087 6.181 -2.043) 7.687 15.023 ( 1.960 -9.824 5.362) 11.363 15.045 ( -0.319 -10.175 3.352) 10.718 17.363 ( -0.543 2.763 -3.307) 4.344 17.381 ( -2.307 2.042 -5.016) 5.886 18.059 ( 1.016 -6.856 1.613) 7.116 18.092 ( -2.491 -7.022 -1.735) 7.650 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 0.928 0.350) 0.992 1.528 ( 0.000 -2.943 -7.609) 8.158 1.682 ( 0.000 0.739 8.299) 8.332 1.779 ( 0.000 0.407 7.279) 7.290 1.945 ( 0.000 3.535 -5.127) 6.228 2.054 ( 0.000 6.571 5.062) 8.295 2.064 ( 0.000 2.935 -10.647) 11.044 2.159 ( 0.000 6.042 -5.128) 7.925 2.263 ( 0.000 -7.549 -0.485) 7.565 2.306 ( 0.000 -8.244 -3.312) 8.884 2.531 ( 0.000 -12.429 3.370) 12.877 2.639 ( 0.000 -14.806 -6.148) 16.031 4.105 ( 0.000 10.773 -4.464) 11.661 4.123 ( 0.000 8.923 -3.924) 9.748 4.801 ( 0.000 24.175 2.234) 24.278 4.974 ( 0.000 13.046 -11.591) 17.451 5.623 ( 0.000 3.471 10.659) 11.210 5.706 ( 0.000 -7.988 3.622) 8.771 6.284 ( 0.000 4.526 14.933) 15.604 6.538 ( 0.000 2.288 3.346) 4.054 6.741 ( 0.000 7.584 -3.573) 8.383 6.789 ( 0.000 1.032 -4.590) 4.704 6.879 ( 0.000 1.254 14.097) 14.152 7.203 ( 0.000 3.304 -6.499) 7.291 7.346 ( 0.000 19.747 6.043) 20.651 7.614 ( 0.000 12.205 -15.327) 19.593 7.974 ( 0.000 -6.709 12.657) 14.325 8.188 ( 0.000 8.761 3.273) 9.352 8.293 ( 0.000 -6.689 -2.267) 7.063 8.409 ( 0.000 4.798 -5.726) 7.470 8.475 ( 0.000 3.648 -10.009) 10.653 8.552 ( 0.000 -2.002 -16.266) 16.388 8.815 ( 0.000 -3.996 8.009) 8.951 9.040 ( 0.000 -1.676 -13.081) 13.188 9.298 ( 0.000 -16.075 4.311) 16.643 9.347 ( 0.000 -22.115 -0.201) 22.116 9.916 ( 0.000 -5.313 3.440) 6.330 9.986 ( 0.000 -6.930 -3.063) 7.577 10.109 ( 0.000 -5.897 -1.738) 6.147 10.124 ( 0.000 -6.940 -3.459) 7.754 11.041 ( 0.000 14.448 9.777) 17.445 11.237 ( 0.000 5.830 -9.292) 10.970 11.522 ( 0.000 7.151 6.587) 9.722 11.652 ( 0.000 1.868 -5.942) 6.229 12.740 ( 0.000 0.848 5.255) 5.323 12.779 ( 0.000 -1.169 1.693) 2.057 12.859 ( 0.000 1.500 -0.671) 1.643 12.906 ( 0.000 0.635 -5.516) 5.552 13.284 ( 0.000 1.998 2.626) 3.300 13.323 ( 0.000 -0.511 -1.037) 1.156 13.595 ( 0.000 3.974 3.320) 5.178 13.640 ( 0.000 3.098 -0.958) 3.243 14.145 ( 0.000 -6.138 1.649) 6.356 14.188 ( 0.000 -7.917 -2.366) 8.263 15.050 ( 0.000 5.678 10.257) 11.724 15.152 ( 0.000 0.991 0.159) 1.003 17.507 ( 0.000 2.459 2.843) 3.759 17.599 ( 0.000 5.429 -6.062) 8.137 17.871 ( 0.000 -11.141 9.724) 14.788 18.060 ( 0.000 -12.816 -8.718) 15.500 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.792 2.625 0.552) 2.797 1.528 ( -0.554 -1.403 -8.336) 8.471 1.663 ( -1.073 0.945 8.026) 8.153 1.767 ( -2.270 0.736 2.357) 3.354 1.940 ( 0.420 2.899 0.101) 2.931 1.988 ( -4.250 2.861 4.892) 7.084 2.077 ( 1.253 1.003 -7.860) 8.023 2.146 ( -0.739 0.968 -7.983) 8.075 2.324 ( 4.151 -2.304 0.294) 4.756 2.362 ( 4.255 -2.710 -2.304) 5.546 2.603 ( 7.103 -12.105 2.010) 14.178 2.680 ( 4.225 -14.242 -4.590) 15.548 4.170 ( 6.895 9.482 -1.266) 11.792 4.205 ( 8.337 7.902 -4.425) 12.310 4.854 ( 5.175 21.318 1.933) 22.022 5.014 ( 4.162 11.872 -11.172) 16.825 5.609 ( -1.682 2.845 13.605) 14.001 5.714 ( 0.265 -4.707 3.187) 5.690 6.131 ( -12.641 5.707 12.209) 18.478 6.387 ( -13.430 5.302 -3.307) 14.813 6.541 ( -14.436 0.794 6.638) 15.909 6.784 ( -6.521 8.850 3.797) 11.630 6.806 ( -7.566 -4.948 -7.312) 11.627 7.111 ( -11.111 -2.251 -17.177) 20.580 7.459 ( 9.174 20.416 9.637) 24.369 7.650 ( 1.229 13.529 -8.612) 16.084 7.869 ( -9.918 4.999 9.185) 14.413 8.084 ( -14.481 3.456 2.009) 15.023 8.121 ( -10.062 4.137 -12.235) 16.372 8.219 ( -4.892 -3.571 -3.611) 7.052 8.485 ( 2.593 -7.786 8.819) 12.047 8.754 ( 5.122 -11.051 -15.061) 19.370 8.912 ( 12.185 6.546 10.144) 17.153 9.173 ( 16.202 3.564 -14.202) 21.838 9.464 ( 11.941 -18.553 3.176) 22.291 9.492 ( 12.450 -17.180 -0.317) 21.219 9.974 ( 6.019 -5.174 3.533) 8.688 10.046 ( 5.393 -7.626 -3.025) 9.818 10.147 ( 4.532 -5.392 -1.601) 7.224 10.164 ( 3.759 -5.937 -2.951) 7.621 11.043 ( -0.236 13.802 8.688) 16.311 11.207 ( -3.450 6.182 -7.398) 10.239 11.402 ( -11.044 6.471 6.809) 14.498 11.547 ( -9.617 0.900 -7.113) 11.996 12.728 ( -1.683 2.314 4.698) 5.501 12.789 ( 0.620 -0.223 1.152) 1.327 12.872 ( -0.808 0.069 -3.237) 3.337 12.884 ( -0.528 1.323 -3.665) 3.932 13.291 ( 0.871 2.021 3.099) 3.801 13.336 ( 1.540 -0.937 -1.196) 2.163 13.616 ( 1.999 3.179 3.023) 4.820 13.654 ( 1.329 2.470 -0.648) 2.878 14.140 ( -0.504 -5.526 1.382) 5.719 14.177 ( -1.115 -6.746 -2.060) 7.141 15.010 ( -3.951 4.365 9.540) 11.211 15.103 ( -4.896 0.188 0.490) 4.924 17.510 ( 0.102 2.515 1.770) 3.077 17.584 ( -1.561 5.570 -5.460) 7.955 17.870 ( -0.131 -10.940 8.902) 14.105 18.044 ( -1.636 -12.625 -8.134) 15.108 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.776 7.015 0.621) 7.263 1.495 ( -3.137 3.640 -7.211) 8.665 1.648 ( -0.493 0.654 4.138) 4.219 1.712 ( -2.442 -0.044 -1.023) 2.648 1.930 ( -0.371 2.545 7.571) 7.995 1.984 ( 2.861 0.188 2.562) 3.845 2.105 ( 1.531 -1.001 -5.423) 5.723 2.137 ( -0.232 -1.352 -8.094) 8.209 2.386 ( 2.101 3.591 -0.009) 4.161 2.422 ( 1.647 2.399 -2.619) 3.915 2.769 ( 9.442 -13.548 0.812) 16.534 2.789 ( 6.863 -14.266 -0.932) 15.859 4.355 ( 11.989 7.621 4.117) 14.790 4.431 ( 15.031 4.882 -3.179) 16.120 4.966 ( 5.604 15.058 4.156) 16.596 5.128 ( 7.529 8.784 -10.613) 15.699 5.530 ( -7.336 4.332 17.794) 19.728 5.693 ( -2.609 -0.526 3.098) 4.084 5.918 ( -9.123 6.497 4.341) 12.012 6.129 ( -12.424 7.204 -10.938) 18.052 6.242 ( -14.933 -5.030 6.643) 17.100 6.543 ( -19.391 -9.319 -14.517) 25.953 6.608 ( -10.384 7.855 -2.105) 13.189 6.801 ( -20.074 -0.517 -18.373) 27.217 7.546 ( -10.720 14.383 0.866) 17.960 7.559 ( -1.884 17.274 -0.077) 17.377 7.687 ( -4.650 5.264 9.669) 11.951 7.922 ( -7.779 6.488 1.582) 10.252 7.944 ( -3.711 5.183 0.287) 6.381 8.166 ( -1.359 4.291 -9.919) 10.893 8.601 ( 10.026 -7.883 10.237) 16.354 8.856 ( 5.701 -8.649 -13.933) 17.362 9.207 ( 17.032 5.387 15.044) 23.354 9.495 ( 15.087 1.089 -12.519) 19.635 9.683 ( 10.256 -18.822 3.474) 21.714 9.719 ( 10.637 -14.206 0.098) 17.747 10.130 ( 9.389 -3.123 1.638) 10.030 10.162 ( 7.166 -5.821 -1.396) 9.337 10.246 ( 5.072 -5.108 1.117) 7.284 10.295 ( 9.971 -5.432 -3.642) 11.925 10.992 ( -6.458 12.960 5.165) 15.374 11.083 ( -9.770 7.058 -4.060) 12.718 11.190 ( -9.005 2.527 7.399) 11.926 11.357 ( -9.094 -2.064 -8.164) 12.394 12.679 ( -3.069 4.743 2.581) 6.211 12.765 ( -3.867 2.679 -5.003) 6.868 12.831 ( -1.325 0.216 1.030) 1.692 12.883 ( -1.371 -0.863 -3.341) 3.714 13.325 ( 2.854 2.088 4.010) 5.347 13.384 ( 3.412 -1.131 -1.906) 4.069 13.664 ( 2.817 1.258 2.042) 3.700 13.682 ( 1.496 0.996 0.327) 1.827 14.122 ( -1.605 -2.587 1.254) 3.293 14.153 ( -1.120 -2.501 -1.754) 3.253 14.914 ( -5.750 -0.194 7.928) 9.795 14.985 ( -6.897 -3.014 1.033) 7.597 17.504 ( -0.778 3.118 -0.370) 3.235 17.544 ( -2.509 6.030 -4.312) 7.826 17.866 ( -0.287 -10.626 6.705) 12.568 18.001 ( -2.761 -12.162 -6.617) 14.118 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -2.496 13.066 0.495) 13.311 1.415 ( -4.613 10.963 -3.830) 12.495 1.653 ( 1.022 -1.054 0.637) 1.600 1.688 ( -0.228 -2.071 -2.002) 2.889 1.959 ( 3.012 2.005 7.349) 8.192 2.046 ( 3.225 0.635 2.480) 4.118 2.131 ( 0.447 -1.339 -4.584) 4.797 2.135 ( 0.668 -1.157 -6.520) 6.655 2.404 ( 0.060 7.948 0.103) 7.949 2.427 ( -0.825 6.061 -1.925) 6.412 2.918 ( 6.686 -16.339 2.926) 17.895 2.944 ( 7.922 -16.851 0.639) 18.631 4.592 ( 11.861 6.084 11.075) 17.331 4.751 ( 17.617 0.406 -3.582) 17.982 5.045 ( 2.455 10.949 10.050) 15.063 5.259 ( 3.730 2.533 -3.740) 5.858 5.390 ( -3.767 11.769 2.947) 12.704 5.602 ( -11.353 3.738 -9.286) 15.136 5.728 ( -5.425 0.535 2.998) 6.221 5.912 ( -11.032 2.969 -9.941) 15.144 6.072 ( -3.663 -4.487 0.196) 5.796 6.142 ( -20.478 -7.377 -8.001) 23.190 6.392 ( -16.819 1.886 -7.124) 18.363 6.450 ( -10.152 1.685 -10.652) 14.811 7.350 ( -6.754 9.258 6.178) 13.019 7.479 ( -4.494 10.566 -4.529) 12.343 7.679 ( 2.654 19.084 4.738) 19.842 7.826 ( -2.809 15.745 -8.140) 17.946 7.879 ( -4.289 6.636 9.716) 12.523 8.100 ( -6.533 7.237 -9.965) 13.941 8.814 ( 11.016 -6.505 6.916) 14.543 8.965 ( 5.294 -7.734 -7.927) 12.275 9.513 ( 14.359 2.030 13.364) 19.721 9.709 ( 7.403 -1.532 -4.884) 9.000 9.847 ( 6.850 -16.113 1.775) 17.598 9.882 ( 6.094 -14.329 -1.061) 15.607 10.289 ( 7.931 -1.938 1.632) 8.326 10.305 ( 5.820 -0.422 0.097) 5.837 10.388 ( 10.836 -4.517 4.779) 12.676 10.503 ( 11.369 -5.047 -5.888) 13.762 10.810 ( -10.848 8.859 3.589) 14.459 10.888 ( -9.237 4.960 -3.865) 11.174 11.044 ( -8.241 -0.539 6.738) 10.658 11.196 ( -8.536 -4.697 -7.322) 12.188 12.626 ( -2.154 6.255 -0.094) 6.616 12.679 ( -4.204 4.530 -5.372) 8.189 12.807 ( -1.500 -0.444 0.630) 1.686 12.835 ( -3.123 -1.597 -2.270) 4.178 13.398 ( 4.577 2.755 3.703) 6.501 13.457 ( 3.915 0.471 -2.219) 4.525 13.698 ( 0.536 -1.054 1.583) 1.976 13.715 ( 1.642 -1.113 0.242) 1.998 14.088 ( -1.336 4.396 2.311) 5.143 14.135 ( -0.859 4.346 -2.054) 4.883 14.809 ( -4.771 -8.138 6.244) 11.313 14.859 ( -6.027 -9.077 1.538) 11.003 17.482 ( -1.448 4.828 -1.978) 5.414 17.497 ( -2.225 6.416 -3.632) 7.701 17.861 ( -0.095 -10.605 3.727) 11.241 17.945 ( -2.963 -11.666 -4.575) 12.877 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.921 17.188 0.010) 17.213 1.344 ( -2.383 16.302 -1.291) 16.526 1.676 ( 1.089 -2.179 -0.669) 2.526 1.688 ( -0.141 -2.614 -1.609) 3.073 2.027 ( 3.660 1.572 4.031) 5.667 2.077 ( -0.910 1.479 2.194) 2.798 2.137 ( 1.156 -1.837 -5.294) 5.722 2.151 ( 0.179 -0.859 -3.947) 4.043 2.399 ( -0.226 9.959 0.979) 10.009 2.406 ( -0.951 9.063 0.155) 9.114 3.025 ( 4.065 -19.025 4.662) 20.005 3.047 ( 2.246 -19.696 2.911) 20.036 4.794 ( 10.385 4.855 12.889) 17.250 5.000 ( -7.492 5.050 8.747) 12.576 5.054 ( 11.034 -5.275 -9.575) 15.533 5.249 ( -7.526 -3.025 -11.479) 14.055 5.341 ( 3.758 19.733 4.265) 20.535 5.463 ( -1.392 14.361 -3.739) 14.905 5.724 ( -1.234 -3.132 -2.747) 4.345 5.741 ( -4.950 -0.901 -5.304) 7.311 5.852 ( -4.334 -2.796 -4.376) 6.764 5.963 ( -10.517 0.906 -12.783) 16.578 6.195 ( 0.280 -6.269 3.100) 6.999 6.295 ( -7.684 -5.856 -5.472) 11.103 7.323 ( 3.163 15.116 4.323) 16.037 7.406 ( -4.084 17.663 -1.026) 18.158 7.765 ( 5.506 10.351 -2.221) 11.933 7.793 ( -0.407 11.865 -5.100) 12.921 7.803 ( -2.144 21.141 2.814) 21.435 7.934 ( -9.728 8.518 -9.015) 15.763 8.982 ( 6.001 -7.084 3.364) 9.875 9.031 ( 0.883 -7.844 -1.497) 8.034 9.727 ( 7.543 0.340 7.994) 10.996 9.789 ( 0.894 -1.155 2.018) 2.491 9.935 ( 2.409 -15.071 0.430) 15.269 9.947 ( 1.036 -14.328 -0.689) 14.382 10.405 ( 4.774 2.054 3.266) 6.138 10.424 ( 4.751 1.540 2.158) 5.440 10.610 ( 8.612 -2.139 1.202) 8.955 10.638 ( 0.052 4.876 5.666) 7.476 10.652 ( -3.024 -0.066 -0.577) 3.080 10.812 ( 3.840 -2.053 -9.213) 10.190 10.859 ( -8.710 -5.298 6.194) 11.928 11.015 ( -10.591 -6.896 -8.124) 15.024 12.603 ( -0.212 6.453 -2.314) 6.859 12.620 ( -1.986 5.725 -4.018) 7.271 12.781 ( -0.835 -1.402 -0.373) 1.674 12.786 ( -1.536 -1.958 -0.955) 2.666 13.483 ( 3.692 4.079 2.203) 5.926 13.512 ( 1.072 3.644 -0.660) 3.855 13.701 ( 0.315 -3.343 0.820) 3.456 13.720 ( -1.039 -3.203 -0.753) 3.451 14.087 ( 1.167 10.883 2.131) 11.151 14.115 ( -1.360 10.905 -0.478) 11.000 14.749 ( -1.221 -15.351 4.405) 16.017 14.768 ( -3.159 -15.168 2.550) 15.702 17.460 ( -0.560 6.485 -2.830) 7.098 17.465 ( -1.048 6.594 -3.358) 7.473 17.867 ( 0.815 -10.886 0.622) 10.934 17.895 ( -2.125 -11.258 -2.175) 11.662 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.000 -2.121 -3.495) 4.088 1.474 ( 0.000 2.121 -3.495) 4.088 1.745 ( 0.000 -3.735 10.011) 10.685 1.745 ( 0.000 3.735 10.011) 10.685 2.094 ( 0.000 -9.144 -2.603) 9.507 2.094 ( 0.000 9.144 -2.603) 9.507 2.124 ( 0.000 -3.763 -7.202) 8.126 2.124 ( 0.000 3.763 -7.202) 8.126 2.226 ( 0.000 -5.596 -1.706) 5.851 2.226 ( 0.000 5.596 -1.706) 5.851 2.398 ( 0.000 -5.701 -2.973) 6.430 2.398 ( 0.000 5.701 -2.973) 6.430 4.229 ( 0.000 -0.140 -6.301) 6.303 4.229 ( 0.000 0.140 -6.301) 6.303 5.119 ( 0.000 -2.831 -1.126) 3.047 5.119 ( 0.000 2.831 -1.126) 3.047 5.609 ( 0.000 -0.629 3.372) 3.430 5.609 ( 0.000 0.629 3.372) 3.430 6.433 ( 0.000 -8.204 20.726) 22.291 6.433 ( 0.000 8.204 20.726) 22.291 6.793 ( 0.000 -0.329 -7.275) 7.283 6.793 ( 0.000 0.329 -7.275) 7.283 7.077 ( 0.000 -11.793 -6.341) 13.390 7.077 ( 0.000 11.793 -6.341) 13.390 7.749 ( 0.000 -15.300 13.698) 20.536 7.749 ( 0.000 15.300 13.698) 20.536 8.029 ( 0.000 -18.985 -6.959) 20.220 8.029 ( 0.000 18.985 -6.959) 20.220 8.374 ( 0.000 -9.284 -6.432) 11.295 8.374 ( 0.000 9.284 -6.432) 11.295 8.506 ( 0.000 -2.733 -8.614) 9.037 8.506 ( 0.000 2.733 -8.614) 9.037 8.922 ( 0.000 -14.031 3.979) 14.584 8.922 ( 0.000 14.031 3.979) 14.584 9.076 ( 0.000 -4.290 -4.777) 6.421 9.076 ( 0.000 4.290 -4.777) 6.421 9.882 ( 0.000 -2.223 0.469) 2.272 9.882 ( 0.000 2.223 0.469) 2.272 10.044 ( 0.000 -0.289 -3.414) 3.426 10.044 ( 0.000 0.289 -3.414) 3.426 11.254 ( 0.000 -4.905 0.198) 4.909 11.254 ( 0.000 4.905 0.198) 4.909 11.632 ( 0.000 -3.374 0.665) 3.439 11.632 ( 0.000 3.374 0.665) 3.439 12.758 ( 0.000 -0.864 3.366) 3.475 12.758 ( 0.000 0.864 3.366) 3.475 12.898 ( 0.000 -1.522 -3.698) 3.999 12.898 ( 0.000 1.522 -3.698) 3.999 13.309 ( 0.000 -0.726 1.823) 1.962 13.309 ( 0.000 0.726 1.823) 1.962 13.660 ( 0.000 -1.399 1.748) 2.238 13.660 ( 0.000 1.399 1.748) 2.238 14.082 ( 0.000 -1.103 -1.162) 1.602 14.082 ( 0.000 1.103 -1.162) 1.602 15.140 ( 0.000 -2.500 5.211) 5.780 15.140 ( 0.000 2.500 5.211) 5.780 17.627 ( 0.000 -8.183 5.421) 9.816 17.627 ( 0.000 8.183 5.421) 9.816 17.800 ( 0.000 -10.487 -6.821) 12.510 17.800 ( 0.000 10.487 -6.821) 12.510 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.020 -2.348 -3.518) 4.351 1.486 ( 1.020 2.348 -3.518) 4.351 1.734 ( -1.130 -4.209 8.272) 9.350 1.734 ( -1.130 4.209 8.272) 9.350 2.022 ( -4.848 -1.963 -2.562) 5.824 2.022 ( -4.848 1.963 -2.562) 5.824 2.094 ( -0.758 -2.786 -4.291) 5.172 2.094 ( -0.758 2.786 -4.291) 5.172 2.344 ( 8.316 -2.924 -2.942) 9.293 2.344 ( 8.316 2.924 -2.942) 9.293 2.463 ( 5.436 -3.812 -2.267) 7.016 2.463 ( 5.436 3.812 -2.267) 7.016 4.290 ( 6.453 -0.893 -4.943) 8.178 4.290 ( 6.453 0.893 -4.943) 8.178 5.130 ( 1.204 -2.936 -0.751) 3.261 5.130 ( 1.204 2.936 -0.751) 3.261 5.635 ( 2.041 -2.609 4.462) 5.558 5.635 ( 2.041 2.609 4.462) 5.558 6.295 ( -12.056 -8.686 18.708) 23.891 6.295 ( -12.056 8.686 18.708) 23.891 6.662 ( -13.332 -7.643 -10.160) 18.423 6.662 ( -13.332 7.643 -10.160) 18.423 6.989 ( -8.734 -8.927 -10.005) 16.002 6.989 ( -8.734 8.927 -10.005) 16.002 7.812 ( 1.374 -9.286 9.890) 13.636 7.812 ( 1.374 9.286 9.890) 13.636 7.979 ( -5.562 -14.908 0.364) 15.916 7.979 ( -5.562 14.908 0.364) 15.916 8.255 ( -7.485 -7.492 -1.182) 10.657 8.255 ( -7.485 7.492 -1.182) 10.657 8.435 ( 1.145 -15.646 -11.486) 19.443 8.435 ( 1.145 15.646 -11.486) 19.443 9.105 ( 13.038 -13.083 7.404) 19.899 9.105 ( 13.038 13.083 7.404) 19.899 9.263 ( 15.474 -6.148 -8.710) 18.791 9.263 ( 15.474 6.148 -8.710) 18.791 9.939 ( 5.989 -1.964 0.597) 6.331 9.939 ( 5.989 1.964 0.597) 6.331 10.092 ( 4.668 -0.478 -2.919) 5.527 10.092 ( 4.668 0.478 -2.919) 5.527 11.240 ( -1.654 -3.978 0.857) 4.393 11.240 ( -1.654 3.978 0.857) 4.393 11.509 ( -11.769 -3.898 0.131) 12.399 11.509 ( -11.769 3.898 0.131) 12.399 12.771 ( 0.730 -1.562 3.009) 3.468 12.771 ( 0.730 1.562 3.009) 3.468 12.889 ( -1.130 -0.927 -4.459) 4.693 12.889 ( -1.130 0.927 -4.459) 4.693 13.318 ( 1.055 -0.795 1.812) 2.242 13.318 ( 1.055 0.795 1.812) 2.242 13.669 ( 0.870 -1.223 1.732) 2.292 13.669 ( 0.870 1.223 1.732) 2.292 14.085 ( 0.418 -1.039 -0.877) 1.422 14.085 ( 0.418 1.039 -0.877) 1.422 15.083 ( -5.751 -2.266 4.956) 7.923 15.083 ( -5.751 2.266 4.956) 7.923 17.627 ( -0.077 -7.672 4.332) 8.811 17.627 ( -0.077 7.672 4.332) 8.811 17.788 ( -1.172 -10.052 -6.005) 11.768 17.788 ( -1.172 10.052 -6.005) 11.768 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 1.324 -2.175 -3.012) 3.944 1.508 ( 1.324 2.175 -3.012) 3.944 1.700 ( -2.556 -2.577 3.316) 4.917 1.700 ( -2.556 2.577 3.316) 4.917 1.975 ( 0.131 -1.515 2.050) 2.552 1.975 ( 0.131 1.515 2.050) 2.552 2.096 ( 0.811 -1.277 -4.705) 4.943 2.096 ( 0.811 1.277 -4.705) 4.943 2.496 ( 7.168 -2.079 -1.738) 7.663 2.496 ( 7.168 2.079 -1.738) 7.663 2.564 ( 4.616 -1.790 -1.244) 5.104 2.564 ( 4.616 1.790 -1.244) 5.104 4.468 ( 11.816 -1.998 -1.339) 12.059 4.468 ( 11.816 1.998 -1.339) 12.059 5.168 ( 2.673 -4.055 1.115) 4.983 5.168 ( 2.673 4.055 1.115) 4.983 5.641 ( -2.262 -4.601 7.787) 9.323 5.641 ( -2.262 4.601 7.787) 9.323 6.076 ( -9.633 -7.824 8.930) 15.289 6.076 ( -9.633 7.824 8.930) 15.289 6.330 ( -19.768 -9.893 -14.915) 26.666 6.330 ( -19.768 9.893 -14.915) 26.666 6.756 ( -15.195 -4.726 -11.290) 19.511 6.756 ( -15.195 4.726 -11.290) 19.511 7.640 ( -13.307 -1.186 0.622) 13.374 7.640 ( -13.307 1.186 0.622) 13.374 7.912 ( -2.583 -6.820 3.938) 8.288 7.912 ( -2.583 6.820 3.938) 8.288 8.288 ( 8.353 -20.988 7.263) 23.728 8.288 ( 8.353 20.988 7.263) 23.728 8.519 ( 4.946 -21.816 -10.101) 24.545 8.519 ( 4.946 21.816 -10.101) 24.545 9.348 ( 12.225 -9.863 8.194) 17.716 9.348 ( 12.225 9.863 8.194) 17.716 9.542 ( 12.659 -2.941 -7.802) 15.158 9.542 ( 12.659 2.941 -7.802) 15.158 10.103 ( 10.520 -0.622 1.724) 10.678 10.103 ( 10.520 0.622 1.724) 10.678 10.207 ( 7.286 -1.981 -2.540) 7.967 10.207 ( 7.286 1.981 -2.540) 7.967 11.173 ( -6.690 -1.996 2.839) 7.537 11.173 ( -6.690 1.996 2.839) 7.537 11.249 ( -13.163 -7.179 -1.859) 15.108 11.249 ( -13.163 7.179 -1.859) 15.108 12.769 ( -0.999 -3.147 1.153) 3.498 12.769 ( -0.999 3.147 1.153) 3.498 12.849 ( -3.056 -2.397 -4.589) 6.012 12.849 ( -3.056 2.398 -4.589) 6.012 13.359 ( 3.433 -1.256 1.355) 3.899 13.359 ( 3.433 1.256 1.355) 3.899 13.688 ( 0.964 -0.602 1.537) 1.911 13.688 ( 0.964 0.602 1.536) 1.911 14.106 ( 2.023 -1.222 -0.072) 2.364 14.106 ( 2.023 1.222 -0.072) 2.364 14.932 ( -9.770 -1.883 4.280) 10.831 14.932 ( -9.770 1.883 4.280) 10.831 17.623 ( -0.313 -6.528 1.912) 6.809 17.623 ( -0.313 6.528 1.912) 6.809 17.757 ( -2.132 -8.837 -4.266) 10.042 17.757 ( -2.132 8.837 -4.266) 10.042 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.017 -1.525 -2.017) 3.235 1.540 ( 2.017 1.525 -2.017) 3.235 1.647 ( -2.584 -1.128 0.428) 2.852 1.647 ( -2.584 1.128 0.428) 2.852 2.011 ( 3.027 -2.955 2.849) 5.100 2.011 ( 3.027 2.955 2.849) 5.100 2.114 ( 0.792 -0.440 -3.750) 3.858 2.114 ( 0.792 0.440 -3.750) 3.858 2.606 ( 4.275 -5.142 0.398) 6.699 2.606 ( 4.275 5.142 0.398) 6.699 2.634 ( 2.913 -6.122 0.122) 6.781 2.634 ( 2.913 6.122 0.122) 6.781 4.708 ( 12.252 -4.224 3.103) 13.326 4.708 ( 12.252 4.224 3.103) 13.326 5.209 ( 0.527 -5.499 4.773) 7.301 5.209 ( 0.527 5.499 4.773) 7.301 5.601 ( 0.715 -5.962 0.847) 6.064 5.601 ( 0.715 5.962 0.847) 6.064 5.840 ( -16.372 -10.442 -11.564) 22.601 5.840 ( -16.372 10.442 -11.564) 22.601 6.043 ( -8.544 -4.059 0.642) 9.481 6.043 ( -8.544 4.059 0.642) 9.481 6.442 ( -17.174 -2.231 -9.824) 19.911 6.442 ( -17.174 2.231 -9.824) 19.911 7.476 ( -2.377 -4.934 -2.210) 5.906 7.476 ( -2.377 4.934 -2.210) 5.906 7.854 ( -4.431 -5.026 2.426) 7.126 7.854 ( -4.431 5.026 2.426) 7.126 8.451 ( 7.514 -27.694 4.824) 29.098 8.451 ( 7.514 27.694 4.824) 29.098 8.581 ( 1.653 -26.867 -5.959) 27.569 8.581 ( 1.653 26.867 -5.959) 27.569 9.565 ( 10.376 -5.008 7.670) 13.841 9.565 ( 10.376 5.008 7.670) 13.841 9.729 ( 6.722 -0.612 -4.527) 8.127 9.729 ( 6.722 0.612 -4.527) 8.127 10.296 ( 9.072 -2.666 4.334) 10.401 10.296 ( 9.072 2.666 4.334) 10.401 10.381 ( 11.260 -5.423 -3.910) 13.095 10.381 ( 11.260 5.423 -3.910) 13.095 10.943 ( -13.583 -2.112 2.555) 13.982 10.943 ( -13.583 2.112 2.555) 13.982 11.076 ( -8.512 -5.389 -2.311) 10.336 11.076 ( -8.512 5.389 -2.311) 10.336 12.738 ( -1.906 -3.038 -1.391) 3.847 12.738 ( -1.906 3.038 -1.391) 3.847 12.784 ( -3.415 -2.538 -3.157) 5.298 12.784 ( -3.415 2.538 -3.157) 5.298 13.447 ( 5.694 -1.549 0.707) 5.943 13.447 ( 5.694 1.549 0.707) 5.943 13.695 ( -0.606 -0.625 1.072) 1.381 13.695 ( -0.606 0.625 1.072) 1.381 14.171 ( 5.126 -2.005 0.955) 5.586 14.171 ( 5.126 2.005 0.955) 5.586 14.725 ( -11.627 -1.818 3.454) 12.264 14.725 ( -11.627 1.818 3.454) 12.264 17.619 ( 0.029 -5.577 -0.255) 5.583 17.619 ( 0.029 5.577 -0.255) 5.583 17.710 ( -2.628 -7.284 -2.900) 8.269 17.710 ( -2.628 7.284 -2.900) 8.269 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 1.731 -0.721 -1.087) 2.168 1.577 ( 1.731 0.721 -1.087) 2.168 1.607 ( -1.666 -0.635 -0.446) 1.838 1.607 ( -1.666 0.635 -0.446) 1.838 2.072 ( 3.029 -2.783 0.596) 4.157 2.072 ( 3.029 2.783 0.596) 4.157 2.114 ( -1.098 -1.748 -1.961) 2.847 2.114 ( -1.098 1.748 -1.961) 2.847 2.661 ( 1.746 -15.012 2.597) 15.335 2.661 ( 1.746 15.012 2.597) 15.335 2.672 ( 0.753 -15.482 1.871) 15.613 2.672 ( 0.753 15.482 1.871) 15.613 4.917 ( 10.522 -6.593 2.506) 12.667 4.917 ( 10.522 6.593 2.506) 12.667 5.126 ( -9.932 -6.693 -0.114) 11.977 5.126 ( -9.932 6.693 -0.114) 11.977 5.643 ( 1.046 -6.867 -2.533) 7.393 5.643 ( 1.046 6.867 -2.533) 7.393 5.682 ( 1.205 -4.747 -5.900) 7.668 5.682 ( 1.205 4.747 -5.900) 7.668 5.940 ( 0.409 -10.370 0.571) 10.394 5.940 ( 0.409 10.370 0.571) 10.394 6.125 ( -15.369 -7.665 -7.913) 18.910 6.125 ( -15.369 7.665 -7.913) 18.910 7.543 ( 8.068 -6.090 -3.161) 10.591 7.543 ( 8.068 6.090 -3.161) 10.591 7.722 ( -9.185 -5.699 -0.721) 10.833 7.722 ( -9.185 5.699 -0.721) 10.833 8.557 ( 3.571 -32.095 1.490) 32.327 8.557 ( 3.571 32.095 1.490) 32.327 8.592 ( -0.433 -31.865 -1.827) 31.921 8.592 ( -0.433 31.865 -1.827) 31.921 9.728 ( 6.320 -1.210 5.000) 8.149 9.728 ( 6.320 1.210 5.000) 8.149 9.792 ( -0.149 -0.894 0.453) 1.013 9.792 ( -0.149 0.894 0.453) 1.013 10.465 ( 9.150 -1.687 4.606) 10.382 10.465 ( 9.150 1.687 4.606) 10.382 10.584 ( 4.905 -4.199 -1.163) 6.561 10.584 ( 4.905 4.199 -1.163) 6.561 10.734 ( -3.771 -2.384 0.684) 4.513 10.734 ( -3.771 2.384 0.684) 4.513 10.887 ( -11.116 -4.539 -4.173) 12.712 10.887 ( -11.116 4.539 -4.173) 12.712 12.713 ( -0.332 -1.521 -2.373) 2.838 12.713 ( -0.332 1.521 -2.373) 2.838 12.730 ( -2.015 -1.381 -2.416) 3.436 12.730 ( -2.015 1.381 -2.416) 3.436 13.561 ( 5.853 -1.543 0.471) 6.071 13.561 ( 5.853 1.543 0.471) 6.071 13.655 ( -3.652 -1.301 0.630) 3.928 13.655 ( -3.652 1.301 0.630) 3.928 14.306 ( 8.973 -2.400 1.888) 9.479 14.306 ( 8.973 2.400 1.888) 9.479 14.503 ( -11.393 -2.130 2.679) 11.896 14.503 ( -11.393 2.130 2.679) 11.896 17.629 ( 1.138 -5.376 -1.523) 5.702 17.629 ( 1.138 5.376 -1.523) 5.702 17.662 ( -2.266 -6.000 -2.191) 6.778 17.662 ( -2.266 6.000 -2.191) 6.778 =================== 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 3/29160 10.0 239.007 154.487 172.231 0.000 0.000 0.000 3/29160 20.0 43.910 53.259 38.087 0.000 0.000 -0.000 3/29160 30.0 22.599 29.777 21.107 0.000 0.000 -0.000 3/29160 40.0 15.157 20.335 14.617 0.000 0.000 -0.000 3/29160 50.0 11.428 15.304 11.202 0.000 0.000 -0.000 3/29160 60.0 9.209 12.195 9.119 0.000 0.000 -0.000 3/29160 70.0 7.738 10.098 7.718 0.000 0.000 -0.000 3/29160 80.0 6.688 8.597 6.707 0.000 0.000 -0.000 3/29160 90.0 5.897 7.476 5.938 0.000 0.000 -0.000 3/29160 100.0 5.277 6.610 5.331 0.000 0.000 -0.000 3/29160 110.0 4.777 5.922 4.838 0.000 0.000 -0.000 3/29160 120.0 4.364 5.363 4.430 0.000 0.000 -0.000 3/29160 130.0 4.018 4.901 4.085 0.000 0.000 -0.000 3/29160 140.0 3.723 4.513 3.791 0.000 0.000 -0.000 3/29160 150.0 3.469 4.182 3.536 0.000 0.000 -0.000 3/29160 160.0 3.247 3.897 3.313 0.000 0.000 -0.000 3/29160 170.0 3.052 3.649 3.118 0.000 0.000 -0.000 3/29160 180.0 2.879 3.431 2.944 0.000 0.000 -0.000 3/29160 190.0 2.725 3.238 2.788 0.000 0.000 -0.000 3/29160 200.0 2.587 3.066 2.649 0.000 0.000 -0.000 3/29160 210.0 2.462 2.912 2.523 0.000 0.000 -0.000 3/29160 220.0 2.349 2.773 2.408 0.000 0.000 -0.000 3/29160 230.0 2.245 2.647 2.303 0.000 0.000 -0.000 3/29160 240.0 2.151 2.532 2.208 0.000 0.000 -0.000 3/29160 250.0 2.064 2.426 2.120 0.000 0.000 -0.000 3/29160 260.0 1.984 2.330 2.038 0.000 0.000 -0.000 3/29160 270.0 1.910 2.241 1.963 0.000 0.000 -0.000 3/29160 280.0 1.841 2.158 1.893 0.000 0.000 -0.000 3/29160 290.0 1.777 2.081 1.828 0.000 0.000 -0.000 3/29160 300.0 1.718 2.010 1.767 0.000 0.000 -0.000 3/29160 310.0 1.662 1.944 1.711 0.000 0.000 -0.000 3/29160 320.0 1.610 1.882 1.657 0.000 0.000 -0.000 3/29160 330.0 1.561 1.823 1.607 0.000 0.000 -0.000 3/29160 340.0 1.515 1.769 1.560 0.000 0.000 -0.000 3/29160 350.0 1.471 1.717 1.516 0.000 0.000 -0.000 3/29160 360.0 1.430 1.669 1.474 0.000 0.000 -0.000 3/29160 370.0 1.391 1.623 1.434 0.000 0.000 -0.000 3/29160 380.0 1.355 1.580 1.397 0.000 0.000 -0.000 3/29160 390.0 1.320 1.538 1.361 0.000 0.000 -0.000 3/29160 400.0 1.287 1.499 1.327 0.000 0.000 -0.000 3/29160 410.0 1.255 1.462 1.295 0.000 0.000 -0.000 3/29160 420.0 1.225 1.427 1.264 0.000 0.000 -0.000 3/29160 430.0 1.197 1.394 1.235 0.000 0.000 -0.000 3/29160 440.0 1.169 1.362 1.207 0.000 0.000 -0.000 3/29160 450.0 1.143 1.331 1.180 0.000 0.000 -0.000 3/29160 460.0 1.118 1.302 1.155 0.000 0.000 -0.000 3/29160 470.0 1.095 1.274 1.130 0.000 0.000 -0.000 3/29160 480.0 1.072 1.247 1.107 0.000 0.000 -0.000 3/29160 490.0 1.050 1.221 1.085 0.000 0.000 -0.000 3/29160 500.0 1.029 1.197 1.063 0.000 0.000 -0.000 3/29160 510.0 1.009 1.173 1.042 0.000 0.000 -0.000 3/29160 520.0 0.989 1.150 1.022 0.000 0.000 -0.000 3/29160 530.0 0.971 1.129 1.003 0.000 0.000 -0.000 3/29160 540.0 0.953 1.108 0.984 0.000 0.000 -0.000 3/29160 550.0 0.935 1.087 0.967 0.000 0.000 -0.000 3/29160 560.0 0.918 1.068 0.949 0.000 0.000 -0.000 3/29160 570.0 0.902 1.049 0.933 0.000 0.000 -0.000 3/29160 580.0 0.887 1.031 0.917 0.000 0.000 -0.000 3/29160 590.0 0.872 1.013 0.901 0.000 0.000 -0.000 3/29160 600.0 0.857 0.996 0.886 0.000 0.000 -0.000 3/29160 610.0 0.843 0.980 0.872 0.000 0.000 -0.000 3/29160 620.0 0.830 0.964 0.858 0.000 0.000 -0.000 3/29160 630.0 0.816 0.949 0.844 0.000 0.000 -0.000 3/29160 640.0 0.804 0.934 0.831 0.000 0.000 -0.000 3/29160 650.0 0.791 0.919 0.818 0.000 0.000 -0.000 3/29160 660.0 0.779 0.905 0.806 0.000 0.000 -0.000 3/29160 670.0 0.768 0.892 0.794 0.000 0.000 -0.000 3/29160 680.0 0.756 0.878 0.782 0.000 0.000 -0.000 3/29160 690.0 0.745 0.866 0.771 0.000 0.000 -0.000 3/29160 700.0 0.735 0.853 0.760 0.000 0.000 -0.000 3/29160 710.0 0.724 0.841 0.749 0.000 0.000 -0.000 3/29160 720.0 0.714 0.830 0.739 0.000 0.000 -0.000 3/29160 730.0 0.704 0.818 0.729 0.000 0.000 -0.000 3/29160 740.0 0.695 0.807 0.719 0.000 0.000 -0.000 3/29160 750.0 0.686 0.796 0.709 0.000 0.000 -0.000 3/29160 760.0 0.677 0.786 0.700 0.000 0.000 -0.000 3/29160 770.0 0.668 0.775 0.691 0.000 0.000 -0.000 3/29160 780.0 0.659 0.766 0.682 0.000 0.000 -0.000 3/29160 790.0 0.651 0.756 0.674 0.000 0.000 -0.000 3/29160 800.0 0.643 0.746 0.665 0.000 0.000 -0.000 3/29160 810.0 0.635 0.737 0.657 0.000 0.000 -0.000 3/29160 820.0 0.627 0.728 0.649 0.000 0.000 -0.000 3/29160 830.0 0.620 0.719 0.641 0.000 0.000 -0.000 3/29160 840.0 0.612 0.711 0.634 0.000 0.000 -0.000 3/29160 850.0 0.605 0.702 0.626 0.000 0.000 -0.000 3/29160 860.0 0.598 0.694 0.619 0.000 0.000 -0.000 3/29160 870.0 0.591 0.686 0.612 0.000 0.000 -0.000 3/29160 880.0 0.584 0.678 0.605 0.000 0.000 -0.000 3/29160 890.0 0.578 0.671 0.598 0.000 0.000 -0.000 3/29160 900.0 0.571 0.663 0.591 0.000 0.000 -0.000 3/29160 910.0 0.565 0.656 0.585 0.000 0.000 -0.000 3/29160 920.0 0.559 0.649 0.579 0.000 0.000 -0.000 3/29160 930.0 0.553 0.642 0.572 0.000 0.000 -0.000 3/29160 940.0 0.547 0.635 0.566 0.000 0.000 -0.000 3/29160 950.0 0.541 0.628 0.560 0.000 0.000 -0.000 3/29160 960.0 0.536 0.622 0.555 0.000 0.000 -0.000 3/29160 970.0 0.530 0.615 0.549 0.000 0.000 -0.000 3/29160 980.0 0.525 0.609 0.543 0.000 0.000 -0.000 3/29160 990.0 0.519 0.603 0.538 0.000 0.000 -0.000 3/29160 1000.0 0.514 0.597 0.532 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:54:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|