----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:35:19]------------------------- 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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.811271269242515 1.623088224062224 9.187923923333324 b -2.811271269242510 1.623088224062224 9.187923923333324 c 0.000000000000003 -3.246176448124452 9.187923923333324 Atomic positions (fractional): *1 Li 0.59673572939448 0.59673572939448 0.59673572939448 6.941 2 Li 0.40326427060552 0.40326427060552 0.40326427060552 6.941 *3 F 0.19190136802581 0.72970991693335 0.19190136802581 18.998 4 F 0.72970991693335 0.19190136802581 0.19190136802581 18.998 5 F 0.19190136802581 0.19190136802581 0.72970991693334 18.998 6 F 0.80809863197419 0.80809863197419 0.27029008306666 18.998 *7 F 0.16257220195115 0.60950353679321 0.60950353679321 18.998 8 F 0.60950353679321 0.16257220195115 0.60950353679321 18.998 9 F 0.60950353679321 0.60950353679321 0.16257220195115 18.998 10 F 0.39049646320679 0.39049646320679 0.83742779804885 18.998 11 F 0.83742779804885 0.39049646320679 0.39049646320679 18.998 12 F 0.39049646320679 0.83742779804885 0.39049646320679 18.998 13 F 0.27029008306666 0.80809863197419 0.80809863197419 18.998 14 F 0.80809863197419 0.27029008306666 0.80809863197419 18.998 *15 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *16 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *17 K 0.71852422085101 0.71852422085101 0.71852422085101 39.098 18 K 0.28147577914899 0.28147577914899 0.28147577914899 39.098 *19 K 0.87231420487645 0.87231420487645 0.87231420487645 39.098 20 K 0.12768579512355 0.12768579512355 0.12768579512355 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.622542538485026 0.000000000000000 0.000000000000000 b -2.811271269242513 4.869264672186676 0.000000000000000 c 0.000000000000000 0.000000000000000 27.563771769999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.26340239606115 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.06993093727218 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.59673572939448 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.40326427060552 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.93006906272781 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.73659760393885 6.941 > 2 *7 F 0.15406381703082 0.84593618296918 0.03783755099499 18.998 > 3 8 F 0.69187236593836 0.84593618296918 0.03783755099499 18.998 > 4 9 F 0.15406381703082 0.30812763406164 0.03783755099499 18.998 > 5 10 F 0.51260284963585 0.02520569927169 0.29549578233835 18.998 > 6 *11 F 0.03537911010529 0.51768955505265 0.12719309184586 18.998 > 7 12 F 0.48231044494735 0.51768955505265 0.12719309184586 18.998 > 8 13 F 0.48231044494735 0.96462088989471 0.12719309184586 18.998 > 9 14 F 0.18435622171931 0.36871244343863 0.20614024148747 18.998 > 10 15 F 0.63128755656137 0.81564377828069 0.20614024148747 18.998 > 11 16 F 0.18435622171931 0.81564377828069 0.20614024148747 18.998 > 12 17 F 0.97479430072831 0.48739715036415 0.29549578233835 18.998 > 13 18 F 0.51260284963585 0.48739715036415 0.29549578233835 18.998 > 14 19 F 0.82073048369749 0.17926951630251 0.37117088432832 18.998 > 3 20 F 0.35853903260502 0.17926951630251 0.37117088432832 18.998 > 4 21 F 0.82073048369749 0.64146096739498 0.37117088432832 18.998 > 5 22 F 0.17926951630251 0.35853903260502 0.62882911567168 18.998 > 6 23 F 0.70204577677196 0.85102288838598 0.46052642517919 18.998 > 7 24 F 0.14897711161402 0.85102288838598 0.46052642517919 18.998 > 8 25 F 0.14897711161402 0.29795422322804 0.46052642517919 18.998 > 9 26 F 0.85102288838598 0.70204577677196 0.53947357482081 18.998 > 10 27 F 0.29795422322804 0.14897711161402 0.53947357482081 18.998 > 11 28 F 0.85102288838598 0.14897711161402 0.53947357482081 18.998 > 12 29 F 0.64146096739498 0.82073048369749 0.62882911567168 18.998 > 13 30 F 0.17926951630251 0.82073048369749 0.62882911567168 18.998 > 14 31 F 0.48739715036415 0.51260284963585 0.70450421766165 18.998 > 3 32 F 0.02520569927169 0.51260284963585 0.70450421766165 18.998 > 4 33 F 0.48739715036415 0.97479430072831 0.70450421766165 18.998 > 5 34 F 0.84593618296918 0.69187236593836 0.96216244900501 18.998 > 6 35 F 0.36871244343863 0.18435622171931 0.79385975851253 18.998 > 7 36 F 0.81564377828069 0.18435622171931 0.79385975851253 18.998 > 8 37 F 0.81564377828069 0.63128755656137 0.79385975851253 18.998 > 9 38 F 0.51768955505265 0.03537911010529 0.87280690815414 18.998 > 10 39 F 0.96462088989471 0.48231044494735 0.87280690815414 18.998 > 11 40 F 0.51768955505265 0.48231044494735 0.87280690815414 18.998 > 12 41 F 0.30812763406164 0.15406381703082 0.96216244900501 18.998 > 13 42 F 0.84593618296918 0.15406381703082 0.96216244900501 18.998 > 14 *43 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 15 *44 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 16 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 15 46 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 16 47 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 15 48 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 16 *49 K 0.66666666666667 0.33333333333333 0.05185755418434 39.098 > 17 50 K 0.00000000000000 0.00000000000000 0.28147577914899 39.098 > 18 *51 K 0.66666666666667 0.33333333333333 0.20564753820979 39.098 > 19 52 K 0.00000000000000 0.00000000000000 0.12768579512355 39.098 > 20 53 K 0.33333333333333 0.66666666666667 0.38519088751767 39.098 > 17 54 K 0.66666666666667 0.33333333333333 0.61480911248233 39.098 > 18 55 K 0.33333333333333 0.66666666666667 0.53898087154312 39.098 > 19 56 K 0.66666666666667 0.33333333333333 0.46101912845688 39.098 > 20 57 K 0.00000000000000 0.00000000000000 0.71852422085101 39.098 > 17 58 K 0.33333333333333 0.66666666666667 0.94814244581566 39.098 > 18 59 K 0.00000000000000 0.00000000000000 0.87231420487645 39.098 > 19 60 K 0.33333333333333 0.66666666666667 0.79435246179021 39.098 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.622542538485026 0.000000000000000 0.000000000000000 b -2.811271269242513 4.869264672186676 0.000000000000000 c 0.000000000000000 0.000000000000000 27.563771769999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.26340239606115 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.06993093727218 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.59673572939448 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.40326427060552 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.93006906272781 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.73659760393885 6.941 > 2 *7 F 0.15406381703082 0.84593618296918 0.03783755099499 18.998 > 3 8 F 0.69187236593836 0.84593618296918 0.03783755099499 18.998 > 4 9 F 0.15406381703082 0.30812763406164 0.03783755099499 18.998 > 5 10 F 0.51260284963585 0.02520569927169 0.29549578233835 18.998 > 6 *11 F 0.03537911010529 0.51768955505265 0.12719309184586 18.998 > 7 12 F 0.48231044494735 0.51768955505265 0.12719309184586 18.998 > 8 13 F 0.48231044494735 0.96462088989471 0.12719309184586 18.998 > 9 14 F 0.18435622171931 0.36871244343863 0.20614024148747 18.998 > 10 15 F 0.63128755656137 0.81564377828069 0.20614024148747 18.998 > 11 16 F 0.18435622171931 0.81564377828069 0.20614024148747 18.998 > 12 17 F 0.97479430072831 0.48739715036415 0.29549578233835 18.998 > 13 18 F 0.51260284963585 0.48739715036415 0.29549578233835 18.998 > 14 19 F 0.82073048369749 0.17926951630251 0.37117088432832 18.998 > 3 20 F 0.35853903260502 0.17926951630251 0.37117088432832 18.998 > 4 21 F 0.82073048369749 0.64146096739498 0.37117088432832 18.998 > 5 22 F 0.17926951630251 0.35853903260502 0.62882911567168 18.998 > 6 23 F 0.70204577677196 0.85102288838598 0.46052642517919 18.998 > 7 24 F 0.14897711161402 0.85102288838598 0.46052642517919 18.998 > 8 25 F 0.14897711161402 0.29795422322804 0.46052642517919 18.998 > 9 26 F 0.85102288838598 0.70204577677196 0.53947357482081 18.998 > 10 27 F 0.29795422322804 0.14897711161402 0.53947357482081 18.998 > 11 28 F 0.85102288838598 0.14897711161402 0.53947357482081 18.998 > 12 29 F 0.64146096739498 0.82073048369749 0.62882911567168 18.998 > 13 30 F 0.17926951630251 0.82073048369749 0.62882911567168 18.998 > 14 31 F 0.48739715036415 0.51260284963585 0.70450421766165 18.998 > 3 32 F 0.02520569927169 0.51260284963585 0.70450421766165 18.998 > 4 33 F 0.48739715036415 0.97479430072831 0.70450421766165 18.998 > 5 34 F 0.84593618296918 0.69187236593836 0.96216244900501 18.998 > 6 35 F 0.36871244343863 0.18435622171931 0.79385975851253 18.998 > 7 36 F 0.81564377828069 0.18435622171931 0.79385975851253 18.998 > 8 37 F 0.81564377828069 0.63128755656137 0.79385975851253 18.998 > 9 38 F 0.51768955505265 0.03537911010529 0.87280690815414 18.998 > 10 39 F 0.96462088989471 0.48231044494735 0.87280690815414 18.998 > 11 40 F 0.51768955505265 0.48231044494735 0.87280690815414 18.998 > 12 41 F 0.30812763406164 0.15406381703082 0.96216244900501 18.998 > 13 42 F 0.84593618296918 0.15406381703082 0.96216244900501 18.998 > 14 *43 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 15 *44 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 16 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 15 46 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 16 47 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 15 48 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 16 *49 K 0.66666666666667 0.33333333333333 0.05185755418434 39.098 > 17 50 K 0.00000000000000 0.00000000000000 0.28147577914899 39.098 > 18 *51 K 0.66666666666667 0.33333333333333 0.20564753820979 39.098 > 19 52 K 0.00000000000000 0.00000000000000 0.12768579512355 39.098 > 20 53 K 0.33333333333333 0.66666666666667 0.38519088751767 39.098 > 17 54 K 0.66666666666667 0.33333333333333 0.61480911248233 39.098 > 18 55 K 0.33333333333333 0.66666666666667 0.53898087154312 39.098 > 19 56 K 0.66666666666667 0.33333333333333 0.46101912845688 39.098 > 20 57 K 0.00000000000000 0.00000000000000 0.71852422085101 39.098 > 17 58 K 0.33333333333333 0.66666666666667 0.94814244581566 39.098 > 18 59 K 0.00000000000000 0.00000000000000 0.87231420487645 39.098 > 19 60 K 0.33333333333333 0.66666666666667 0.79435246179021 39.098 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0615016 -0.0000000 0.0000000 0.0000000 2.0615016 0.0000000 0.0000000 0.0000000 2.0563067 -------------------------- Born effective charges -------------------------- 1 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 2 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 3 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 4 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 5 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 6 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 7 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 8 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 9 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 10 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 11 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 12 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 13 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 14 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 15 Al 2.6339840 -0.0000000 -0.0000000 -0.0000000 2.6339840 0.0000000 0.0000000 0.0000000 2.6866684 16 Al 2.7309628 -0.0000000 -0.0000000 -0.0000000 2.7309628 0.0000000 0.0000000 0.0000000 2.7560066 17 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 18 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 19 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 20 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 421 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.216 Solver_block: 200 / 240 - Time: 0.226 Solver_block: 240 / 240 - Time: 0.106 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.560 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 421 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), 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 01:35:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:35:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.811271269242515 1.623088224062224 9.187923923333324 b -2.811271269242510 1.623088224062224 9.187923923333324 c 0.000000000000003 -3.246176448124452 9.187923923333324 Atomic positions (fractional): 1 Li 0.59673572939448 0.59673572939448 0.59673572939448 6.941 2 Li 0.40326427060552 0.40326427060552 0.40326427060552 6.941 3 F 0.19190136802581 0.72970991693335 0.19190136802581 18.998 4 F 0.72970991693335 0.19190136802581 0.19190136802581 18.998 5 F 0.19190136802581 0.19190136802581 0.72970991693334 18.998 6 F 0.80809863197419 0.80809863197419 0.27029008306666 18.998 7 F 0.16257220195115 0.60950353679321 0.60950353679321 18.998 8 F 0.60950353679321 0.16257220195115 0.60950353679321 18.998 9 F 0.60950353679321 0.60950353679321 0.16257220195115 18.998 10 F 0.39049646320679 0.39049646320679 0.83742779804885 18.998 11 F 0.83742779804885 0.39049646320679 0.39049646320679 18.998 12 F 0.39049646320679 0.83742779804885 0.39049646320679 18.998 13 F 0.27029008306666 0.80809863197419 0.80809863197419 18.998 14 F 0.80809863197419 0.27029008306666 0.80809863197419 18.998 15 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 17 K 0.71852422085101 0.71852422085101 0.71852422085101 39.098 18 K 0.28147577914899 0.28147577914899 0.28147577914899 39.098 19 K 0.87231420487645 0.87231420487645 0.87231420487645 39.098 20 K 0.12768579512355 0.12768579512355 0.12768579512355 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.622542538485026 0.000000000000000 0.000000000000000 b -2.811271269242513 4.869264672186676 0.000000000000000 c 0.000000000000000 0.000000000000000 27.563771769999999 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.26340239606115 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.06993093727218 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.59673572939448 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.40326427060552 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.93006906272781 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.73659760393885 6.941 > 2 7 F 0.15406381703082 0.84593618296918 0.03783755099499 18.998 > 7 8 F 0.69187236593836 0.84593618296918 0.03783755099499 18.998 > 8 9 F 0.15406381703082 0.30812763406164 0.03783755099499 18.998 > 9 10 F 0.51260284963585 0.02520569927169 0.29549578233835 18.998 > 10 11 F 0.03537911010529 0.51768955505265 0.12719309184586 18.998 > 11 12 F 0.48231044494735 0.51768955505265 0.12719309184586 18.998 > 12 13 F 0.48231044494735 0.96462088989471 0.12719309184586 18.998 > 13 14 F 0.18435622171931 0.36871244343863 0.20614024148747 18.998 > 14 15 F 0.63128755656137 0.81564377828069 0.20614024148747 18.998 > 15 16 F 0.18435622171931 0.81564377828069 0.20614024148747 18.998 > 16 17 F 0.97479430072831 0.48739715036415 0.29549578233835 18.998 > 17 18 F 0.51260284963585 0.48739715036415 0.29549578233835 18.998 > 18 19 F 0.82073048369749 0.17926951630251 0.37117088432832 18.998 > 7 20 F 0.35853903260502 0.17926951630251 0.37117088432832 18.998 > 8 21 F 0.82073048369749 0.64146096739498 0.37117088432832 18.998 > 9 22 F 0.17926951630251 0.35853903260502 0.62882911567168 18.998 > 10 23 F 0.70204577677196 0.85102288838598 0.46052642517919 18.998 > 11 24 F 0.14897711161402 0.85102288838598 0.46052642517919 18.998 > 12 25 F 0.14897711161402 0.29795422322804 0.46052642517919 18.998 > 13 26 F 0.85102288838598 0.70204577677196 0.53947357482081 18.998 > 14 27 F 0.29795422322804 0.14897711161402 0.53947357482081 18.998 > 15 28 F 0.85102288838598 0.14897711161402 0.53947357482081 18.998 > 16 29 F 0.64146096739498 0.82073048369749 0.62882911567168 18.998 > 17 30 F 0.17926951630251 0.82073048369749 0.62882911567168 18.998 > 18 31 F 0.48739715036415 0.51260284963585 0.70450421766165 18.998 > 7 32 F 0.02520569927169 0.51260284963585 0.70450421766165 18.998 > 8 33 F 0.48739715036415 0.97479430072831 0.70450421766165 18.998 > 9 34 F 0.84593618296918 0.69187236593836 0.96216244900501 18.998 > 10 35 F 0.36871244343863 0.18435622171931 0.79385975851253 18.998 > 11 36 F 0.81564377828069 0.18435622171931 0.79385975851253 18.998 > 12 37 F 0.81564377828069 0.63128755656137 0.79385975851253 18.998 > 13 38 F 0.51768955505265 0.03537911010529 0.87280690815414 18.998 > 14 39 F 0.96462088989471 0.48231044494735 0.87280690815414 18.998 > 15 40 F 0.51768955505265 0.48231044494735 0.87280690815414 18.998 > 16 41 F 0.30812763406164 0.15406381703082 0.96216244900501 18.998 > 17 42 F 0.84593618296918 0.15406381703082 0.96216244900501 18.998 > 18 43 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 43 44 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 44 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 43 46 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 44 47 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 43 48 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 44 49 K 0.66666666666667 0.33333333333333 0.05185755418434 39.098 > 49 50 K 0.00000000000000 0.00000000000000 0.28147577914899 39.098 > 50 51 K 0.66666666666667 0.33333333333333 0.20564753820979 39.098 > 51 52 K 0.00000000000000 0.00000000000000 0.12768579512355 39.098 > 52 53 K 0.33333333333333 0.66666666666667 0.38519088751767 39.098 > 49 54 K 0.66666666666667 0.33333333333333 0.61480911248233 39.098 > 50 55 K 0.33333333333333 0.66666666666667 0.53898087154312 39.098 > 51 56 K 0.66666666666667 0.33333333333333 0.46101912845688 39.098 > 52 57 K 0.00000000000000 0.00000000000000 0.71852422085101 39.098 > 49 58 K 0.33333333333333 0.66666666666667 0.94814244581566 39.098 > 50 59 K 0.00000000000000 0.00000000000000 0.87231420487645 39.098 > 51 60 K 0.33333333333333 0.66666666666667 0.79435246179021 39.098 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0615016 -0.0000000 0.0000000 0.0000000 2.0615016 0.0000000 0.0000000 0.0000000 2.0563067 -------------------------- Born effective charges -------------------------- 1 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 2 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 3 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 4 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 5 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 6 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 7 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 8 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 9 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 10 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 11 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 12 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 13 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 14 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 15 Al 2.6339840 -0.0000000 -0.0000000 -0.0000000 2.6339840 0.0000000 0.0000000 0.0000000 2.6866684 16 Al 2.7309628 -0.0000000 -0.0000000 -0.0000000 2.7309628 0.0000000 0.0000000 0.0000000 2.7560066 17 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 18 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 19 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 20 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 44, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:35:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:35:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.811271269242515 1.623088224062224 9.187923923333324 b -2.811271269242510 1.623088224062224 9.187923923333324 c 0.000000000000003 -3.246176448124452 9.187923923333324 Atomic positions (fractional): 1 Li 0.59673572939448 0.59673572939448 0.59673572939448 6.941 2 Li 0.40326427060552 0.40326427060552 0.40326427060552 6.941 3 F 0.19190136802581 0.72970991693335 0.19190136802581 18.998 4 F 0.72970991693335 0.19190136802581 0.19190136802581 18.998 5 F 0.19190136802581 0.19190136802581 0.72970991693334 18.998 6 F 0.80809863197419 0.80809863197419 0.27029008306666 18.998 7 F 0.16257220195115 0.60950353679321 0.60950353679321 18.998 8 F 0.60950353679321 0.16257220195115 0.60950353679321 18.998 9 F 0.60950353679321 0.60950353679321 0.16257220195115 18.998 10 F 0.39049646320679 0.39049646320679 0.83742779804885 18.998 11 F 0.83742779804885 0.39049646320679 0.39049646320679 18.998 12 F 0.39049646320679 0.83742779804885 0.39049646320679 18.998 13 F 0.27029008306666 0.80809863197419 0.80809863197419 18.998 14 F 0.80809863197419 0.27029008306666 0.80809863197419 18.998 15 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 16 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 17 K 0.71852422085101 0.71852422085101 0.71852422085101 39.098 18 K 0.28147577914899 0.28147577914899 0.28147577914899 39.098 19 K 0.87231420487645 0.87231420487645 0.87231420487645 39.098 20 K 0.12768579512355 0.12768579512355 0.12768579512355 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.622542538485026 0.000000000000000 0.000000000000000 b -2.811271269242513 4.869264672186676 0.000000000000000 c 0.000000000000000 0.000000000000000 27.563771769999999 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.26340239606115 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.06993093727218 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.59673572939448 6.941 > 1 4 Li 0.00000000000000 0.00000000000000 0.40326427060552 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.93006906272781 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.73659760393885 6.941 > 2 7 F 0.15406381703082 0.84593618296918 0.03783755099499 18.998 > 7 8 F 0.69187236593836 0.84593618296918 0.03783755099499 18.998 > 8 9 F 0.15406381703082 0.30812763406164 0.03783755099499 18.998 > 9 10 F 0.51260284963585 0.02520569927169 0.29549578233835 18.998 > 10 11 F 0.03537911010529 0.51768955505265 0.12719309184586 18.998 > 11 12 F 0.48231044494735 0.51768955505265 0.12719309184586 18.998 > 12 13 F 0.48231044494735 0.96462088989471 0.12719309184586 18.998 > 13 14 F 0.18435622171931 0.36871244343863 0.20614024148747 18.998 > 14 15 F 0.63128755656137 0.81564377828069 0.20614024148747 18.998 > 15 16 F 0.18435622171931 0.81564377828069 0.20614024148747 18.998 > 16 17 F 0.97479430072831 0.48739715036415 0.29549578233835 18.998 > 17 18 F 0.51260284963585 0.48739715036415 0.29549578233835 18.998 > 18 19 F 0.82073048369749 0.17926951630251 0.37117088432832 18.998 > 7 20 F 0.35853903260502 0.17926951630251 0.37117088432832 18.998 > 8 21 F 0.82073048369749 0.64146096739498 0.37117088432832 18.998 > 9 22 F 0.17926951630251 0.35853903260502 0.62882911567168 18.998 > 10 23 F 0.70204577677196 0.85102288838598 0.46052642517919 18.998 > 11 24 F 0.14897711161402 0.85102288838598 0.46052642517919 18.998 > 12 25 F 0.14897711161402 0.29795422322804 0.46052642517919 18.998 > 13 26 F 0.85102288838598 0.70204577677196 0.53947357482081 18.998 > 14 27 F 0.29795422322804 0.14897711161402 0.53947357482081 18.998 > 15 28 F 0.85102288838598 0.14897711161402 0.53947357482081 18.998 > 16 29 F 0.64146096739498 0.82073048369749 0.62882911567168 18.998 > 17 30 F 0.17926951630251 0.82073048369749 0.62882911567168 18.998 > 18 31 F 0.48739715036415 0.51260284963585 0.70450421766165 18.998 > 7 32 F 0.02520569927169 0.51260284963585 0.70450421766165 18.998 > 8 33 F 0.48739715036415 0.97479430072831 0.70450421766165 18.998 > 9 34 F 0.84593618296918 0.69187236593836 0.96216244900501 18.998 > 10 35 F 0.36871244343863 0.18435622171931 0.79385975851253 18.998 > 11 36 F 0.81564377828069 0.18435622171931 0.79385975851253 18.998 > 12 37 F 0.81564377828069 0.63128755656137 0.79385975851253 18.998 > 13 38 F 0.51768955505265 0.03537911010529 0.87280690815414 18.998 > 14 39 F 0.96462088989471 0.48231044494735 0.87280690815414 18.998 > 15 40 F 0.51768955505265 0.48231044494735 0.87280690815414 18.998 > 16 41 F 0.30812763406164 0.15406381703082 0.96216244900501 18.998 > 17 42 F 0.84593618296918 0.15406381703082 0.96216244900501 18.998 > 18 43 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 43 44 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 44 45 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 43 46 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 44 47 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 43 48 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 44 49 K 0.66666666666667 0.33333333333333 0.05185755418434 39.098 > 49 50 K 0.00000000000000 0.00000000000000 0.28147577914899 39.098 > 50 51 K 0.66666666666667 0.33333333333333 0.20564753820979 39.098 > 51 52 K 0.00000000000000 0.00000000000000 0.12768579512355 39.098 > 52 53 K 0.33333333333333 0.66666666666667 0.38519088751767 39.098 > 49 54 K 0.66666666666667 0.33333333333333 0.61480911248233 39.098 > 50 55 K 0.33333333333333 0.66666666666667 0.53898087154312 39.098 > 51 56 K 0.66666666666667 0.33333333333333 0.46101912845688 39.098 > 52 57 K 0.00000000000000 0.00000000000000 0.71852422085101 39.098 > 49 58 K 0.33333333333333 0.66666666666667 0.94814244581566 39.098 > 50 59 K 0.00000000000000 0.00000000000000 0.87231420487645 39.098 > 51 60 K 0.33333333333333 0.66666666666667 0.79435246179021 39.098 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0615016 -0.0000000 0.0000000 0.0000000 2.0615016 0.0000000 0.0000000 0.0000000 2.0563067 -------------------------- Born effective charges -------------------------- 1 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 2 Li 1.0598484 0.0000000 -0.0000000 -0.0000000 1.0598484 0.0000000 0.0000000 0.0000000 1.1317553 3 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 4 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 5 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 6 F -0.8942449 0.0000000 0.0000000 -0.0000000 -1.1855459 -0.2021032 0.0000000 -0.2125120 -1.0191232 7 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 8 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 9 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 10 F -0.9088589 0.0000000 -0.0000000 -0.0000000 -1.1196524 0.1527069 0.0000000 0.1364499 -1.0506551 11 F -1.0669540 -0.0912763 -0.1322481 -0.0912763 -0.9615573 -0.0763535 -0.1181691 -0.0682250 -1.0506551 12 F -1.0669540 0.0912763 0.1322481 0.0912763 -0.9615573 -0.0763535 0.1181691 -0.0682250 -1.0506551 13 F -1.1127206 -0.1261370 0.1750265 -0.1261370 -0.9670702 0.1010516 0.1840408 0.1062560 -1.0191232 14 F -1.1127206 0.1261370 -0.1750265 0.1261370 -0.9670702 0.1010516 -0.1840408 0.1062560 -1.0191232 15 Al 2.6339840 -0.0000000 -0.0000000 -0.0000000 2.6339840 0.0000000 0.0000000 0.0000000 2.6866684 16 Al 2.7309628 -0.0000000 -0.0000000 -0.0000000 2.7309628 0.0000000 0.0000000 0.0000000 2.7560066 17 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 18 K 1.2181277 -0.0000000 -0.0000000 -0.0000000 1.2181277 0.0000000 0.0000000 0.0000000 1.1896834 19 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 20 K 1.2020036 -0.0000000 -0.0000000 -0.0000000 1.2020036 0.0000000 0.0000000 0.0000000 1.1665584 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 325, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.430 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.076 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.562 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.090 ( 0.000 0.000 0.000) 0.000 12.090 ( 0.000 0.000 0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 13.256 ( 0.000 0.000 0.000) 0.000 16.118 ( 0.000 0.000 0.000) 0.000 16.555 ( 0.000 0.000 0.000) 0.000 16.702 ( 0.000 0.000 0.000) 0.000 16.702 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 20.158 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 24.266 14.010 8.916) 29.405 0.703 ( 28.074 16.208 5.232) 32.836 0.805 ( 31.503 18.188 11.334) 38.102 2.131 ( 3.572 2.063 -0.823) 4.206 2.138 ( 3.623 2.092 0.386) 4.201 2.324 ( 5.980 3.452 -2.793) 7.448 2.371 ( 8.035 4.639 0.659) 9.302 2.907 ( 1.504 0.868 1.091) 2.050 3.172 ( -0.162 -0.094 -0.091) 0.208 3.182 ( 0.734 0.424 -0.299) 0.899 3.432 ( -0.523 -0.302 -0.057) 0.607 3.622 ( -3.440 -1.986 4.253) 5.819 3.692 ( -1.003 -0.579 -1.252) 1.706 3.903 ( 0.679 0.392 0.417) 0.889 3.932 ( 0.486 0.281 1.565) 1.662 4.036 ( 3.688 2.129 -0.271) 4.267 4.070 ( -0.500 -0.289 1.908) 1.994 4.354 ( -1.639 -0.946 -1.739) 2.570 4.428 ( -1.820 -1.051 0.459) 2.152 4.437 ( -0.240 -0.139 -0.889) 0.931 4.513 ( 2.109 1.217 1.052) 2.652 4.627 ( -0.416 -0.240 0.389) 0.618 5.332 ( -7.290 -4.209 -2.807) 8.873 5.833 ( 1.267 0.731 0.527) 1.555 5.950 ( -2.553 -1.474 -17.713) 17.957 6.188 ( -0.105 -0.060 0.914) 0.922 6.198 ( 0.141 0.081 -1.343) 1.353 6.431 ( 0.108 0.063 -0.268) 0.296 6.810 ( -0.595 -0.343 -1.759) 1.888 6.853 ( 0.021 0.012 -0.241) 0.242 8.779 ( -0.395 -0.228 -0.280) 0.535 8.797 ( 0.704 0.407 1.454) 1.666 8.955 ( -0.501 -0.289 0.174) 0.604 9.132 ( 0.200 0.116 15.360) 15.361 9.297 ( -1.983 -1.145 1.508) 2.742 9.315 ( 0.247 0.142 -4.100) 4.110 9.420 ( 1.909 1.102 1.298) 2.558 9.913 ( -6.671 -3.851 5.209) 9.299 10.192 ( 2.953 1.705 10.484) 11.025 10.358 ( -1.015 -0.586 -3.226) 3.433 10.368 ( -0.497 -0.287 -1.115) 1.255 11.055 ( 1.369 0.790 3.150) 3.525 11.461 ( -5.625 -3.248 -0.119) 6.497 11.502 ( -1.139 -0.658 -1.326) 1.868 11.590 ( 0.036 0.021 -0.013) 0.044 11.680 ( 3.228 1.864 2.014) 4.237 11.854 ( -2.146 -1.239 -3.659) 4.419 12.006 ( -4.425 -2.555 -5.537) 7.534 12.116 ( 1.518 0.877 1.847) 2.546 12.197 ( 7.612 4.395 6.936) 11.197 12.394 ( 6.938 4.006 0.176) 8.013 13.269 ( 0.466 0.269 1.529) 1.620 16.130 ( 0.996 0.575 0.270) 1.181 16.530 ( -1.625 -0.938 -0.874) 2.070 16.714 ( 0.794 0.458 1.086) 1.421 17.317 ( 6.165 3.559 -6.526) 9.657 17.549 ( -1.258 -0.726 1.667) 2.211 17.556 ( 0.377 0.218 -0.918) 1.016 19.601 ( -3.154 -1.821 -11.899) 12.444 20.063 ( -10.156 -5.864 7.727) 14.044 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 23.055 13.311 7.353) 27.619 1.351 ( 24.658 14.236 4.980) 28.905 1.560 ( 28.469 16.437 10.931) 34.644 2.250 ( 5.625 3.247 2.785) 7.067 2.259 ( 6.298 3.636 -0.383) 7.283 2.501 ( 9.328 5.385 -3.516) 11.330 2.613 ( 11.869 6.853 -2.420) 13.917 2.962 ( 2.592 1.497 1.740) 3.462 3.168 ( 0.053 0.030 -0.519) 0.523 3.202 ( 0.970 0.560 -1.535) 1.900 3.429 ( 0.727 0.420 0.306) 0.893 3.563 ( -2.065 -1.192 1.865) 3.027 3.649 ( -2.209 -1.275 -1.746) 3.090 3.924 ( 0.521 0.301 -4.651) 4.689 3.960 ( 1.154 0.666 2.980) 3.265 4.033 ( 0.116 0.067 3.757) 3.759 4.166 ( 4.051 2.339 0.971) 4.777 4.287 ( -3.298 -1.904 -2.646) 4.637 4.367 ( -3.392 -1.958 0.463) 3.944 4.438 ( 0.514 0.296 0.236) 0.638 4.558 ( 1.096 0.633 1.019) 1.625 4.616 ( -0.652 -0.377 0.353) 0.832 5.085 ( -11.744 -6.781 -4.793) 14.383 5.762 ( -8.871 -5.122 -10.271) 14.506 5.876 ( 2.094 1.209 0.819) 2.553 6.189 ( -0.185 -0.107 1.570) 1.585 6.200 ( 0.399 0.231 -0.930) 1.038 6.433 ( 0.165 0.096 -0.470) 0.507 6.782 ( -1.005 -0.580 -2.983) 3.200 6.851 ( -0.355 -0.205 1.112) 1.186 8.767 ( -0.524 -0.303 -0.404) 0.728 8.824 ( 0.930 0.537 2.094) 2.353 8.939 ( -1.017 -0.587 1.608) 1.991 9.207 ( 1.254 0.724 10.802) 10.899 9.241 ( -3.082 -1.779 1.323) 3.797 9.307 ( 1.608 0.928 -7.675) 7.896 9.489 ( 2.998 1.731 3.899) 5.214 9.789 ( -4.633 -2.675 1.215) 5.486 10.276 ( 0.951 0.549 9.065) 9.131 10.306 ( -1.966 -1.135 -5.764) 6.195 10.347 ( -0.348 -0.201 -2.985) 3.012 11.118 ( 2.511 1.449 5.397) 6.127 11.235 ( -11.799 -6.812 -2.185) 13.798 11.522 ( 3.236 1.869 -3.811) 5.337 11.590 ( 0.040 0.023 -0.345) 0.348 11.744 ( 1.237 0.714 6.412) 6.569 11.781 ( -2.430 -1.403 -4.765) 5.530 11.963 ( 1.546 0.893 -4.356) 4.708 12.158 ( 1.245 0.719 1.695) 2.223 12.422 ( 5.948 3.434 3.704) 7.804 12.570 ( 9.864 5.695 3.246) 11.844 13.297 ( 1.778 1.026 -0.010) 2.053 16.166 ( 1.865 1.077 0.395) 2.189 16.485 ( -1.690 -0.976 -1.278) 2.333 16.745 ( 1.322 0.763 1.843) 2.393 17.433 ( 2.159 1.247 -2.721) 3.691 17.550 ( 3.078 1.777 3.579) 5.044 17.563 ( 0.584 0.337 -1.570) 1.709 19.432 ( -7.784 -4.494 -8.491) 12.365 19.779 ( -14.466 -8.352 2.801) 16.937 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 20.443 11.803 4.291) 23.993 1.886 ( 18.453 10.654 4.332) 21.744 2.218 ( 23.239 13.417 10.613) 28.856 2.391 ( 4.308 2.487 7.068) 8.643 2.424 ( 7.815 4.512 -1.547) 9.156 2.707 ( 7.988 4.612 -2.190) 9.480 2.868 ( 9.793 5.654 -6.703) 13.146 3.040 ( 3.289 1.899 2.795) 4.715 3.177 ( 1.435 0.828 -2.989) 3.418 3.209 ( 0.372 0.215 -2.267) 2.308 3.488 ( 3.640 2.102 1.596) 4.496 3.552 ( 1.167 0.674 0.913) 1.627 3.578 ( -3.267 -1.886 -0.496) 3.804 3.894 ( -0.846 -0.488 -4.633) 4.735 4.003 ( 1.298 0.749 3.409) 3.723 4.083 ( 2.148 1.240 2.978) 3.875 4.184 ( -4.363 -2.519 -2.509) 5.629 4.239 ( 2.265 1.307 0.110) 2.617 4.277 ( -4.114 -2.375 0.073) 4.751 4.452 ( -0.213 -0.123 1.024) 1.053 4.574 ( -0.177 -0.102 3.507) 3.513 4.599 ( -0.741 -0.428 -0.058) 0.858 4.776 ( -11.552 -6.670 -6.986) 15.058 5.467 ( -12.981 -7.494 -7.423) 16.726 5.931 ( 2.157 1.246 0.782) 2.611 6.191 ( -0.188 -0.108 1.700) 1.714 6.209 ( 0.575 0.332 -0.811) 1.048 6.435 ( 0.141 0.081 -0.511) 0.536 6.745 ( -1.071 -0.618 -3.186) 3.418 6.843 ( -0.594 -0.343 1.240) 1.417 8.754 ( -0.378 -0.218 -0.386) 0.582 8.849 ( 0.570 0.329 0.008) 0.658 8.923 ( -1.099 -0.634 4.933) 5.094 9.168 ( -3.183 -1.838 0.989) 3.806 9.220 ( -1.048 -0.605 -0.284) 1.243 9.376 ( 4.557 2.631 0.084) 5.263 9.584 ( 3.354 1.936 5.681) 6.875 9.700 ( -3.307 -1.910 0.746) 3.891 10.227 ( -2.556 -1.476 -7.017) 7.613 10.276 ( -1.965 -1.134 0.798) 2.405 10.365 ( 1.704 0.984 1.667) 2.579 10.949 ( -10.707 -6.181 -1.768) 12.489 11.207 ( 2.992 1.727 6.245) 7.137 11.588 ( 0.051 0.030 -1.345) 1.346 11.610 ( 5.280 3.048 -5.584) 8.268 11.710 ( -2.119 -1.224 -4.168) 4.834 11.792 ( 0.675 0.390 6.734) 6.779 12.012 ( 2.918 1.684 -1.080) 3.538 12.184 ( 0.541 0.312 1.075) 1.244 12.477 ( -0.149 -0.086 -1.364) 1.374 12.865 ( 11.358 6.558 6.049) 14.443 13.351 ( 2.646 1.528 -0.235) 3.065 16.219 ( 2.438 1.407 0.333) 2.834 16.443 ( -1.510 -0.872 -1.180) 2.105 16.785 ( 1.375 0.794 1.964) 2.525 17.393 ( -3.269 -1.887 0.400) 3.795 17.571 ( 0.546 0.316 -1.689) 1.803 17.718 ( 8.033 4.638 3.170) 9.803 19.181 ( -10.740 -6.201 -6.535) 14.018 19.447 ( -12.868 -7.429 -0.148) 14.859 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 14.953 8.633 -1.187) 17.307 2.228 ( 8.944 5.164 2.519) 10.631 2.476 ( 0.491 0.283 9.679) 9.696 2.614 ( 8.315 4.801 -1.439) 9.709 2.731 ( 15.719 9.075 10.448) 20.943 2.823 ( 1.895 1.094 -0.670) 2.289 2.991 ( 2.973 1.716 -6.199) 7.086 3.123 ( 1.347 0.778 6.571) 6.752 3.197 ( -1.002 -0.579 -5.194) 5.321 3.232 ( 5.344 3.085 -9.384) 11.231 3.497 ( -3.716 -2.145 2.528) 4.980 3.562 ( 1.919 1.108 2.502) 3.342 3.649 ( 5.877 3.393 -1.706) 6.997 3.865 ( -0.450 -0.260 -2.904) 2.950 4.030 ( -0.170 -0.098 2.022) 2.031 4.078 ( -3.525 -2.035 -1.666) 4.398 4.132 ( 1.004 0.580 3.625) 3.806 4.193 ( -2.375 -1.371 0.173) 2.748 4.288 ( 1.346 0.777 -1.831) 2.402 4.414 ( -3.841 -2.217 1.558) 4.700 4.508 ( -4.008 -2.314 0.838) 4.703 4.582 ( -0.588 -0.340 -0.314) 0.748 4.625 ( 0.875 0.505 -2.215) 2.435 5.122 ( -13.232 -7.639 -5.136) 16.118 5.977 ( 1.366 0.789 0.471) 1.646 6.192 ( -0.104 -0.060 1.120) 1.126 6.219 ( 0.426 0.246 -0.509) 0.708 6.436 ( 0.069 0.040 -0.328) 0.338 6.713 ( -0.705 -0.407 -2.096) 2.248 6.834 ( -0.475 -0.274 0.755) 0.933 8.747 ( -0.142 -0.082 -0.254) 0.303 8.843 ( -0.615 -0.355 -1.038) 1.258 8.930 ( -0.089 -0.051 4.755) 4.756 9.107 ( -2.070 -1.195 0.587) 2.461 9.194 ( -0.405 -0.234 -2.327) 2.373 9.481 ( 3.700 2.136 0.558) 4.308 9.633 ( -2.786 -1.608 1.832) 3.702 9.678 ( 2.619 1.512 5.124) 5.950 10.144 ( -2.202 -1.271 -5.812) 6.344 10.227 ( -1.531 -0.884 -2.267) 2.875 10.412 ( 1.648 0.951 1.327) 2.320 10.742 ( -6.195 -3.576 -0.175) 7.155 11.294 ( 2.298 1.327 5.013) 5.672 11.582 ( 0.030 0.017 -2.718) 2.718 11.655 ( -1.470 -0.849 -1.743) 2.432 11.712 ( 4.569 2.638 -5.276) 7.461 11.819 ( -0.311 -0.180 5.034) 5.047 12.080 ( 2.459 1.420 1.301) 3.123 12.193 ( 0.086 0.050 0.489) 0.499 12.442 ( -1.657 -0.957 -2.165) 2.890 13.100 ( 6.407 3.699 4.070) 8.444 13.409 ( 2.062 1.191 -0.400) 2.415 16.279 ( 2.467 1.424 0.213) 2.857 16.402 ( -1.650 -0.952 -0.734) 2.042 16.819 ( 0.880 0.508 1.283) 1.636 17.318 ( -2.752 -1.589 0.498) 3.216 17.576 ( 0.316 0.182 -1.113) 1.171 17.917 ( 7.172 4.141 3.381) 8.945 18.904 ( -9.862 -5.694 -4.080) 12.097 19.205 ( -6.891 -3.979 -1.380) 8.076 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 -0.000) 0.000 2.476 ( 0.000 0.000 -0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.984 ( -0.000 -0.000 -0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.127 ( -0.000 -0.000 -0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 -0.000) 0.000 3.444 ( 0.000 0.000 -0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 -0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.027 ( -0.000 -0.000 -0.000) 0.000 4.159 ( 0.000 0.000 -0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 -0.000) 0.000 4.643 ( 0.000 0.000 -0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 -0.000) 0.000 6.193 ( 0.000 0.000 -0.000) 0.000 6.224 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 -0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 -0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 -0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 -0.000) 0.000 9.186 ( 0.000 0.000 -0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 -0.000) 0.000 9.724 ( 0.000 0.000 -0.000) 0.000 10.102 ( 0.000 0.000 -0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 -0.000) 0.000 10.665 ( 0.000 0.000 -0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.575 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 -0.000) 0.000 11.818 ( -0.000 -0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 -0.000) 0.000 13.185 ( 0.000 0.000 -0.000) 0.000 13.435 ( 0.000 0.000 0.000) 0.000 16.321 ( -0.000 -0.000 0.000) 0.000 16.370 ( 0.000 0.000 0.000) 0.000 16.832 ( 0.000 0.000 0.000) 0.000 17.283 ( 0.000 0.000 -0.000) 0.000 17.578 ( 0.000 0.000 -0.000) 0.000 18.026 ( 0.000 0.000 -0.000) 0.000 18.760 ( 0.000 0.000 0.000) 0.000 19.120 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 26.348 14.860) 30.250 0.713 ( 0.000 31.366 7.102) 32.160 0.880 ( 0.000 33.302 24.692) 41.458 2.125 ( -0.000 4.523 -2.201) 5.029 2.139 ( 0.000 3.970 0.446) 3.995 2.338 ( -0.000 6.984 -0.224) 6.987 2.346 ( -0.000 9.089 -3.713) 9.818 2.912 ( 0.000 1.529 1.930) 2.463 3.167 ( -0.000 -0.250 -0.958) 0.990 3.180 ( -0.000 0.848 -0.602) 1.040 3.431 ( -0.000 -0.775 -0.372) 0.859 3.645 ( 0.000 -6.329 6.708) 9.222 3.687 ( -0.000 -0.921 -2.204) 2.389 3.916 ( 0.000 0.543 2.250) 2.314 3.927 ( 0.000 0.074 0.646) 0.651 4.045 ( 0.000 5.789 1.207) 5.914 4.072 ( 0.000 -2.396 2.952) 3.802 4.361 ( -0.000 -1.319 -0.614) 1.455 4.430 ( 0.000 -2.204 0.734) 2.323 4.441 ( -0.000 -0.527 -0.138) 0.545 4.500 ( -0.000 2.213 -1.329) 2.581 4.623 ( -0.000 -0.627 -0.293) 0.692 5.318 ( -0.000 -8.087 -5.196) 9.613 5.835 ( 0.000 1.375 0.942) 1.667 5.874 ( -0.000 4.346 -27.575) 27.915 6.183 ( -0.000 -0.465 -0.072) 0.471 6.209 ( 0.000 1.044 0.732) 1.275 6.429 ( -0.000 0.115 -0.547) 0.559 6.825 ( 0.000 0.102 0.870) 0.876 6.829 ( -0.000 -0.056 -3.619) 3.620 8.783 ( 0.000 -0.333 0.295) 0.445 8.797 ( 0.000 0.470 0.448) 0.649 8.955 ( 0.000 -0.635 0.545) 0.837 9.179 ( 0.000 -5.253 20.582) 21.242 9.238 ( -0.000 -2.599 -7.053) 7.517 9.326 ( -0.000 1.555 -2.427) 2.882 9.463 ( 0.000 1.506 6.996) 7.156 9.932 ( 0.000 -9.811 5.730) 11.362 10.229 ( 0.000 -1.086 14.152) 14.194 10.369 ( -0.000 -0.210 -1.380) 1.396 10.382 ( 0.000 -0.539 4.819) 4.849 11.044 ( 0.000 0.612 1.077) 1.239 11.482 ( 0.000 -4.649 3.408) 5.764 11.521 ( 0.000 -0.840 2.034) 2.201 11.589 ( -0.000 0.057 -0.188) 0.196 11.660 ( -0.000 -0.774 -1.616) 1.792 11.883 ( 0.000 -1.212 1.519) 1.943 11.988 ( -0.000 0.683 -7.370) 7.401 12.096 ( -0.000 1.081 -1.690) 2.006 12.199 ( 0.000 5.894 5.922) 8.355 12.400 ( 0.000 7.503 1.155) 7.591 13.286 ( 0.000 -0.273 4.241) 4.249 16.132 ( 0.000 1.172 0.661) 1.346 16.526 ( -0.000 -1.826 -1.697) 2.493 16.708 ( 0.000 0.550 0.120) 0.563 17.279 ( -0.000 9.883 -11.905) 15.472 17.537 ( -0.000 -2.146 -0.492) 2.202 17.561 ( -0.000 0.755 -0.057) 0.757 19.547 ( -0.000 -0.758 -16.501) 16.519 20.115 ( 0.000 -13.246 12.468) 18.191 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 12.629 22.297 11.381) 28.038 1.212 ( 15.648 25.299 7.053) 30.572 1.444 ( 15.009 27.644 20.830) 37.727 2.204 ( 2.917 4.319 1.372) 5.389 2.228 ( 4.312 6.885 -0.750) 8.158 2.455 ( 4.279 11.034 -4.176) 12.550 2.507 ( 7.054 9.089 -3.300) 11.969 2.949 ( 1.478 1.716 1.797) 2.891 3.163 ( -0.061 -0.295 -0.667) 0.732 3.197 ( 0.829 1.862 -1.344) 2.441 3.420 ( 0.166 -0.702 -0.640) 0.964 3.582 ( -1.800 -3.500 2.159) 4.490 3.660 ( -1.000 -1.024 -2.167) 2.597 3.916 ( -0.823 0.680 -2.069) 2.328 3.953 ( 1.447 1.146 1.753) 2.545 4.057 ( -0.426 -1.001 4.534) 4.662 4.133 ( 2.674 4.088 1.177) 5.025 4.318 ( -2.514 -1.410 -1.634) 3.314 4.403 ( -1.104 -1.956 -0.332) 2.270 4.419 ( -0.526 -1.230 0.484) 1.423 4.536 ( 1.858 0.539 -0.877) 2.124 4.613 ( -0.167 -1.053 -0.062) 1.068 5.141 ( -6.399 -10.290 -6.148) 13.588 5.774 ( -3.747 -3.953 -14.796) 15.767 5.868 ( 1.163 1.800 0.614) 2.229 6.180 ( 0.425 -0.636 -0.057) 0.767 6.217 ( -0.697 1.162 1.642) 2.129 6.429 ( 0.109 0.135 -0.771) 0.790 6.794 ( -1.521 0.264 -2.263) 2.739 6.846 ( 0.751 -0.380 0.682) 1.083 8.772 ( -0.587 -0.379 -0.220) 0.732 8.813 ( 1.146 -0.272 1.052) 1.579 8.948 ( -0.276 -0.914 1.185) 1.522 9.208 ( 1.879 -2.489 -6.028) 6.787 9.217 ( 1.292 -2.681 14.189) 14.498 9.314 ( -1.919 2.024 -2.880) 4.009 9.510 ( 0.947 2.696 5.540) 6.233 9.821 ( -3.193 -6.393 1.446) 7.291 10.263 ( 1.262 -2.166 2.283) 3.391 10.345 ( -2.255 -0.148 2.315) 3.235 10.363 ( -2.637 1.298 2.291) 3.727 11.077 ( 2.196 -0.877 2.773) 3.645 11.352 ( -8.010 -8.138 3.023) 11.812 11.493 ( -0.289 0.898 -3.515) 3.639 11.597 ( 0.032 2.056 2.504) 3.240 11.685 ( 3.278 -2.912 -3.278) 5.474 11.874 ( -1.668 3.792 -1.285) 4.338 11.976 ( -2.201 3.242 -0.782) 3.996 12.121 ( 3.237 0.536 1.489) 3.603 12.390 ( 7.118 8.593 5.838) 12.593 12.488 ( 3.430 3.842 -0.113) 5.152 13.297 ( -0.128 1.405 1.765) 2.260 16.158 ( 0.871 1.707 0.881) 2.109 16.490 ( -0.971 -1.659 -2.022) 2.790 16.738 ( 1.795 1.080 1.032) 2.335 17.388 ( 4.315 7.130 -5.969) 10.252 17.501 ( -0.122 -3.703 0.086) 3.706 17.584 ( 1.057 1.921 -0.149) 2.198 19.434 ( -3.415 -5.907 -11.833) 13.659 19.911 ( -9.972 -13.221 7.270) 18.086 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 15.506 17.546 7.291) 24.525 1.758 ( 15.796 19.868 6.180) 26.123 2.058 ( 17.667 19.835 16.848) 31.455 2.320 ( 5.006 2.738 3.131) 6.509 2.404 ( 5.671 8.384 1.545) 10.239 2.657 ( 5.598 11.946 -4.347) 13.890 2.728 ( 9.676 6.826 -6.324) 13.424 3.012 ( 3.060 2.193 0.397) 3.786 3.154 ( -0.321 -0.352 0.085) 0.483 3.230 ( 0.240 3.623 -2.455) 4.383 3.437 ( 3.035 0.111 -1.199) 3.265 3.545 ( -0.189 -1.369 1.071) 1.748 3.617 ( -2.171 -0.511 -0.631) 2.318 3.888 ( -1.151 -0.410 -2.756) 3.014 4.005 ( 1.744 1.568 1.934) 3.040 4.079 ( 0.859 1.028 3.915) 4.138 4.204 ( 1.666 0.408 0.065) 1.717 4.237 ( -3.815 -0.979 -2.037) 4.435 4.331 ( -4.045 -1.907 -0.019) 4.472 4.427 ( 2.144 -1.753 0.912) 2.916 4.556 ( 1.153 -1.467 -0.813) 2.036 4.596 ( -0.086 -1.384 -0.199) 1.401 4.864 ( -9.886 -9.738 -5.446) 14.907 5.550 ( -9.015 -8.246 -9.508) 15.482 5.915 ( 1.703 1.764 0.617) 2.529 6.185 ( 0.752 -0.504 0.130) 0.914 6.221 ( -0.837 1.149 1.562) 2.112 6.430 ( 0.169 0.075 -0.858) 0.877 6.762 ( -1.758 0.721 -2.150) 2.869 6.850 ( -0.146 -0.562 1.548) 1.654 8.757 ( -0.466 -0.392 -0.438) 0.750 8.834 ( 1.255 -0.557 0.530) 1.472 8.937 ( -0.255 -1.615 3.138) 3.538 9.172 ( 0.037 -3.285 -2.807) 4.321 9.246 ( -2.271 -0.819 4.076) 4.737 9.332 ( 3.171 2.659 0.902) 4.235 9.591 ( 2.168 3.283 5.027) 6.383 9.718 ( -2.222 -4.412 -0.465) 4.961 10.218 ( -1.327 -3.164 -6.345) 7.213 10.310 ( -2.324 0.690 -4.606) 5.205 10.362 ( -0.703 -0.183 11.140) 11.163 11.022 ( -6.464 -8.597 -1.936) 10.929 11.207 ( -0.532 -0.728 8.317) 8.366 11.536 ( 4.387 2.735 -6.169) 8.048 11.610 ( -1.611 0.801 -0.398) 1.843 11.685 ( 0.693 -0.198 -0.621) 0.951 11.888 ( -2.353 5.998 -0.471) 6.460 11.993 ( 0.347 2.788 2.020) 3.460 12.199 ( 2.166 2.804 1.887) 4.014 12.480 ( -0.919 1.057 -0.873) 1.650 12.724 ( 12.638 5.501 4.819) 14.601 13.329 ( 1.313 1.653 1.168) 2.413 16.202 ( 1.562 1.983 0.836) 2.659 16.449 ( -1.040 -1.224 -1.777) 2.395 16.793 ( 1.511 2.659 1.594) 3.449 17.418 ( -2.257 -2.398 -0.684) 3.364 17.528 ( 4.109 0.588 -3.060) 5.157 17.660 ( 4.485 4.664 1.252) 6.590 19.227 ( -6.744 -8.546 -9.779) 14.633 19.588 ( -12.927 -11.818 4.417) 18.063 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 13.587 12.228 1.756) 18.364 2.184 ( 8.965 14.129 4.841) 17.419 2.445 ( 5.717 0.488 6.451) 8.633 2.538 ( 9.428 7.919 8.642) 15.043 2.640 ( 10.786 13.792 6.175) 18.566 2.806 ( 2.281 4.422 -2.781) 5.700 2.922 ( 6.399 6.117 -6.223) 10.821 3.114 ( 4.916 3.639 -5.078) 7.949 3.140 ( -0.963 -0.454 3.022) 3.204 3.257 ( -1.066 4.987 -3.991) 6.476 3.509 ( 3.376 -0.703 -1.824) 3.901 3.552 ( 1.080 0.655 1.574) 2.018 3.597 ( 0.951 2.411 0.437) 2.628 3.859 ( -0.576 0.020 -2.067) 2.146 4.047 ( 0.156 0.874 2.084) 2.266 4.119 ( 1.063 -0.252 2.887) 3.087 4.130 ( -4.343 -1.375 -2.109) 5.021 4.227 ( -1.213 -1.354 -1.423) 2.309 4.253 ( -0.042 -0.770 0.632) 0.996 4.432 ( -0.587 -2.019 0.791) 2.246 4.541 ( 0.943 -4.091 -3.248) 5.308 4.589 ( -8.274 -6.307 0.944) 10.446 4.596 ( 1.322 -0.728 -1.244) 1.956 5.238 ( -11.711 -9.463 -6.512) 16.405 5.962 ( 1.540 1.220 0.020) 1.965 6.196 ( 0.600 -0.046 0.475) 0.767 6.223 ( -0.666 0.833 0.901) 1.396 6.430 ( 0.205 -0.114 -0.746) 0.782 6.734 ( -1.724 1.349 -1.146) 2.471 6.843 ( -0.582 -0.676 1.697) 1.917 8.744 ( -0.235 -0.509 -0.428) 0.705 8.846 ( 0.382 0.186 -1.074) 1.155 8.930 ( 0.221 -2.495 4.200) 4.891 9.134 ( -1.012 -1.392 0.157) 1.728 9.196 ( -2.209 -0.311 -1.554) 2.719 9.431 ( 4.087 1.367 1.858) 4.693 9.648 ( -0.982 -3.287 0.466) 3.462 9.674 ( 1.645 1.601 3.596) 4.266 10.144 ( -0.745 -1.751 -6.628) 6.896 10.249 ( -2.815 1.625 -8.775) 9.357 10.394 ( 0.582 -1.720 11.346) 11.490 10.802 ( -6.775 -7.179 0.552) 9.887 11.264 ( 2.831 -0.687 6.246) 6.891 11.559 ( -0.373 -3.304 -2.698) 4.282 11.646 ( 3.949 5.247 -5.611) 8.638 11.705 ( -0.891 4.835 -0.638) 4.958 11.902 ( -2.920 5.437 0.785) 6.221 12.046 ( 1.635 0.990 4.566) 4.950 12.260 ( -0.957 5.799 0.893) 5.945 12.441 ( -1.501 -2.468 -1.268) 3.155 12.986 ( 10.207 1.720 2.581) 10.668 13.379 ( 2.078 0.806 1.243) 2.552 16.257 ( 1.986 1.860 0.590) 2.784 16.414 ( -1.144 -1.036 -1.106) 1.899 16.850 ( 0.007 4.398 1.160) 4.548 17.338 ( -2.480 -3.486 -0.501) 4.307 17.568 ( 1.368 0.600 -2.298) 2.741 17.832 ( 7.680 4.626 1.771) 9.138 18.965 ( -8.073 -9.732 -6.978) 14.442 19.289 ( -9.543 -8.118 2.644) 12.805 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 7.196 4.958 -4.299) 9.739 2.382 ( 0.523 6.583 2.380) 7.019 2.528 ( -0.865 -0.717 9.500) 9.566 2.738 ( 3.894 6.353 0.425) 7.464 2.839 ( -0.067 1.435 -0.192) 1.449 2.970 ( 5.596 6.508 2.370) 8.904 3.017 ( 2.609 3.412 3.634) 5.626 3.061 ( -2.287 -3.768 -8.470) 9.548 3.233 ( -1.600 3.741 2.041) 4.552 3.276 ( 2.902 4.831 -4.491) 7.207 3.503 ( -2.969 1.654 2.581) 4.268 3.590 ( 0.909 0.768 0.340) 1.238 3.699 ( 4.619 2.784 -2.251) 5.844 3.850 ( -0.327 -0.040 -0.413) 0.528 4.037 ( -1.147 -0.324 0.970) 1.537 4.047 ( -2.549 -0.265 -1.022) 2.759 4.115 ( 0.137 -4.100 1.110) 4.250 4.213 ( 0.350 2.554 0.456) 2.618 4.262 ( -0.027 -1.040 -0.849) 1.342 4.345 ( -3.297 -4.277 -0.861) 5.469 4.486 ( 2.833 -1.093 0.518) 3.081 4.548 ( 1.279 -2.335 0.326) 2.683 4.612 ( 1.933 -2.019 -0.020) 2.795 4.947 ( -7.428 -5.509 -3.054) 9.739 5.990 ( 0.660 0.443 -0.597) 0.994 6.204 ( -0.408 0.648 0.263) 0.810 6.224 ( -0.024 0.132 0.566) 0.581 6.430 ( 0.304 -0.310 -0.470) 0.640 6.723 ( -1.243 1.848 0.509) 2.284 6.832 ( -0.425 -0.579 1.357) 1.535 8.736 ( 0.193 -0.701 -0.292) 0.784 8.848 ( -0.456 1.542 -1.236) 2.029 8.920 ( 0.427 -2.718 1.474) 3.121 9.102 ( -1.842 0.196 0.674) 1.971 9.173 ( 0.667 -0.740 -0.486) 1.109 9.505 ( 2.946 0.827 -2.001) 3.656 9.601 ( -1.546 -3.018 2.670) 4.316 9.706 ( 1.036 -1.299 0.239) 1.679 10.124 ( 0.001 1.712 -1.218) 2.101 10.197 ( -0.498 2.403 -11.448) 11.708 10.424 ( 0.518 -2.945 10.807) 11.213 10.663 ( -2.245 -4.426 2.326) 5.481 11.308 ( 1.379 -1.826 1.153) 2.562 11.522 ( 1.798 -4.224 -0.423) 4.610 11.696 ( -2.788 5.949 -0.356) 6.580 11.779 ( 2.243 7.053 -6.007) 9.532 11.894 ( -4.133 3.900 1.995) 6.023 12.086 ( 0.722 -1.284 3.716) 3.997 12.288 ( -3.449 7.163 -0.711) 7.982 12.395 ( 0.358 -3.158 2.453) 4.015 13.121 ( 5.053 -2.630 -1.602) 5.918 13.418 ( 1.387 -0.671 1.507) 2.155 16.309 ( 1.645 1.097 0.250) 1.993 16.379 ( -1.200 -0.727 -0.226) 1.421 16.884 ( -2.148 5.272 0.062) 5.693 17.272 ( -0.615 -2.423 -1.059) 2.715 17.584 ( 0.545 0.489 -0.569) 0.927 17.995 ( 4.134 2.912 -1.065) 5.168 18.741 ( -2.688 -7.760 -1.955) 8.442 19.125 ( -2.770 -3.739 2.107) 5.108 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -4.952 1.767 -1.756) 5.543 2.358 ( -8.765 -3.521 3.373) 10.030 2.450 ( -4.601 -0.650 -3.970) 6.112 2.732 ( -8.486 -2.470 -1.497) 8.964 2.820 ( -1.118 -0.546 -2.833) 3.094 2.911 ( -9.524 0.409 -4.385) 10.493 3.022 ( 1.193 0.718 1.787) 2.266 3.118 ( -0.591 1.010 0.275) 1.203 3.220 ( -1.435 1.068 2.440) 3.026 3.358 ( -2.181 1.985 8.336) 8.842 3.470 ( -1.214 3.276 -3.453) 4.912 3.580 ( -1.972 -0.628 -1.559) 2.592 3.711 ( -3.846 -2.345 0.103) 4.505 3.861 ( 1.239 0.486 1.577) 2.063 4.026 ( 0.384 0.784 -1.075) 1.385 4.059 ( 1.866 2.246 0.936) 3.066 4.093 ( 2.162 -2.528 -2.349) 4.072 4.208 ( -2.255 1.937 -0.459) 3.008 4.277 ( 1.662 -1.784 2.170) 3.264 4.338 ( 4.863 0.883 -1.918) 5.302 4.486 ( -0.573 -2.856 -0.162) 2.917 4.543 ( 1.452 -2.923 -0.396) 3.288 4.616 ( 1.413 -1.652 0.802) 2.317 4.979 ( 10.747 4.452 2.510) 11.900 5.989 ( -0.678 -0.184 -0.845) 1.099 6.198 ( -0.728 0.651 -0.791) 1.257 6.226 ( -0.175 -0.161 0.997) 1.025 6.432 ( 0.363 -0.290 -0.123) 0.481 6.732 ( -0.482 1.939 2.114) 2.908 6.827 ( 0.058 -0.326 0.562) 0.652 8.737 ( 0.691 -0.444 -0.068) 0.825 8.855 ( -0.429 1.886 -0.251) 1.951 8.897 ( 0.255 -2.556 -2.282) 3.436 9.093 ( 0.440 0.975 -0.732) 1.296 9.187 ( 1.068 -0.584 1.822) 2.191 9.511 ( -2.491 -1.880 -1.546) 3.483 9.579 ( 2.884 -0.699 -0.743) 3.059 9.691 ( -1.170 -0.773 -2.303) 2.697 10.151 ( 0.419 2.238 2.454) 3.347 10.211 ( 2.599 2.785 -8.404) 9.227 10.412 ( -1.270 -4.947 9.158) 10.486 10.667 ( 4.227 -0.029 3.215) 5.311 11.275 ( -0.999 -3.285 -4.355) 5.546 11.539 ( 3.819 -3.501 2.391) 5.706 11.697 ( -3.302 5.139 -0.398) 6.121 11.831 ( -5.586 5.670 -0.691) 7.989 11.856 ( -1.676 3.438 -0.521) 3.860 12.067 ( -0.743 -2.934 0.495) 3.066 12.281 ( -3.837 4.917 -1.397) 6.392 12.421 ( 1.920 0.261 6.112) 6.411 13.099 ( -0.987 -5.984 -5.378) 8.106 13.419 ( -0.460 -1.956 1.485) 2.499 16.307 ( -1.877 -0.924 -0.100) 2.095 16.384 ( 1.487 0.757 0.576) 1.765 16.878 ( -3.910 4.406 -0.989) 5.973 17.270 ( 2.594 -0.549 -1.538) 3.065 17.594 ( -0.171 0.510 1.245) 1.356 17.970 ( -5.167 -2.512 -5.367) 7.862 18.770 ( 9.788 -0.293 2.912) 10.216 19.128 ( 4.374 -0.314 2.760) 5.181 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -20.808 -6.388 -0.421) 21.770 2.145 ( -17.761 -1.166 -2.289) 17.946 2.376 ( -1.660 -2.659 -5.579) 6.399 2.450 ( -16.442 -8.428 -5.132) 19.176 2.614 ( -14.384 -0.021 -0.237) 14.386 2.828 ( -5.199 1.581 0.854) 5.500 2.988 ( -6.413 -3.503 5.320) 9.038 3.071 ( -2.876 -0.060 -4.380) 5.240 3.190 ( -2.377 -2.046 4.078) 5.144 3.301 ( -5.781 2.405 3.364) 7.108 3.516 ( -2.912 -0.968 -3.502) 4.657 3.528 ( 2.741 0.710 0.740) 2.927 3.592 ( -3.604 -1.676 -0.723) 4.039 3.886 ( 1.095 -0.703 2.595) 2.903 4.028 ( -1.603 1.321 -1.293) 2.447 4.086 ( -0.202 -1.004 -2.882) 3.059 4.152 ( 3.774 3.107 1.880) 5.237 4.241 ( 2.672 2.866 0.512) 3.952 4.250 ( -1.014 -2.834 0.704) 3.091 4.419 ( 2.425 -0.692 -1.561) 2.966 4.520 ( 3.587 0.347 -4.601) 5.844 4.561 ( 3.941 -1.445 0.169) 4.201 4.672 ( 6.468 1.283 5.726) 8.733 5.297 ( 15.618 5.365 4.075) 17.009 5.958 ( -1.969 -0.471 -0.716) 2.147 6.189 ( -0.434 0.338 -1.170) 1.293 6.221 ( -0.519 -0.148 0.958) 1.100 6.435 ( 0.185 -0.144 0.140) 0.273 6.758 ( 0.187 1.672 3.030) 3.465 6.830 ( 0.475 -0.260 -0.616) 0.820 8.748 ( 0.663 0.030 0.250) 0.709 8.853 ( -0.836 -1.316 -0.415) 1.613 8.883 ( 1.582 0.416 -3.274) 3.660 9.129 ( 2.384 1.216 -0.932) 2.834 9.203 ( 0.664 -0.768 0.182) 1.031 9.427 ( -3.551 -2.011 0.423) 4.103 9.632 ( -3.177 0.530 -3.229) 4.561 9.641 ( 3.287 0.454 -1.489) 3.637 10.206 ( 2.625 1.463 1.579) 3.395 10.255 ( 2.037 0.906 -3.952) 4.538 10.369 ( -1.148 -3.461 6.454) 7.413 10.820 ( 9.358 2.871 4.089) 10.608 11.194 ( -1.550 -3.653 -6.239) 7.394 11.585 ( 2.912 -1.624 1.842) 3.809 11.681 ( -2.076 1.605 -1.215) 2.892 11.732 ( -7.456 -0.316 4.744) 8.843 11.875 ( -3.184 7.843 -2.809) 8.919 12.025 ( -0.970 -2.193 0.770) 2.519 12.243 ( -3.718 1.882 -1.591) 4.461 12.484 ( 0.630 2.063 5.572) 5.975 12.932 ( -6.951 -7.903 -6.943) 12.609 13.378 ( -1.989 -2.033 0.832) 2.963 16.254 ( -2.743 -0.914 -0.044) 2.891 16.424 ( 1.776 0.540 0.687) 1.980 16.834 ( -4.152 2.374 -1.499) 5.012 17.332 ( 4.482 0.730 -1.401) 4.752 17.594 ( -1.200 0.140 2.295) 2.594 17.795 ( -7.220 -3.760 -4.909) 9.506 19.024 ( 13.903 3.165 3.078) 14.587 19.287 ( 11.003 2.037 2.694) 11.510 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -25.361 -5.054 -2.507) 25.980 1.713 ( -26.012 -3.548 -2.044) 26.333 1.944 ( -28.304 -6.504 -3.661) 29.271 2.288 ( -3.740 -2.229 -2.126) 4.846 2.397 ( -10.386 -0.473 0.073) 10.397 2.687 ( -12.057 1.403 1.000) 12.180 2.778 ( -11.885 -5.605 2.396) 13.357 2.999 ( -3.310 -0.615 -1.302) 3.610 3.162 ( 0.008 -0.772 0.820) 1.126 3.251 ( -3.565 1.260 1.261) 3.986 3.440 ( -1.937 -1.275 -0.809) 2.456 3.532 ( 0.979 -0.284 -0.843) 1.322 3.623 ( 2.674 1.346 0.537) 3.042 3.911 ( 1.676 -0.884 1.197) 2.241 4.000 ( -2.666 1.070 1.368) 3.182 4.038 ( -1.992 -0.645 -3.396) 3.990 4.203 ( -2.173 -1.396 -0.062) 2.584 4.257 ( 3.482 2.137 1.511) 4.356 4.331 ( 3.363 2.847 0.158) 4.409 4.416 ( 0.857 -2.513 -0.992) 2.834 4.549 ( 1.132 -0.387 -1.344) 1.799 4.595 ( 1.449 -0.405 -0.170) 1.514 4.914 ( 13.740 2.692 2.775) 14.274 5.626 ( 13.942 3.140 3.745) 14.773 5.910 ( -2.563 -0.332 -0.390) 2.614 6.183 ( -0.065 0.047 -0.747) 0.751 6.213 ( -0.558 0.042 0.558) 0.791 6.436 ( -0.060 -0.054 0.171) 0.189 6.791 ( 0.414 1.252 2.969) 3.249 6.832 ( 0.756 -0.525 -1.670) 1.907 8.761 ( 0.538 0.206 0.350) 0.674 8.822 ( -0.592 -0.949 -1.577) 1.933 8.913 ( 1.791 0.392 -0.945) 2.063 9.182 ( -0.956 -1.652 -3.295) 3.808 9.189 ( 3.362 0.864 -0.918) 3.591 9.362 ( -2.938 -0.563 2.885) 4.156 9.552 ( -4.647 1.037 -1.890) 5.122 9.717 ( 4.611 0.345 -0.682) 4.674 10.252 ( 0.490 0.094 -6.056) 6.076 10.282 ( 2.741 -1.004 4.916) 5.717 10.362 ( -0.027 0.277 2.881) 2.894 11.059 ( 9.206 1.762 4.974) 10.611 11.124 ( 2.337 -0.899 -6.608) 7.066 11.588 ( -3.439 -0.283 -0.114) 3.452 11.617 ( -3.929 -1.065 3.939) 5.664 11.681 ( 2.079 -0.836 -2.078) 3.056 11.887 ( -3.709 7.417 0.140) 8.294 11.995 ( -1.125 -1.136 2.105) 2.643 12.177 ( -3.151 -1.393 -1.727) 3.854 12.505 ( -3.651 2.834 3.428) 5.754 12.663 ( -10.258 -7.681 -6.038) 14.167 13.325 ( -2.165 -0.977 0.347) 2.401 16.197 ( -2.614 -0.513 -0.086) 2.665 16.462 ( 1.866 0.324 0.544) 1.970 16.777 ( -3.215 0.622 -1.137) 3.467 17.418 ( 4.187 1.040 -0.452) 4.338 17.553 ( -3.723 -2.609 1.102) 4.678 17.640 ( -5.129 -0.185 -2.053) 5.527 19.303 ( 12.440 2.187 2.746) 12.925 19.562 ( 15.536 2.849 0.732) 15.812 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -27.946 -0.000 0.000) 27.946 1.173 ( -30.861 -0.000 0.000) 30.861 1.330 ( -34.751 -0.000 0.000) 34.751 2.195 ( -4.578 -0.000 0.000) 4.578 2.231 ( -7.733 -0.000 0.000) 7.733 2.478 ( -11.372 -0.000 0.000) 11.372 2.527 ( -12.202 -0.000 0.000) 12.202 2.939 ( -2.692 -0.000 0.000) 2.692 3.167 ( 0.474 0.000 -0.000) 0.474 3.204 ( -2.228 -0.000 0.000) 2.228 3.424 ( 0.324 0.000 -0.000) 0.324 3.567 ( 2.962 0.000 -0.000) 2.962 3.672 ( 1.891 0.000 -0.000) 1.891 3.927 ( 0.372 0.000 -0.000) 0.372 3.945 ( -3.644 -0.000 0.000) 3.644 4.030 ( 1.622 0.000 -0.000) 1.622 4.126 ( -5.136 -0.000 0.000) 5.136 4.327 ( 2.653 0.000 -0.000) 2.653 4.404 ( 2.433 0.000 -0.000) 2.433 4.415 ( 1.250 0.000 -0.000) 1.250 4.540 ( -1.485 -0.000 0.000) 1.485 4.614 ( 0.936 0.000 -0.000) 0.936 5.176 ( 12.590 0.000 -0.000) 12.590 5.848 ( 2.975 0.000 -0.000) 2.975 5.879 ( 4.647 0.000 -0.000) 4.647 6.183 ( 0.174 0.000 -0.000) 0.174 6.206 ( -0.358 -0.000 0.000) 0.358 6.434 ( -0.156 -0.000 0.000) 0.156 6.811 ( 0.326 0.000 -0.000) 0.326 6.839 ( 0.869 0.000 -0.000) 0.869 8.773 ( 0.549 0.000 -0.000) 0.549 8.804 ( -0.649 -0.000 0.000) 0.649 8.941 ( 1.199 0.000 -0.000) 1.199 9.130 ( -2.333 -0.000 0.000) 2.333 9.253 ( 3.278 0.000 -0.000) 3.278 9.324 ( -1.468 -0.000 0.000) 1.468 9.479 ( -3.870 -0.000 0.000) 3.870 9.810 ( 5.731 0.000 -0.000) 5.731 10.222 ( -2.225 -0.000 0.000) 2.225 10.334 ( 2.340 0.000 -0.000) 2.340 10.373 ( 0.172 0.000 -0.000) 0.172 11.061 ( -1.119 -0.000 0.000) 1.119 11.333 ( 11.537 0.000 -0.000) 11.537 11.518 ( -2.484 -0.000 0.000) 2.484 11.580 ( -0.569 -0.000 0.000) 0.569 11.706 ( 0.521 0.000 -0.000) 0.521 11.882 ( -1.939 -0.000 0.000) 1.939 11.980 ( 0.092 0.000 -0.000) 0.092 12.112 ( -1.784 -0.000 0.000) 1.784 12.355 ( -12.627 -0.000 0.000) 12.627 12.489 ( -5.060 -0.000 0.000) 5.060 13.287 ( -1.639 -0.000 0.000) 1.639 16.153 ( -1.946 -0.000 0.000) 1.946 16.501 ( 2.105 0.000 -0.000) 2.105 16.732 ( -1.876 -0.000 0.000) 1.876 17.427 ( -6.937 -0.000 0.000) 6.937 17.497 ( 3.476 0.000 -0.000) 3.476 17.584 ( -2.005 -0.000 0.000) 2.005 19.514 ( 9.043 0.000 -0.000) 9.043 19.859 ( 14.782 0.000 -0.000) 14.782 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 24.224 13.367) 27.667 1.374 ( 0.000 27.578 7.060) 28.467 1.707 ( 0.000 29.980 22.787) 37.657 2.242 ( 0.000 4.693 1.725) 5.000 2.259 ( -0.000 9.375 -0.751) 9.405 2.497 ( -0.000 9.023 -3.625) 9.724 2.567 ( -0.000 15.346 -6.460) 16.650 2.954 ( 0.000 0.976 0.286) 1.018 3.167 ( 0.000 1.266 0.418) 1.334 3.201 ( -0.000 1.902 -1.664) 2.527 3.406 ( -0.000 -0.875 -1.394) 1.646 3.566 ( 0.000 -3.834 1.257) 4.035 3.646 ( -0.000 -1.312 -2.231) 2.589 3.937 ( 0.000 0.346 1.019) 1.077 3.955 ( -0.000 2.710 -2.519) 3.700 4.053 ( 0.000 -1.881 5.915) 6.206 4.168 ( 0.000 4.592 1.044) 4.710 4.315 ( -0.000 -2.727 -0.483) 2.770 4.368 ( 0.000 -4.219 0.771) 4.288 4.429 ( -0.000 -0.463 -0.548) 0.717 4.514 ( -0.000 0.200 -3.320) 3.326 4.606 ( -0.000 -0.713 -0.409) 0.822 5.061 ( -0.000 -11.454 -5.936) 12.901 5.712 ( -0.000 -5.763 -13.296) 14.491 5.877 ( 0.000 1.833 0.944) 2.062 6.168 ( -0.000 -0.791 -0.169) 0.808 6.245 ( 0.000 1.243 2.390) 2.694 6.427 ( -0.000 0.161 -0.969) 0.982 6.811 ( -0.000 0.618 -1.676) 1.787 6.837 ( 0.000 0.216 1.439) 1.455 8.775 ( 0.000 -0.655 0.279) 0.711 8.792 ( -0.000 -0.798 -0.852) 1.167 8.942 ( 0.000 -1.286 0.855) 1.545 9.142 ( -0.000 -2.130 -5.159) 5.581 9.235 ( 0.000 -1.456 13.262) 13.341 9.346 ( -0.000 2.427 -3.810) 4.518 9.528 ( 0.000 0.256 5.457) 5.463 9.778 ( 0.000 -7.356 -0.209) 7.359 10.232 ( -0.000 -3.030 -1.340) 3.313 10.350 ( -0.000 -0.248 -2.276) 2.289 10.455 ( 0.000 2.085 11.116) 11.310 11.071 ( 0.000 1.041 1.640) 1.942 11.335 ( 0.000 -11.803 5.547) 13.042 11.499 ( -0.000 -1.497 -8.038) 8.176 11.591 ( -0.000 0.406 -0.251) 0.477 11.659 ( 0.000 5.128 3.170) 6.028 11.869 ( 0.000 -1.519 2.440) 2.875 12.060 ( 0.000 4.830 1.708) 5.123 12.103 ( -0.000 1.073 -2.669) 2.877 12.435 ( 0.000 11.568 5.642) 12.871 12.516 ( -0.000 4.362 -1.210) 4.526 13.328 ( 0.000 2.089 2.153) 3.000 16.175 ( 0.000 2.298 1.359) 2.669 16.472 ( -0.000 -1.622 -2.379) 2.879 16.725 ( 0.000 0.887 0.192) 0.908 17.412 ( -0.000 7.633 -5.852) 9.618 17.464 ( -0.000 -3.400 -1.408) 3.680 17.581 ( -0.000 1.247 -0.075) 1.249 19.356 ( -0.000 -7.839 -10.207) 12.870 19.882 ( 0.000 -15.265 6.942) 16.769 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.500 21.132 9.779) 24.175 1.770 ( 10.239 23.132 7.320) 26.335 2.142 ( 6.732 24.239 20.087) 32.192 2.307 ( 1.787 4.020 3.059) 5.359 2.407 ( 4.460 10.043 0.707) 11.011 2.630 ( 6.285 8.056 -5.950) 11.824 2.723 ( 1.744 15.228 -6.690) 16.724 2.978 ( 2.268 1.223 -2.140) 3.349 3.178 ( -0.979 1.478 2.037) 2.700 3.241 ( 2.013 3.681 -2.059) 4.673 3.392 ( 0.311 -0.891 -2.301) 2.486 3.532 ( -0.058 -1.818 -0.007) 1.819 3.628 ( -0.032 -1.000 -0.671) 1.205 3.914 ( -2.226 0.439 -0.364) 2.298 3.994 ( 1.532 1.851 -0.294) 2.421 4.076 ( 1.488 -0.540 4.106) 4.400 4.208 ( -0.430 2.242 0.259) 2.298 4.267 ( -1.697 -2.778 -0.556) 3.303 4.339 ( 1.019 -4.068 0.387) 4.211 4.396 ( -1.697 -1.256 -1.232) 2.445 4.507 ( 1.088 -1.474 -3.512) 3.961 4.589 ( -0.776 -1.044 -0.371) 1.353 4.882 ( -5.281 -9.903 -3.465) 11.746 5.548 ( -4.794 -9.724 -9.564) 14.457 5.909 ( 1.128 1.557 0.378) 1.960 6.166 ( 0.650 -0.660 -0.076) 0.930 6.258 ( -0.864 1.250 2.234) 2.702 6.425 ( 0.074 0.125 -1.017) 1.028 6.801 ( -1.603 1.627 -0.594) 2.360 6.851 ( 0.309 -0.116 1.746) 1.777 8.759 ( -0.530 -0.651 -0.455) 0.955 8.798 ( 1.583 -1.196 -0.430) 2.030 8.929 ( -0.056 -1.826 1.361) 2.278 9.117 ( 0.959 -1.946 -3.309) 3.956 9.280 ( 0.632 -0.717 10.555) 10.599 9.339 ( -1.125 2.562 -3.706) 4.644 9.577 ( 3.103 0.432 3.652) 4.812 9.689 ( -1.216 -6.215 -1.569) 6.525 10.168 ( -1.025 -5.488 -4.944) 7.457 10.332 ( -0.941 0.353 -3.325) 3.474 10.482 ( -4.293 3.758 11.768) 13.078 11.040 ( -4.750 -3.724 -1.375) 6.191 11.234 ( -0.917 -5.754 10.033) 11.602 11.466 ( 2.647 0.543 -7.879) 8.329 11.609 ( -0.216 -1.509 -2.507) 2.934 11.725 ( -0.074 6.187 3.566) 7.142 11.907 ( 3.354 0.525 -0.070) 3.395 12.059 ( -1.682 2.952 2.483) 4.208 12.176 ( 3.705 3.378 0.668) 5.058 12.526 ( -2.002 2.193 -2.440) 3.843 12.633 ( 6.071 9.306 5.538) 12.415 13.353 ( -0.556 2.652 1.828) 3.269 16.211 ( 0.544 2.560 1.399) 2.968 16.444 ( -0.558 -1.148 -2.134) 2.486 16.772 ( 3.520 1.665 0.666) 3.950 17.395 ( -0.028 -6.095 -1.623) 6.307 17.494 ( 0.818 6.310 -4.582) 7.841 17.628 ( 3.519 2.298 0.096) 4.204 19.196 ( -4.093 -9.497 -8.427) 13.340 19.671 ( -8.309 -13.624 5.325) 16.823 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 8.435 15.287 4.135) 17.942 2.206 ( 10.339 18.198 6.266) 21.848 2.393 ( 3.814 2.444 6.179) 7.661 2.529 ( 5.703 10.597 11.750) 16.819 2.632 ( 8.166 13.849 3.443) 16.442 2.777 ( 4.354 2.714 -5.348) 7.411 2.895 ( 4.378 12.780 -4.292) 14.175 3.057 ( 3.832 4.627 -6.680) 8.984 3.185 ( -0.950 1.450 5.186) 5.468 3.309 ( -0.125 5.556 -2.726) 6.190 3.402 ( 4.804 -1.013 -4.331) 6.547 3.537 ( 1.303 0.462 -0.313) 1.418 3.624 ( -0.185 0.723 1.695) 1.852 3.882 ( -1.778 0.823 -0.118) 1.963 4.032 ( 1.631 -0.518 0.257) 1.731 4.112 ( 1.493 -0.383 2.258) 2.734 4.173 ( -3.179 -1.532 -1.651) 3.895 4.220 ( -1.411 -0.806 -0.121) 1.630 4.279 ( -2.750 -2.636 -1.456) 4.079 4.394 ( 3.166 -1.858 0.393) 3.692 4.480 ( -0.853 -2.577 -3.691) 4.582 4.564 ( -0.050 -1.405 -0.860) 1.649 4.667 ( -7.601 -7.619 1.280) 10.838 5.286 ( -8.338 -11.675 -6.907) 15.923 5.946 ( 1.473 0.977 -0.347) 1.801 6.178 ( 1.190 -0.203 0.212) 1.226 6.258 ( -1.308 1.119 1.453) 2.253 6.424 ( 0.061 -0.081 -0.882) 0.888 6.787 ( -2.048 2.452 -0.144) 3.198 6.853 ( -0.475 -0.498 2.386) 2.483 8.743 ( -0.393 -0.644 -0.392) 0.850 8.815 ( 1.925 -1.146 -0.752) 2.363 8.914 ( -0.005 -1.999 1.985) 2.817 9.110 ( 1.020 -1.202 -0.868) 1.800 9.259 ( -4.008 0.248 0.913) 4.118 9.386 ( 3.148 1.094 2.921) 4.431 9.610 ( -0.077 -4.814 -1.802) 5.141 9.657 ( 3.135 0.703 1.841) 3.702 10.066 ( 0.134 -6.741 -7.110) 9.799 10.296 ( -2.528 1.762 -5.570) 6.366 10.483 ( -4.351 3.260 12.472) 13.605 10.856 ( -7.572 -5.926 -0.582) 9.633 11.242 ( 1.044 -1.993 8.838) 9.120 11.539 ( -0.765 -0.509 -3.425) 3.546 11.567 ( 5.899 1.188 -4.683) 7.625 11.793 ( -0.791 6.470 0.752) 6.561 11.962 ( 1.232 2.744 -2.892) 4.173 12.098 ( -0.548 4.323 5.600) 7.095 12.287 ( 3.871 2.969 3.663) 6.100 12.469 ( -4.133 0.395 -4.374) 6.031 12.843 ( 7.692 2.987 3.210) 8.854 13.379 ( 0.014 1.859 1.965) 2.705 16.254 ( 0.981 2.243 0.981) 2.638 16.416 ( -0.741 -0.777 -1.402) 1.766 16.874 ( 3.663 4.306 0.765) 5.704 17.320 ( -0.566 -5.995 -0.778) 6.072 17.531 ( 0.645 1.734 -4.697) 5.048 17.760 ( 6.967 4.372 1.061) 8.293 18.964 ( -7.071 -10.387 -6.874) 14.322 19.390 ( -10.321 -10.051 4.324) 15.042 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.789 7.400 -2.309) 9.675 2.445 ( 1.878 4.292 5.097) 6.923 2.562 ( 3.376 7.583 7.922) 11.474 2.733 ( 5.907 7.554 3.293) 10.139 2.826 ( 2.353 1.350 -1.214) 2.972 2.938 ( 8.050 9.433 4.535) 13.204 3.038 ( -1.639 2.283 -3.847) 4.764 3.071 ( -0.442 4.113 -5.864) 7.176 3.256 ( 2.831 4.842 4.305) 7.071 3.310 ( -1.865 1.987 -4.606) 5.352 3.522 ( 5.825 4.277 -1.645) 7.411 3.580 ( 1.927 2.124 0.482) 2.908 3.657 ( 1.474 2.697 0.361) 3.095 3.867 ( -1.177 1.144 0.128) 1.647 4.030 ( 0.647 -3.619 -0.290) 3.688 4.090 ( -2.916 -1.331 -1.212) 3.427 4.112 ( -2.820 -1.076 2.056) 3.652 4.195 ( 1.151 -1.109 -1.913) 2.493 4.238 ( 0.869 -0.931 0.320) 1.313 4.388 ( -5.289 -2.174 -2.579) 6.273 4.436 ( 2.117 -1.897 0.791) 2.951 4.507 ( -1.250 -3.357 0.610) 3.634 4.555 ( 0.835 -3.694 1.347) 4.020 4.997 ( -7.885 -9.604 -4.452) 13.200 5.975 ( 1.186 0.367 -0.867) 1.515 6.202 ( 1.156 0.304 0.446) 1.276 6.246 ( -1.460 0.800 0.627) 1.779 6.420 ( 0.133 -0.383 -0.617) 0.738 6.778 ( -1.922 2.696 0.156) 3.315 6.844 ( -0.854 -0.597 2.767) 2.957 8.729 ( -0.283 -0.652 -0.225) 0.746 8.834 ( 1.804 -0.977 -1.658) 2.638 8.905 ( -0.147 -0.820 1.688) 1.882 9.123 ( 1.044 -0.501 1.656) 2.020 9.183 ( -3.969 -0.140 -1.176) 4.142 9.453 ( 2.710 0.042 -0.035) 2.710 9.582 ( 1.274 -3.096 1.356) 3.612 9.684 ( -0.367 -1.053 -0.440) 1.199 10.027 ( 5.570 -4.660 -7.078) 10.141 10.243 ( -3.539 3.384 -6.975) 8.522 10.483 ( -3.398 0.856 12.188) 12.682 10.689 ( -5.068 -3.830 2.355) 6.775 11.273 ( 1.420 -1.749 3.691) 4.325 11.468 ( -1.252 -3.450 -1.312) 3.898 11.731 ( 7.411 5.510 -3.786) 9.981 11.832 ( -2.607 6.829 -0.550) 7.330 11.987 ( -0.709 3.679 -3.984) 5.469 12.136 ( -2.987 3.164 7.147) 8.367 12.367 ( -1.619 -4.407 3.434) 5.817 12.402 ( 0.255 7.228 -1.498) 7.386 12.970 ( 6.189 -3.336 -1.731) 7.241 13.402 ( 0.444 0.186 2.183) 2.236 16.296 ( 1.257 1.394 0.401) 1.920 16.391 ( -0.939 -0.468 -0.454) 1.143 16.977 ( 0.496 7.320 -0.357) 7.346 17.255 ( -0.859 -3.864 0.296) 3.970 17.531 ( 2.232 -2.782 -3.566) 5.043 17.954 ( 6.878 7.148 0.160) 9.921 18.700 ( -6.422 -11.706 -3.853) 13.896 19.169 ( -6.379 -5.560 3.407) 9.122 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 2.095 1.193 -4.359) 4.982 2.497 ( -2.282 2.027 6.871) 7.519 2.597 ( -7.107 2.105 2.192) 7.730 2.824 ( -2.027 0.072 -2.575) 3.278 2.840 ( -6.074 -0.364 -3.854) 7.203 2.993 ( 3.997 4.020 1.028) 5.761 3.054 ( -4.459 3.408 -2.696) 6.226 3.146 ( 1.915 3.558 3.622) 5.426 3.266 ( -2.231 0.222 -1.941) 2.966 3.373 ( 3.419 3.431 3.074) 5.737 3.593 ( -4.517 4.749 0.279) 6.560 3.611 ( -1.447 1.066 0.593) 1.892 3.724 ( 1.745 1.020 -2.206) 2.992 3.860 ( -0.424 1.159 0.272) 1.264 4.000 ( 0.828 -3.014 -1.570) 3.498 4.048 ( -0.871 -1.451 1.045) 1.989 4.059 ( 0.046 0.824 0.817) 1.161 4.216 ( 2.499 -3.607 0.695) 4.443 4.249 ( 1.227 -1.988 -2.362) 3.322 4.300 ( -1.884 3.732 0.981) 4.295 4.437 ( 1.459 -3.790 0.221) 4.067 4.499 ( -0.233 -3.089 -0.283) 3.111 4.551 ( 3.408 -2.571 0.282) 4.278 4.869 ( 3.588 -1.227 -0.630) 3.844 5.988 ( 0.341 0.019 -0.885) 0.948 6.220 ( -0.359 0.925 -0.452) 1.090 6.230 ( -0.640 -0.090 0.990) 1.182 6.419 ( 0.481 -0.423 -0.319) 0.716 6.776 ( -1.225 2.197 0.460) 2.557 6.834 ( -0.757 -0.395 2.347) 2.498 8.722 ( 0.301 -0.390 -0.192) 0.529 8.842 ( 1.231 -1.621 -2.154) 2.964 8.901 ( -1.118 0.942 0.940) 1.738 9.109 ( -1.989 0.149 -0.417) 2.038 9.161 ( 1.615 -0.630 1.189) 2.102 9.495 ( 2.759 0.294 -2.957) 4.055 9.551 ( -2.219 -3.099 1.526) 4.106 9.676 ( 1.353 -0.804 0.361) 1.615 10.092 ( 7.278 -2.184 -6.283) 9.860 10.201 ( -2.531 3.809 -4.896) 6.699 10.447 ( -3.430 -3.508 9.030) 10.277 10.643 ( 0.163 0.738 5.251) 5.305 11.256 ( -1.603 -2.414 -1.847) 3.436 11.444 ( 2.823 -2.986 0.721) 4.172 11.834 ( -4.268 6.262 -2.269) 7.911 11.884 ( 3.280 5.557 -1.279) 6.578 11.980 ( -3.266 4.555 -3.580) 6.651 12.095 ( -4.750 -0.734 6.130) 7.790 12.303 ( -0.261 -3.766 -1.770) 4.169 12.498 ( -0.853 8.148 7.585) 11.165 12.982 ( 3.266 -7.611 -6.210) 10.351 13.409 ( -0.019 -1.222 1.841) 2.209 16.319 ( -0.061 -0.063 -0.120) 0.149 16.377 ( -0.012 0.334 0.368) 0.497 17.021 ( -4.362 7.589 -0.897) 8.799 17.219 ( 0.578 -1.789 -0.480) 1.940 17.546 ( 4.427 -4.107 -0.721) 6.082 18.059 ( -5.216 5.740 -4.263) 8.851 18.573 ( 7.825 -8.151 1.884) 11.455 19.083 ( -0.049 -2.071 2.486) 3.236 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -9.325 -1.617 -0.329) 9.470 2.373 ( -9.151 -1.050 1.848) 9.394 2.453 ( -12.252 4.280 -2.096) 13.146 2.588 ( -9.795 -6.107 -4.253) 12.301 2.840 ( -4.691 1.363 0.690) 4.933 2.920 ( -8.169 0.524 -0.006) 8.186 3.062 ( -1.625 1.785 -0.291) 2.432 3.136 ( -4.741 0.495 -0.028) 4.767 3.238 ( -2.134 -0.467 2.015) 2.972 3.443 ( -2.821 0.611 3.974) 4.911 3.509 ( -2.472 2.114 -2.417) 4.053 3.572 ( -4.354 1.594 -0.393) 4.653 3.646 ( -5.591 -3.391 -0.832) 6.592 3.874 ( 0.177 -0.209 0.921) 0.961 4.033 ( 4.247 0.126 -3.083) 5.250 4.057 ( 0.222 0.917 0.957) 1.343 4.114 ( 3.617 1.501 1.090) 4.065 4.206 ( 1.873 -2.583 -0.378) 3.213 4.254 ( -0.086 0.237 1.660) 1.679 4.367 ( 2.720 2.831 -1.729) 4.290 4.440 ( 3.887 -1.513 -0.399) 4.190 4.464 ( 2.161 -3.388 -0.592) 4.062 4.603 ( 3.715 -0.685 1.576) 4.093 5.067 ( 14.919 2.072 1.154) 15.107 5.980 ( -0.941 -0.086 -0.484) 1.062 6.204 ( -1.200 0.366 -0.558) 1.373 6.230 ( -0.270 -0.053 0.676) 0.730 6.426 ( 0.646 -0.172 -0.061) 0.671 6.785 ( -0.185 1.451 0.890) 1.712 6.824 ( -0.527 -0.435 0.779) 1.036 8.732 ( 1.071 -0.050 -0.031) 1.073 8.831 ( 0.346 -1.473 -1.732) 2.300 8.888 ( -1.283 0.837 0.328) 1.566 9.103 ( 1.077 0.420 -0.596) 1.301 9.185 ( 0.922 -0.422 0.504) 1.132 9.468 ( -3.028 -0.978 -0.403) 3.208 9.561 ( 4.149 -0.514 -0.465) 4.207 9.683 ( -1.113 0.498 -0.465) 1.305 10.168 ( 4.791 0.569 -8.058) 9.393 10.202 ( 0.506 0.168 3.556) 3.596 10.387 ( -1.842 -2.419 4.320) 5.283 10.726 ( 5.335 1.746 4.393) 7.128 11.176 ( -2.683 -2.473 -3.486) 5.047 11.494 ( 4.553 -1.586 0.824) 4.891 11.787 ( -5.762 4.071 -3.268) 7.775 11.869 ( -6.342 -1.696 4.111) 7.745 11.994 ( -0.954 6.219 -3.861) 7.382 12.047 ( -3.168 1.933 3.250) 4.933 12.254 ( 0.218 -4.610 -1.638) 4.897 12.581 ( -2.568 7.624 7.635) 11.091 12.895 ( -0.903 -8.078 -7.004) 10.729 13.390 ( -1.123 -1.260 0.812) 1.873 16.292 ( -2.200 -0.416 -0.026) 2.239 16.400 ( 1.516 0.343 0.316) 1.586 16.966 ( -7.242 3.437 -0.583) 8.038 17.250 ( 4.154 -0.240 -0.992) 4.278 17.587 ( 2.885 -1.687 1.065) 3.507 17.904 ( -10.170 -0.102 -3.487) 10.752 18.780 ( 15.939 -0.407 1.842) 16.050 19.139 ( 6.694 -0.255 1.559) 6.877 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -23.192 -0.000 0.000) 23.192 2.134 ( -22.320 -0.000 0.000) 22.320 2.324 ( -2.160 -0.000 0.000) 2.160 2.328 ( -17.721 -0.000 0.000) 17.721 2.616 ( -14.467 -0.000 0.000) 14.467 2.878 ( -3.399 -0.000 0.000) 3.399 2.941 ( -11.793 -0.000 0.000) 11.793 3.055 ( -3.701 -0.000 0.000) 3.701 3.184 ( -2.986 -0.000 0.000) 2.986 3.348 ( -5.768 -0.000 0.000) 5.768 3.485 ( -4.703 -0.000 0.000) 4.703 3.524 ( -0.135 -0.000 0.000) 0.135 3.587 ( 1.606 0.000 -0.000) 1.606 3.883 ( 1.013 0.000 -0.000) 1.013 4.050 ( -1.599 -0.000 0.000) 1.599 4.059 ( -0.894 -0.000 0.000) 0.894 4.193 ( 3.209 0.000 -0.000) 3.209 4.221 ( 1.299 0.000 -0.000) 1.299 4.293 ( 3.180 0.000 -0.000) 3.180 4.382 ( 0.311 0.000 -0.000) 0.311 4.503 ( 3.296 0.000 -0.000) 3.296 4.543 ( 4.880 0.000 -0.000) 4.880 4.711 ( 9.607 0.000 -0.000) 9.607 5.372 ( 16.604 0.000 -0.000) 16.604 5.951 ( -2.129 -0.000 0.000) 2.129 6.188 ( -0.656 -0.000 0.000) 0.656 6.224 ( -0.505 -0.000 0.000) 0.505 6.434 ( 0.299 0.000 -0.000) 0.299 6.804 ( 0.851 0.000 -0.000) 0.851 6.811 ( -0.427 -0.000 0.000) 0.427 8.751 ( 0.902 0.000 -0.000) 0.902 8.820 ( -0.221 -0.000 0.000) 0.221 8.888 ( 0.796 0.000 -0.000) 0.796 9.138 ( 2.546 0.000 -0.000) 2.546 9.185 ( -0.544 -0.000 0.000) 0.544 9.414 ( -2.673 -0.000 0.000) 2.673 9.635 ( 4.474 0.000 -0.000) 4.474 9.637 ( -4.073 -0.000 0.000) 4.073 10.219 ( 2.180 0.000 -0.000) 2.180 10.235 ( 2.403 0.000 -0.000) 2.403 10.369 ( -0.155 -0.000 0.000) 0.155 10.888 ( 10.423 0.000 -0.000) 10.423 11.109 ( -2.008 -0.000 0.000) 2.008 11.568 ( 4.135 0.000 -0.000) 4.135 11.698 ( -5.415 -0.000 0.000) 5.415 11.741 ( -7.062 -0.000 0.000) 7.062 12.003 ( -0.556 -0.000 0.000) 0.556 12.005 ( -4.175 -0.000 0.000) 4.175 12.212 ( -1.888 -0.000 0.000) 1.888 12.597 ( -2.401 -0.000 0.000) 2.401 12.758 ( -7.100 -0.000 0.000) 7.100 13.356 ( -1.881 -0.000 0.000) 1.881 16.244 ( -2.805 -0.000 0.000) 2.805 16.432 ( 1.796 0.000 -0.000) 1.796 16.861 ( -5.756 -0.000 0.000) 5.756 17.334 ( 5.172 0.000 -0.000) 5.172 17.599 ( -1.305 -0.000 0.000) 1.305 17.736 ( -7.214 -0.000 0.000) 7.214 19.069 ( 15.316 0.000 -0.000) 15.316 19.318 ( 12.721 0.000 -0.000) 12.721 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.000 20.443 10.467) 22.967 1.931 ( 0.000 21.273 7.010) 22.398 2.339 ( 0.000 3.527 4.997) 6.116 2.413 ( 0.000 22.320 16.734) 27.897 2.473 ( 0.000 10.097 1.587) 10.221 2.628 ( -0.000 6.996 -7.103) 9.970 2.848 ( -0.000 16.088 -7.596) 17.791 2.953 ( -0.000 1.146 -3.613) 3.790 3.224 ( -0.000 1.201 -1.970) 2.308 3.231 ( 0.000 2.979 2.607) 3.959 3.388 ( -0.000 0.890 -2.213) 2.386 3.514 ( -0.000 -0.821 -0.902) 1.220 3.607 ( -0.000 -1.506 -0.171) 1.516 3.957 ( 0.000 0.898 0.883) 1.259 3.984 ( -0.000 1.418 -1.167) 1.836 4.068 ( 0.000 -0.650 2.867) 2.940 4.240 ( 0.000 -4.619 0.285) 4.628 4.245 ( -0.000 2.997 -0.045) 2.997 4.278 ( 0.000 -4.498 0.239) 4.504 4.375 ( -0.000 -4.157 -5.305) 6.740 4.488 ( -0.000 1.018 -1.213) 1.583 4.590 ( -0.000 -0.484 -0.422) 0.642 4.827 ( -0.000 -8.291 -0.986) 8.349 5.444 ( -0.000 -12.597 -8.285) 15.078 5.912 ( -0.000 1.012 0.010) 1.012 6.153 ( -0.000 -0.517 -0.048) 0.519 6.286 ( 0.000 0.995 2.089) 2.314 6.423 ( -0.000 0.168 -0.995) 1.009 6.839 ( 0.000 2.216 1.143) 2.494 6.853 ( 0.000 0.253 1.430) 1.452 8.757 ( -0.000 -1.081 -0.361) 1.140 8.763 ( -0.000 -0.919 -1.607) 1.852 8.915 ( 0.000 -1.791 0.957) 2.030 9.086 ( -0.000 -0.693 -1.884) 2.008 9.306 ( 0.000 0.006 10.109) 10.109 9.363 ( -0.000 1.838 -4.081) 4.476 9.550 ( 0.000 -1.080 3.014) 3.202 9.627 ( -0.000 -6.067 -2.437) 6.538 10.099 ( -0.000 -6.494 -6.519) 9.202 10.329 ( -0.000 -0.087 -2.280) 2.282 10.618 ( 0.000 5.385 11.379) 12.589 11.106 ( 0.000 1.118 1.524) 1.890 11.170 ( 0.000 -6.998 6.009) 9.224 11.405 ( -0.000 -2.078 -7.552) 7.833 11.604 ( -0.000 1.024 -0.110) 1.030 11.796 ( 0.000 4.002 1.600) 4.310 11.856 ( 0.000 -1.551 2.473) 2.919 12.100 ( -0.000 0.569 -2.718) 2.777 12.172 ( 0.000 4.892 2.930) 5.702 12.569 ( 0.000 2.756 0.128) 2.759 12.715 ( 0.000 10.232 4.221) 11.069 13.397 ( 0.000 3.097 1.285) 3.352 16.241 ( 0.000 2.828 1.673) 3.285 16.432 ( -0.000 -0.722 -1.918) 2.049 16.745 ( 0.000 0.884 0.190) 0.904 17.317 ( -0.000 -6.682 -3.253) 7.432 17.546 ( -0.000 6.227 -3.742) 7.265 17.608 ( -0.000 1.280 -0.054) 1.281 19.112 ( -0.000 -9.273 -5.843) 10.961 19.626 ( 0.000 -12.766 4.084) 13.403 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 1.845 15.885 5.727) 16.986 2.240 ( 8.133 16.576 7.303) 19.855 2.394 ( 1.499 2.178 5.548) 6.146 2.594 ( 2.267 7.763 2.165) 8.372 2.686 ( 2.797 9.859 -0.336) 10.254 2.722 ( 4.621 9.582 5.408) 11.934 2.955 ( 1.062 9.037 -3.930) 9.912 3.026 ( 3.660 8.073 -6.659) 11.087 3.222 ( -0.021 0.560 1.659) 1.751 3.297 ( 3.443 1.301 -1.626) 4.024 3.375 ( -1.769 2.047 -1.731) 3.212 3.526 ( 0.729 2.455 -0.958) 2.735 3.615 ( 1.861 -0.222 1.336) 2.302 3.932 ( -2.530 1.177 0.403) 2.819 4.008 ( 0.380 -0.683 -0.067) 0.785 4.077 ( 1.407 -1.510 1.034) 2.308 4.184 ( -0.848 -3.924 -0.219) 4.020 4.242 ( -0.483 -1.795 0.007) 1.859 4.276 ( -0.290 1.599 -0.933) 1.873 4.308 ( 1.144 -3.725 -5.228) 6.520 4.496 ( -0.985 1.678 0.953) 2.167 4.567 ( -1.611 -0.881 -0.275) 1.857 4.706 ( -4.611 -7.004 0.878) 8.431 5.238 ( -4.027 -14.348 -6.615) 16.304 5.928 ( 1.032 0.374 -0.552) 1.228 6.157 ( 0.890 -0.116 0.154) 0.911 6.294 ( -0.880 0.822 1.371) 1.825 6.420 ( -0.057 0.058 -0.801) 0.805 6.845 ( -1.430 1.768 0.385) 2.306 6.869 ( -0.280 0.887 2.746) 2.900 8.740 ( -0.221 -0.856 -0.321) 0.941 8.764 ( 1.527 -1.229 -1.481) 2.457 8.902 ( 0.085 -1.299 1.105) 1.707 9.084 ( 0.650 -0.169 -0.323) 0.746 9.329 ( -2.547 -0.008 2.866) 3.834 9.366 ( 1.465 1.107 2.047) 2.750 9.551 ( 0.091 -4.334 -2.568) 5.039 9.594 ( 3.768 -1.039 1.017) 4.039 9.985 ( -1.794 -7.134 -7.004) 10.157 10.318 ( -0.521 0.416 -2.656) 2.739 10.666 ( -5.193 5.393 10.618) 12.992 10.961 ( -9.178 -2.049 -0.342) 9.410 11.240 ( 1.710 -2.657 11.180) 11.618 11.409 ( 7.532 0.345 -9.306) 11.977 11.581 ( -3.539 -0.205 -1.283) 3.770 11.834 ( 1.709 2.465 0.096) 3.001 11.905 ( 4.576 -0.628 -0.253) 4.626 12.132 ( 3.196 2.107 1.857) 4.254 12.254 ( 2.305 4.076 0.863) 4.761 12.556 ( -4.566 2.232 -0.479) 5.105 12.832 ( 1.219 6.063 3.997) 7.363 13.421 ( -1.016 2.534 1.019) 2.914 16.274 ( 0.005 2.313 1.170) 2.592 16.416 ( -0.478 -0.268 -1.191) 1.311 16.813 ( 5.871 1.822 0.373) 6.158 17.239 ( 0.464 -6.821 -2.878) 7.418 17.569 ( -2.130 3.759 -3.676) 5.673 17.674 ( 5.829 1.911 0.405) 6.148 18.959 ( -5.010 -8.203 -4.145) 10.468 19.458 ( -6.606 -9.706 3.177) 12.163 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 1.734 8.402 -0.267) 8.583 2.438 ( 2.637 0.195 5.316) 5.937 2.596 ( 8.060 11.403 7.024) 15.631 2.724 ( 3.549 5.649 1.959) 6.953 2.777 ( 4.477 2.895 -4.218) 6.798 2.933 ( 4.318 7.819 6.290) 10.924 3.076 ( 1.013 5.075 -2.703) 5.838 3.092 ( 0.644 4.195 -4.935) 6.509 3.266 ( 2.685 2.347 1.284) 3.790 3.309 ( 0.200 -2.302 -3.303) 4.031 3.441 ( 5.733 5.154 -1.609) 7.876 3.575 ( 1.651 2.651 1.272) 3.372 3.672 ( 1.451 3.491 1.078) 3.932 3.910 ( -1.706 1.560 0.237) 2.323 3.983 ( -0.159 -3.088 0.491) 3.131 4.077 ( 0.571 -3.053 -0.352) 3.126 4.140 ( -0.444 -1.575 -0.330) 1.669 4.195 ( -1.727 -2.070 -0.818) 2.817 4.257 ( -3.220 3.604 -2.859) 5.616 4.338 ( 4.338 -1.737 -0.877) 4.755 4.478 ( -3.584 1.081 2.023) 4.255 4.527 ( -0.997 -2.715 1.645) 3.327 4.540 ( -6.145 -4.636 -0.165) 7.699 4.987 ( -5.354 -12.393 -4.715) 14.300 5.950 ( 1.420 -0.002 -0.787) 1.624 6.181 ( 1.507 0.203 0.300) 1.550 6.284 ( -1.454 0.660 0.572) 1.696 6.415 ( -0.178 -0.198 -0.494) 0.561 6.833 ( -1.621 1.345 -0.497) 2.164 6.875 ( -1.287 0.818 3.325) 3.658 8.728 ( -0.269 -0.592 0.082) 0.655 8.779 ( 2.028 -1.348 -1.374) 2.796 8.903 ( 0.436 -0.220 0.949) 1.067 9.100 ( 1.140 -0.093 0.808) 1.401 9.264 ( -4.632 -0.021 -0.381) 4.647 9.417 ( 1.648 -0.130 2.578) 3.063 9.519 ( 2.009 -2.466 -1.432) 3.489 9.670 ( 3.031 0.539 0.505) 3.120 9.867 ( 0.938 -6.926 -6.363) 9.452 10.297 ( -1.633 1.322 -3.283) 3.898 10.629 ( -6.841 2.048 7.583) 10.416 10.793 ( -7.893 -0.193 1.678) 8.072 11.250 ( 0.545 -1.979 4.681) 5.111 11.491 ( -4.237 -1.604 -0.746) 4.591 11.590 ( 11.230 2.631 -3.435) 12.035 11.895 ( 1.590 3.144 -0.642) 3.581 11.971 ( 3.263 0.419 -2.661) 4.231 12.234 ( 0.531 4.481 4.741) 6.545 12.355 ( 6.387 1.024 3.341) 7.280 12.454 ( -7.230 1.226 -3.791) 8.256 12.890 ( 0.225 0.262 1.190) 1.239 13.424 ( -1.125 1.207 1.259) 2.075 16.298 ( 0.322 1.254 0.388) 1.352 16.402 ( -0.719 0.009 -0.378) 0.812 16.974 ( 7.207 5.023 -0.460) 8.797 17.186 ( 2.328 -6.159 0.011) 6.585 17.516 ( -4.350 -0.082 -3.809) 5.782 17.856 ( 10.667 4.094 0.551) 11.439 18.734 ( -9.639 -7.744 -2.909) 12.702 19.252 ( -7.797 -5.601 2.597) 9.945 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.685 2.019 -1.994) 2.919 2.508 ( 3.405 0.094 4.043) 5.287 2.717 ( -2.679 2.383 1.078) 3.744 2.858 ( 1.318 2.657 2.943) 4.178 2.895 ( 3.017 3.228 -2.761) 5.210 2.989 ( -3.306 0.703 -1.285) 3.616 3.106 ( 3.848 5.246 0.155) 6.508 3.157 ( 0.560 1.848 2.306) 3.008 3.266 ( -0.350 -2.764 -3.626) 4.573 3.353 ( 3.180 2.333 0.735) 4.012 3.609 ( 6.153 3.594 -0.454) 7.140 3.649 ( 3.354 2.198 0.205) 4.015 3.705 ( -1.679 1.688 -0.015) 2.381 3.894 ( -1.588 0.912 0.224) 1.845 3.968 ( 0.622 -1.343 0.428) 1.541 4.046 ( -0.255 -1.591 -0.426) 1.667 4.123 ( -4.388 0.434 1.125) 4.551 4.143 ( 0.373 -2.352 -0.219) 2.391 4.208 ( -1.135 -0.712 -1.739) 2.195 4.370 ( -0.460 1.320 -0.313) 1.433 4.412 ( -2.170 -2.282 0.813) 3.252 4.469 ( 1.569 -1.708 0.759) 2.440 4.486 ( -1.579 -1.515 -0.016) 2.188 4.814 ( -1.065 -4.758 -1.842) 5.212 5.971 ( 1.172 -0.050 -0.533) 1.288 6.212 ( 1.380 0.236 0.239) 1.420 6.261 ( -1.745 0.345 0.114) 1.783 6.409 ( 0.018 -0.256 -0.214) 0.334 6.814 ( -1.392 0.740 -0.497) 1.653 6.865 ( -1.594 0.453 2.220) 2.770 8.719 ( -0.275 -0.206 0.022) 0.345 8.795 ( 1.676 -1.066 -0.913) 2.186 8.918 ( 0.522 0.549 0.423) 0.867 9.127 ( 1.642 -0.168 1.009) 1.935 9.173 ( -4.835 -0.121 -0.526) 4.865 9.442 ( 1.922 -0.392 -0.607) 2.053 9.549 ( 1.616 -1.093 0.889) 2.144 9.665 ( -1.821 -0.189 -0.081) 1.833 9.896 ( 8.891 -3.012 -3.589) 10.050 10.265 ( -2.410 1.746 -2.745) 4.049 10.527 ( -6.307 -1.575 3.604) 7.433 10.708 ( -3.837 1.605 3.352) 5.342 11.256 ( -0.017 -1.057 0.721) 1.280 11.410 ( -1.932 -1.395 -0.305) 2.403 11.794 ( 8.844 2.089 -1.336) 9.185 11.944 ( 0.060 3.631 -0.614) 3.683 12.008 ( 1.008 1.028 -2.180) 2.612 12.235 ( -5.430 1.710 4.445) 7.223 12.302 ( -6.005 -2.145 -1.132) 6.477 12.551 ( 8.152 5.348 3.184) 10.256 12.853 ( -1.164 -4.764 -3.231) 5.873 13.416 ( -0.907 0.000 1.046) 1.384 16.314 ( 0.531 0.303 -0.021) 0.612 16.389 ( -0.716 0.129 0.084) 0.732 17.100 ( 1.522 3.682 -2.896) 4.926 17.237 ( 3.564 2.089 5.451) 6.839 17.403 ( -1.109 -6.085 -4.493) 7.645 18.124 ( 11.206 8.394 -0.558) 14.013 18.452 ( -10.049 -9.753 -0.565) 14.015 19.110 ( -4.352 -1.947 1.452) 4.984 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.391 0.000 -0.000) 0.391 2.571 ( 1.364 0.000 -0.000) 1.364 2.611 ( -10.878 -0.000 0.000) 10.878 2.741 ( -12.295 -0.000 0.000) 12.295 2.872 ( -0.921 -0.000 0.000) 0.921 3.065 ( 3.191 0.000 -0.000) 3.191 3.081 ( -6.532 -0.000 0.000) 6.532 3.205 ( -2.482 -0.000 0.000) 2.482 3.245 ( 1.980 0.000 -0.000) 1.980 3.422 ( 2.960 0.000 -0.000) 2.960 3.619 ( -6.009 -0.000 0.000) 6.009 3.669 ( -1.769 -0.000 0.000) 1.769 3.711 ( -2.570 -0.000 0.000) 2.570 3.881 ( -0.587 -0.000 0.000) 0.587 3.953 ( 1.110 0.000 -0.000) 1.110 4.051 ( 1.229 0.000 -0.000) 1.229 4.074 ( 1.150 0.000 -0.000) 1.150 4.148 ( 1.813 0.000 -0.000) 1.813 4.233 ( 2.715 0.000 -0.000) 2.715 4.376 ( -0.731 -0.000 0.000) 0.731 4.383 ( 0.772 0.000 -0.000) 0.772 4.427 ( -0.853 -0.000 0.000) 0.853 4.533 ( 3.997 0.000 -0.000) 3.997 4.859 ( 8.427 0.000 -0.000) 8.427 5.984 ( 0.320 0.000 -0.000) 0.320 6.230 ( 0.473 0.000 -0.000) 0.473 6.232 ( -1.692 -0.000 0.000) 1.692 6.412 ( 0.571 0.000 -0.000) 0.571 6.799 ( -0.678 -0.000 0.000) 0.678 6.844 ( -1.409 -0.000 0.000) 1.409 8.717 ( 0.347 0.000 -0.000) 0.347 8.810 ( 0.906 0.000 -0.000) 0.906 8.920 ( -1.037 -0.000 0.000) 1.037 9.107 ( -1.884 -0.000 0.000) 1.884 9.160 ( 1.721 0.000 -0.000) 1.721 9.487 ( 3.467 0.000 -0.000) 3.467 9.519 ( -3.188 -0.000 0.000) 3.188 9.674 ( 1.766 0.000 -0.000) 1.766 10.034 ( 8.284 0.000 -0.000) 8.284 10.229 ( -1.994 -0.000 0.000) 1.994 10.429 ( -3.977 -0.000 0.000) 3.977 10.694 ( 0.432 0.000 -0.000) 0.432 11.215 ( -3.317 -0.000 0.000) 3.317 11.416 ( 3.048 0.000 -0.000) 3.048 11.884 ( -0.941 -0.000 0.000) 0.941 11.948 ( -2.690 -0.000 0.000) 2.690 12.013 ( -0.153 -0.000 0.000) 0.153 12.171 ( -5.090 -0.000 0.000) 5.090 12.197 ( -0.894 -0.000 0.000) 0.894 12.732 ( -4.796 -0.000 0.000) 4.796 12.759 ( 6.903 0.000 -0.000) 6.903 13.402 ( -0.821 -0.000 0.000) 0.821 16.317 ( -0.639 -0.000 0.000) 0.639 16.384 ( 0.325 0.000 -0.000) 0.325 17.115 ( -3.986 -0.000 0.000) 3.986 17.206 ( -2.545 -0.000 0.000) 2.545 17.469 ( 8.611 0.000 -0.000) 8.611 18.124 ( -14.259 -0.000 0.000) 14.259 18.478 ( 17.199 0.000 -0.000) 17.199 19.072 ( 0.895 0.000 -0.000) 0.895 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 0.000 13.162 4.438) 13.890 2.330 ( 0.000 12.025 7.109) 13.969 2.418 ( 0.000 1.401 5.192) 5.378 2.624 ( -0.000 3.835 -5.217) 6.475 2.698 ( -0.000 4.236 -0.859) 4.322 2.854 ( 0.000 10.747 8.840) 13.915 2.990 ( -0.000 4.792 -3.300) 5.818 3.066 ( -0.000 8.115 -5.551) 9.832 3.204 ( -0.000 -1.350 -2.512) 2.852 3.288 ( 0.000 0.892 0.723) 1.148 3.396 ( -0.000 -0.235 -0.175) 0.293 3.580 ( -0.000 8.323 -0.436) 8.335 3.585 ( 0.000 -1.179 1.666) 2.041 3.986 ( 0.000 1.498 0.293) 1.526 3.994 ( 0.000 -0.092 0.620) 0.627 4.049 ( 0.000 -1.590 -0.062) 1.591 4.141 ( 0.000 -4.600 0.502) 4.627 4.200 ( 0.000 -3.114 0.176) 3.119 4.248 ( -0.000 -2.903 -4.673) 5.501 4.329 ( -0.000 6.210 -2.123) 6.563 4.533 ( 0.000 1.699 3.849) 4.207 4.580 ( -0.000 -0.249 -0.320) 0.405 4.686 ( 0.000 -5.244 -0.037) 5.244 5.093 ( -0.000 -15.757 -5.695) 16.755 5.918 ( -0.000 -0.059 -0.627) 0.630 6.149 ( 0.000 0.072 0.166) 0.180 6.313 ( 0.000 0.483 0.960) 1.075 6.420 ( -0.000 0.119 -0.599) 0.611 6.866 ( 0.000 0.163 0.860) 0.875 6.903 ( 0.000 2.258 2.035) 3.040 8.730 ( -0.000 -0.979 -0.641) 1.170 8.735 ( -0.000 -0.765 -1.163) 1.393 8.894 ( 0.000 -0.683 0.893) 1.124 9.081 ( 0.000 0.404 0.278) 0.490 9.354 ( -0.000 -0.465 -1.964) 2.019 9.376 ( 0.000 0.569 6.929) 6.952 9.512 ( -0.000 -2.668 -3.659) 4.528 9.536 ( 0.000 -1.367 0.907) 1.641 9.916 ( -0.000 -5.560 -6.160) 8.298 10.315 ( -0.000 0.043 -1.382) 1.383 10.814 ( 0.000 5.601 9.146) 10.725 11.132 ( 0.000 -1.440 4.954) 5.159 11.135 ( 0.000 0.736 0.888) 1.153 11.304 ( -0.000 -2.911 -5.473) 6.199 11.629 ( -0.000 1.190 0.042) 1.191 11.812 ( -0.000 -0.858 -3.319) 3.428 11.840 ( 0.000 -1.329 1.498) 2.002 12.091 ( -0.000 0.199 -1.699) 1.710 12.301 ( 0.000 4.697 2.724) 5.430 12.633 ( 0.000 2.694 1.283) 2.984 12.902 ( 0.000 5.049 3.267) 6.014 13.457 ( -0.000 1.927 0.003) 1.927 16.301 ( 0.000 1.730 0.816) 1.913 16.418 ( -0.000 0.257 -0.492) 0.555 16.761 ( 0.000 0.544 0.116) 0.557 17.161 ( -0.000 -5.385 -3.076) 6.201 17.617 ( -0.000 2.837 -2.331) 3.671 17.630 ( -0.000 0.808 -0.022) 0.808 18.926 ( -0.000 -5.557 -1.994) 5.904 19.438 ( 0.000 -7.220 1.826) 7.448 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -2.114 7.403 0.275) 7.704 2.416 ( 0.571 -1.406 3.848) 4.136 2.566 ( 8.102 6.786 5.971) 12.138 2.682 ( 5.533 2.792 -5.127) 8.043 2.742 ( 0.969 1.785 0.329) 2.057 2.982 ( 1.338 5.914 6.370) 8.795 3.063 ( 3.616 3.699 -0.710) 5.221 3.110 ( 0.629 2.186 -5.616) 6.059 3.194 ( 1.932 -1.979 -2.808) 3.941 3.294 ( 0.161 -0.142 0.277) 0.351 3.406 ( 2.008 0.764 -0.157) 2.154 3.581 ( 0.246 0.202 1.310) 1.348 3.689 ( 2.132 5.711 0.663) 6.132 3.962 ( -2.456 1.814 -0.803) 3.157 3.986 ( -1.932 -1.324 1.897) 3.014 4.037 ( 0.689 -1.893 -0.446) 2.063 4.119 ( 0.612 -1.803 0.033) 1.905 4.191 ( -0.296 -1.444 -0.794) 1.675 4.227 ( 3.465 -1.399 -1.610) 4.069 4.375 ( -1.758 7.217 -2.468) 7.827 4.528 ( -2.875 -5.026 6.399) 8.629 4.552 ( -2.643 -0.389 -0.330) 2.692 4.619 ( -3.874 2.476 -1.769) 4.926 4.903 ( -1.812 -12.423 -3.777) 13.111 5.924 ( 1.017 -0.142 -0.456) 1.123 6.160 ( 0.997 0.123 0.135) 1.013 6.311 ( -0.837 0.280 0.391) 0.965 6.417 ( -0.227 0.002 -0.288) 0.367 6.861 ( -0.884 0.175 0.228) 0.929 6.918 ( -1.015 1.201 1.479) 2.159 8.724 ( 0.126 -0.547 0.453) 0.722 8.734 ( 1.209 -0.532 -1.361) 1.896 8.896 ( 0.318 -0.136 0.547) 0.647 9.090 ( 0.432 0.262 0.418) 0.656 9.322 ( -2.195 -0.485 -0.754) 2.372 9.414 ( 0.761 0.461 5.697) 5.766 9.467 ( -0.070 -1.401 -4.312) 4.535 9.583 ( 5.315 -0.417 0.292) 5.339 9.825 ( -2.764 -3.459 -3.652) 5.740 10.311 ( -0.234 0.178 -0.969) 1.013 10.809 ( -7.925 2.040 4.475) 9.327 10.959 ( -9.183 1.194 0.720) 9.288 11.244 ( -0.289 -2.440 4.058) 4.744 11.372 ( 12.942 0.903 -3.377) 13.405 11.571 ( -5.434 -0.096 -0.944) 5.517 11.850 ( 4.500 0.068 -0.424) 4.520 11.883 ( 4.658 -0.681 -0.828) 4.780 12.160 ( 7.764 0.476 -0.229) 7.782 12.341 ( -0.657 2.421 1.196) 2.779 12.601 ( -6.363 1.408 0.561) 6.541 12.934 ( -1.763 1.849 1.668) 3.051 13.460 ( -1.083 0.891 0.058) 1.403 16.311 ( -0.396 0.722 0.213) 0.851 16.415 ( -0.625 0.279 -0.058) 0.687 16.847 ( 8.370 1.047 0.114) 8.436 17.109 ( 0.275 -3.321 -1.473) 3.643 17.597 ( -3.819 1.053 -1.538) 4.249 17.706 ( 7.672 0.837 0.170) 7.720 18.822 ( -6.207 -3.102 -1.011) 7.012 19.334 ( -5.490 -3.518 1.052) 6.605 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -1.758 -0.000 0.000) 1.758 2.449 ( 3.288 0.000 -0.000) 3.288 2.742 ( 2.495 0.000 -0.000) 2.495 2.792 ( 6.598 0.000 -0.000) 6.598 2.814 ( 6.726 0.000 -0.000) 6.726 3.059 ( 3.072 0.000 -0.000) 3.072 3.075 ( -3.955 -0.000 0.000) 3.955 3.152 ( 2.521 0.000 -0.000) 2.521 3.218 ( 2.610 0.000 -0.000) 2.610 3.312 ( 2.166 0.000 -0.000) 2.166 3.497 ( 7.106 0.000 -0.000) 7.106 3.602 ( 1.938 0.000 -0.000) 1.938 3.743 ( 0.006 0.000 -0.000) 0.006 3.935 ( -2.282 -0.000 0.000) 2.282 3.952 ( -0.095 -0.000 0.000) 0.095 4.033 ( 0.213 0.000 -0.000) 0.213 4.116 ( 0.243 0.000 -0.000) 0.243 4.164 ( -0.899 -0.000 0.000) 0.899 4.287 ( 0.778 0.000 -0.000) 0.778 4.384 ( -4.759 -0.000 0.000) 4.759 4.402 ( -1.450 -0.000 0.000) 1.450 4.495 ( -2.819 -0.000 0.000) 2.819 4.557 ( -5.498 -0.000 0.000) 5.498 4.800 ( -1.360 -0.000 0.000) 1.360 5.945 ( 1.455 0.000 -0.000) 1.455 6.185 ( 1.603 0.000 -0.000) 1.603 6.293 ( -1.466 -0.000 0.000) 1.466 6.411 ( -0.320 -0.000 0.000) 0.320 6.842 ( -1.383 -0.000 0.000) 1.383 6.903 ( -1.637 -0.000 0.000) 1.637 8.723 ( -0.151 -0.000 0.000) 0.151 8.756 ( 1.823 0.000 -0.000) 1.823 8.906 ( 0.799 0.000 -0.000) 0.799 9.104 ( 1.003 0.000 -0.000) 1.003 9.260 ( -4.465 -0.000 0.000) 4.465 9.423 ( -0.143 -0.000 0.000) 0.143 9.491 ( 3.524 0.000 -0.000) 3.524 9.710 ( 8.489 0.000 -0.000) 8.489 9.730 ( -4.380 -0.000 0.000) 4.380 10.299 ( -1.127 -0.000 0.000) 1.127 10.664 ( -8.803 -0.000 0.000) 8.803 10.823 ( -7.236 -0.000 0.000) 7.236 11.242 ( 0.670 0.000 -0.000) 0.670 11.471 ( -5.012 -0.000 0.000) 5.012 11.607 ( 12.548 0.000 -0.000) 12.548 11.923 ( 3.243 0.000 -0.000) 3.243 11.960 ( 4.087 0.000 -0.000) 4.087 12.306 ( 0.451 0.000 -0.000) 0.451 12.377 ( 9.720 0.000 -0.000) 9.720 12.457 ( -9.898 -0.000 0.000) 9.898 12.892 ( -3.759 -0.000 0.000) 3.759 13.441 ( -1.445 -0.000 0.000) 1.445 16.310 ( 0.047 0.000 -0.000) 0.047 16.403 ( -0.779 -0.000 0.000) 0.779 17.053 ( 12.803 0.000 -0.000) 12.803 17.094 ( 0.547 0.000 -0.000) 0.547 17.495 ( -7.488 -0.000 0.000) 7.488 17.907 ( 13.575 0.000 -0.000) 13.575 18.637 ( -12.088 -0.000 0.000) 12.088 19.203 ( -6.760 -0.000 0.000) 6.760 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 -0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 3.029 ( -0.000 -0.000 -0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.176 ( -0.000 -0.000 -0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.011 ( -0.000 0.000 -0.000) 0.000 4.030 ( -0.000 0.000 -0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.199 ( -0.000 0.000 -0.000) 0.000 4.427 ( -0.000 0.000 -0.000) 0.000 4.543 ( 0.000 -0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 8.716 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 -0.000 0.000) 0.000 9.418 ( -0.000 0.000 -0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.311 ( -0.000 0.000 -0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.144 ( -0.000 0.000 -0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 -0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.830 ( -0.000 0.000 -0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.671 ( -0.000 0.000 -0.000) 0.000 12.966 ( 0.000 0.000 0.000) 0.000 13.475 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.423 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 17.088 ( 0.000 0.000 0.000) 0.000 17.636 ( 0.000 0.000 0.000) 0.000 17.638 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 19.369 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 0.000 -0.000 28.401) 28.401 0.311 ( 0.000 -0.000 28.401) 28.401 0.649 ( 0.000 -0.000 59.213) 59.213 2.074 ( -0.000 0.000 -3.800) 3.800 2.074 ( -0.000 0.000 -3.800) 3.800 2.247 ( -0.000 0.000 -1.243) 1.243 2.247 ( -0.000 0.000 -1.243) 1.243 2.906 ( 0.000 -0.000 3.514) 3.514 3.168 ( -0.000 0.000 -1.159) 1.159 3.168 ( -0.000 0.000 -1.159) 1.159 3.439 ( -0.000 0.000 -0.300) 0.300 3.685 ( -0.000 0.000 -3.902) 3.902 3.879 ( -0.000 0.000 -1.326) 1.326 3.936 ( 0.000 -0.000 2.142) 2.142 3.936 ( 0.000 -0.000 2.142) 2.142 4.056 ( -0.000 0.000 -6.401) 6.401 4.363 ( -0.000 0.000 -2.280) 2.280 4.363 ( -0.000 0.000 -2.280) 2.280 4.456 ( 0.000 -0.000 1.042) 1.042 4.456 ( 0.000 -0.000 1.042) 1.042 4.632 ( 0.000 -0.000 0.129) 0.129 4.632 ( 0.000 -0.000 0.129) 0.129 4.776 ( 0.000 -0.000 3.371) 3.371 5.410 ( -0.000 0.000 -8.397) 8.397 5.825 ( 0.000 -0.000 1.616) 1.616 6.192 ( 0.000 -0.000 0.858) 0.858 6.192 ( 0.000 -0.000 0.858) 0.858 6.426 ( -0.000 0.000 -0.794) 0.794 6.816 ( -0.000 0.000 -0.885) 0.885 6.816 ( -0.000 0.000 -0.885) 0.885 8.785 ( 0.000 -0.000 -0.000) 0.000 8.785 ( -0.000 0.000 -0.000) 0.000 8.968 ( 0.000 -0.000 1.401) 1.401 9.261 ( -0.000 0.000 -6.756) 6.756 9.261 ( -0.000 0.000 -6.756) 6.756 9.467 ( 0.000 -0.000 9.476) 9.476 9.467 ( 0.000 -0.000 9.476) 9.476 10.081 ( -0.000 0.000 -0.307) 0.307 10.351 ( -0.000 0.000 -4.463) 4.463 10.351 ( -0.000 0.000 -4.463) 4.463 11.056 ( 0.000 -0.000 4.095) 4.095 11.056 ( 0.000 -0.000 4.095) 4.095 11.570 ( 0.000 -0.000 1.488) 1.488 11.588 ( -0.000 0.000 -0.152) 0.152 11.588 ( -0.000 0.000 -0.152) 0.152 11.840 ( -0.000 0.000 -1.146) 1.146 11.875 ( -0.000 0.000 -2.867) 2.867 11.875 ( -0.000 0.000 -2.867) 2.867 12.095 ( 0.000 -0.000 0.827) 0.827 12.095 ( 0.000 -0.000 0.827) 0.827 12.246 ( 0.000 -0.000 3.368) 3.368 13.499 ( -0.000 0.000 -2.782) 2.782 16.128 ( 0.000 -0.000 1.825) 1.825 16.546 ( -0.000 0.000 -1.624) 1.624 16.709 ( 0.000 -0.000 1.206) 1.206 16.709 ( 0.000 -0.000 1.206) 1.206 17.547 ( -0.000 0.000 -0.978) 0.978 17.547 ( -0.000 0.000 -0.978) 0.978 19.310 ( 0.000 -0.000 0.089) 0.089 20.446 ( -0.000 0.000 -0.012) 0.012 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 21.520 12.425 15.823) 29.459 0.816 ( 24.380 14.076 14.778) 31.795 1.124 ( 19.921 11.501 42.423) 48.258 2.112 ( 5.242 3.026 -3.298) 6.892 2.130 ( 4.561 2.633 -2.530) 5.842 2.282 ( 4.962 2.865 -4.339) 7.187 2.364 ( 7.618 4.398 -1.556) 8.933 2.935 ( 1.201 0.693 3.909) 4.148 3.165 ( -0.009 -0.005 -1.057) 1.057 3.171 ( 0.652 0.376 -1.654) 1.817 3.430 ( -0.444 -0.256 -0.398) 0.649 3.661 ( -0.702 -0.405 -4.474) 4.547 3.690 ( -8.137 -4.698 5.059) 10.672 3.907 ( -2.282 -1.317 -1.106) 2.857 3.960 ( 0.844 0.487 3.467) 3.601 4.044 ( 4.041 2.333 1.366) 4.862 4.121 ( -2.371 -1.369 8.091) 8.542 4.326 ( -1.841 -1.063 -3.202) 3.843 4.422 ( 0.252 0.146 -1.927) 1.949 4.436 ( -1.912 -1.104 0.920) 2.392 4.522 ( 1.781 1.028 0.632) 2.151 4.631 ( -0.360 -0.208 0.329) 0.530 5.263 ( -6.454 -3.726 -9.256) 11.883 5.632 ( 12.971 7.489 -31.453) 34.837 5.846 ( 1.149 0.663 1.810) 2.244 6.194 ( 0.049 0.029 0.486) 0.489 6.202 ( 0.101 0.059 1.495) 1.499 6.424 ( 0.118 0.068 -1.022) 1.030 6.789 ( -1.091 -0.630 -2.035) 2.393 6.842 ( 1.190 0.687 -0.951) 1.671 8.777 ( -0.490 -0.283 -0.243) 0.615 8.811 ( 1.452 0.838 0.659) 1.801 8.965 ( -0.523 -0.302 1.624) 1.733 9.213 ( 0.299 0.173 -5.798) 5.808 9.266 ( 0.217 0.125 -4.999) 5.005 9.394 ( -6.220 -3.591 18.412) 19.763 9.494 ( 0.461 0.266 10.063) 10.077 9.967 ( -8.694 -5.020 2.498) 10.345 10.303 ( -1.572 -0.907 -6.617) 6.862 10.339 ( -0.254 -0.147 -3.807) 3.819 10.457 ( -12.734 -7.352 31.351) 34.628 11.107 ( 1.885 1.088 6.014) 6.396 11.464 ( -7.009 -4.047 -0.829) 8.136 11.507 ( -3.811 -2.200 3.318) 5.512 11.589 ( -0.007 -0.004 -0.146) 0.146 11.704 ( 4.042 2.333 2.440) 5.266 11.807 ( -2.598 -1.500 -4.699) 5.575 11.926 ( -1.134 -0.654 -7.377) 7.493 12.133 ( 1.604 0.926 1.203) 2.208 12.281 ( 8.842 5.105 6.371) 12.035 12.405 ( 6.022 3.477 1.846) 7.195 13.308 ( -2.995 -1.729 4.509) 5.683 16.139 ( 0.845 0.488 1.472) 1.766 16.509 ( -1.486 -0.858 -2.951) 3.414 16.731 ( 1.005 0.581 1.949) 2.269 17.188 ( 14.355 8.288 -13.688) 21.498 17.542 ( 0.189 0.109 -1.613) 1.628 17.558 ( 0.085 0.049 -0.179) 0.205 19.425 ( 1.466 0.846 -14.489) 14.588 20.177 ( -14.769 -8.527 9.208) 19.380 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 20.760 11.986 11.745) 26.694 1.434 ( 23.065 13.316 9.905) 28.415 1.778 ( 23.104 13.339 27.779) 38.515 2.253 ( 6.089 3.515 -0.788) 7.075 2.281 ( 8.333 4.811 2.106) 9.850 2.445 ( 9.966 5.754 -6.495) 13.214 2.569 ( 10.230 5.906 -5.027) 12.838 2.985 ( 1.988 1.148 2.041) 3.072 3.162 ( -0.000 -0.000 -0.188) 0.188 3.180 ( 0.662 0.382 -2.251) 2.377 3.429 ( 0.903 0.521 -0.192) 1.060 3.583 ( -2.607 -1.505 1.209) 3.243 3.621 ( -1.390 -0.802 -3.262) 3.635 3.876 ( -0.411 -0.237 -4.101) 4.128 4.000 ( 1.288 0.744 4.297) 4.547 4.079 ( -0.042 -0.025 4.589) 4.590 4.179 ( 3.361 1.940 1.413) 4.130 4.254 ( -3.201 -1.848 -3.354) 4.991 4.373 ( -3.584 -2.069 0.567) 4.177 4.438 ( 1.407 0.812 -0.562) 1.719 4.558 ( 1.073 0.620 -1.434) 1.896 4.618 ( -0.774 -0.447 0.108) 0.901 5.012 ( -11.090 -6.403 -7.726) 14.956 5.611 ( -4.458 -2.574 -15.997) 16.805 5.889 ( 1.866 1.077 1.382) 2.559 6.199 ( 0.221 0.128 0.556) 0.612 6.207 ( -0.123 -0.071 1.633) 1.639 6.424 ( 0.220 0.127 -1.184) 1.211 6.753 ( -1.200 -0.693 -2.119) 2.532 6.859 ( 0.258 0.149 0.455) 0.544 8.762 ( -0.563 -0.325 -0.368) 0.747 8.841 ( 0.630 0.364 0.942) 1.190 8.966 ( -0.011 -0.006 2.798) 2.798 9.213 ( 0.870 0.503 -8.590) 8.649 9.232 ( -1.866 -1.077 -2.448) 3.261 9.361 ( -1.539 -0.889 15.915) 16.014 9.563 ( 2.289 1.321 9.089) 9.466 9.799 ( -5.579 -3.221 0.266) 6.447 10.231 ( -2.233 -1.289 -7.761) 8.178 10.296 ( -2.017 -1.165 -5.535) 6.005 10.425 ( -1.098 -0.634 16.023) 16.073 11.185 ( 2.671 1.542 6.640) 7.322 11.218 ( -11.951 -6.900 -1.315) 13.862 11.486 ( 1.479 0.854 -2.179) 2.768 11.584 ( -0.283 -0.164 -0.759) 0.826 11.731 ( -2.242 -1.294 -4.198) 4.932 11.790 ( 2.430 1.403 1.922) 3.401 11.939 ( 2.901 1.675 -0.005) 3.350 12.170 ( 1.115 0.644 0.495) 1.379 12.470 ( 1.943 1.122 4.620) 5.136 12.605 ( 12.614 7.283 3.183) 14.909 13.307 ( 1.213 0.701 1.761) 2.250 16.175 ( 1.698 0.980 1.343) 2.377 16.463 ( -1.352 -0.781 -2.710) 3.128 16.767 ( 1.344 0.776 2.068) 2.585 17.392 ( 5.118 2.955 -4.712) 7.559 17.544 ( 0.554 0.320 -1.721) 1.837 17.573 ( 2.999 1.732 0.655) 3.524 19.308 ( -6.020 -3.475 -12.194) 14.036 19.833 ( -16.415 -9.477 5.752) 19.808 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 17.689 10.213 7.162) 21.644 1.950 ( 17.174 9.915 7.350) 21.149 2.381 ( 20.046 11.573 17.884) 29.251 2.408 ( 7.408 4.277 -1.336) 8.657 2.480 ( 6.098 3.520 8.857) 11.315 2.670 ( 9.639 5.565 -4.367) 11.956 2.784 ( 9.237 5.333 -8.021) 13.346 3.042 ( 3.283 1.896 -3.630) 5.249 3.166 ( 0.059 0.034 2.468) 2.468 3.184 ( 0.091 0.053 -2.114) 2.117 3.488 ( 4.379 2.528 -1.375) 5.240 3.558 ( 0.150 0.086 -0.278) 0.327 3.575 ( -1.938 -1.119 -0.347) 2.264 3.850 ( -0.384 -0.222 -3.413) 3.441 4.044 ( 0.866 0.500 3.982) 4.106 4.116 ( 1.732 1.000 2.942) 3.558 4.156 ( -3.977 -2.296 -2.732) 5.344 4.241 ( 1.804 1.042 0.189) 2.092 4.278 ( -4.257 -2.458 0.192) 4.919 4.462 ( -0.402 -0.232 0.706) 0.845 4.559 ( 0.516 0.298 -8.964) 8.984 4.597 ( -0.886 -0.512 -0.302) 1.067 4.730 ( -10.146 -5.858 1.450) 11.805 5.372 ( -11.001 -6.352 -9.456) 15.836 5.938 ( 1.888 1.090 0.383) 2.214 6.207 ( -0.316 -0.183 1.215) 1.269 6.209 ( 0.442 0.255 0.763) 0.918 6.426 ( 0.284 0.164 -1.186) 1.230 6.722 ( -0.894 -0.516 -0.923) 1.385 6.859 ( -0.496 -0.287 1.549) 1.652 8.749 ( -0.376 -0.217 -0.471) 0.640 8.845 ( -0.286 -0.165 -0.589) 0.675 8.979 ( -0.347 -0.200 4.467) 4.485 9.170 ( -2.664 -1.538 -0.662) 3.146 9.184 ( -0.515 -0.297 -5.165) 5.199 9.422 ( 2.148 1.240 7.492) 7.892 9.656 ( 2.662 1.537 7.153) 7.786 9.701 ( -2.726 -1.574 -0.525) 3.191 10.149 ( -2.149 -1.241 -7.080) 7.503 10.209 ( -2.663 -1.538 -9.678) 10.155 10.463 ( -0.298 -0.172 12.530) 12.535 10.949 ( -10.015 -5.782 1.317) 11.639 11.273 ( 2.582 1.491 5.491) 6.248 11.547 ( 4.470 2.581 -5.302) 7.399 11.570 ( -0.417 -0.241 -1.909) 1.969 11.677 ( -1.425 -0.823 -1.813) 2.448 11.836 ( 1.056 0.610 1.131) 1.663 12.030 ( 3.661 2.114 4.033) 5.843 12.188 ( 0.442 0.255 -0.258) 0.572 12.482 ( -1.272 -0.735 2.561) 2.952 12.910 ( 10.998 6.350 2.000) 12.856 13.360 ( 2.398 1.384 1.885) 3.350 16.227 ( 2.221 1.282 1.106) 2.793 16.426 ( -1.081 -0.624 -1.848) 2.230 16.804 ( 1.154 0.666 1.408) 1.939 17.384 ( -2.695 -1.556 -2.048) 3.726 17.555 ( 0.726 0.419 -1.154) 1.426 17.735 ( 8.581 4.954 -0.087) 9.909 19.087 ( -8.762 -5.059 -9.382) 13.798 19.474 ( -14.389 -8.307 4.313) 17.165 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 11.574 6.682 0.777) 13.387 2.265 ( 7.223 4.170 4.121) 9.303 2.594 ( 0.320 0.185 11.856) 11.862 2.602 ( 8.960 5.173 -0.776) 10.375 2.812 ( 2.411 1.392 -1.108) 2.997 2.831 ( 12.374 7.144 2.953) 14.590 2.942 ( 6.103 3.524 0.238) 7.052 3.115 ( 3.502 2.022 -11.176) 11.885 3.148 ( -2.321 -1.340 -2.573) 3.715 3.199 ( 2.774 1.602 6.623) 7.356 3.525 ( -2.713 -1.567 2.465) 3.986 3.575 ( 1.324 0.765 -0.050) 1.530 3.617 ( 6.383 3.685 -3.786) 8.287 3.844 ( 0.543 0.313 -1.084) 1.252 4.051 ( -1.556 -0.899 0.810) 1.971 4.063 ( -2.609 -1.506 -0.187) 3.019 4.166 ( 1.221 0.705 2.237) 2.644 4.196 ( -2.239 -1.293 0.316) 2.605 4.267 ( -0.153 -0.088 -2.121) 2.128 4.403 ( -3.209 -1.853 -4.576) 5.888 4.497 ( -0.729 -0.421 -0.966) 1.281 4.578 ( -0.514 -0.297 -0.350) 0.689 4.637 ( -0.439 -0.254 3.776) 3.810 5.063 ( -11.575 -6.683 -5.361) 14.401 5.975 ( 1.191 0.688 -0.858) 1.621 6.201 ( -0.428 -0.247 0.411) 0.643 6.223 ( 0.379 0.219 1.157) 1.237 6.429 ( 0.299 0.172 -0.955) 1.016 6.708 ( -0.243 -0.140 1.197) 1.229 6.849 ( -0.796 -0.459 2.032) 2.230 8.742 ( -0.058 -0.033 -0.556) 0.560 8.831 ( -0.419 -0.242 -1.287) 1.375 8.968 ( -1.526 -0.881 1.739) 2.476 9.111 ( -2.025 -1.169 0.185) 2.346 9.175 ( 0.696 0.402 -0.743) 1.095 9.483 ( 1.671 0.965 0.010) 1.930 9.655 ( -1.895 -1.094 2.065) 3.009 9.719 ( 0.775 0.448 1.856) 2.061 10.097 ( -0.268 -0.155 -2.144) 2.166 10.126 ( -0.184 -0.106 -13.109) 13.111 10.499 ( -0.340 -0.196 11.580) 11.587 10.767 ( -6.185 -3.571 4.470) 8.426 11.329 ( 0.697 0.402 0.823) 1.151 11.566 ( 0.718 0.414 0.494) 0.965 11.639 ( 4.712 2.721 -7.037) 8.896 11.647 ( -0.911 -0.526 0.091) 1.056 11.851 ( 0.038 0.022 -0.032) 0.055 12.120 ( 1.928 1.113 5.553) 5.983 12.191 ( 0.051 0.030 -0.846) 0.848 12.452 ( -1.804 -1.042 4.135) 4.631 13.109 ( 5.463 3.154 -2.397) 6.748 13.421 ( 1.822 1.052 2.377) 3.174 16.284 ( 2.262 1.306 0.706) 2.706 16.395 ( -1.241 -0.716 -0.657) 1.576 16.827 ( 0.468 0.270 0.143) 0.559 17.306 ( -2.564 -1.480 -2.700) 4.007 17.569 ( 0.662 0.382 -0.048) 0.766 17.922 ( 6.740 3.891 -2.543) 8.188 18.856 ( -7.544 -4.355 -4.000) 9.585 19.222 ( -7.634 -4.408 4.037) 9.696 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.210 -0.698 1.200) 1.841 2.354 ( 3.860 2.229 -4.075) 6.039 2.534 ( -9.108 -5.259 7.218) 12.756 2.760 ( 0.142 0.082 1.927) 1.934 2.804 ( 0.733 0.423 -1.990) 2.163 2.908 ( -4.276 -2.469 -9.423) 10.638 3.027 ( 1.501 0.867 2.248) 2.839 3.100 ( -0.781 -0.451 -6.533) 6.595 3.187 ( 3.951 2.281 6.646) 8.061 3.336 ( 5.393 3.114 3.791) 7.290 3.449 ( -4.416 -2.550 1.420) 5.294 3.587 ( -0.847 -0.489 -1.348) 1.665 3.726 ( 1.798 1.038 -1.012) 2.310 3.854 ( 0.809 0.467 0.757) 1.202 4.019 ( -0.203 -0.117 -0.456) 0.513 4.037 ( 0.244 0.141 1.204) 1.237 4.141 ( -2.755 -1.591 -3.076) 4.425 4.169 ( -0.306 -0.176 -0.172) 0.392 4.273 ( 2.838 1.638 0.345) 3.295 4.341 ( -0.653 -0.377 0.154) 0.770 4.535 ( -1.064 -0.614 0.488) 1.322 4.574 ( 0.196 0.113 0.058) 0.234 4.634 ( -0.178 -0.103 -0.957) 0.978 4.909 ( 3.325 1.920 0.475) 3.869 5.985 ( 0.049 0.028 -1.642) 1.643 6.190 ( -0.439 -0.254 -0.566) 0.760 6.233 ( -0.005 -0.003 1.679) 1.679 6.433 ( 0.260 0.150 -0.552) 0.628 6.719 ( 0.454 0.262 3.251) 3.293 6.839 ( -0.613 -0.354 1.793) 1.928 8.742 ( 0.194 0.112 -0.463) 0.514 8.825 ( 0.512 0.296 -1.205) 1.343 8.928 ( -1.697 -0.980 -1.796) 2.658 9.083 ( -0.295 -0.171 0.113) 0.359 9.198 ( 0.786 0.454 2.082) 2.271 9.509 ( 0.943 0.545 -3.920) 4.068 9.608 ( -2.147 -1.240 1.647) 2.976 9.697 ( -1.912 -1.104 -4.419) 4.940 10.120 ( 3.203 1.849 -11.626) 12.200 10.129 ( 2.218 1.280 4.465) 5.147 10.520 ( -2.069 -1.194 11.686) 11.928 10.694 ( -0.896 -0.517 5.319) 5.419 11.307 ( -1.685 -0.973 -4.336) 4.753 11.605 ( 0.872 0.503 4.949) 5.051 11.635 ( 0.416 0.240 0.258) 0.546 11.699 ( 2.435 1.406 -8.735) 9.176 11.841 ( -0.946 -0.546 0.853) 1.386 12.142 ( -1.649 -0.952 4.824) 5.186 12.187 ( -0.012 -0.007 -1.322) 1.322 12.450 ( 0.140 0.081 6.548) 6.550 13.146 ( -0.851 -0.491 -6.482) 6.556 13.451 ( -0.252 -0.145 2.489) 2.506 16.321 ( -0.233 -0.134 -0.030) 0.271 16.374 ( 0.368 0.213 0.733) 0.848 16.826 ( -0.417 -0.241 -1.155) 1.251 17.265 ( 0.295 0.170 -3.312) 3.329 17.584 ( 0.350 0.202 1.082) 1.155 17.982 ( -0.890 -0.514 -7.596) 7.665 18.772 ( 1.806 1.042 2.056) 2.928 19.150 ( 0.041 0.023 5.122) 5.122 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -17.564 -10.141 1.008) 20.307 2.212 ( -10.111 -5.838 -0.303) 11.679 2.389 ( -0.844 -0.487 -6.149) 6.226 2.631 ( -7.928 -4.577 1.416) 9.264 2.651 ( -15.098 -8.717 -3.224) 17.729 2.823 ( -1.551 -0.895 -0.836) 1.976 3.058 ( -1.024 -0.591 -4.907) 5.047 3.059 ( -1.578 -0.911 6.124) 6.389 3.241 ( -0.656 -0.378 2.243) 2.368 3.310 ( -6.336 -3.658 4.151) 8.412 3.481 ( 4.973 2.871 0.397) 5.756 3.522 ( -2.722 -1.571 -4.716) 5.667 3.653 ( -5.689 -3.285 -0.931) 6.635 3.904 ( 1.427 0.824 3.897) 4.231 4.010 ( -0.788 -0.455 -1.658) 1.892 4.092 ( -0.427 -0.247 -3.485) 3.520 4.096 ( 3.914 2.260 1.736) 4.842 4.193 ( 2.580 1.489 0.052) 2.979 4.309 ( -2.944 -1.700 2.058) 3.974 4.388 ( 4.879 2.817 -2.729) 6.261 4.484 ( 1.248 0.720 -2.580) 2.955 4.585 ( 0.569 0.329 0.147) 0.673 4.661 ( 2.605 1.504 3.287) 4.455 5.167 ( 14.346 8.283 2.773) 16.796 5.966 ( -1.178 -0.680 -1.508) 2.031 6.178 ( -0.210 -0.121 -1.402) 1.423 6.234 ( -0.493 -0.284 2.148) 2.222 6.436 ( 0.137 0.079 -0.223) 0.273 6.749 ( 0.853 0.492 4.287) 4.398 6.834 ( -0.222 -0.128 0.828) 0.867 8.747 ( 0.340 0.196 -0.122) 0.411 8.849 ( 1.776 1.025 -1.022) 2.291 8.877 ( -1.656 -0.956 -3.484) 3.974 9.098 ( 1.670 0.964 -0.866) 2.114 9.220 ( 0.173 0.100 2.314) 2.323 9.466 ( -3.022 -1.745 -2.204) 4.128 9.616 ( 2.470 1.426 -1.531) 3.237 9.619 ( -2.798 -1.615 -5.310) 6.216 10.170 ( 3.722 2.149 -8.970) 9.947 10.212 ( 2.791 1.612 6.316) 7.091 10.477 ( -4.257 -2.458 9.630) 10.812 10.777 ( 5.694 3.287 6.458) 9.216 11.233 ( -2.782 -1.606 -5.704) 6.547 11.608 ( -0.683 -0.395 1.741) 1.911 11.689 ( -0.275 -0.159 -9.414) 9.420 11.690 ( 2.317 1.338 4.539) 5.269 11.806 ( -2.772 -1.600 2.749) 4.219 12.098 ( -2.975 -1.718 4.613) 5.752 12.181 ( -0.128 -0.074 -1.819) 1.825 12.490 ( 0.766 0.442 6.098) 6.161 13.029 ( -6.598 -3.809 -8.313) 11.276 13.425 ( -2.501 -1.444 1.984) 3.504 16.280 ( -2.495 -1.441 0.237) 2.891 16.410 ( 1.709 0.987 0.676) 2.086 16.801 ( -1.110 -0.641 -1.867) 2.265 17.297 ( 3.206 1.851 -3.169) 4.873 17.592 ( -0.134 -0.077 1.684) 1.691 17.855 ( -6.249 -3.608 -7.744) 10.584 18.936 ( 10.105 5.834 1.654) 11.785 19.252 ( 6.479 3.740 6.580) 9.963 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -21.803 -12.588 -0.462) 25.180 1.859 ( -19.128 -11.044 -0.601) 22.096 2.166 ( -23.509 -13.573 1.127) 27.169 2.334 ( -3.738 -2.158 -3.147) 5.342 2.441 ( -8.179 -4.722 1.503) 9.564 2.715 ( -6.988 -4.034 -0.724) 8.101 2.920 ( -11.363 -6.560 2.359) 13.331 3.009 ( -2.012 -1.161 -2.533) 3.437 3.203 ( -3.038 -1.754 1.455) 3.798 3.229 ( -0.334 -0.193 1.252) 1.310 3.457 ( -1.873 -1.082 -3.576) 4.179 3.541 ( -1.891 -1.092 -1.179) 2.481 3.588 ( 3.631 2.096 1.204) 4.362 3.945 ( 1.174 0.678 4.446) 4.648 3.972 ( -1.459 -0.842 -2.241) 2.804 4.054 ( -2.365 -1.366 -2.104) 3.448 4.210 ( 4.564 2.635 2.116) 5.680 4.239 ( -2.746 -1.586 0.224) 3.179 4.276 ( 3.929 2.269 0.005) 4.537 4.439 ( 0.356 0.206 -1.571) 1.624 4.533 ( 2.117 1.222 -3.295) 4.103 4.598 ( 0.582 0.336 -0.213) 0.705 4.833 ( 10.309 5.952 2.856) 12.241 5.522 ( 13.879 8.013 2.310) 16.191 5.922 ( -2.001 -1.155 -0.812) 2.449 6.172 ( 0.177 0.102 -1.572) 1.586 6.227 ( -0.746 -0.431 2.395) 2.545 6.437 ( -0.031 -0.018 -0.160) 0.164 6.785 ( 0.828 0.478 4.006) 4.119 6.833 ( 0.088 0.051 -0.594) 0.603 8.758 ( 0.483 0.279 0.243) 0.608 8.830 ( -1.107 -0.639 -3.624) 3.843 8.894 ( 1.965 1.135 -0.103) 2.271 9.148 ( 2.809 1.622 -2.696) 4.218 9.208 ( -1.658 -0.957 -0.758) 2.059 9.396 ( -2.377 -1.372 1.794) 3.279 9.539 ( -2.623 -1.514 -2.486) 3.919 9.684 ( 3.727 2.152 -2.134) 4.803 10.217 ( 2.321 1.340 -5.918) 6.497 10.295 ( 2.257 1.303 5.071) 5.702 10.413 ( -3.328 -1.922 6.904) 7.901 10.992 ( 10.092 5.827 6.079) 13.143 11.145 ( -2.796 -1.614 -4.789) 5.776 11.599 ( -0.448 -0.259 0.662) 0.840 11.629 ( -2.300 -1.328 -5.480) 6.090 11.733 ( -3.353 -1.936 -0.276) 3.881 11.762 ( 2.252 1.300 5.047) 5.678 12.051 ( -2.466 -1.424 5.615) 6.296 12.165 ( -0.612 -0.353 -2.354) 2.458 12.507 ( -1.350 -0.780 3.940) 4.237 12.787 ( -10.778 -6.223 -7.765) 14.669 13.362 ( -2.975 -1.718 1.556) 3.772 16.219 ( -2.564 -1.480 0.358) 2.982 16.451 ( 1.589 0.918 0.214) 1.848 16.764 ( -1.352 -0.781 -1.758) 2.351 17.378 ( 4.102 2.368 -2.097) 5.180 17.589 ( -0.584 -0.337 1.566) 1.705 17.669 ( -7.049 -4.070 -5.618) 9.890 19.208 ( 11.855 6.844 -1.325) 13.753 19.488 ( 11.061 6.386 6.681) 14.413 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -23.546 -13.594 4.006) 27.482 1.329 ( -24.991 -14.429 1.058) 28.877 1.542 ( -29.359 -16.950 7.150) 34.646 2.232 ( -4.303 -2.484 -0.325) 4.979 2.262 ( -6.975 -4.027 0.109) 8.054 2.519 ( -8.616 -4.975 -0.244) 9.952 2.615 ( -12.888 -7.441 -2.163) 15.038 2.952 ( -2.185 -1.261 -0.162) 2.528 3.169 ( -0.415 -0.240 -0.293) 0.562 3.210 ( -1.442 -0.833 -0.053) 1.666 3.421 ( -0.037 -0.021 -1.208) 1.209 3.554 ( 2.276 1.314 0.414) 2.661 3.658 ( 2.091 1.207 -0.068) 2.415 3.937 ( -0.810 -0.468 -1.087) 1.434 3.969 ( -3.144 -1.815 1.986) 4.138 4.006 ( 1.996 1.152 0.491) 2.356 4.161 ( -4.216 -2.434 0.175) 4.872 4.310 ( 3.067 1.771 1.411) 3.812 4.364 ( 3.358 1.939 -0.035) 3.878 4.434 ( 0.074 0.043 -0.453) 0.461 4.541 ( -0.626 -0.362 -1.894) 2.027 4.611 ( 0.591 0.341 -0.476) 0.832 5.104 ( 11.292 6.519 -1.415) 13.116 5.806 ( 9.449 5.456 -2.777) 11.259 5.872 ( -1.982 -1.145 0.056) 2.290 6.175 ( 0.397 0.229 -1.007) 1.106 6.219 ( -0.641 -0.370 2.305) 2.421 6.434 ( -0.125 -0.072 -0.310) 0.342 6.814 ( 0.465 0.268 2.690) 2.743 6.833 ( 0.287 0.166 -2.065) 2.092 8.771 ( 0.520 0.300 0.410) 0.727 8.803 ( -0.360 -0.208 -1.394) 1.455 8.934 ( 1.271 0.734 0.440) 1.532 9.150 ( -2.407 -1.389 1.271) 3.056 9.201 ( 2.767 1.598 -5.275) 6.167 9.361 ( -1.461 -0.844 1.608) 2.331 9.483 ( -1.940 -1.120 2.403) 3.285 9.779 ( 4.845 2.797 -0.387) 5.608 10.229 ( -0.424 -0.245 -0.150) 0.512 10.350 ( 1.256 0.725 2.170) 2.610 10.379 ( -1.103 -0.637 3.611) 3.829 11.075 ( -1.885 -1.088 -2.289) 3.158 11.273 ( 11.006 6.354 4.872) 13.611 11.553 ( -2.938 -1.696 0.455) 3.422 11.592 ( -0.222 -0.128 0.048) 0.261 11.667 ( -0.847 -0.489 -5.911) 5.991 11.831 ( 2.102 1.214 4.203) 4.853 12.020 ( -1.883 -1.087 5.175) 5.614 12.134 ( -1.228 -0.709 -2.651) 3.007 12.401 ( -9.631 -5.561 0.339) 11.126 12.537 ( -6.329 -3.654 -2.560) 7.744 13.307 ( -2.052 -1.185 1.558) 2.835 16.166 ( -1.959 -1.131 0.422) 2.301 16.489 ( 1.711 0.988 -0.599) 2.064 16.729 ( -1.102 -0.636 -0.985) 1.609 17.448 ( -1.080 -0.624 -0.282) 1.279 17.500 ( -2.500 -1.444 -5.108) 5.868 17.577 ( -0.785 -0.453 0.887) 1.269 19.449 ( 8.844 5.106 -5.230) 11.474 19.801 ( 12.664 7.311 6.487) 15.997 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.000 25.864 16.179) 30.508 0.848 ( 0.000 23.638 18.879) 30.252 1.289 ( 0.000 19.629 45.803) 49.832 2.085 ( -0.000 5.884 -5.541) 8.082 2.126 ( -0.000 6.531 -3.865) 7.589 2.300 ( -0.000 7.335 -3.818) 8.269 2.325 ( -0.000 6.268 -1.763) 6.511 2.946 ( 0.000 0.534 4.240) 4.273 3.154 ( -0.000 0.117 -1.129) 1.135 3.168 ( -0.000 0.719 -1.561) 1.719 3.425 ( -0.000 -0.968 -0.648) 1.165 3.645 ( -0.000 -0.211 -5.390) 5.394 3.703 ( 0.000 -9.640 2.444) 9.945 3.921 ( -0.000 -1.244 -2.191) 2.519 3.945 ( 0.000 -0.379 2.670) 2.697 4.062 ( 0.000 5.954 1.856) 6.237 4.144 ( 0.000 -5.472 9.063) 10.587 4.343 ( -0.000 -0.699 -2.381) 2.482 4.434 ( -0.000 -0.218 -1.009) 1.032 4.441 ( 0.000 -2.300 1.196) 2.592 4.486 ( -0.000 0.742 -0.992) 1.239 4.621 ( -0.000 -0.796 -0.082) 0.800 5.231 ( -0.000 -6.726 -10.059) 12.100 5.541 ( -0.000 18.874 -28.183) 33.920 5.852 ( 0.000 1.104 2.092) 2.365 6.187 ( 0.000 -0.821 0.780) 1.132 6.222 ( 0.000 1.524 1.552) 2.175 6.420 ( -0.000 0.119 -1.211) 1.217 6.797 ( -0.000 -0.029 -2.234) 2.235 6.828 ( -0.000 0.825 -0.330) 0.888 8.785 ( 0.000 -0.226 0.196) 0.299 8.795 ( -0.000 0.541 -0.525) 0.754 8.969 ( 0.000 -1.024 1.727) 2.008 9.167 ( -0.000 -2.272 -5.721) 6.155 9.269 ( -0.000 2.866 -5.292) 6.018 9.419 ( 0.000 -8.696 18.945) 20.845 9.551 ( 0.000 0.266 8.764) 8.768 9.965 ( 0.000 -10.022 0.815) 10.055 10.276 ( -0.000 -1.949 -3.961) 4.415 10.330 ( -0.000 0.701 -5.535) 5.580 10.605 ( 0.000 -16.674 27.553) 32.206 11.076 ( 0.000 -0.340 4.679) 4.691 11.516 ( 0.000 -2.029 1.879) 2.765 11.538 ( 0.000 -4.215 0.192) 4.220 11.585 ( -0.000 0.028 -0.398) 0.399 11.657 ( 0.000 -5.876 2.131) 6.251 11.883 ( -0.000 0.621 -1.720) 1.828 11.913 ( -0.000 7.446 -5.171) 9.066 12.084 ( -0.000 -0.090 -0.327) 0.339 12.266 ( 0.000 7.105 5.551) 9.017 12.416 ( 0.000 6.468 1.598) 6.663 13.336 ( 0.000 -3.242 3.890) 5.064 16.147 ( 0.000 0.958 2.126) 2.332 16.497 ( -0.000 -1.716 -3.433) 3.838 16.716 ( 0.000 0.179 1.295) 1.307 17.136 ( -0.000 17.422 -11.733) 21.004 17.527 ( -0.000 -1.713 -1.402) 2.213 17.555 ( -0.000 1.078 -1.023) 1.486 19.385 ( -0.000 1.509 -11.294) 11.394 20.225 ( 0.000 -15.164 6.962) 16.686 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 10.612 20.614 14.730) 27.468 1.322 ( 14.381 22.691 12.796) 29.756 1.760 ( 11.060 20.209 35.361) 42.203 2.206 ( 6.519 8.568 -2.840) 11.135 2.214 ( 3.030 6.073 -1.220) 6.896 2.394 ( 3.540 11.301 -6.428) 13.475 2.464 ( 6.759 6.881 -3.990) 10.438 2.970 ( 1.147 -0.184 1.637) 2.007 3.161 ( 0.124 0.709 0.913) 1.162 3.177 ( 0.526 1.598 -2.187) 2.760 3.412 ( 0.348 -1.134 -0.683) 1.368 3.595 ( -2.033 -3.926 -0.929) 4.518 3.629 ( -0.643 -0.474 -3.191) 3.290 3.887 ( -1.778 1.118 -3.107) 3.750 3.982 ( 2.278 -0.301 3.317) 4.036 4.115 ( -1.161 -0.505 5.229) 5.380 4.150 ( 2.423 2.525 2.064) 4.063 4.294 ( -3.291 -0.532 -2.573) 4.211 4.396 ( -0.258 -1.478 -0.902) 1.750 4.423 ( -1.351 -1.191 0.092) 1.803 4.517 ( 2.430 -0.973 -2.605) 3.693 4.613 ( -0.027 -1.278 -0.029) 1.279 5.058 ( -5.900 -8.611 -8.223) 13.288 5.583 ( -0.706 2.355 -18.428) 18.592 5.881 ( 1.018 1.344 1.659) 2.365 6.184 ( 0.488 -0.959 0.793) 1.337 6.236 ( -0.820 1.516 1.669) 2.399 6.418 ( 0.122 0.177 -1.336) 1.353 6.773 ( -1.639 0.586 -1.466) 2.275 6.850 ( 1.013 0.498 -0.045) 1.129 8.769 ( -0.742 -0.388 -0.247) 0.873 8.819 ( 1.785 -0.559 0.132) 1.875 8.964 ( 0.244 -1.039 1.638) 1.955 9.142 ( 1.573 -1.833 -5.281) 5.807 9.267 ( -1.483 2.540 -5.008) 5.807 9.403 ( -0.447 -5.864 18.047) 18.981 9.588 ( 0.954 0.604 8.351) 8.427 9.830 ( -3.622 -7.771 0.171) 8.575 10.228 ( -1.501 -1.878 -6.287) 6.731 10.303 ( -1.514 0.290 -6.051) 6.244 10.517 ( -4.480 -3.137 18.100) 18.908 11.116 ( 1.973 -3.369 3.911) 5.526 11.375 ( -7.383 -4.396 -0.779) 8.628 11.468 ( -1.493 -2.667 0.697) 3.136 11.627 ( -1.468 3.421 2.790) 4.652 11.648 ( 3.843 -3.541 -2.948) 6.000 11.856 ( -2.093 4.210 -2.065) 5.135 11.966 ( -1.169 6.146 -0.728) 6.298 12.137 ( 4.036 0.376 0.951) 4.164 12.463 ( 5.834 6.374 6.715) 10.943 12.490 ( 4.752 4.167 0.662) 6.355 13.321 ( -0.714 0.886 2.361) 2.621 16.173 ( 0.662 1.604 2.029) 2.669 16.459 ( -0.723 -1.329 -3.410) 3.731 16.753 ( 2.312 0.615 1.649) 2.906 17.317 ( 6.069 9.462 -6.626) 13.048 17.495 ( 0.105 -3.673 -1.055) 3.823 17.578 ( 1.328 2.159 -0.988) 2.720 19.305 ( -3.271 -4.307 -10.893) 12.161 19.984 ( -10.781 -14.157 5.638) 18.667 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 13.133 15.287 10.715) 22.825 1.844 ( 14.728 18.552 9.439) 25.498 2.285 ( 13.334 15.434 22.936) 30.693 2.340 ( 5.397 5.316 0.360) 7.585 2.435 ( 8.053 7.942 3.629) 11.878 2.596 ( 6.793 12.829 -6.433) 15.878 2.652 ( 8.789 6.232 -6.537) 12.602 2.994 ( 2.023 0.037 -3.611) 4.139 3.178 ( -0.306 0.948 4.231) 4.346 3.203 ( 0.407 3.361 -2.194) 4.034 3.420 ( 2.673 -1.298 -1.678) 3.412 3.545 ( 0.025 -1.267 -1.403) 1.891 3.607 ( -1.192 0.992 -1.241) 1.987 3.858 ( -1.539 1.035 -2.720) 3.292 4.035 ( 2.275 0.044 3.328) 4.031 4.120 ( 0.122 0.408 3.293) 3.321 4.197 ( -1.487 -1.139 -1.670) 2.509 4.221 ( -1.229 0.739 -0.596) 1.553 4.330 ( -3.906 -2.472 -0.270) 4.631 4.433 ( 2.821 -1.135 -0.225) 3.049 4.509 ( 0.189 -2.223 -7.963) 8.270 4.592 ( -0.346 -1.744 -0.335) 1.809 4.827 ( -7.874 -7.189 -0.499) 10.674 5.434 ( -7.233 -5.607 -11.173) 14.443 5.922 ( 1.458 1.261 0.620) 2.025 6.191 ( 0.886 -0.766 0.982) 1.528 6.238 ( -1.155 1.233 1.181) 2.061 6.418 ( 0.224 0.198 -1.330) 1.363 6.747 ( -1.760 1.193 -0.368) 2.158 6.865 ( 0.159 0.007 1.113) 1.124 8.753 ( -0.527 -0.412 -0.307) 0.737 8.835 ( 0.850 -0.985 -0.312) 1.338 8.970 ( 0.978 -1.851 2.286) 3.100 9.134 ( 1.255 -1.637 -3.302) 3.893 9.230 ( -3.153 1.641 -3.808) 5.210 9.425 ( 1.188 -2.248 12.617) 12.870 9.656 ( 2.251 0.826 6.604) 7.025 9.707 ( -2.205 -4.888 -1.335) 5.526 10.143 ( -2.033 -2.804 -7.307) 8.086 10.234 ( -3.746 0.815 -8.422) 9.253 10.508 ( -1.481 -1.056 14.256) 14.371 11.010 ( -5.731 -9.008 -0.848) 10.710 11.298 ( -1.478 1.058 7.820) 8.028 11.477 ( 3.903 1.064 -4.283) 5.892 11.599 ( -1.944 -1.069 -1.185) 2.516 11.679 ( 0.040 2.857 -0.348) 2.878 11.872 ( -0.855 4.419 -2.407) 5.104 12.029 ( 1.195 4.449 3.855) 6.007 12.207 ( 1.391 3.520 -0.710) 3.851 12.493 ( -0.524 -1.382 3.308) 3.623 12.764 ( 11.687 5.587 2.507) 13.194 13.349 ( 1.159 1.727 2.374) 3.157 16.216 ( 1.297 1.832 1.690) 2.810 16.425 ( -0.604 -0.819 -2.599) 2.792 16.809 ( 1.543 2.293 1.307) 3.057 17.402 ( -1.974 -0.599 -2.125) 2.961 17.494 ( 4.879 -1.257 -2.890) 5.808 17.664 ( 5.008 5.234 -0.400) 7.255 19.118 ( -6.253 -7.189 -9.441) 13.413 19.641 ( -13.552 -12.116 4.759) 18.791 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 10.588 9.158 4.709) 14.770 2.248 ( 7.471 12.964 6.649) 16.373 2.496 ( 7.421 4.636 2.265) 9.038 2.623 ( 4.565 4.490 8.444) 10.597 2.705 ( 10.231 8.665 -1.287) 13.469 2.802 ( 4.688 8.014 3.676) 9.986 2.869 ( 8.711 7.749 -0.736) 11.682 3.017 ( 2.299 0.901 -9.879) 10.183 3.190 ( -1.250 1.937 2.495) 3.397 3.239 ( -0.662 3.520 2.520) 4.379 3.479 ( 5.923 -0.440 -3.422) 6.854 3.556 ( 1.601 0.801 -0.776) 1.952 3.604 ( -0.858 2.680 0.691) 2.897 3.842 ( -0.415 1.119 -1.300) 1.765 4.071 ( -0.036 -0.384 2.053) 2.089 4.107 ( -3.629 -1.071 -2.003) 4.281 4.145 ( 0.665 -0.521 1.677) 1.878 4.212 ( -1.094 -2.437 -1.500) 3.064 4.260 ( -0.069 -0.444 0.523) 0.689 4.410 ( -3.306 -1.997 -8.165) 9.032 4.474 ( 2.146 -1.316 -2.716) 3.703 4.564 ( -0.284 -2.291 -0.571) 2.378 4.668 ( -3.756 -5.002 6.931) 9.336 5.164 ( -10.396 -8.092 -6.738) 14.797 5.958 ( 1.246 0.888 -0.707) 1.686 6.204 ( 0.583 -0.231 0.982) 1.166 6.232 ( -0.837 0.741 0.709) 1.324 6.420 ( 0.319 0.083 -1.106) 1.154 6.735 ( -1.341 1.578 1.273) 2.431 6.865 ( -0.582 -0.418 2.234) 2.346 8.740 ( -0.289 -0.448 -0.427) 0.682 8.832 ( 0.047 -0.117 -1.405) 1.411 8.962 ( 0.089 -3.085 1.348) 3.368 9.139 ( 0.597 -0.416 1.197) 1.401 9.171 ( -2.677 0.537 -2.620) 3.784 9.466 ( 1.084 -0.836 3.884) 4.118 9.653 ( 0.506 -2.920 0.803) 3.070 9.707 ( 0.917 -0.810 2.051) 2.389 10.069 ( 0.379 -2.257 -8.082) 8.400 10.145 ( -3.974 2.750 -8.168) 9.491 10.532 ( -0.313 -1.254 13.004) 13.068 10.825 ( -5.174 -7.225 3.276) 9.471 11.318 ( 0.331 -0.669 3.250) 3.335 11.529 ( 1.327 -2.242 -2.922) 3.914 11.601 ( 2.938 4.919 -1.603) 5.950 11.701 ( -1.845 4.711 -0.416) 5.076 11.886 ( -1.291 4.011 -3.493) 5.473 12.108 ( 1.370 2.002 6.031) 6.501 12.252 ( -1.148 5.862 -2.166) 6.354 12.471 ( -0.846 -3.043 6.368) 7.108 12.986 ( 8.804 1.028 -2.334) 9.166 13.403 ( 1.953 0.851 2.809) 3.525 16.266 ( 1.722 1.635 1.158) 2.642 16.400 ( -0.632 -0.656 -1.310) 1.595 16.857 ( -0.283 4.054 0.168) 4.067 17.321 ( -2.963 -2.760 -2.439) 4.728 17.546 ( 2.805 -0.330 -1.545) 3.219 17.831 ( 6.860 5.096 -1.820) 8.737 18.891 ( -6.245 -8.374 -5.795) 11.946 19.332 ( -10.138 -8.406 4.874) 14.042 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 5.480 2.952 -1.139) 6.328 2.408 ( -1.066 6.198 2.501) 6.768 2.642 ( -1.466 -1.542 10.723) 10.932 2.745 ( 2.921 6.023 0.256) 6.699 2.818 ( -0.446 0.893 -2.997) 3.159 2.927 ( -0.147 4.871 -8.150) 9.496 2.990 ( 1.122 -1.191 -2.465) 2.959 3.074 ( 4.470 4.257 1.772) 6.422 3.214 ( -0.592 4.125 -0.351) 4.182 3.300 ( 3.322 3.800 3.963) 6.417 3.529 ( -2.559 1.154 2.286) 3.620 3.590 ( 0.334 1.020 -0.679) 1.270 3.671 ( 5.132 3.261 -1.653) 6.301 3.850 ( 0.193 0.373 0.314) 0.524 4.037 ( -2.038 0.070 -0.886) 2.223 4.048 ( -1.173 -1.263 0.839) 1.917 4.112 ( -1.078 -3.976 -1.468) 4.373 4.217 ( 2.114 1.496 0.107) 2.592 4.251 ( -2.533 0.965 -1.404) 3.052 4.327 ( -0.021 -3.420 -1.637) 3.792 4.499 ( 3.046 -1.279 1.543) 3.646 4.552 ( 1.087 -1.874 0.514) 2.226 4.614 ( 0.055 -3.300 0.399) 3.324 4.916 ( -5.065 -4.178 -2.582) 7.055 5.977 ( 0.505 0.502 -1.710) 1.852 6.203 ( -0.915 0.477 -0.401) 1.107 6.236 ( 0.285 -0.028 1.745) 1.768 6.423 ( 0.466 -0.106 -0.718) 0.862 6.742 ( -0.577 1.545 2.820) 3.267 6.855 ( -0.853 -0.615 2.737) 2.932 8.731 ( 0.205 -0.558 -0.535) 0.800 8.830 ( -0.115 1.080 -2.201) 2.455 8.926 ( -0.899 -2.461 -0.220) 2.630 9.105 ( -2.321 0.078 -0.133) 2.326 9.181 ( 1.822 -0.449 2.004) 2.745 9.479 ( 1.156 -0.023 -2.462) 2.720 9.623 ( -1.708 -3.207 0.935) 3.752 9.698 ( -0.106 -1.219 -1.407) 1.865 10.044 ( 1.819 1.454 -14.398) 14.585 10.136 ( 1.087 2.569 2.425) 3.696 10.559 ( -0.339 -2.469 12.651) 12.895 10.712 ( -1.991 -4.883 6.354) 8.258 11.298 ( -1.289 -2.032 -2.582) 3.530 11.529 ( 3.471 -4.308 1.016) 5.625 11.692 ( -2.204 6.454 -0.281) 6.826 11.721 ( 0.564 6.664 -4.411) 8.012 11.886 ( -1.770 3.799 -2.771) 5.024 12.139 ( -1.106 -1.022 5.322) 5.531 12.274 ( -2.168 5.303 -1.046) 5.824 12.465 ( -0.014 -1.390 9.128) 9.233 13.072 ( 3.999 -3.262 -6.772) 8.514 13.444 ( 1.194 -0.810 2.711) 3.071 16.312 ( 1.309 0.793 0.306) 1.561 16.379 ( -0.627 -0.424 0.252) 0.798 16.879 ( -2.491 5.133 -0.875) 5.773 17.247 ( -1.038 -1.643 -3.486) 3.991 17.583 ( 1.712 0.127 0.336) 1.749 17.949 ( 1.872 2.908 -6.920) 7.736 18.733 ( 0.041 -6.427 0.539) 6.449 19.168 ( -2.835 -4.290 5.339) 7.412 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -1.400 -0.583 -1.582) 2.191 2.383 ( -6.666 2.060 0.271) 6.982 2.445 ( -15.404 -5.405 1.462) 16.390 2.707 ( -7.011 -5.431 -1.289) 8.962 2.805 ( -2.937 1.196 -0.268) 3.182 2.879 ( -6.073 2.880 -2.241) 7.085 3.030 ( 1.382 0.465 -0.488) 1.538 3.119 ( -1.917 2.349 2.160) 3.723 3.248 ( 0.276 0.345 0.912) 1.013 3.423 ( 2.866 3.447 -3.290) 5.561 3.447 ( -6.286 0.643 5.527) 8.395 3.554 ( -3.386 -0.239 -3.217) 4.677 3.707 ( -3.754 -2.431 -0.620) 4.516 3.883 ( 2.573 0.655 2.395) 3.576 4.011 ( 0.241 -0.492 -1.776) 1.859 4.055 ( 1.464 0.263 -1.462) 2.086 4.085 ( 1.633 0.887 1.086) 2.152 4.203 ( -1.775 2.058 -0.459) 2.757 4.306 ( 4.852 0.808 0.569) 4.951 4.317 ( 0.951 -2.178 0.912) 2.545 4.473 ( -1.587 -2.794 -2.088) 3.832 4.543 ( 1.868 -3.137 0.396) 3.673 4.628 ( 2.710 -0.890 1.064) 3.044 4.996 ( 12.266 4.697 0.382) 13.140 5.974 ( -0.588 0.218 -1.796) 1.903 6.187 ( -1.021 0.520 -1.192) 1.654 6.244 ( -0.099 -0.381 2.329) 2.362 6.429 ( 0.513 -0.137 -0.386) 0.657 6.765 ( 0.182 1.155 3.671) 3.853 6.843 ( -0.735 -0.704 2.153) 2.381 8.734 ( 0.849 -0.288 -0.442) 1.000 8.834 ( 0.375 0.936 -3.421) 3.567 8.884 ( -1.384 -1.083 -0.120) 1.762 9.087 ( 0.176 0.519 -0.396) 0.676 9.211 ( 1.173 -0.979 2.660) 3.068 9.476 ( -0.907 -0.556 -4.112) 4.248 9.578 ( 1.070 -1.416 -0.214) 1.788 9.660 ( -2.986 0.895 -3.388) 4.604 10.071 ( 4.418 1.795 -11.674) 12.610 10.214 ( 2.607 2.237 4.936) 6.014 10.527 ( -2.619 -6.175 10.573) 12.521 10.733 ( 3.938 -0.129 8.478) 9.348 11.224 ( -2.133 -3.186 -4.691) 6.059 11.562 ( 4.316 -4.085 1.197) 6.062 11.675 ( -3.506 3.841 -4.631) 6.964 11.788 ( -2.172 9.350 -2.170) 9.841 11.877 ( -2.719 2.315 1.082) 3.731 12.100 ( -2.020 -3.502 4.956) 6.396 12.270 ( -3.302 3.725 -0.348) 4.990 12.504 ( 0.504 1.074 8.333) 8.417 13.019 ( -1.272 -5.972 -8.556) 10.511 13.440 ( -0.748 -2.377 2.065) 3.237 16.307 ( -1.694 -0.915 0.017) 1.925 16.392 ( 1.428 0.585 0.846) 1.760 16.865 ( -4.297 4.653 -1.266) 6.459 17.240 ( 2.629 0.240 -3.794) 4.622 17.610 ( 0.420 0.598 1.563) 1.725 17.888 ( -5.130 -1.265 -8.983) 10.422 18.798 ( 9.637 -0.305 2.260) 9.903 19.179 ( 4.871 -1.516 6.073) 7.932 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -21.644 -6.588 0.111) 22.625 2.139 ( -18.554 -1.484 1.289) 18.658 2.333 ( -2.042 -1.321 -1.775) 3.011 2.447 ( -15.687 -8.610 4.365) 18.419 2.617 ( -13.589 -0.252 0.563) 13.603 2.819 ( -5.157 1.949 -2.672) 6.126 3.008 ( -3.644 -2.476 -1.467) 4.643 3.066 ( -6.191 -1.559 3.004) 7.055 3.210 ( -2.272 -2.228 -0.133) 3.186 3.322 ( -6.195 2.155 0.595) 6.586 3.461 ( -1.259 -0.356 -5.528) 5.681 3.554 ( 2.044 1.730 3.264) 4.222 3.576 ( -3.923 -2.061 -2.218) 4.956 3.911 ( 1.122 -2.098 1.774) 2.967 4.018 ( -0.921 2.043 -0.692) 2.345 4.063 ( -0.382 -0.361 -1.092) 1.212 4.170 ( 3.971 2.806 1.424) 5.067 4.241 ( 2.346 1.547 -0.081) 2.811 4.265 ( -1.615 -1.650 1.405) 2.702 4.396 ( 3.068 -0.185 -2.630) 4.045 4.486 ( 2.999 0.887 -1.486) 3.463 4.564 ( 2.955 -1.646 0.331) 3.398 4.709 ( 7.577 0.667 1.301) 7.717 5.321 ( 16.305 4.922 0.033) 17.032 5.948 ( -1.774 -0.011 -1.044) 2.058 6.173 ( -0.535 0.611 -1.420) 1.636 6.242 ( -0.513 -0.740 2.577) 2.730 6.434 ( 0.256 -0.046 -0.324) 0.415 6.796 ( 0.573 0.801 3.652) 3.783 6.829 ( -0.379 -0.987 0.486) 1.164 8.749 ( 0.856 0.151 -0.109) 0.876 8.821 ( -0.328 -0.550 -3.831) 3.884 8.879 ( 0.771 0.832 0.964) 1.489 9.113 ( 1.803 1.260 -1.833) 2.863 9.215 ( -0.365 -1.622 2.436) 2.949 9.424 ( -2.116 -0.997 -1.356) 2.704 9.599 ( -3.879 2.155 -2.490) 5.088 9.623 ( 3.637 0.895 -2.128) 4.308 10.138 ( 4.853 1.470 -7.772) 9.279 10.293 ( 1.911 1.280 4.731) 5.261 10.448 ( -2.340 -6.103 8.087) 10.398 10.884 ( 8.791 1.445 7.004) 11.333 11.139 ( -1.843 -2.949 -3.220) 4.739 11.596 ( 1.730 -1.856 0.174) 2.543 11.626 ( -1.645 1.921 -8.185) 8.567 11.781 ( -6.011 1.162 4.026) 7.327 11.869 ( -2.745 6.673 1.626) 7.397 12.055 ( -0.869 -3.117 4.166) 5.276 12.232 ( -3.813 1.557 -0.292) 4.129 12.545 ( -0.800 1.979 4.966) 5.405 12.850 ( -6.778 -6.896 -7.136) 12.018 13.392 ( -2.154 -2.613 1.563) 3.730 16.256 ( -2.704 -1.039 0.433) 2.929 16.428 ( 1.713 0.406 0.116) 1.764 16.820 ( -4.394 2.904 -1.082) 5.377 17.309 ( 4.835 1.691 -2.821) 5.848 17.615 ( -1.182 0.004 1.361) 1.803 17.732 ( -6.460 -1.735 -6.165) 9.097 19.029 ( 13.225 3.071 -1.529) 13.663 19.341 ( 11.220 -0.073 6.385) 12.910 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -24.755 -4.814 4.463) 25.611 1.716 ( -26.018 -3.160 2.622) 26.340 1.977 ( -27.719 -7.033 9.544) 30.148 2.282 ( -3.659 -1.064 1.113) 3.970 2.401 ( -10.530 -0.877 0.437) 10.576 2.678 ( -11.099 1.446 -2.699) 11.514 2.776 ( -12.966 -6.118 -2.740) 14.597 2.990 ( -3.014 0.381 -0.491) 3.078 3.167 ( -0.381 -1.304 0.293) 1.389 3.256 ( -3.911 0.600 -0.508) 3.989 3.420 ( -0.762 0.089 -2.530) 2.644 3.530 ( 0.953 0.229 0.281) 1.020 3.629 ( 2.389 0.844 0.365) 2.560 3.916 ( 1.263 -1.491 -0.027) 1.954 4.007 ( -2.219 -0.419 -2.125) 3.101 4.031 ( -1.792 1.446 3.819) 4.459 4.204 ( -2.297 -1.450 0.288) 2.732 4.268 ( 3.610 1.020 0.445) 3.778 4.334 ( 3.111 3.064 0.360) 4.381 4.406 ( 1.268 -1.969 -0.841) 2.489 4.533 ( 1.259 0.951 -1.627) 2.266 4.593 ( 1.387 -0.241 -0.277) 1.435 4.917 ( 13.036 1.563 -2.106) 13.297 5.625 ( 13.574 1.951 -3.929) 14.265 5.907 ( -2.390 -0.031 -0.049) 2.390 6.172 ( 0.039 0.676 -0.948) 1.165 6.232 ( -0.601 -0.956 2.426) 2.675 6.434 ( -0.057 0.002 -0.501) 0.504 6.811 ( -0.053 -1.214 -0.850) 1.483 6.827 ( 0.625 0.557 2.157) 2.314 8.763 ( 0.626 -0.002 -0.139) 0.641 8.805 ( -0.255 0.678 -1.185) 1.389 8.915 ( 1.756 0.494 1.008) 2.084 9.153 ( 1.905 1.353 -2.687) 3.561 9.198 ( -1.136 0.176 3.697) 3.872 9.371 ( -1.870 -1.820 -1.374) 2.949 9.550 ( -3.725 1.831 1.253) 4.335 9.705 ( 5.051 1.285 -1.309) 5.374 10.208 ( 3.183 1.610 -2.824) 4.549 10.334 ( 0.929 -1.101 3.653) 3.926 10.390 ( -0.821 -3.738 3.904) 5.467 11.067 ( 3.282 -1.701 -3.831) 5.324 11.132 ( 8.089 2.086 8.254) 11.744 11.547 ( -2.706 0.414 -6.174) 6.753 11.643 ( 2.341 0.313 -3.600) 4.306 11.676 ( -5.841 -1.879 5.107) 7.983 11.898 ( -2.593 5.720 1.420) 6.439 12.027 ( -0.676 -2.963 3.306) 4.491 12.168 ( -3.741 -0.426 0.208) 3.771 12.543 ( -3.514 2.295 2.142) 4.712 12.606 ( -10.554 -5.272 -2.879) 12.144 13.335 ( -2.149 -1.633 1.395) 3.038 16.200 ( -2.622 -0.664 0.625) 2.776 16.461 ( 1.755 0.232 -0.876) 1.975 16.770 ( -3.268 1.455 -0.225) 3.584 17.409 ( 4.831 1.885 -1.122) 5.306 17.541 ( -5.374 -2.662 -3.360) 6.875 17.627 ( -3.685 1.532 -0.194) 3.996 19.279 ( 12.087 2.502 -6.110) 13.772 19.606 ( 15.415 0.218 6.103) 16.580 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.000 22.016 16.286) 27.385 1.478 ( 0.000 25.087 11.822) 27.733 2.019 ( 0.000 22.226 32.890) 39.696 2.239 ( -0.000 11.924 -3.308) 12.374 2.255 ( -0.000 6.673 -0.273) 6.679 2.447 ( -0.000 7.384 -5.065) 8.954 2.487 ( -0.000 14.469 -7.195) 16.159 2.951 ( -0.000 -1.482 -0.883) 1.725 3.177 ( -0.000 1.667 -2.517) 3.019 3.186 ( 0.000 2.450 3.171) 4.007 3.393 ( -0.000 -1.402 -0.952) 1.695 3.570 ( -0.000 -4.438 -0.841) 4.517 3.610 ( -0.000 0.338 -4.337) 4.350 3.922 ( -0.000 2.721 -3.786) 4.662 3.958 ( 0.000 -0.296 2.812) 2.827 4.117 ( 0.000 -2.728 5.353) 6.009 4.181 ( 0.000 3.997 1.184) 4.168 4.301 ( -0.000 -1.889 -1.960) 2.722 4.378 ( 0.000 -4.471 0.886) 4.558 4.422 ( -0.000 -1.145 -0.832) 1.415 4.465 ( -0.000 -0.467 -5.471) 5.491 4.603 ( -0.000 -0.835 -0.167) 0.851 4.992 ( -0.000 -8.577 -5.877) 10.397 5.548 ( -0.000 -0.311 -15.644) 15.647 5.891 ( 0.000 1.208 1.496) 1.923 6.171 ( 0.000 -1.106 0.735) 1.328 6.267 ( 0.000 1.526 1.512) 2.148 6.414 ( -0.000 0.246 -1.344) 1.366 6.800 ( -0.000 1.556 -0.253) 1.576 6.843 ( -0.000 0.838 -0.304) 0.891 8.776 ( -0.000 -0.781 -0.125) 0.791 8.784 ( -0.000 -1.102 -0.635) 1.272 8.953 ( 0.000 -1.548 1.142) 1.924 9.097 ( -0.000 -1.250 -2.890) 3.149 9.292 ( -0.000 3.081 -5.373) 6.193 9.410 ( 0.000 -5.514 17.647) 18.488 9.597 ( 0.000 -1.435 6.903) 7.051 9.773 ( -0.000 -8.502 -0.621) 8.525 10.188 ( -0.000 -3.977 -6.277) 7.431 10.303 ( -0.000 0.937 -6.016) 6.088 10.604 ( 0.000 -0.933 14.779) 14.808 11.107 ( 0.000 -0.062 4.671) 4.672 11.328 ( -0.000 -8.571 -8.222) 11.877 11.473 ( 0.000 -4.862 4.890) 6.896 11.587 ( -0.000 0.516 -0.545) 0.751 11.702 ( 0.000 5.093 4.024) 6.491 11.878 ( -0.000 -0.105 -1.090) 1.095 12.058 ( -0.000 6.877 -1.550) 7.049 12.083 ( -0.000 0.281 -0.795) 0.843 12.505 ( 0.000 6.896 3.381) 7.681 12.519 ( 0.000 7.243 4.658) 8.611 13.350 ( 0.000 1.685 1.774) 2.447 16.196 ( 0.000 2.138 2.468) 3.265 16.439 ( -0.000 -1.101 -3.557) 3.723 16.733 ( 0.000 0.496 1.318) 1.408 17.347 ( -0.000 8.974 -5.606) 10.581 17.454 ( -0.000 -3.563 -0.550) 3.605 17.575 ( -0.000 1.588 -1.029) 1.892 19.248 ( -0.000 -6.171 -9.133) 11.023 19.941 ( 0.000 -15.938 4.000) 16.432 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.542 18.568 12.788) 22.998 1.870 ( 9.697 21.473 10.693) 25.874 2.331 ( 2.320 6.027 0.204) 6.461 2.389 ( 4.145 16.622 20.341) 26.594 2.418 ( 5.680 12.578 3.934) 14.351 2.557 ( 6.171 7.055 -6.587) 11.456 2.645 ( 2.686 16.015 -6.110) 17.350 2.944 ( 1.636 -0.583 -3.616) 4.012 3.198 ( 1.118 2.135 -0.580) 2.479 3.230 ( 0.242 3.379 2.469) 4.192 3.373 ( -0.134 -1.829 -1.327) 2.264 3.524 ( -0.112 -1.642 -1.660) 2.337 3.613 ( 0.862 0.662 -2.002) 2.278 3.902 ( -2.473 1.997 -2.129) 3.826 4.001 ( 2.399 0.342 1.577) 2.891 4.115 ( 0.775 -1.738 2.846) 3.424 4.207 ( -1.118 1.273 -0.402) 1.741 4.259 ( -1.658 -1.692 -0.956) 2.555 4.341 ( -0.123 -4.076 -0.395) 4.097 4.366 ( 0.036 -3.487 -4.846) 5.971 4.464 ( 0.388 0.306 -3.134) 3.173 4.586 ( -0.798 -1.161 -0.240) 1.429 4.858 ( -4.214 -7.093 -0.500) 8.266 5.431 ( -3.844 -6.594 -11.135) 13.500 5.915 ( 0.896 0.903 0.663) 1.434 6.170 ( 0.751 -0.904 0.913) 1.488 6.276 ( -1.044 1.268 0.883) 1.865 6.413 ( 0.097 0.290 -1.222) 1.260 6.799 ( -1.887 2.241 0.289) 2.944 6.863 ( 0.769 0.658 0.565) 1.159 8.756 ( -0.501 -0.741 0.005) 0.894 8.792 ( 1.782 -1.649 -0.788) 2.552 8.943 ( 0.377 -1.892 1.033) 2.188 9.090 ( 1.071 -0.690 -1.279) 1.805 9.285 ( -2.069 2.606 -4.768) 5.814 9.427 ( 0.662 -3.592 14.541) 14.993 9.626 ( 2.532 -1.812 5.098) 5.974 9.674 ( -1.224 -6.789 -1.080) 6.983 10.099 ( -1.320 -5.887 -7.671) 9.759 10.276 ( -1.974 1.635 -6.624) 7.103 10.620 ( -3.917 2.284 12.858) 13.634 11.027 ( -6.314 -4.908 -1.557) 8.148 11.325 ( 5.344 -0.894 3.541) 6.473 11.410 ( -1.189 -3.641 0.970) 3.951 11.587 ( -0.779 -1.031 -1.588) 2.047 11.751 ( -0.950 5.333 1.161) 5.540 11.892 ( 1.424 1.457 -2.741) 3.415 12.084 ( 0.151 4.099 2.259) 4.683 12.169 ( 4.783 3.024 -2.030) 6.012 12.523 ( -2.003 1.329 2.022) 3.141 12.695 ( 4.924 8.613 5.350) 11.272 13.373 ( -0.302 2.411 1.780) 3.012 16.231 ( 0.285 2.300 2.169) 3.174 16.416 ( -0.312 -0.489 -2.953) 3.010 16.783 ( 3.679 1.275 1.190) 4.071 17.372 ( 1.624 -5.942 -2.656) 6.708 17.455 ( -0.643 5.909 -2.204) 6.340 17.626 ( 3.962 2.871 -0.375) 4.908 19.106 ( -4.356 -7.632 -7.678) 11.669 19.717 ( -8.071 -14.095 3.098) 16.535 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 5.714 11.734 7.301) 14.955 2.285 ( 9.135 16.833 8.070) 20.783 2.448 ( 4.736 4.879 2.773) 7.343 2.612 ( 5.195 5.965 4.823) 9.264 2.645 ( 5.123 8.605 -4.118) 10.829 2.791 ( 8.977 9.530 5.051) 14.033 2.851 ( 3.569 12.810 0.198) 13.299 2.976 ( 2.039 3.520 -7.081) 8.167 3.244 ( -0.087 1.283 5.025) 5.187 3.290 ( 0.217 5.756 -0.073) 5.760 3.357 ( 3.950 -1.852 -3.634) 5.678 3.533 ( 1.677 1.307 -0.422) 2.167 3.634 ( 0.491 1.541 0.404) 1.668 3.875 ( -1.854 1.877 -1.409) 2.991 4.039 ( 1.785 -1.769 0.987) 2.700 4.130 ( 1.594 -1.245 0.858) 2.197 4.153 ( -3.454 -0.990 -2.099) 4.161 4.215 ( -2.270 -1.028 -1.476) 2.897 4.252 ( -1.461 -3.143 -3.404) 4.858 4.381 ( 3.632 -2.390 -3.124) 5.354 4.443 ( -2.229 1.081 -1.284) 2.790 4.552 ( -1.099 -1.752 -0.722) 2.191 4.707 ( -5.053 -7.101 4.922) 10.009 5.206 ( -7.417 -10.020 -7.281) 14.437 5.942 ( 1.197 0.557 -0.373) 1.372 6.186 ( 1.308 -0.449 1.217) 1.842 6.266 ( -1.507 1.056 0.000) 1.840 6.413 ( 0.106 0.156 -0.921) 0.940 6.789 ( -1.900 2.295 0.474) 3.017 6.878 ( -0.187 0.265 2.158) 2.182 8.741 ( -0.490 -0.613 0.101) 0.791 8.803 ( 1.697 -1.379 -1.426) 2.610 8.932 ( 0.338 -2.180 1.149) 2.487 9.109 ( 1.706 -0.382 0.844) 1.942 9.239 ( -3.829 1.589 -3.328) 5.316 9.456 ( 0.641 -2.162 7.832) 8.150 9.596 ( 0.975 -4.786 -0.233) 4.890 9.681 ( 2.230 -1.075 2.495) 3.515 9.986 ( -0.025 -6.556 -7.694) 10.109 10.223 ( -3.691 3.266 -7.319) 8.824 10.616 ( -3.872 1.975 11.498) 12.292 10.855 ( -5.818 -5.322 0.092) 7.886 11.330 ( -1.475 -3.075 6.387) 7.240 11.489 ( 3.374 2.525 -4.256) 5.989 11.550 ( 2.972 -1.310 1.138) 3.442 11.795 ( -1.137 6.037 -0.350) 6.153 11.918 ( 0.518 2.836 -5.199) 5.945 12.155 ( 0.521 4.740 4.647) 6.658 12.278 ( 3.755 4.460 -4.366) 7.284 12.489 ( -2.475 -2.031 7.143) 7.828 12.860 ( 5.196 2.776 -0.168) 5.893 13.403 ( 0.381 1.569 2.294) 2.805 16.267 ( 0.699 1.841 1.406) 2.420 16.398 ( -0.349 -0.124 -1.775) 1.813 16.879 ( 3.354 3.883 0.135) 5.132 17.316 ( 0.102 -5.906 0.036) 5.907 17.481 ( 0.573 1.654 -4.246) 4.593 17.767 ( 6.816 4.798 0.285) 8.340 18.894 ( -6.876 -8.693 -5.649) 12.440 19.432 ( -9.902 -10.531 3.242) 14.814 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 3.742 4.936 1.184) 6.306 2.488 ( 0.856 4.646 2.709) 5.446 2.651 ( 4.743 6.763 7.039) 10.853 2.767 ( 4.007 5.534 3.377) 7.622 2.793 ( 4.775 4.913 -3.227) 7.573 2.940 ( -0.089 2.840 -5.585) 6.267 2.997 ( -0.209 4.575 -1.278) 4.755 3.061 ( 4.714 7.966 1.633) 9.399 3.253 ( -0.579 2.257 -2.464) 3.391 3.317 ( 0.368 1.253 2.854) 3.139 3.502 ( 7.787 4.698 -0.729) 9.124 3.597 ( 1.575 3.530 1.938) 4.324 3.662 ( 0.121 2.111 0.983) 2.332 3.866 ( -1.011 1.541 -0.666) 1.960 4.027 ( 0.279 -3.866 -0.507) 3.910 4.075 ( -2.640 -0.917 -1.570) 3.206 4.126 ( -2.720 -0.719 0.617) 2.880 4.171 ( 1.086 -0.390 -2.294) 2.568 4.235 ( 2.979 -2.362 -1.141) 3.970 4.348 ( -3.939 0.635 -3.333) 5.199 4.452 ( 1.328 -1.037 1.733) 2.417 4.508 ( 0.399 -2.626 0.142) 2.660 4.588 ( -2.145 -6.385 3.489) 7.586 4.950 ( -6.694 -8.453 -4.056) 11.520 5.964 ( 0.942 0.437 -1.122) 1.529 6.211 ( 0.966 0.064 1.040) 1.420 6.248 ( -1.272 0.694 -0.207) 1.463 6.413 ( 0.183 -0.145 -0.554) 0.601 6.784 ( -1.289 1.761 0.913) 2.366 6.878 ( -0.979 -0.224 3.140) 3.297 8.727 ( -0.418 -0.523 -0.136) 0.683 8.813 ( 1.288 -0.753 -2.174) 2.637 8.920 ( -0.226 -1.042 0.978) 1.447 9.145 ( 2.159 -0.726 2.026) 3.049 9.165 ( -4.257 0.509 -1.500) 4.542 9.454 ( 0.382 -1.218 -0.111) 1.281 9.602 ( 1.777 -3.075 2.095) 4.123 9.678 ( -0.722 -1.299 -0.309) 1.518 9.944 ( 4.206 -3.137 -8.456) 9.952 10.178 ( -2.476 3.887 -4.161) 6.209 10.602 ( -2.682 -1.532 9.338) 9.835 10.731 ( -3.466 -3.507 4.892) 6.945 11.299 ( -1.115 -2.299 1.152) 2.803 11.456 ( -0.262 -2.995 -0.856) 3.126 11.708 ( 6.704 5.291 -0.467) 8.553 11.821 ( -2.997 6.850 -1.506) 7.627 11.935 ( -0.353 3.967 -4.915) 6.326 12.207 ( -2.039 2.947 5.664) 6.702 12.321 ( -1.140 1.788 -4.446) 4.926 12.497 ( 1.330 0.604 11.028) 11.124 12.925 ( 3.961 -3.553 -6.069) 8.071 13.429 ( 0.595 -0.251 2.371) 2.457 16.301 ( 0.998 0.986 0.502) 1.491 16.386 ( -0.480 -0.023 -0.367) 0.604 16.967 ( 0.466 6.563 -1.171) 6.683 17.258 ( -2.379 -1.694 0.053) 2.921 17.494 ( 4.087 -3.701 -2.951) 6.254 17.942 ( 4.742 7.725 -2.215) 9.331 18.669 ( -4.441 -10.464 -1.689) 11.492 19.209 ( -6.082 -6.520 3.644) 9.632 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 1.631 1.272 -0.060) 2.069 2.512 ( -2.952 2.937 -3.184) 5.242 2.672 ( -9.470 -1.946 9.634) 13.649 2.754 ( -5.750 -1.130 -4.304) 7.271 2.847 ( -0.943 1.964 -0.150) 2.184 2.992 ( 0.868 6.396 -1.026) 6.535 3.038 ( -0.886 3.389 0.165) 3.507 3.176 ( 0.578 3.435 2.599) 4.346 3.244 ( -0.276 -0.078 -2.827) 2.842 3.384 ( 3.528 3.040 -1.496) 4.892 3.600 ( -5.859 1.866 -0.084) 6.149 3.610 ( -1.534 3.719 -0.210) 4.029 3.715 ( 1.824 0.535 1.169) 2.231 3.863 ( 0.370 0.591 0.395) 0.801 3.983 ( -0.604 -2.669 -1.425) 3.086 4.046 ( 0.139 0.446 -0.703) 0.845 4.079 ( -0.336 -0.036 2.135) 2.162 4.218 ( 2.263 -0.260 -2.825) 3.629 4.229 ( 2.492 -4.518 1.495) 5.372 4.314 ( -1.335 3.527 1.525) 4.068 4.438 ( 0.889 -4.227 -0.265) 4.328 4.495 ( -1.254 -4.099 -0.077) 4.288 4.555 ( 3.792 -2.040 0.338) 4.319 4.858 ( 4.936 -0.491 -1.550) 5.197 5.975 ( 0.231 0.548 -1.344) 1.470 6.212 ( -1.251 0.815 -0.976) 1.784 6.246 ( 0.292 -0.362 1.747) 1.808 6.415 ( 0.526 -0.241 -0.279) 0.642 6.788 ( -0.386 0.959 1.615) 1.918 6.862 ( -1.300 -0.846 2.655) 3.075 8.719 ( 0.231 -0.229 -0.265) 0.419 8.816 ( 0.703 -0.504 -2.473) 2.620 8.909 ( -1.185 0.530 0.363) 1.348 9.104 ( -2.076 0.106 -0.331) 2.105 9.181 ( 1.948 -1.204 2.392) 3.312 9.461 ( 1.091 0.594 -3.063) 3.306 9.560 ( -1.629 -2.653 0.085) 3.114 9.681 ( 0.792 -0.348 0.572) 1.037 9.978 ( 3.927 2.308 -12.207) 13.029 10.200 ( 1.870 1.793 2.781) 3.801 10.539 ( -2.860 -6.540 7.813) 10.583 10.710 ( 0.765 -0.855 6.386) 6.488 11.234 ( -3.259 -1.909 -1.783) 4.177 11.453 ( 3.382 -3.245 0.711) 4.741 11.787 ( -3.920 5.867 -6.105) 9.331 11.882 ( 2.097 7.935 1.124) 8.284 11.945 ( -1.915 3.551 -2.384) 4.686 12.169 ( -5.363 -0.561 7.000) 8.836 12.292 ( 0.161 -3.354 -0.191) 3.364 12.586 ( -0.814 6.917 7.442) 10.192 12.897 ( 2.880 -7.658 -8.338) 11.681 13.430 ( -0.125 -1.906 1.685) 2.548 16.318 ( -0.147 -0.078 -0.239) 0.291 16.383 ( 0.235 0.169 0.685) 0.743 17.014 ( -3.824 7.627 -0.267) 8.536 17.203 ( -1.148 -0.304 -2.580) 2.840 17.537 ( 5.936 -4.464 -0.881) 7.479 18.002 ( -6.724 7.397 -5.628) 11.472 18.597 ( 8.703 -7.879 2.282) 11.959 19.119 ( 0.402 -3.684 3.794) 5.304 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -10.065 -1.225 -1.321) 10.225 2.361 ( -6.369 -0.403 -2.004) 6.689 2.473 ( -15.670 3.395 4.269) 16.592 2.601 ( -8.047 -5.267 6.019) 11.345 2.833 ( -4.212 1.367 -1.741) 4.759 2.907 ( -8.735 1.264 -2.183) 9.092 3.068 ( -2.563 1.704 1.443) 3.399 3.162 ( -4.140 -0.794 4.255) 5.989 3.229 ( -1.534 -0.732 -3.591) 3.973 3.443 ( 0.347 -0.234 -4.650) 4.669 3.476 ( -7.021 3.267 -2.061) 8.013 3.588 ( -3.024 2.664 2.248) 4.615 3.635 ( -5.970 -3.450 -0.656) 6.926 3.887 ( 0.300 -1.296 1.273) 1.841 4.000 ( 3.621 1.604 -2.449) 4.656 4.072 ( 0.671 1.300 1.095) 1.827 4.127 ( 3.327 0.688 1.244) 3.618 4.203 ( 1.935 -2.057 -0.181) 2.831 4.269 ( 0.422 -2.000 1.064) 2.304 4.353 ( 1.610 3.774 -0.737) 4.169 4.437 ( 2.637 -0.340 0.413) 2.691 4.469 ( 3.707 -3.652 1.272) 5.357 4.603 ( 3.970 -1.282 -1.547) 4.450 5.065 ( 15.201 1.844 -1.560) 15.392 5.972 ( -0.873 0.595 -0.960) 1.428 6.193 ( -1.243 0.834 -1.188) 1.911 6.248 ( -0.168 -0.932 2.111) 2.314 6.424 ( 0.637 -0.043 -0.248) 0.685 6.802 ( 0.449 0.194 2.282) 2.334 6.834 ( -1.188 -1.447 0.806) 2.038 8.730 ( 1.098 0.091 -0.211) 1.122 8.813 ( 0.071 0.357 -1.648) 1.688 8.891 ( -1.117 0.447 0.194) 1.219 9.097 ( 0.620 0.714 -0.473) 1.057 9.204 ( 1.103 -1.447 2.994) 3.503 9.448 ( -2.012 0.422 -2.960) 3.603 9.556 ( 2.989 -0.194 -0.674) 3.070 9.676 ( -1.892 1.399 -0.672) 2.447 10.046 ( 4.411 4.550 -10.613) 12.361 10.275 ( 2.875 0.017 5.682) 6.368 10.445 ( -2.372 -7.068 6.848) 10.123 10.766 ( 5.386 -2.352 2.480) 6.379 11.160 ( -2.900 -0.230 0.930) 3.054 11.499 ( 4.476 -2.117 0.083) 4.952 11.728 ( -6.183 5.494 -6.954) 10.806 11.898 ( -4.953 -0.969 1.051) 5.155 11.978 ( -0.591 6.233 0.298) 6.268 12.099 ( -4.313 -0.146 6.165) 7.526 12.255 ( 0.162 -4.211 1.793) 4.580 12.623 ( -3.223 3.503 -1.714) 5.059 12.837 ( -0.253 -3.713 -1.603) 4.052 13.400 ( -1.164 -2.093 1.079) 2.627 16.292 ( -2.046 -0.429 0.100) 2.092 16.403 ( 1.381 0.030 0.194) 1.395 16.964 ( -7.572 3.864 0.363) 8.509 17.230 ( 4.279 1.285 -2.547) 5.143 17.587 ( 3.290 -2.289 -1.349) 4.228 17.870 ( -10.115 3.435 -2.411) 10.951 18.784 ( 14.958 -1.398 -0.989) 15.056 19.171 ( 7.314 -2.631 3.896) 8.695 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -21.399 0.059 1.407) 21.445 2.152 ( -22.022 0.138 3.391) 22.282 2.335 ( -4.522 1.482 3.709) 6.033 2.397 ( -14.873 -0.681 10.251) 18.077 2.616 ( -14.545 -0.075 0.284) 14.548 2.842 ( -3.518 1.742 -5.557) 6.804 2.930 ( -12.057 -2.001 -2.050) 12.393 3.080 ( -5.738 0.745 2.787) 6.423 3.166 ( -1.301 -1.164 -2.252) 2.850 3.337 ( -5.484 -1.666 -1.968) 6.060 3.449 ( -2.318 3.673 -4.391) 6.176 3.537 ( -1.758 -0.347 0.594) 1.887 3.600 ( 1.055 -0.173 2.205) 2.451 3.882 ( 0.780 -1.018 -0.041) 1.283 4.036 ( -1.032 0.757 -0.972) 1.607 4.084 ( -1.040 0.815 2.782) 3.079 4.188 ( 3.152 -1.139 -0.996) 3.496 4.221 ( 1.303 -0.313 -0.071) 1.342 4.289 ( 3.344 -1.064 -0.577) 3.557 4.387 ( 0.200 1.847 0.717) 1.991 4.502 ( 3.364 1.469 -0.587) 3.717 4.554 ( 3.631 0.339 1.841) 4.085 4.688 ( 9.853 -1.968 -3.562) 10.661 5.348 ( 15.933 -0.865 -4.218) 16.504 5.949 ( -1.981 0.499 -0.202) 2.053 6.181 ( -0.572 0.876 -0.731) 1.276 6.238 ( -0.458 -1.266 1.982) 2.396 6.431 ( 0.224 0.088 -0.487) 0.543 6.793 ( -0.529 -2.294 -0.915) 2.526 6.828 ( 0.715 0.310 2.095) 2.235 8.748 ( 0.836 -0.067 -0.490) 0.971 8.820 ( -0.213 1.762 -0.120) 1.778 8.895 ( 1.189 0.129 1.331) 1.789 9.124 ( 1.677 1.219 -1.645) 2.646 9.218 ( 0.677 -1.113 4.833) 5.005 9.396 ( -2.991 0.213 -2.654) 4.005 9.628 ( 4.379 1.232 -1.240) 4.715 9.642 ( -3.573 1.421 0.939) 3.959 10.143 ( 4.583 4.075 -7.070) 9.360 10.320 ( 0.943 -1.791 4.885) 5.288 10.371 ( -0.932 -4.939 3.850) 6.332 10.872 ( 9.727 -3.403 -2.122) 10.521 11.152 ( -0.757 2.424 7.006) 7.452 11.561 ( 3.808 -0.473 -1.274) 4.043 11.639 ( -5.989 3.933 -7.252) 10.195 11.774 ( -6.074 -3.491 2.905) 7.584 11.985 ( -2.818 1.114 -1.661) 3.456 12.040 ( -2.512 -3.099 4.549) 6.050 12.236 ( -2.273 1.076 4.167) 4.867 12.545 ( -1.512 -4.328 -7.545) 8.829 12.796 ( -6.962 5.483 5.024) 10.187 13.362 ( -1.786 -0.788 1.051) 2.218 16.246 ( -2.714 -0.153 0.479) 2.761 16.428 ( 1.593 -0.159 -0.766) 1.775 16.865 ( -5.738 0.658 0.736) 5.822 17.330 ( 5.332 1.401 -0.784) 5.568 17.578 ( -1.599 -0.582 -3.537) 3.925 17.745 ( -7.117 2.838 1.402) 7.789 19.035 ( 14.291 0.084 -5.593) 15.347 19.343 ( 13.278 -3.041 3.943) 14.181 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 17.154 13.336) 21.728 2.022 ( 0.000 19.919 9.532) 22.083 2.371 ( 0.000 4.855 0.335) 4.867 2.492 ( 0.000 10.858 1.808) 11.007 2.538 ( -0.000 7.375 -9.190) 11.783 2.612 ( 0.000 15.439 15.778) 22.075 2.781 ( -0.000 17.189 -1.278) 17.237 2.908 ( -0.000 0.238 -4.151) 4.158 3.197 ( -0.000 1.509 -2.635) 3.037 3.267 ( 0.000 2.056 3.847) 4.362 3.372 ( -0.000 0.817 -0.704) 1.079 3.506 ( -0.000 -0.751 -0.807) 1.103 3.597 ( -0.000 0.410 -1.717) 1.766 3.957 ( -0.000 3.078 -4.184) 5.194 3.974 ( 0.000 0.037 2.221) 2.222 4.095 ( 0.000 -2.386 1.754) 2.962 4.235 ( -0.000 -3.626 -1.155) 3.806 4.241 ( -0.000 2.278 -0.499) 2.332 4.282 ( 0.000 -4.866 0.381) 4.881 4.303 ( -0.000 -4.682 -7.060) 8.472 4.480 ( -0.000 2.850 -0.263) 2.863 4.586 ( -0.000 -0.557 -0.284) 0.625 4.827 ( 0.000 -6.610 1.176) 6.714 5.344 ( -0.000 -10.024 -9.491) 13.804 5.915 ( 0.000 0.341 0.417) 0.539 6.158 ( 0.000 -0.716 0.965) 1.202 6.300 ( 0.000 0.972 0.338) 1.029 6.411 ( -0.000 0.373 -1.047) 1.112 6.855 ( 0.000 2.864 1.665) 3.313 6.856 ( -0.000 0.759 -0.852) 1.141 8.751 ( -0.000 -1.230 -0.646) 1.390 8.755 ( 0.000 -1.274 0.077) 1.276 8.925 ( 0.000 -1.712 0.911) 1.939 9.076 ( 0.000 0.064 0.075) 0.099 9.314 ( -0.000 2.420 -4.768) 5.347 9.438 ( 0.000 -2.984 13.562) 13.886 9.592 ( 0.000 -2.883 4.660) 5.480 9.607 ( -0.000 -6.883 -1.171) 6.982 10.018 ( -0.000 -6.568 -8.368) 10.638 10.285 ( -0.000 1.452 -5.520) 5.708 10.740 ( 0.000 4.387 10.722) 11.584 11.138 ( 0.000 -0.126 4.137) 4.139 11.151 ( -0.000 -2.584 -8.844) 9.214 11.408 ( 0.000 -5.546 7.104) 9.013 11.601 ( -0.000 1.247 -0.442) 1.323 11.792 ( -0.000 1.730 -2.545) 3.077 11.861 ( -0.000 -0.562 -1.767) 1.854 12.084 ( -0.000 0.134 -0.018) 0.136 12.184 ( -0.000 6.719 -0.246) 6.724 12.581 ( 0.000 3.065 2.478) 3.941 12.774 ( 0.000 8.731 5.476) 10.306 13.409 ( 0.000 2.653 0.956) 2.820 16.262 ( 0.000 2.359 2.053) 3.127 16.407 ( -0.000 0.187 -2.550) 2.557 16.753 ( 0.000 0.470 1.267) 1.352 17.282 ( -0.000 -6.633 -2.937) 7.254 17.528 ( 0.000 5.692 0.434) 5.708 17.602 ( -0.000 1.632 -1.010) 1.919 19.047 ( -0.000 -7.141 -5.756) 9.172 19.655 ( 0.000 -13.151 1.152) 13.201 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -0.213 11.830 8.215) 14.404 2.327 ( 7.474 14.938 8.367) 18.682 2.440 ( 2.663 4.682 1.923) 5.719 2.579 ( 3.819 3.907 -5.280) 7.598 2.661 ( 2.726 8.112 1.270) 8.651 2.810 ( 3.245 12.440 3.122) 13.230 2.927 ( 1.620 6.276 -1.051) 6.566 2.966 ( 2.439 9.169 -1.662) 9.632 3.219 ( 2.680 -0.693 -1.425) 3.114 3.301 ( 0.790 0.486 2.043) 2.244 3.368 ( -1.841 3.317 0.805) 3.878 3.529 ( 1.284 3.582 1.436) 4.068 3.619 ( 2.110 0.656 -0.433) 2.252 3.927 ( -2.578 1.621 -2.046) 3.669 4.009 ( 0.746 -0.382 0.212) 0.864 4.081 ( 1.197 -2.384 -0.254) 2.680 4.177 ( -1.412 -3.210 -1.196) 3.705 4.227 ( -1.257 -2.316 -5.214) 5.842 4.242 ( -0.678 0.430 -0.605) 1.005 4.284 ( 2.715 -1.558 -0.232) 3.138 4.502 ( -1.384 3.511 0.029) 3.774 4.563 ( -1.721 -0.843 -0.367) 1.952 4.729 ( -3.745 -7.360 3.053) 8.805 5.162 ( -3.564 -12.583 -6.866) 14.770 5.925 ( 0.868 0.007 -0.016) 0.868 6.164 ( 0.957 -0.389 1.124) 1.526 6.299 ( -1.028 0.845 -0.393) 1.388 6.412 ( -0.007 0.301 -0.719) 0.780 6.842 ( -1.577 1.473 -0.952) 2.359 6.894 ( 0.180 1.614 1.826) 2.444 8.741 ( -0.219 -0.964 0.546) 1.130 8.752 ( 1.532 -1.334 -0.795) 2.181 8.914 ( 0.208 -1.338 1.065) 1.722 9.088 ( 0.841 0.159 0.909) 1.248 9.298 ( -2.203 1.681 -4.141) 4.983 9.459 ( 0.061 -2.094 9.695) 9.918 9.532 ( 0.066 -5.357 0.014) 5.357 9.618 ( 3.742 -2.295 3.350) 5.522 9.906 ( -1.661 -6.144 -7.481) 9.822 10.272 ( -1.278 2.196 -5.439) 6.004 10.772 ( -5.313 3.660 8.517) 10.684 10.945 ( -8.498 -1.032 -2.968) 9.061 11.324 ( 5.215 -2.084 -4.825) 7.404 11.368 ( 4.342 -1.849 10.629) 11.630 11.568 ( -3.830 -0.107 -0.790) 3.912 11.822 ( 2.662 2.112 -2.238) 4.069 11.878 ( 2.853 0.158 -4.718) 5.516 12.146 ( 5.999 1.010 0.951) 6.158 12.255 ( 0.507 5.683 -0.366) 5.718 12.580 ( -4.375 1.588 4.461) 6.447 12.868 ( 0.082 5.127 2.062) 5.527 13.432 ( -0.531 2.012 1.071) 2.340 16.287 ( -0.186 1.696 1.200) 2.086 16.401 ( -0.343 0.649 -1.609) 1.768 16.819 ( 5.644 1.484 0.754) 5.885 17.216 ( 1.394 -6.813 -1.117) 7.043 17.542 ( -3.199 3.655 -1.177) 4.998 17.682 ( 6.266 2.081 1.036) 6.683 18.913 ( -5.286 -6.301 -4.227) 9.248 19.477 ( -6.039 -10.034 0.465) 11.720 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.184 5.762 1.993) 6.099 2.481 ( 2.250 -0.490 2.165) 3.160 2.669 ( 7.129 10.116 5.701) 13.625 2.720 ( 7.408 6.470 -3.326) 10.383 2.762 ( 3.042 2.944 3.407) 5.434 2.967 ( 0.794 5.930 -1.019) 6.069 3.045 ( -0.290 3.916 -1.782) 4.312 3.063 ( 5.283 8.837 -1.710) 10.437 3.235 ( 1.664 -2.352 -3.630) 4.634 3.315 ( 0.641 -0.589 1.481) 1.717 3.439 ( 4.533 5.077 2.101) 7.123 3.616 ( 2.291 2.655 5.832) 6.805 3.671 ( 1.276 3.642 -1.284) 4.067 3.901 ( -1.329 1.659 -2.171) 3.039 3.990 ( -0.506 -2.335 0.855) 2.537 4.070 ( 0.241 -2.996 -1.102) 3.201 4.133 ( -0.229 -1.032 -0.697) 1.266 4.179 ( -0.291 -1.686 -2.237) 2.817 4.223 ( -3.590 3.693 -2.370) 5.669 4.330 ( 3.599 -0.828 -0.509) 3.728 4.495 ( -3.580 2.736 1.029) 4.622 4.507 ( -2.796 -1.447 -1.749) 3.602 4.584 ( -3.922 -7.870 4.313) 9.794 4.938 ( -4.706 -10.885 -3.838) 12.465 5.944 ( 1.227 0.090 -0.249) 1.255 6.189 ( 1.562 -0.211 1.139) 1.944 6.282 ( -1.534 0.816 -0.924) 1.968 6.410 ( -0.135 0.028 -0.334) 0.361 6.825 ( -1.468 1.196 -1.025) 2.153 6.906 ( -0.883 0.344 2.136) 2.336 8.729 ( -0.313 -0.633 0.023) 0.707 8.768 ( 1.709 -0.980 -0.381) 2.007 8.914 ( 0.440 -0.609 0.987) 1.240 9.111 ( 1.435 -0.419 1.152) 1.887 9.243 ( -4.001 1.021 -2.716) 4.942 9.442 ( -0.708 -1.884 0.786) 2.161 9.532 ( 2.882 -2.944 4.384) 6.016 9.685 ( 1.932 0.620 2.503) 3.222 9.804 ( 1.382 -5.645 -5.339) 7.891 10.248 ( -2.371 3.402 -5.261) 6.699 10.692 ( -6.568 -1.357 3.914) 7.765 10.813 ( -5.981 0.465 1.584) 6.205 11.286 ( -0.163 -3.469 1.763) 3.895 11.476 ( -3.795 -0.543 -1.954) 4.302 11.590 ( 10.521 1.825 3.564) 11.258 11.887 ( 1.389 3.354 -0.955) 3.754 11.924 ( 3.273 2.090 -5.661) 6.865 12.272 ( 1.075 3.419 2.089) 4.149 12.322 ( 4.096 3.136 -4.797) 7.044 12.513 ( -3.460 -2.069 9.969) 10.753 12.879 ( -2.046 0.667 -3.100) 3.774 13.439 ( -0.692 0.559 1.377) 1.640 16.302 ( 0.174 0.834 0.451) 0.964 16.396 ( -0.494 0.543 -0.691) 1.008 16.963 ( 6.025 4.489 -1.161) 7.603 17.200 ( 4.518 -5.765 2.161) 7.637 17.482 ( -5.613 0.941 -2.183) 6.096 17.865 ( 10.228 3.937 1.143) 11.019 18.703 ( -9.444 -6.302 -2.689) 11.668 19.270 ( -7.146 -6.309 0.668) 9.556 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.598 2.380 1.337) 2.794 2.507 ( 1.921 -1.043 -3.280) 3.941 2.760 ( -1.229 -0.548 5.556) 5.717 2.853 ( 1.078 2.318 -2.810) 3.799 2.897 ( -0.677 3.414 3.301) 4.796 2.990 ( 0.203 2.097 0.829) 2.264 3.085 ( 2.555 5.723 -3.198) 7.036 3.169 ( 1.838 0.134 -1.809) 2.582 3.247 ( -0.072 0.557 1.728) 1.817 3.343 ( 3.052 1.723 -2.885) 4.539 3.602 ( 6.272 3.676 0.939) 7.331 3.693 ( -2.483 2.389 1.173) 3.640 3.698 ( 2.769 -0.149 3.089) 4.151 3.883 ( -1.539 1.019 -2.234) 2.898 3.971 ( 0.063 -1.171 0.222) 1.193 4.041 ( -0.075 -0.995 -0.332) 1.052 4.133 ( -4.147 0.177 0.854) 4.237 4.140 ( 1.429 -2.455 -0.130) 2.844 4.183 ( -0.498 0.980 -2.588) 2.812 4.366 ( 0.109 1.401 -0.285) 1.433 4.419 ( -1.980 -2.454 0.560) 3.203 4.477 ( -0.248 -2.341 0.814) 2.491 4.490 ( -1.277 -2.175 0.342) 2.546 4.798 ( -0.602 -3.165 -1.102) 3.405 5.966 ( 0.978 0.430 -0.319) 1.115 6.217 ( 1.209 -0.177 0.734) 1.426 6.258 ( -1.475 0.485 -0.669) 1.690 6.407 ( 0.025 -0.080 -0.070) 0.109 6.810 ( -0.919 0.701 -0.251) 1.183 6.886 ( -1.528 -1.138 1.408) 2.369 8.719 ( -0.299 -0.195 -0.063) 0.363 8.787 ( 1.300 -0.172 -0.532) 1.415 8.922 ( 0.335 0.105 0.357) 0.500 9.136 ( 1.516 -0.875 0.408) 1.797 9.168 ( -3.979 0.248 -0.299) 3.998 9.436 ( 1.158 0.037 -0.508) 1.265 9.559 ( 0.741 -1.880 0.878) 2.204 9.666 ( -1.487 -0.314 0.337) 1.557 9.865 ( 7.403 0.367 -2.020) 7.683 10.230 ( -1.634 3.592 -2.964) 4.935 10.570 ( -5.047 -4.477 3.672) 7.681 10.736 ( -3.178 -1.253 1.483) 3.724 11.260 ( -0.846 -1.481 0.177) 1.714 11.406 ( -1.392 -1.124 -0.342) 1.822 11.792 ( 7.375 2.674 0.673) 7.874 11.931 ( -0.008 4.369 -1.761) 4.710 11.984 ( 1.392 2.952 -1.757) 3.707 12.261 ( -2.735 -1.560 -0.373) 3.170 12.300 ( -5.616 -0.502 1.788) 5.915 12.615 ( 8.891 1.248 7.782) 11.881 12.796 ( -4.128 -1.626 -6.907) 8.210 13.427 ( -0.821 -0.951 0.836) 1.509 16.314 ( 0.395 0.258 0.032) 0.473 16.389 ( -0.467 0.114 -0.018) 0.481 17.078 ( 2.185 4.527 -1.097) 5.145 17.288 ( 3.255 2.864 3.616) 5.646 17.357 ( -1.945 -6.028 -3.464) 7.219 18.116 ( 8.892 9.203 -0.853) 12.825 18.449 ( -7.957 -9.385 -0.016) 12.304 19.123 ( -3.846 -3.282 0.836) 5.125 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.412 1.203 3.556) 3.776 2.472 ( -3.803 -0.345 -8.926) 9.708 2.693 ( -6.041 -4.587 5.257) 9.229 2.781 ( -10.606 3.980 7.784) 13.745 2.854 ( -1.820 -0.124 -2.334) 2.962 3.061 ( 1.573 -1.118 -0.647) 2.035 3.085 ( -4.011 0.696 -0.002) 4.071 3.190 ( 0.642 -1.780 -4.527) 4.906 3.251 ( -1.422 1.949 3.605) 4.338 3.396 ( 2.365 0.089 -4.420) 5.014 3.615 ( -5.971 0.650 -0.818) 6.062 3.675 ( -1.045 -1.712 1.233) 2.354 3.718 ( -4.741 1.691 -0.104) 5.034 3.876 ( 0.521 0.407 -0.308) 0.729 3.956 ( 0.862 0.557 0.499) 1.141 4.052 ( 1.876 -0.378 0.012) 1.914 4.083 ( 1.151 -2.254 1.736) 3.069 4.147 ( 1.905 0.264 -0.179) 1.931 4.229 ( 2.538 1.091 -0.656) 2.839 4.374 ( -0.666 -1.446 -0.277) 1.616 4.390 ( 1.301 -0.413 1.054) 1.725 4.436 ( -0.998 1.783 1.484) 2.526 4.522 ( 3.650 -0.404 -1.795) 4.087 4.852 ( 7.903 0.625 -1.146) 8.010 5.982 ( 0.189 0.671 -0.332) 0.772 6.220 ( -1.105 0.574 -0.892) 1.532 6.243 ( 0.068 -0.936 1.154) 1.488 6.413 ( 0.520 0.146 -0.019) 0.541 6.806 ( -0.197 -0.009 1.251) 1.267 6.842 ( -1.564 -2.102 -0.372) 2.646 8.718 ( 0.344 0.082 0.034) 0.355 8.810 ( 0.877 1.258 -0.202) 1.547 8.917 ( -1.122 -0.154 -0.369) 1.191 9.109 ( -1.654 0.363 0.462) 1.755 9.166 ( 1.994 -1.415 0.899) 2.605 9.471 ( 1.091 2.271 -2.064) 3.256 9.529 ( -1.204 -0.676 1.224) 1.845 9.672 ( 1.674 -0.665 -0.350) 1.835 10.000 ( 4.809 6.137 -5.086) 9.309 10.251 ( 1.335 0.982 3.027) 3.451 10.452 ( -3.774 -5.499 3.699) 7.627 10.682 ( 0.335 -3.691 -1.629) 4.048 11.225 ( -2.529 1.083 1.570) 3.167 11.415 ( 2.962 -0.464 -0.171) 3.003 11.862 ( -3.087 4.492 -3.512) 6.484 11.947 ( -2.081 -1.568 -0.070) 2.606 12.020 ( 0.432 2.523 0.886) 2.709 12.166 ( -2.130 -7.277 0.548) 7.602 12.236 ( -2.262 1.980 5.313) 6.105 12.646 ( -2.600 -7.349 -8.982) 11.893 12.824 ( 3.966 8.218 5.541) 10.675 13.403 ( -0.722 -1.076 0.176) 1.308 16.316 ( -0.637 0.154 -0.092) 0.662 16.385 ( 0.333 -0.353 0.145) 0.506 17.131 ( -4.648 0.597 2.949) 5.537 17.186 ( -1.635 0.242 -3.425) 3.803 17.466 ( 7.739 1.097 -0.843) 7.862 18.125 ( -13.958 3.837 0.134) 14.477 18.473 ( 16.556 -2.443 -0.860) 16.758 19.078 ( 1.400 -1.834 1.052) 2.536 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -12.807 1.878 -4.602) 13.738 2.386 ( -2.347 0.496 4.728) 5.302 2.493 ( -11.598 -2.745 4.777) 12.840 2.669 ( -11.012 4.228 8.415) 14.490 2.828 ( -1.465 -0.354 -0.604) 1.624 2.915 ( -11.939 0.871 -0.135) 11.971 3.059 ( -2.812 -2.581 -1.039) 3.956 3.142 ( -0.733 -2.019 -3.018) 3.704 3.212 ( -5.113 0.774 0.876) 5.245 3.378 ( -2.121 -2.091 -6.876) 7.494 3.524 ( -4.229 0.780 0.772) 4.369 3.581 ( -3.256 -0.914 0.329) 3.398 3.652 ( -4.919 2.467 0.495) 5.525 3.868 ( -0.092 -0.865 -0.302) 0.921 4.036 ( 2.514 2.348 -0.872) 3.548 4.081 ( 2.432 -2.088 3.465) 4.720 4.103 ( 3.116 -2.109 -1.066) 3.911 4.208 ( 1.501 3.114 -0.294) 3.469 4.238 ( -0.299 -1.109 -0.847) 1.427 4.387 ( 3.413 -2.728 1.745) 4.705 4.439 ( 4.196 2.650 -0.530) 4.991 4.484 ( 2.388 2.053 2.712) 4.156 4.573 ( 2.346 1.141 -3.371) 4.263 5.041 ( 13.837 -2.200 -3.385) 14.414 5.982 ( -0.952 0.655 -0.232) 1.179 6.202 ( -1.052 0.601 -0.419) 1.282 6.236 ( -0.147 -1.289 1.144) 1.730 6.425 ( 0.496 0.294 -0.272) 0.638 6.779 ( -1.226 -2.933 -0.260) 3.190 6.823 ( 0.617 0.103 0.857) 1.061 8.731 ( 0.882 0.129 -0.167) 0.907 8.844 ( 0.275 2.607 0.167) 2.626 8.889 ( -0.444 -0.757 0.805) 1.191 9.110 ( 0.626 0.328 0.814) 1.078 9.187 ( 1.765 -1.612 0.331) 2.413 9.460 ( -3.048 2.450 -1.194) 4.088 9.570 ( 3.494 1.162 1.057) 3.831 9.686 ( -0.016 0.094 0.054) 0.110 10.106 ( 2.134 6.159 -7.601) 10.013 10.294 ( 1.315 -1.897 2.661) 3.523 10.363 ( -1.460 -4.008 5.090) 6.641 10.687 ( 5.716 -3.131 -2.035) 6.827 11.224 ( -1.200 3.025 4.903) 5.885 11.482 ( 4.235 0.927 -1.308) 4.528 11.781 ( -7.505 2.289 -4.308) 8.951 11.837 ( -5.180 -4.104 -0.805) 6.658 12.020 ( -2.826 -2.798 -2.310) 4.599 12.057 ( -1.232 -4.925 7.040) 8.680 12.293 ( 0.660 3.517 5.659) 6.696 12.485 ( -2.424 -6.951 -9.125) 11.725 12.958 ( -0.940 8.381 3.845) 9.269 13.387 ( -0.788 0.379 0.500) 1.008 16.293 ( -2.129 0.399 0.196) 2.175 16.396 ( 1.328 -0.541 -0.401) 1.489 16.974 ( -7.077 -3.310 0.705) 7.845 17.254 ( 4.280 1.400 -0.035) 4.503 17.566 ( 1.939 1.990 -2.694) 3.870 17.938 ( -9.958 2.383 2.539) 10.550 18.746 ( 15.229 0.095 -4.163) 15.788 19.140 ( 7.105 -1.991 1.608) 7.552 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.000 7.580 4.686) 8.912 2.413 ( 0.000 10.583 7.660) 13.064 2.465 ( 0.000 3.455 3.643) 5.021 2.548 ( -0.000 3.635 -7.540) 8.370 2.718 ( 0.000 4.644 3.896) 6.061 2.916 ( 0.000 10.403 2.468) 10.691 2.940 ( -0.000 6.630 -5.565) 8.656 3.027 ( -0.000 4.138 -2.402) 4.785 3.181 ( -0.000 -0.794 -0.483) 0.929 3.305 ( 0.000 -0.387 1.919) 1.957 3.406 ( 0.000 0.092 2.094) 2.096 3.592 ( -0.000 -0.486 -0.182) 0.519 3.595 ( 0.000 8.699 3.128) 9.244 3.974 ( -0.000 1.725 -5.182) 5.461 3.993 ( 0.000 0.719 0.911) 1.161 4.052 ( 0.000 -1.745 1.043) 2.033 4.141 ( -0.000 -4.236 -0.604) 4.279 4.201 ( 0.000 -3.071 0.122) 3.074 4.206 ( -0.000 -1.146 -2.542) 2.788 4.309 ( -0.000 5.348 -1.464) 5.545 4.558 ( 0.000 4.978 0.461) 4.999 4.577 ( -0.000 -0.163 -0.289) 0.331 4.696 ( 0.000 -7.827 1.926) 8.061 5.032 ( -0.000 -13.814 -5.017) 14.697 5.916 ( 0.000 -0.215 0.295) 0.365 6.156 ( 0.000 -0.273 1.071) 1.105 6.314 ( -0.000 0.559 -0.793) 0.970 6.414 ( -0.000 0.390 -0.486) 0.623 6.861 ( -0.000 0.618 -1.738) 1.844 6.918 ( 0.000 1.869 0.723) 2.004 8.725 ( -0.000 -0.819 -0.293) 0.870 8.735 ( 0.000 -1.026 1.099) 1.504 8.905 ( 0.000 -0.905 1.016) 1.361 9.087 ( 0.000 0.292 0.799) 0.851 9.316 ( -0.000 0.950 -3.829) 3.945 9.477 ( 0.000 -1.071 5.109) 5.220 9.485 ( 0.000 -4.757 3.895) 6.148 9.559 ( 0.000 -2.794 3.203) 4.250 9.854 ( -0.000 -3.245 -5.119) 6.060 10.283 ( -0.000 1.779 -4.288) 4.643 10.895 ( 0.000 3.446 5.320) 6.338 11.070 ( -0.000 1.545 -11.819) 11.919 11.159 ( 0.000 -0.584 3.322) 3.373 11.351 ( 0.000 -5.671 9.200) 10.807 11.628 ( -0.000 1.351 -0.223) 1.369 11.768 ( -0.000 0.194 -4.142) 4.146 11.830 ( -0.000 -0.495 -3.206) 3.244 12.089 ( 0.000 -0.042 1.413) 1.414 12.311 ( -0.000 4.844 -0.732) 4.899 12.659 ( 0.000 1.835 3.158) 3.652 12.929 ( 0.000 3.810 1.373) 4.050 13.459 ( 0.000 1.573 0.603) 1.684 16.309 ( 0.000 1.140 0.524) 1.254 16.409 ( -0.000 1.052 -1.089) 1.515 16.769 ( 0.000 0.115 1.166) 1.171 17.142 ( 0.000 -4.893 -0.195) 4.897 17.621 ( 0.000 2.222 3.078) 3.796 17.624 ( -0.000 1.161 -0.991) 1.527 18.899 ( -0.000 -3.932 -2.919) 4.897 19.440 ( -0.000 -7.210 -1.482) 7.361 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -2.097 4.396 -0.589) 4.906 2.448 ( -0.171 -2.445 2.308) 3.367 2.608 ( 7.356 1.809 -0.129) 7.576 2.658 ( 6.709 7.244 3.458) 10.461 2.762 ( 0.762 0.434 3.027) 3.152 3.009 ( 0.212 2.807 -3.193) 4.257 3.035 ( 3.256 3.604 -5.311) 7.197 3.060 ( 3.335 7.115 -0.707) 7.890 3.184 ( 0.470 -0.631 1.120) 1.369 3.305 ( 0.066 -0.938 1.531) 1.797 3.425 ( 1.873 0.361 3.665) 4.132 3.595 ( 1.381 -1.364 0.887) 2.134 3.702 ( 1.393 5.311 1.759) 5.766 3.940 ( -2.255 1.794 -3.648) 4.649 4.002 ( -1.665 -0.488 0.969) 1.987 4.030 ( 0.504 -1.918 -0.434) 2.030 4.114 ( 0.507 -1.530 -0.776) 1.788 4.184 ( -1.077 -0.101 0.008) 1.082 4.219 ( 3.910 -0.806 -0.044) 3.993 4.349 ( -1.787 6.587 -2.134) 7.151 4.545 ( -3.181 -0.926 -0.892) 3.431 4.583 ( -3.322 -8.187 2.169) 9.097 4.601 ( -2.502 5.877 -0.220) 6.391 4.874 ( -1.650 -9.656 -1.425) 9.899 5.925 ( 0.929 -0.034 0.589) 1.101 6.166 ( 1.007 -0.310 0.962) 1.427 6.307 ( -0.875 0.447 -1.229) 1.573 6.414 ( -0.197 0.256 -0.149) 0.356 6.851 ( -0.941 0.677 -2.061) 2.365 6.926 ( -0.583 0.239 -0.113) 0.640 8.721 ( 0.207 -0.490 -0.445) 0.694 8.740 ( 0.978 -0.457 1.914) 2.197 8.902 ( 0.312 -0.684 0.664) 1.003 9.095 ( 0.487 -0.198 0.390) 0.655 9.296 ( -1.883 1.066 -3.470) 4.089 9.435 ( -0.600 -2.284 -1.297) 2.695 9.497 ( 0.461 -1.995 8.249) 8.499 9.599 ( 5.486 -1.681 2.840) 6.402 9.796 ( -2.988 -0.274 -1.452) 3.334 10.284 ( -0.520 2.142 -3.741) 4.342 10.828 ( -8.399 -0.984 -1.135) 8.532 10.945 ( -7.263 1.870 -3.466) 8.262 11.240 ( 2.313 -2.680 -2.252) 4.196 11.410 ( 9.209 -0.931 7.426) 11.866 11.571 ( -5.159 0.219 1.280) 5.320 11.827 ( 5.390 1.389 -4.103) 6.915 11.863 ( 3.741 1.063 -2.053) 4.398 12.166 ( 7.506 0.220 1.244) 7.611 12.338 ( -0.661 2.195 -1.635) 2.816 12.627 ( -5.414 -0.381 3.468) 6.441 12.934 ( -2.550 1.219 -1.330) 3.124 13.465 ( -0.915 0.563 0.806) 1.343 16.313 ( -0.394 0.453 0.231) 0.643 16.409 ( -0.573 0.663 -0.898) 1.255 16.849 ( 7.877 0.801 0.386) 7.927 17.112 ( 0.726 -2.895 1.926) 3.553 17.593 ( -4.117 1.691 0.526) 4.482 17.720 ( 7.563 0.190 2.533) 7.979 18.805 ( -6.281 -1.696 -2.084) 6.831 19.329 ( -5.089 -3.594 -2.078) 6.568 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -0.944 1.370 0.510) 1.740 2.437 ( 2.184 -3.175 -0.758) 3.927 2.732 ( 6.318 -3.188 -1.978) 7.348 2.793 ( 3.053 -0.691 2.050) 3.742 2.836 ( 5.537 -1.061 1.026) 5.730 3.016 ( 4.232 -1.053 -5.758) 7.224 3.076 ( -1.526 3.447 -0.886) 3.873 3.149 ( 0.041 -0.329 1.425) 1.463 3.256 ( 4.581 4.574 3.323) 7.277 3.297 ( 0.200 -0.900 -0.977) 1.344 3.516 ( 6.013 -0.589 3.485) 6.975 3.621 ( 3.456 -2.387 2.272) 4.775 3.739 ( -0.399 -0.537 -0.604) 0.902 3.913 ( -1.684 1.480 -3.226) 3.928 3.960 ( -0.690 -1.691 0.887) 2.030 4.034 ( 0.398 0.585 0.162) 0.726 4.112 ( 0.285 0.172 -0.672) 0.750 4.170 ( -1.052 0.957 1.181) 1.849 4.277 ( -1.181 2.095 -1.843) 3.030 4.360 ( -1.256 3.162 -2.869) 4.450 4.415 ( -2.899 -4.572 1.366) 5.583 4.500 ( -2.869 -1.298 0.412) 3.176 4.556 ( -5.252 0.166 -0.075) 5.255 4.812 ( -1.773 2.783 1.918) 3.817 5.950 ( 1.315 0.277 0.744) 1.536 6.189 ( 1.580 -0.470 0.760) 1.815 6.285 ( -1.366 0.246 -1.329) 1.921 6.411 ( -0.321 0.200 0.106) 0.393 6.832 ( -1.052 0.629 -1.700) 2.096 6.900 ( -1.402 -1.602 -0.623) 2.218 8.719 ( 0.016 0.029 -0.393) 0.394 8.767 ( 1.270 0.302 1.727) 2.165 8.908 ( 0.831 -0.583 0.183) 1.032 9.103 ( 0.993 -0.632 -0.153) 1.187 9.245 ( -3.831 1.052 -2.522) 4.705 9.418 ( 0.756 -0.518 0.094) 0.921 9.518 ( 1.436 -1.373 3.602) 4.113 9.698 ( 2.747 -2.376 -1.127) 3.803 9.767 ( 1.120 4.582 5.789) 7.467 10.281 ( -1.222 2.691 -3.044) 4.243 10.655 ( -7.705 -2.521 -2.009) 8.353 10.808 ( -6.753 -1.392 -2.526) 7.343 11.234 ( 1.143 -1.589 -1.240) 2.317 11.465 ( -4.510 0.722 -0.694) 4.620 11.639 ( 10.803 -0.479 5.411) 12.092 11.924 ( 3.659 0.369 0.112) 3.679 11.942 ( 4.304 3.032 -2.883) 6.002 12.290 ( 1.944 -1.859 -3.083) 4.091 12.330 ( 0.730 0.767 -4.457) 4.581 12.537 ( -2.041 -2.765 10.034) 10.607 12.868 ( -4.092 1.118 -3.846) 5.726 13.443 ( -1.582 -0.745 0.196) 1.759 16.312 ( 0.045 -0.127 0.206) 0.246 16.400 ( -0.649 0.206 -0.588) 0.900 17.037 ( 10.447 2.287 -2.053) 10.890 17.120 ( 2.126 -2.660 3.737) 5.056 17.506 ( -7.492 1.652 1.707) 7.860 17.916 ( 13.241 -0.801 1.688) 13.372 18.632 ( -11.917 1.600 -0.837) 12.054 19.192 ( -6.333 -0.670 -2.086) 6.701 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 1.316 -1.005 4.215) 4.529 2.445 ( 1.793 -1.364 -5.097) 5.572 2.719 ( -1.090 -6.621 -0.211) 6.713 2.834 ( 0.461 -1.125 -0.791) 1.450 2.878 ( 7.855 -6.252 -6.167) 11.783 3.033 ( -6.669 2.422 5.371) 8.899 3.085 ( 5.871 -4.634 -1.608) 7.650 3.151 ( -0.770 -0.558 1.365) 1.663 3.293 ( 0.560 0.146 -1.418) 1.532 3.347 ( 1.111 0.206 2.357) 2.614 3.606 ( 4.437 -3.515 0.399) 5.675 3.684 ( 0.840 -5.129 2.546) 5.787 3.699 ( 2.782 -0.842 0.301) 2.922 3.883 ( -1.127 0.201 -1.342) 1.764 3.962 ( 0.600 1.196 -0.602) 1.467 4.050 ( -0.735 1.836 0.300) 2.000 4.106 ( -4.370 -0.490 -2.078) 4.864 4.145 ( -0.338 2.140 0.243) 2.180 4.221 ( -0.470 2.185 0.807) 2.376 4.372 ( -0.930 -1.290 0.072) 1.592 4.402 ( -1.597 1.871 -1.006) 2.658 4.455 ( 2.335 0.203 -1.745) 2.922 4.499 ( -2.007 2.268 2.101) 3.685 4.835 ( -2.216 6.221 1.867) 6.863 5.977 ( 0.994 0.408 0.542) 1.204 6.213 ( 1.287 -0.637 0.450) 1.505 6.255 ( -1.475 -0.226 -0.926) 1.757 6.411 ( -0.023 0.434 0.182) 0.471 6.818 ( -0.638 0.323 -0.283) 0.769 6.844 ( -1.814 -2.698 -1.268) 3.490 8.718 ( -0.147 0.296 -0.072) 0.338 8.805 ( 1.435 1.563 0.715) 2.240 8.915 ( 0.481 -0.995 -0.007) 1.105 9.117 ( 1.295 -0.621 -0.891) 1.690 9.174 ( -3.833 0.695 -0.412) 3.917 9.452 ( 2.336 0.918 1.373) 2.861 9.540 ( 0.799 0.028 -0.821) 1.146 9.668 ( -1.765 0.609 0.426) 1.915 9.943 ( 7.379 5.265 4.999) 10.351 10.276 ( -1.238 2.089 -0.894) 2.588 10.493 ( -5.714 -3.892 -3.205) 7.620 10.677 ( -4.384 -2.557 -1.392) 5.262 11.243 ( 1.354 -0.074 -1.586) 2.087 11.413 ( -2.065 1.884 0.231) 2.805 11.821 ( 8.145 -1.451 3.467) 8.971 11.947 ( -0.251 -2.955 0.024) 2.965 12.024 ( 1.815 1.319 0.468) 2.292 12.189 ( -6.587 -3.557 -3.499) 8.264 12.290 ( -0.949 0.262 -3.742) 3.869 12.563 ( 0.816 -6.835 5.347) 8.716 12.863 ( 2.363 6.920 -1.392) 7.444 13.407 ( -0.987 -0.936 -0.625) 1.497 16.315 ( 0.541 -0.391 0.096) 0.675 16.387 ( -0.696 -0.032 -0.181) 0.720 17.139 ( 1.385 -4.510 4.047) 6.216 17.178 ( 3.095 -0.328 -4.898) 5.803 17.445 ( -1.552 6.460 3.025) 7.300 18.127 ( 11.841 -8.617 -0.070) 14.645 18.461 ( -10.976 11.090 1.099) 15.642 19.093 ( -3.794 0.804 -1.584) 4.189 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.297 0.514 -0.000) 0.593 2.421 ( -0.768 -1.329 0.000) 1.535 2.592 ( -3.995 -6.920 0.000) 7.991 2.816 ( -0.896 -1.551 -0.000) 1.791 2.897 ( -1.548 -2.682 -0.000) 3.097 2.978 ( 0.397 0.688 -0.000) 0.795 3.086 ( -1.810 -3.134 0.000) 3.619 3.103 ( -1.727 -2.991 -0.000) 3.454 3.288 ( -0.847 -1.468 -0.000) 1.695 3.342 ( -0.791 -1.371 0.000) 1.583 3.592 ( -3.304 -5.722 -0.000) 6.607 3.607 ( -0.636 -1.101 -0.000) 1.272 3.740 ( -0.203 -0.352 0.000) 0.406 3.858 ( -0.690 -1.196 -0.000) 1.381 4.013 ( 2.379 4.121 0.000) 4.758 4.034 ( -0.195 -0.339 0.000) 0.391 4.058 ( -0.225 -0.389 -0.000) 0.450 4.212 ( 2.112 3.658 -0.000) 4.224 4.263 ( 1.339 2.320 -0.000) 2.679 4.294 ( -2.141 -3.709 0.000) 4.283 4.436 ( 1.803 3.124 -0.000) 3.607 4.499 ( 1.141 1.977 0.000) 2.283 4.549 ( 2.204 3.818 0.000) 4.409 4.873 ( 1.378 2.386 -0.000) 2.756 5.993 ( 0.183 0.318 -0.000) 0.367 6.223 ( -0.023 -0.040 -0.000) 0.047 6.225 ( -0.655 -1.135 0.000) 1.311 6.421 ( 0.336 0.583 -0.000) 0.673 6.775 ( -1.796 -3.111 -0.000) 3.592 6.819 ( 0.198 0.344 -0.000) 0.397 8.723 ( 0.275 0.476 -0.000) 0.550 8.856 ( 1.582 2.740 -0.000) 3.164 8.894 ( -1.070 -1.853 -0.000) 2.140 9.111 ( -0.511 -0.884 -0.000) 1.021 9.155 ( 0.483 0.837 0.000) 0.966 9.519 ( 1.612 2.793 -0.000) 3.225 9.534 ( -0.040 -0.069 0.000) 0.080 9.674 ( 0.815 1.411 -0.000) 1.629 10.115 ( 2.839 4.918 -0.000) 5.678 10.272 ( -0.560 -0.971 -0.000) 1.121 10.368 ( -1.638 -2.837 -0.000) 3.275 10.612 ( -0.272 -0.472 0.000) 0.545 11.267 ( 0.915 1.585 -0.000) 1.830 11.440 ( 1.825 3.161 -0.000) 3.650 11.844 ( -4.229 -7.325 -0.000) 8.458 11.896 ( -0.356 -0.616 -0.000) 0.711 12.006 ( -4.674 -8.096 0.000) 9.348 12.054 ( 0.508 0.880 -0.000) 1.016 12.318 ( 1.939 3.358 -0.000) 3.878 12.449 ( -4.406 -7.631 0.000) 8.812 13.018 ( 4.259 7.377 -0.000) 8.519 13.397 ( 0.327 0.567 -0.000) 0.655 16.320 ( 0.019 0.033 -0.000) 0.038 16.375 ( -0.196 -0.339 -0.000) 0.391 17.027 ( -4.572 -7.918 -0.000) 9.143 17.220 ( 1.536 2.660 -0.000) 3.072 17.550 ( 2.602 4.507 0.000) 5.204 18.084 ( -3.330 -5.768 -0.000) 6.661 18.561 ( 5.454 9.447 -0.000) 10.909 19.069 ( 0.544 0.941 -0.000) 1.087 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.000 0.964 -2.926) 3.081 2.455 ( -0.000 -3.033 -5.109) 5.942 2.493 ( 0.000 -6.701 4.240) 7.930 2.666 ( 0.000 3.277 5.819) 6.678 2.757 ( 0.000 -1.708 1.947) 2.590 2.963 ( -0.000 -3.340 -8.299) 8.946 3.027 ( -0.000 2.523 -2.611) 3.631 3.104 ( 0.000 5.448 1.645) 5.691 3.192 ( 0.000 0.479 2.426) 2.473 3.307 ( 0.000 -0.424 2.543) 2.578 3.414 ( 0.000 -1.467 4.648) 4.874 3.567 ( -0.000 -0.814 -2.262) 2.404 3.718 ( 0.000 -1.624 1.952) 2.539 3.964 ( -0.000 1.526 -5.018) 5.244 4.011 ( 0.000 0.048 0.086) 0.099 4.042 ( 0.000 -0.617 1.515) 1.636 4.081 ( -0.000 -0.132 -0.858) 0.868 4.165 ( -0.000 -0.182 -0.021) 0.183 4.213 ( 0.000 1.789 2.235) 2.862 4.421 ( -0.000 4.902 -1.338) 5.081 4.527 ( -0.000 -7.881 -2.126) 8.163 4.576 ( -0.000 0.202 -0.032) 0.204 4.677 ( -0.000 1.660 -1.206) 2.052 4.843 ( 0.000 3.810 3.572) 5.222 5.919 ( 0.000 0.066 1.181) 1.183 6.156 ( 0.000 -0.431 0.809) 0.917 6.312 ( -0.000 0.117 -1.623) 1.628 6.419 ( 0.000 0.281 0.119) 0.305 6.856 ( -0.000 0.468 -2.625) 2.666 6.926 ( -0.000 -0.680 -1.882) 2.001 8.719 ( 0.000 0.232 0.504) 0.555 8.734 ( 0.000 -0.128 2.260) 2.264 8.894 ( 0.000 -0.691 0.143) 0.706 9.088 ( -0.000 -0.390 -0.134) 0.412 9.312 ( -0.000 1.512 -3.674) 3.973 9.413 ( 0.000 -2.613 0.480) 2.657 9.512 ( 0.000 -0.714 6.222) 6.263 9.538 ( 0.000 -1.257 2.740) 3.015 9.844 ( 0.000 2.998 2.808) 4.108 10.294 ( -0.000 1.773 -2.953) 3.444 10.882 ( -0.000 -3.617 -7.084) 7.954 11.042 ( -0.000 3.133 -12.413) 12.802 11.160 ( 0.000 -1.342 2.522) 2.857 11.339 ( 0.000 -2.094 12.116) 12.296 11.642 ( -0.000 -0.002 -0.160) 0.160 11.785 ( 0.000 2.306 1.232) 2.614 11.804 ( -0.000 0.875 -4.315) 4.403 12.102 ( 0.000 -0.139 2.606) 2.609 12.343 ( -0.000 -0.368 -3.689) 3.708 12.676 ( -0.000 -1.424 -0.282) 1.452 12.957 ( -0.000 -1.062 -0.688) 1.265 13.481 ( 0.000 -0.156 0.839) 0.853 16.320 ( 0.000 -0.203 -0.000) 0.203 16.417 ( -0.000 0.332 -1.102) 1.151 16.773 ( 0.000 -0.434 1.052) 1.138 17.107 ( 0.000 0.635 3.357) 3.417 17.633 ( -0.000 0.355 -0.975) 1.037 17.669 ( 0.000 -0.751 5.906) 5.953 18.853 ( -0.000 1.299 -1.480) 1.969 19.350 ( -0.000 0.324 -3.523) 3.538 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.227 -8.952 0.853) 9.076 2.371 ( 0.981 -0.254 -3.313) 3.464 2.503 ( 7.806 -9.750 -5.119) 13.498 2.724 ( 2.854 -4.334 1.500) 5.402 2.764 ( 2.330 -0.814 4.283) 4.943 2.901 ( 2.127 -6.303 -7.223) 9.819 3.053 ( 2.672 -0.662 -2.090) 3.457 3.167 ( 1.246 -0.476 4.191) 4.398 3.212 ( 1.549 1.329 -0.260) 2.058 3.313 ( 0.342 0.116 4.222) 4.237 3.429 ( 2.027 -3.050 3.932) 5.373 3.566 ( 1.333 -0.267 -1.876) 2.317 3.688 ( 1.298 -6.490 0.589) 6.645 3.949 ( -1.727 1.142 -3.030) 3.670 3.979 ( -2.205 -0.632 0.656) 2.385 4.039 ( 0.509 1.910 0.153) 1.982 4.113 ( 0.835 2.105 -0.888) 2.433 4.196 ( 1.234 1.027 0.284) 1.631 4.253 ( 1.562 3.001 2.754) 4.362 4.398 ( -2.613 -7.965 0.987) 8.441 4.458 ( -1.921 5.136 -5.407) 7.701 4.553 ( -2.783 0.210 -0.145) 2.795 4.633 ( -3.804 -0.461 0.778) 3.910 4.948 ( -2.120 13.555 4.119) 14.324 5.934 ( 0.973 0.097 1.376) 1.688 6.163 ( 0.974 -0.509 0.686) 1.296 6.298 ( -0.727 -0.171 -1.910) 2.051 6.420 ( -0.252 0.246 0.355) 0.500 6.845 ( -0.601 0.488 -2.721) 2.829 6.897 ( -0.908 -1.895 -2.258) 3.084 8.723 ( -0.178 0.708 0.268) 0.778 8.757 ( 1.134 0.315 2.805) 3.042 8.890 ( 0.360 -0.411 -0.428) 0.694 9.086 ( 0.350 -0.352 -0.265) 0.563 9.296 ( -1.833 1.241 -4.683) 5.179 9.398 ( 0.471 -1.313 1.914) 2.369 9.521 ( -0.386 -0.094 5.116) 5.132 9.591 ( 5.061 -0.667 1.671) 5.372 9.876 ( -2.573 5.507 5.865) 8.447 10.304 ( 0.019 1.831 -2.150) 2.824 10.738 ( -6.467 -4.557 -8.216) 11.406 10.926 ( -8.026 0.899 -5.758) 9.919 11.189 ( 1.679 -0.795 -3.582) 4.035 11.454 ( 7.843 -0.411 9.406) 12.254 11.586 ( -4.507 -0.133 1.642) 4.799 11.836 ( 5.290 1.712 -3.002) 6.319 11.883 ( 4.381 1.225 -0.167) 4.552 12.165 ( 5.215 -1.268 0.160) 5.369 12.313 ( 0.410 -2.234 -3.530) 4.198 12.609 ( -4.237 -2.319 0.745) 4.887 12.910 ( -2.216 -2.514 -1.287) 3.590 13.462 ( -1.432 -1.422 0.077) 2.020 16.309 ( -0.280 -1.132 -0.145) 1.175 16.411 ( -0.532 0.368 -0.679) 0.937 16.847 ( 7.925 -1.230 0.247) 8.024 17.141 ( -0.117 3.326 4.097) 5.278 17.620 ( -3.204 -0.016 1.869) 3.709 17.721 ( 6.867 -2.300 3.492) 8.040 18.826 ( -5.872 4.847 -0.195) 7.617 19.306 ( -5.432 3.568 -4.092) 7.680 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.785 -11.072 3.219) 12.135 2.380 ( 1.865 -0.471 -4.632) 5.015 2.526 ( 9.517 -12.748 -5.638) 16.878 2.682 ( 1.944 -8.085 -6.712) 10.686 2.812 ( 1.826 -0.557 2.060) 2.808 2.888 ( 7.033 -9.660 -0.234) 11.951 3.083 ( 2.787 -3.415 -0.770) 4.475 3.166 ( -1.393 -1.508 7.025) 7.319 3.220 ( 1.975 -3.905 -5.465) 7.001 3.373 ( 0.542 1.323 6.929) 7.075 3.459 ( 6.234 -4.899 1.578) 8.084 3.585 ( 2.187 -3.044 2.128) 4.310 3.650 ( 1.282 -4.188 -2.652) 5.120 3.901 ( -1.799 -1.125 -1.209) 2.442 3.983 ( -0.052 3.665 0.688) 3.730 4.078 ( 0.989 2.432 -0.171) 2.631 4.138 ( -0.733 2.248 -0.627) 2.447 4.201 ( -2.397 1.199 0.322) 2.699 4.274 ( -3.458 -2.268 0.369) 4.151 4.347 ( 3.959 2.754 0.638) 4.865 4.453 ( -2.101 1.629 -2.264) 3.492 4.490 ( -4.150 3.177 -2.714) 5.889 4.574 ( -3.912 1.793 3.472) 5.530 5.034 ( -5.865 13.517 3.802) 15.217 5.961 ( 1.332 -0.131 1.057) 1.705 6.183 ( 1.426 -0.532 0.592) 1.633 6.270 ( -1.177 -0.594 -1.810) 2.239 6.420 ( -0.240 0.417 0.425) 0.642 6.830 ( -0.599 0.575 -2.004) 2.169 6.843 ( -1.701 -2.647 -1.485) 3.480 8.728 ( -0.301 0.855 0.128) 0.915 8.795 ( 1.538 0.957 1.590) 2.410 8.895 ( 0.542 -0.360 -0.479) 0.808 9.095 ( 0.738 0.315 -0.180) 0.823 9.243 ( -3.216 0.673 -3.614) 4.884 9.415 ( 1.966 -1.051 2.216) 3.143 9.541 ( -0.002 2.104 2.066) 2.949 9.670 ( 2.993 -0.787 0.410) 3.122 9.945 ( 1.267 7.130 8.074) 10.845 10.311 ( -0.731 1.550 -0.864) 1.919 10.535 ( -6.593 -5.189 -9.095) 12.374 10.781 ( -7.801 1.458 -0.726) 7.969 11.194 ( 1.945 -0.280 -4.884) 5.264 11.497 ( -4.048 2.304 0.472) 4.682 11.650 ( 9.314 -2.657 6.896) 11.890 11.900 ( 1.710 -3.405 0.249) 3.819 11.984 ( 4.565 1.417 -0.133) 4.782 12.171 ( 1.074 -4.855 -6.632) 8.289 12.293 ( -1.167 -0.723 -5.207) 5.384 12.548 ( -1.196 -3.198 9.903) 10.475 12.859 ( 1.049 0.060 -3.759) 3.903 13.412 ( -1.459 -1.874 -1.032) 2.590 16.294 ( 0.495 -1.678 -0.234) 1.765 16.404 ( -0.764 0.656 0.027) 1.007 16.971 ( 7.666 -4.936 -0.685) 9.144 17.201 ( 0.243 5.534 2.439) 6.052 17.558 ( -3.929 0.937 3.623) 5.426 17.855 ( 10.103 -5.137 0.483) 11.345 18.764 ( -9.241 9.934 2.492) 13.795 19.216 ( -7.467 5.135 -3.982) 9.899 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.000 -18.139 -1.738) 18.222 2.263 ( -0.000 -12.479 -5.015) 13.449 2.364 ( -0.000 -0.890 -3.873) 3.974 2.646 ( 0.000 -7.089 0.064) 7.089 2.744 ( 0.000 -2.037 5.901) 6.243 2.748 ( -0.000 -13.439 -9.587) 16.508 3.011 ( 0.000 -2.207 0.820) 2.354 3.124 ( 0.000 -6.298 3.296) 7.109 3.223 ( 0.000 0.954 1.384) 1.681 3.295 ( 0.000 -3.330 1.827) 3.798 3.414 ( 0.000 -0.994 3.373) 3.516 3.556 ( -0.000 2.345 -3.616) 4.310 3.600 ( 0.000 -7.898 2.881) 8.408 3.976 ( -0.000 1.671 -2.345) 2.880 3.987 ( 0.000 -1.841 0.411) 1.887 4.050 ( 0.000 0.773 0.326) 0.839 4.131 ( -0.000 4.773 -1.274) 4.940 4.197 ( -0.000 3.175 -0.263) 3.186 4.296 ( 0.000 2.886 3.758) 4.738 4.351 ( 0.000 -5.448 1.601) 5.678 4.488 ( -0.000 1.688 -3.730) 4.094 4.583 ( 0.000 0.392 0.243) 0.461 4.690 ( 0.000 3.936 0.280) 3.946 5.148 ( 0.000 16.864 4.185) 17.376 5.929 ( 0.000 -0.341 1.400) 1.441 6.152 ( 0.000 -0.336 0.711) 0.786 6.294 ( -0.000 -0.486 -2.460) 2.508 6.426 ( 0.000 0.120 0.583) 0.595 6.843 ( -0.000 0.364 -3.224) 3.245 6.877 ( -0.000 -1.998 -2.565) 3.251 8.738 ( 0.000 0.931 0.694) 1.162 8.760 ( 0.000 0.425 3.372) 3.398 8.885 ( -0.000 0.398 -0.953) 1.033 9.082 ( 0.000 0.109 0.408) 0.423 9.296 ( -0.000 -0.561 -5.574) 5.602 9.396 ( 0.000 -0.583 3.544) 3.592 9.539 ( 0.000 -0.423 1.533) 1.591 9.556 ( 0.000 1.890 4.037) 4.457 9.988 ( 0.000 6.435 7.113) 9.592 10.312 ( -0.000 1.662 -1.977) 2.583 10.705 ( -0.000 -6.389 -10.665) 12.432 11.015 ( -0.000 4.467 -13.047) 13.790 11.141 ( 0.000 -2.070 1.980) 2.864 11.422 ( 0.000 0.330 12.993) 12.997 11.626 ( -0.000 -1.089 -0.335) 1.139 11.804 ( -0.000 2.060 -4.641) 5.078 11.834 ( 0.000 0.229 0.728) 0.763 12.120 ( 0.000 -0.274 3.234) 3.246 12.250 ( -0.000 -4.301 -6.482) 7.779 12.618 ( -0.000 -2.319 -2.770) 3.612 12.883 ( 0.000 -6.353 1.255) 6.476 13.455 ( -0.000 -2.551 -0.422) 2.585 16.292 ( -0.000 -2.315 -0.808) 2.452 16.420 ( -0.000 0.762 -0.109) 0.770 16.766 ( 0.000 -0.971 0.966) 1.370 17.203 ( 0.000 5.186 4.513) 6.875 17.624 ( -0.000 -0.449 -0.944) 1.045 17.669 ( 0.000 -3.999 7.010) 8.071 18.941 ( 0.000 7.662 0.855) 7.709 19.400 ( -0.000 7.429 -5.095) 9.009 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.868 -19.664 -2.387) 20.182 2.173 ( 8.243 -17.269 -4.828) 19.735 2.342 ( 0.604 -1.834 -3.218) 3.752 2.528 ( 0.536 -14.756 -9.145) 17.368 2.629 ( 5.957 -13.000 -2.390) 14.498 2.771 ( 3.804 -3.195 5.779) 7.621 2.989 ( 0.484 -5.818 2.166) 6.227 3.080 ( 3.411 -8.750 1.919) 9.586 3.205 ( -1.729 -1.439 -0.345) 2.275 3.317 ( 4.973 -2.904 1.376) 5.921 3.406 ( -0.956 -0.865 4.101) 4.299 3.548 ( 0.392 -3.309 2.704) 4.291 3.590 ( 1.359 1.327 -3.026) 3.573 3.925 ( -2.620 -0.917 -0.886) 2.914 4.011 ( 0.899 0.980 0.561) 1.444 4.064 ( 1.201 0.259 -0.985) 1.574 4.182 ( -0.151 4.523 -0.698) 4.579 4.241 ( -0.185 2.273 -0.118) 2.284 4.276 ( -0.022 -2.179 -0.555) 2.249 4.361 ( -0.736 3.422 3.977) 5.298 4.485 ( -0.629 1.234 -0.873) 1.638 4.567 ( -2.159 1.325 -0.233) 2.544 4.708 ( -4.293 6.701 0.824) 8.000 5.298 ( -4.190 15.855 4.059) 16.895 5.937 ( 1.047 -0.946 0.946) 1.699 6.161 ( 0.831 -0.089 0.798) 1.155 6.271 ( -0.663 -0.838 -2.618) 2.828 6.428 ( -0.104 0.137 0.643) 0.665 6.833 ( -0.197 0.267 -2.682) 2.702 6.839 ( -1.069 -1.712 -1.645) 2.603 8.745 ( -0.349 0.939 0.535) 1.136 8.786 ( 0.986 0.375 2.564) 2.772 8.890 ( 0.062 1.114 -1.102) 1.568 9.094 ( 0.394 1.092 1.409) 1.825 9.259 ( -0.638 -0.778 -5.833) 5.919 9.396 ( -0.187 -1.594 3.499) 3.850 9.577 ( 2.757 0.695 1.880) 3.408 9.598 ( 0.990 2.263 1.852) 3.087 10.060 ( -1.732 6.704 6.802) 9.706 10.326 ( 0.237 1.429 -1.160) 1.856 10.549 ( -5.108 -6.086 -10.326) 13.029 10.948 ( -7.126 5.037 -3.499) 9.402 11.144 ( 1.219 -0.366 -5.087) 5.244 11.519 ( 5.235 -0.844 10.496) 11.760 11.593 ( -3.136 0.554 0.818) 3.288 11.819 ( 2.714 -2.961 -2.666) 4.820 11.893 ( 5.827 0.857 -2.106) 6.255 12.102 ( -1.081 -2.845 -3.801) 4.870 12.239 ( 3.538 -2.803 -1.417) 4.731 12.572 ( -1.120 -1.470 0.568) 1.933 12.804 ( -0.127 -7.659 0.308) 7.667 13.408 ( -1.290 -3.064 -1.332) 3.582 16.263 ( 0.248 -2.705 -0.851) 2.846 16.426 ( -0.534 1.131 0.543) 1.363 16.812 ( 5.426 -2.127 0.296) 5.835 17.274 ( -0.284 6.059 3.377) 6.942 17.611 ( -1.619 -2.806 2.823) 4.297 17.680 ( 4.994 -3.451 2.303) 6.492 19.001 ( -4.421 10.677 3.395) 12.044 19.409 ( -6.582 9.617 -5.638) 12.945 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.000 -23.749 -5.458) 24.368 1.874 ( -0.000 -22.059 -3.386) 22.317 2.234 ( -0.000 -23.474 -10.656) 25.780 2.326 ( -0.000 -6.019 -1.778) 6.276 2.457 ( -0.000 -9.734 -1.417) 9.837 2.689 ( 0.000 -7.342 4.088) 8.403 2.913 ( 0.000 -15.078 3.591) 15.499 2.984 ( 0.000 -1.553 2.276) 2.755 3.213 ( -0.000 -3.682 -0.847) 3.778 3.236 ( 0.000 -0.485 0.113) 0.498 3.418 ( 0.000 -1.176 3.309) 3.512 3.527 ( 0.000 -0.850 1.354) 1.599 3.601 ( -0.000 3.236 -1.105) 3.419 3.956 ( 0.000 -1.488 0.715) 1.650 3.982 ( -0.000 0.918 -1.846) 2.061 4.044 ( -0.000 -2.029 -0.734) 2.158 4.230 ( -0.000 5.207 -1.459) 5.407 4.243 ( -0.000 -3.348 -0.331) 3.365 4.277 ( -0.000 4.367 -0.054) 4.368 4.417 ( 0.000 1.799 2.647) 3.200 4.505 ( 0.000 1.803 1.968) 2.669 4.595 ( 0.000 0.531 0.398) 0.663 4.840 ( 0.000 10.286 0.920) 10.327 5.513 ( 0.000 15.039 3.886) 15.533 5.915 ( 0.000 -1.748 0.478) 1.813 6.158 ( 0.000 0.322 0.966) 1.018 6.258 ( -0.000 -0.967 -2.990) 3.143 6.432 ( 0.000 -0.036 0.678) 0.679 6.826 ( -0.000 0.385 -3.275) 3.298 6.831 ( -0.000 -1.048 -0.256) 1.078 8.759 ( -0.000 0.799 -0.006) 0.799 8.789 ( 0.000 -0.018 3.260) 3.260 8.903 ( -0.000 1.952 -1.177) 2.279 9.114 ( 0.000 1.967 3.129) 3.696 9.226 ( -0.000 -2.285 -4.439) 4.993 9.397 ( 0.000 -1.566 1.717) 2.324 9.529 ( -0.000 -1.059 -0.677) 1.257 9.657 ( 0.000 5.034 2.797) 5.759 10.161 ( 0.000 4.955 4.980) 7.025 10.332 ( -0.000 1.587 -1.677) 2.309 10.502 ( -0.000 -5.385 -9.533) 10.949 11.077 ( -0.000 9.909 -9.161) 13.495 11.108 ( 0.000 -2.391 1.870) 3.035 11.521 ( 0.000 0.226 11.788) 11.790 11.604 ( -0.000 -0.795 -0.238) 0.829 11.765 ( -0.000 -5.436 -3.744) 6.600 11.815 ( -0.000 2.251 -4.573) 5.097 12.120 ( -0.000 -3.304 -6.269) 7.086 12.134 ( 0.000 -0.726 3.201) 3.282 12.552 ( -0.000 -2.407 -3.545) 4.285 12.714 ( 0.000 -11.619 4.399) 12.424 13.381 ( -0.000 -3.457 -1.694) 3.850 16.227 ( -0.000 -2.991 -1.028) 3.163 16.447 ( 0.000 1.464 0.899) 1.718 16.749 ( 0.000 -1.292 0.940) 1.598 17.351 ( 0.000 5.828 2.849) 6.487 17.602 ( 0.000 -7.023 6.104) 9.304 17.603 ( -0.000 -0.923 -0.904) 1.292 19.171 ( 0.000 11.909 4.821) 12.848 19.566 ( -0.000 12.544 -6.813) 14.275 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 -0.000 27.793) 27.793 0.617 ( 0.000 -0.000 27.793) 27.793 1.284 ( 0.000 -0.000 57.216) 57.216 2.003 ( -0.000 0.000 -9.461) 9.461 2.003 ( -0.000 0.000 -9.461) 9.461 2.237 ( -0.000 0.000 -0.417) 0.417 2.237 ( -0.000 0.000 -0.417) 0.417 2.962 ( 0.000 -0.000 6.709) 6.709 3.150 ( -0.000 0.000 -1.952) 1.952 3.150 ( -0.000 0.000 -1.952) 1.952 3.433 ( -0.000 0.000 -0.837) 0.837 3.623 ( -0.000 0.000 -7.302) 7.302 3.851 ( -0.000 0.000 -4.261) 4.261 3.962 ( -0.000 0.000 -10.100) 10.100 3.969 ( 0.000 -0.000 3.881) 3.881 3.969 ( 0.000 -0.000 3.881) 3.881 4.331 ( -0.000 0.000 -3.551) 3.551 4.331 ( -0.000 0.000 -3.551) 3.551 4.468 ( 0.000 -0.000 1.142) 1.142 4.468 ( 0.000 -0.000 1.142) 1.142 4.634 ( 0.000 -0.000 0.185) 0.185 4.634 ( 0.000 -0.000 0.185) 0.185 4.822 ( 0.000 -0.000 4.588) 4.588 5.286 ( -0.000 0.000 -13.690) 13.690 5.849 ( 0.000 -0.000 2.666) 2.666 6.205 ( 0.000 -0.000 1.455) 1.455 6.205 ( 0.000 -0.000 1.455) 1.455 6.414 ( -0.000 0.000 -1.369) 1.369 6.802 ( -0.000 0.000 -1.484) 1.484 6.802 ( -0.000 0.000 -1.484) 1.484 8.785 ( -0.000 0.000 -0.030) 0.030 8.785 ( -0.000 0.000 -0.030) 0.030 8.989 ( 0.000 -0.000 2.161) 2.161 9.193 ( -0.000 0.000 -5.499) 5.499 9.193 ( -0.000 0.000 -5.499) 5.499 9.578 ( 0.000 -0.000 10.770) 10.770 9.578 ( 0.000 -0.000 10.770) 10.770 10.077 ( -0.000 0.000 -0.504) 0.504 10.284 ( -0.000 0.000 -7.497) 7.497 10.284 ( -0.000 0.000 -7.497) 7.497 11.116 ( 0.000 -0.000 6.396) 6.396 11.116 ( 0.000 -0.000 6.396) 6.396 11.586 ( -0.000 0.000 -0.214) 0.214 11.586 ( -0.000 0.000 -0.214) 0.214 11.592 ( 0.000 -0.000 2.469) 2.469 11.824 ( -0.000 0.000 -1.759) 1.759 11.833 ( -0.000 0.000 -4.669) 4.669 11.833 ( -0.000 0.000 -4.669) 4.669 12.105 ( 0.000 -0.000 0.986) 0.986 12.105 ( 0.000 -0.000 0.986) 0.986 12.296 ( 0.000 -0.000 5.557) 5.557 13.457 ( -0.000 0.000 -4.783) 4.783 16.156 ( 0.000 -0.000 3.357) 3.357 16.520 ( -0.000 0.000 -3.042) 3.042 16.727 ( 0.000 -0.000 2.033) 2.033 16.727 ( 0.000 -0.000 2.033) 2.033 17.533 ( -0.000 0.000 -1.662) 1.662 17.533 ( -0.000 0.000 -1.662) 1.662 19.311 ( 0.000 -0.000 0.141) 0.141 20.446 ( -0.000 0.000 -0.017) 0.017 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 17.472 10.088 20.420) 28.706 1.006 ( 19.683 11.364 19.475) 29.930 1.633 ( 11.658 6.731 48.827) 50.648 2.049 ( 7.558 4.364 -8.596) 12.250 2.066 ( 7.029 4.058 -9.606) 12.576 2.249 ( 2.828 1.633 -1.210) 3.483 2.346 ( 6.856 3.958 -1.434) 8.046 2.987 ( 0.043 0.025 5.233) 5.233 3.150 ( 0.609 0.351 -2.164) 2.275 3.154 ( 0.580 0.335 -0.530) 0.854 3.423 ( -0.276 -0.159 -1.128) 1.172 3.597 ( 0.091 0.053 -7.127) 7.127 3.707 ( -7.328 -4.231 -1.932) 8.679 3.874 ( -2.051 -1.184 -4.494) 5.080 4.005 ( 1.053 0.608 4.703) 4.857 4.058 ( 4.491 2.593 1.353) 5.359 4.221 ( -5.763 -3.327 8.341) 10.671 4.287 ( -1.856 -1.072 -4.003) 4.541 4.397 ( -0.143 -0.082 -2.311) 2.316 4.447 ( -2.047 -1.182 0.905) 2.531 4.527 ( 0.761 0.439 0.361) 0.950 4.634 ( -0.383 -0.221 0.141) 0.464 5.150 ( -5.660 -3.268 -10.831) 12.650 5.348 ( 15.658 9.040 -20.306) 27.189 5.870 ( 0.877 0.506 2.461) 2.661 6.205 ( -0.089 -0.052 1.378) 1.382 6.219 ( 0.141 0.082 1.563) 1.572 6.410 ( 0.113 0.065 -1.490) 1.495 6.769 ( -1.195 -0.690 -1.558) 2.081 6.832 ( 1.563 0.903 -1.116) 2.122 8.774 ( -0.564 -0.326 -0.173) 0.674 8.813 ( 1.800 1.039 -0.190) 2.087 8.986 ( -0.623 -0.360 1.976) 2.103 9.148 ( -0.257 -0.149 -5.037) 5.046 9.210 ( 0.941 0.544 -4.965) 5.083 9.569 ( -3.777 -2.180 13.918) 14.586 9.615 ( 0.188 0.109 11.670) 11.672 9.978 ( -7.505 -4.333 0.131) 8.667 10.220 ( -1.784 -1.030 -8.454) 8.701 10.279 ( 0.097 0.056 -6.951) 6.952 10.756 ( -17.205 -9.933 21.921) 29.584 11.179 ( 1.998 1.154 6.752) 7.135 11.444 ( -8.308 -4.797 -2.499) 9.914 11.557 ( -5.724 -3.305 4.625) 8.067 11.586 ( -0.134 -0.078 -0.245) 0.290 11.733 ( 2.165 1.250 2.882) 3.815 11.755 ( -2.447 -1.413 -4.636) 5.429 11.862 ( 2.561 1.479 -4.222) 5.155 12.142 ( 1.392 0.804 0.347) 1.644 12.327 ( 11.614 6.705 2.517) 13.645 12.431 ( 5.335 3.080 2.710) 6.730 13.345 ( -3.507 -2.025 1.910) 4.477 16.164 ( 0.352 0.203 3.103) 3.129 16.470 ( -1.480 -0.855 -3.912) 4.269 16.754 ( 1.029 0.594 2.141) 2.448 17.064 ( 16.704 9.644 -8.554) 21.100 17.523 ( 0.164 0.095 -1.764) 1.774 17.547 ( 0.770 0.445 -1.666) 1.889 19.313 ( -1.276 -0.737 -6.677) 6.838 20.249 ( -13.941 -8.049 4.350) 16.675 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 18.419 10.634 15.072) 26.068 1.560 ( 20.762 11.987 13.089) 27.314 2.121 ( 15.488 8.942 32.265) 36.890 2.232 ( 7.922 4.574 -4.080) 10.017 2.277 ( 12.761 7.368 -2.878) 15.013 2.372 ( 9.026 5.211 -5.770) 11.913 2.523 ( 8.387 4.842 -2.254) 9.944 2.993 ( -0.210 -0.121 -0.904) 0.936 3.158 ( 0.780 0.451 -1.613) 1.848 3.178 ( 0.952 0.550 3.572) 3.737 3.426 ( 0.928 0.536 -0.446) 1.161 3.576 ( -2.988 -1.725 -2.997) 4.571 3.578 ( 0.132 0.076 -4.577) 4.580 3.834 ( -0.494 -0.285 -3.637) 3.681 4.050 ( 1.199 0.692 4.749) 4.946 4.129 ( -0.082 -0.047 4.233) 4.234 4.193 ( 1.760 1.016 0.993) 2.262 4.215 ( -2.931 -1.692 -3.666) 4.990 4.379 ( -3.766 -2.175 0.562) 4.385 4.418 ( 2.311 1.334 -3.773) 4.622 4.522 ( -1.287 -0.743 -4.424) 4.668 4.618 ( -0.910 -0.525 -0.163) 1.063 4.942 ( -8.018 -4.629 -4.153) 10.147 5.442 ( -0.807 -0.466 -14.283) 14.313 5.904 ( 1.356 0.783 1.451) 2.134 6.210 ( 0.155 0.090 1.552) 1.562 6.222 ( -0.249 -0.144 1.035) 1.075 6.408 ( 0.252 0.146 -1.550) 1.577 6.739 ( -0.914 -0.528 -0.343) 1.110 6.861 ( 0.961 0.555 -0.111) 1.116 8.759 ( -0.630 -0.364 -0.266) 0.774 8.844 ( 0.524 0.302 -0.378) 0.713 8.990 ( 0.641 0.370 1.272) 1.471 9.136 ( 0.569 0.329 -4.661) 4.707 9.197 ( -0.720 -0.416 -3.591) 3.686 9.535 ( -3.325 -1.920 15.590) 16.056 9.673 ( 1.157 0.668 10.437) 10.523 9.795 ( -6.532 -3.771 -0.782) 7.583 10.143 ( -1.984 -1.146 -8.119) 8.436 10.218 ( -2.929 -1.691 -8.602) 9.243 10.606 ( -3.965 -2.289 16.143) 16.779 11.193 ( -10.509 -6.068 -3.648) 12.672 11.254 ( 2.320 1.339 5.530) 6.145 11.486 ( -1.258 -0.727 2.351) 2.764 11.573 ( -0.777 -0.449 -1.331) 1.605 11.696 ( -1.365 -0.788 -1.923) 2.487 11.794 ( 2.219 1.281 -0.712) 2.659 11.954 ( 4.742 2.738 2.196) 5.900 12.169 ( 0.886 0.512 -0.647) 1.211 12.515 ( 1.153 0.665 3.376) 3.629 12.636 ( 12.807 7.394 2.465) 14.993 13.332 ( 1.045 0.603 2.463) 2.743 16.196 ( 1.371 0.792 2.481) 2.943 16.428 ( -0.851 -0.491 -3.499) 3.634 16.787 ( 1.133 0.654 1.487) 1.981 17.337 ( 7.357 4.248 -5.128) 9.924 17.528 ( 0.734 0.424 -1.198) 1.467 17.566 ( 2.974 1.717 -1.752) 3.856 19.191 ( -5.993 -3.460 -8.777) 11.177 19.891 ( -16.781 -9.689 4.763) 19.954 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 14.636 8.450 10.596) 19.947 2.042 ( 15.529 8.966 9.303) 20.201 2.394 ( 7.181 4.146 -1.578) 8.441 2.519 ( 12.535 7.237 1.351) 14.537 2.586 ( 9.403 5.429 9.968) 14.739 2.615 ( 11.816 6.822 -5.469) 14.700 2.743 ( 10.697 6.176 5.299) 13.440 2.977 ( 0.363 0.210 -7.048) 7.061 3.174 ( 0.183 0.106 1.010) 1.031 3.218 ( 0.876 0.506 5.973) 6.058 3.466 ( 3.098 1.789 -2.285) 4.245 3.538 ( 0.712 0.411 -3.501) 3.596 3.568 ( -0.264 -0.153 -0.865) 0.917 3.819 ( 0.320 0.185 -2.532) 2.559 4.084 ( -0.065 -0.038 2.570) 2.571 4.129 ( -3.130 -1.807 -1.486) 3.908 4.145 ( 0.907 0.524 2.266) 2.497 4.241 ( 1.739 1.004 -0.163) 2.015 4.281 ( -4.342 -2.507 0.279) 5.022 4.409 ( -3.182 -1.837 -15.098) 15.539 4.472 ( 1.099 0.634 0.321) 1.309 4.593 ( -0.963 -0.556 -0.421) 1.190 4.781 ( -5.871 -3.390 6.010) 9.060 5.272 ( -8.927 -5.154 -8.322) 13.248 5.939 ( 1.269 0.733 -0.150) 1.473 6.215 ( -0.520 -0.300 0.151) 0.619 6.224 ( 0.434 0.251 1.881) 1.947 6.411 ( 0.407 0.235 -1.364) 1.443 6.726 ( -0.336 -0.194 1.749) 1.792 6.875 ( 0.070 0.040 1.300) 1.302 8.744 ( -0.461 -0.266 -0.438) 0.689 8.836 ( -0.710 -0.410 -1.101) 1.373 9.003 ( -0.371 -0.214 -0.736) 0.851 9.145 ( 1.214 0.701 -0.628) 1.536 9.156 ( -1.756 -1.014 -1.732) 2.667 9.515 ( -2.511 -1.450 8.666) 9.138 9.695 ( -1.610 -0.929 -0.092) 1.861 9.727 ( 0.431 0.249 5.057) 5.082 10.084 ( -0.540 -0.312 -4.046) 4.093 10.087 ( -4.304 -2.485 -12.502) 13.453 10.606 ( -1.140 -0.658 13.315) 13.380 10.967 ( -7.847 -4.531 1.560) 9.195 11.314 ( 1.207 0.697 1.432) 1.999 11.506 ( 2.542 1.467 -1.837) 3.462 11.556 ( 0.129 0.075 -0.158) 0.218 11.672 ( -0.765 -0.442 1.017) 1.347 11.822 ( 0.840 0.485 -3.256) 3.397 12.082 ( 4.601 2.656 4.879) 7.213 12.179 ( 0.313 0.181 -1.464) 1.508 12.530 ( -0.952 -0.550 5.704) 5.809 12.911 ( 9.528 5.501 -1.618) 11.121 13.388 ( 2.434 1.405 2.777) 3.951 16.243 ( 1.881 1.086 1.903) 2.887 16.404 ( -0.411 -0.237 -2.152) 2.204 16.814 ( 0.756 0.436 0.237) 0.904 17.350 ( -2.568 -1.483 -4.007) 4.985 17.548 ( 1.071 0.618 -0.098) 1.241 17.716 ( 8.330 4.809 -3.224) 10.144 18.998 ( -7.352 -4.244 -6.491) 10.686 19.528 ( -14.441 -8.338 5.231) 17.476 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 7.953 4.592 3.953) 9.998 2.316 ( 5.162 2.980 5.293) 7.971 2.593 ( 9.773 5.642 -1.237) 11.352 2.727 ( 0.243 0.140 12.060) 12.064 2.767 ( 8.464 4.887 -10.315) 14.210 2.805 ( 2.953 1.705 0.235) 3.418 2.976 ( 4.681 2.703 1.422) 5.589 2.990 ( 4.236 2.446 -11.406) 12.411 3.168 ( 0.191 0.110 5.590) 5.594 3.266 ( 1.783 1.029 5.360) 5.742 3.549 ( -1.862 -1.075 1.855) 2.840 3.561 ( 2.413 1.393 -3.861) 4.761 3.586 ( 6.404 3.697 0.276) 7.399 3.837 ( 1.376 0.795 -0.461) 1.655 4.039 ( -2.063 -1.191 -1.603) 2.871 4.082 ( -2.247 -1.297 2.321) 3.481 4.175 ( -0.002 -0.001 -1.221) 1.221 4.200 ( -2.268 -1.309 0.288) 2.635 4.234 ( -1.463 -0.845 -3.971) 4.316 4.337 ( 1.843 1.064 -5.317) 5.727 4.504 ( 1.755 1.013 1.644) 2.609 4.575 ( -0.375 -0.216 -0.236) 0.493 4.683 ( -4.264 -2.462 4.130) 6.426 5.011 ( -9.747 -5.628 -3.885) 11.907 5.960 ( 0.752 0.434 -1.712) 1.920 6.200 ( -0.638 -0.368 -0.615) 0.960 6.242 ( 0.419 0.242 2.301) 2.352 6.418 ( 0.491 0.283 -0.920) 1.081 6.736 ( 0.299 0.173 3.750) 3.766 6.875 ( -0.622 -0.359 2.532) 2.631 8.735 ( -0.097 -0.056 -0.682) 0.691 8.814 ( -0.548 -0.316 -1.938) 2.039 8.965 ( -2.018 -1.165 -1.925) 3.022 9.110 ( -1.614 -0.932 -0.253) 1.881 9.186 ( 1.577 0.910 2.663) 3.226 9.481 ( -1.126 -0.650 -0.323) 1.340 9.676 ( -1.756 -1.014 1.799) 2.710 9.711 ( -1.841 -1.063 -3.147) 3.798 9.974 ( 0.036 0.021 -14.083) 14.083 10.104 ( 2.166 1.251 3.304) 4.144 10.636 ( -0.521 -0.301 13.068) 13.082 10.829 ( -5.225 -3.017 6.489) 8.860 11.310 ( -1.018 -0.587 -3.750) 3.929 11.568 ( 3.246 1.874 -5.883) 6.976 11.591 ( 2.129 1.229 3.091) 3.949 11.660 ( -0.907 -0.523 2.620) 2.822 11.821 ( 0.630 0.364 -4.655) 4.711 12.175 ( 0.005 0.003 -2.032) 2.032 12.187 ( 2.073 1.197 6.252) 6.694 12.526 ( -1.266 -0.731 8.869) 8.989 13.059 ( 4.053 2.340 -6.130) 7.712 13.451 ( 1.758 1.015 2.486) 3.209 16.294 ( 1.842 1.063 1.052) 2.372 16.389 ( -0.535 -0.309 -0.345) 0.707 16.822 ( 0.055 0.031 -1.067) 1.069 17.262 ( -2.614 -1.509 -4.985) 5.828 17.575 ( 1.019 0.588 1.050) 1.577 17.866 ( 5.055 2.919 -7.455) 9.469 18.829 ( -4.870 -2.812 -0.871) 5.690 19.281 ( -7.638 -4.410 6.317) 10.848 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 2.543 1.468 -0.558) 2.989 2.362 ( -2.156 -1.245 2.745) 3.706 2.588 ( -12.938 -7.470 0.924) 14.968 2.774 ( 1.818 1.049 -3.563) 4.135 2.782 ( -0.778 -0.449 1.517) 1.764 2.836 ( -1.616 -0.933 -1.823) 2.609 3.032 ( 0.940 0.543 -5.088) 5.202 3.061 ( 3.566 2.059 3.618) 5.481 3.231 ( 2.146 1.239 1.141) 2.728 3.356 ( 4.154 2.398 -0.401) 4.813 3.482 ( -4.210 -2.430 4.421) 6.571 3.554 ( -1.763 -1.018 -5.028) 5.425 3.727 ( 1.532 0.885 1.279) 2.183 3.867 ( 1.982 1.145 1.943) 3.002 4.015 ( -0.071 -0.041 -0.272) 0.284 4.052 ( 0.102 0.059 1.525) 1.530 4.100 ( -2.776 -1.603 -3.916) 5.061 4.167 ( -0.442 -0.255 -0.216) 0.554 4.266 ( 3.304 1.907 -1.733) 4.190 4.359 ( 0.536 0.309 2.899) 2.964 4.528 ( -3.979 -2.297 -1.575) 4.856 4.575 ( 0.307 0.177 0.080) 0.363 4.637 ( 1.187 0.685 1.533) 2.057 4.907 ( 4.921 2.841 -1.093) 5.786 5.962 ( 0.082 0.047 -2.359) 2.361 6.181 ( -0.676 -0.390 -1.099) 1.348 6.258 ( 0.051 0.029 2.693) 2.693 6.426 ( 0.423 0.244 -0.535) 0.724 6.765 ( 0.698 0.403 4.800) 4.867 6.866 ( -0.981 -0.566 2.940) 3.151 8.735 ( 0.318 0.184 -0.767) 0.850 8.803 ( 0.460 0.265 -2.878) 2.927 8.908 ( -2.012 -1.161 -1.488) 2.758 9.084 ( -0.497 -0.287 0.191) 0.604 9.228 ( 0.977 0.564 3.319) 3.506 9.466 ( 0.033 0.019 -3.751) 3.751 9.612 ( -2.568 -1.483 -1.312) 3.243 9.639 ( -2.432 -1.404 -5.767) 6.415 9.992 ( 4.392 2.536 -10.925) 12.045 10.188 ( 2.984 1.723 5.910) 6.841 10.655 ( -2.899 -1.674 12.392) 12.836 10.778 ( -0.548 -0.316 9.968) 9.988 11.253 ( -2.197 -1.268 -5.274) 5.852 11.594 ( 1.285 0.742 -10.519) 10.623 11.637 ( -0.318 -0.184 0.352) 0.509 11.672 ( 1.850 1.068 6.584) 6.922 11.830 ( 0.997 0.576 -2.246) 2.524 12.166 ( -0.046 -0.026 -2.475) 2.475 12.213 ( -1.902 -1.098 7.320) 7.642 12.541 ( -0.399 -0.230 9.533) 9.544 13.061 ( -1.471 -0.849 -8.439) 8.608 13.476 ( -0.389 -0.225 1.773) 1.829 16.321 ( -0.338 -0.195 -0.034) 0.392 16.386 ( 0.550 0.318 1.324) 1.469 16.809 ( -0.652 -0.376 -1.810) 1.960 17.216 ( 0.593 0.342 -5.315) 5.359 17.599 ( 0.542 0.313 1.690) 1.802 17.877 ( -1.215 -0.702 -11.042) 11.130 18.800 ( 2.413 1.393 2.905) 4.025 19.220 ( 0.255 0.147 7.200) 7.207 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -18.335 -10.586 0.473) 21.177 2.223 ( -10.714 -6.186 2.349) 12.592 2.347 ( -0.595 -0.343 -1.145) 1.335 2.642 ( -7.319 -4.226 0.689) 8.479 2.664 ( -13.519 -7.805 5.139) 16.434 2.799 ( -1.580 -0.912 -3.747) 4.167 3.021 ( -0.736 -0.425 -1.834) 2.021 3.117 ( -2.075 -1.198 3.938) 4.610 3.243 ( -0.841 -0.485 -1.554) 1.832 3.318 ( -5.114 -2.953 -1.728) 6.153 3.465 ( -2.500 -1.443 -5.439) 6.157 3.510 ( 3.728 2.152 4.224) 6.031 3.632 ( -6.189 -3.573 -2.651) 7.622 3.945 ( 1.923 1.110 3.426) 4.083 3.995 ( -1.422 -0.821 -1.093) 1.972 4.062 ( 0.121 0.070 -1.943) 1.948 4.115 ( 4.114 2.375 1.649) 5.028 4.194 ( 2.726 1.574 0.231) 3.156 4.322 ( -2.297 -1.326 -0.528) 2.704 4.363 ( 2.012 1.162 -1.373) 2.699 4.467 ( 1.534 0.886 -0.114) 1.775 4.585 ( 0.473 0.273 -0.069) 0.550 4.686 ( 3.499 2.020 1.207) 4.216 5.177 ( 14.830 8.562 -0.903) 17.148 5.947 ( -0.756 -0.436 -1.789) 1.990 6.163 ( -0.359 -0.207 -1.269) 1.335 6.263 ( -0.480 -0.277 2.956) 3.008 6.432 ( 0.203 0.117 -0.472) 0.527 6.799 ( 0.689 0.398 4.574) 4.643 6.850 ( -1.058 -0.611 2.102) 2.431 8.744 ( 0.599 0.346 -0.477) 0.840 8.806 ( 0.440 0.254 -4.833) 4.859 8.874 ( -0.213 -0.123 0.918) 0.950 9.089 ( 0.904 0.522 -0.848) 1.345 9.249 ( -0.549 -0.317 3.284) 3.344 9.434 ( -1.279 -0.738 -3.428) 3.733 9.569 ( -1.863 -1.075 -3.790) 4.358 9.594 ( 1.672 0.965 -2.735) 3.348 10.072 ( 5.038 2.909 -8.495) 10.296 10.274 ( 2.462 1.421 4.800) 5.579 10.588 ( -5.349 -3.089 10.556) 12.231 10.878 ( 4.877 2.816 11.509) 12.813 11.176 ( -2.567 -1.482 -4.414) 5.317 11.564 ( 0.113 0.065 -12.710) 12.711 11.621 ( -0.889 -0.513 0.748) 1.270 11.747 ( 2.240 1.293 5.574) 6.145 11.830 ( -1.364 -0.788 1.324) 2.058 12.154 ( -0.187 -0.108 -2.910) 2.918 12.169 ( -3.503 -2.023 7.764) 8.755 12.563 ( -0.563 -0.325 6.657) 6.689 12.937 ( -6.376 -3.681 -7.740) 10.682 13.445 ( -2.572 -1.485 1.492) 3.324 16.284 ( -2.347 -1.355 0.590) 2.773 16.417 ( 1.370 0.791 0.487) 1.656 16.781 ( -1.085 -0.626 -1.722) 2.130 17.254 ( 3.873 2.236 -4.531) 6.366 17.610 ( -0.171 -0.099 1.595) 1.607 17.760 ( -4.794 -2.768 -9.083) 10.637 18.945 ( 8.585 4.956 0.203) 9.915 19.331 ( 6.533 3.772 7.322) 10.513 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 20.288 20.519) 28.855 1.068 ( 0.000 19.953 21.236) 29.139 1.812 ( 0.000 11.551 48.815) 50.163 1.998 ( -0.000 8.060 -10.495) 13.232 2.040 ( -0.000 9.850 -11.848) 15.408 2.279 ( -0.000 5.246 -0.055) 5.246 2.307 ( -0.000 4.953 -1.452) 5.161 2.995 ( 0.000 -2.023 4.125) 4.595 3.148 ( -0.000 0.684 -2.123) 2.231 3.151 ( 0.000 1.774 1.286) 2.192 3.413 ( -0.000 -0.799 -1.972) 2.128 3.572 ( -0.000 0.849 -7.901) 7.946 3.693 ( -0.000 -7.916 -3.947) 8.845 3.874 ( -0.000 -0.002 -5.896) 5.896 3.983 ( 0.000 -0.761 4.138) 4.208 4.087 ( 0.000 5.479 2.658) 6.090 4.223 ( 0.000 -5.607 3.913) 6.837 4.311 ( -0.000 -0.180 -3.489) 3.494 4.431 ( 0.000 -1.729 1.125) 2.063 4.453 ( 0.000 -2.353 0.951) 2.537 4.478 ( -0.000 -1.927 -0.589) 2.015 4.622 ( 0.000 -0.904 0.152) 0.917 5.115 ( -0.000 -5.747 -10.907) 12.328 5.296 ( -0.000 18.951 -16.672) 25.241 5.878 ( 0.000 0.748 2.500) 2.610 6.199 ( 0.000 -1.080 1.407) 1.774 6.239 ( 0.000 1.510 1.432) 2.081 6.404 ( -0.000 0.139 -1.509) 1.516 6.779 ( -0.000 0.211 -1.084) 1.104 6.818 ( -0.000 1.241 -1.442) 1.902 8.786 ( -0.000 -0.212 -0.087) 0.229 8.789 ( -0.000 0.305 -0.423) 0.522 8.989 ( 0.000 -1.348 1.912) 2.340 9.117 ( -0.000 -1.779 -3.318) 3.764 9.209 ( -0.000 2.881 -5.255) 5.993 9.605 ( 0.000 -5.137 15.554) 16.380 9.651 ( 0.000 -0.822 9.544) 9.580 9.966 ( -0.000 -9.263 -0.420) 9.273 10.209 ( -0.000 -0.752 -7.536) 7.573 10.254 ( -0.000 1.293 -8.237) 8.338 10.855 ( 0.000 -18.678 17.871) 25.850 11.138 ( 0.000 -0.930 6.393) 6.461 11.492 ( -0.000 -10.584 -5.268) 11.822 11.547 ( 0.000 -0.011 1.730) 1.730 11.580 ( -0.000 -0.081 -0.531) 0.537 11.704 ( 0.000 -4.487 5.279) 6.928 11.847 ( -0.000 1.921 -4.477) 4.872 11.876 ( -0.000 9.544 -2.061) 9.764 12.089 ( 0.000 -0.763 1.022) 1.275 12.318 ( 0.000 10.488 4.193) 11.295 12.431 ( 0.000 5.492 1.281) 5.639 13.359 ( 0.000 -2.499 0.376) 2.527 16.179 ( 0.000 0.442 3.702) 3.729 16.455 ( -0.000 -1.888 -4.116) 4.529 16.735 ( 0.000 -0.076 2.059) 2.060 17.041 ( -0.000 17.887 -5.972) 18.857 17.509 ( -0.000 -1.284 -1.690) 2.122 17.539 ( -0.000 1.303 -1.680) 2.126 19.299 ( -0.000 -1.909 -5.191) 5.531 20.275 ( 0.000 -13.967 2.853) 14.255 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 9.265 18.533 17.276) 26.977 1.480 ( 12.311 19.998 15.764) 28.284 2.140 ( 7.109 11.124 1.282) 13.264 2.148 ( 6.217 10.644 -2.624) 12.603 2.189 ( 7.004 13.137 21.521) 26.168 2.341 ( 1.928 8.316 -2.319) 8.846 2.434 ( 6.512 5.343 -0.980) 8.480 2.977 ( 0.134 -2.735 -0.426) 2.771 3.153 ( 0.585 1.301 -1.924) 2.396 3.191 ( 0.477 2.198 4.620) 5.138 3.402 ( 0.706 -0.886 -1.501) 1.881 3.552 ( -0.663 -0.582 -6.181) 6.243 3.595 ( -1.190 -2.107 -3.890) 4.581 3.845 ( -1.428 1.546 -4.740) 5.187 4.022 ( 2.830 -1.041 4.023) 5.027 4.151 ( 0.109 2.838 1.472) 3.199 4.182 ( -0.095 -2.278 2.938) 3.719 4.267 ( -3.513 0.021 -2.109) 4.097 4.380 ( -0.027 -0.166 -2.337) 2.343 4.415 ( -2.445 -2.591 -1.482) 3.858 4.487 ( 1.732 -3.044 -2.034) 4.050 4.613 ( -0.086 -1.388 -0.033) 1.392 4.980 ( -4.096 -5.551 -5.525) 8.838 5.401 ( 1.103 5.047 -14.164) 15.077 5.901 ( 0.698 0.822 1.747) 2.053 6.197 ( 0.552 -1.174 1.472) 1.962 6.251 ( -0.884 1.393 0.862) 1.862 6.402 ( 0.108 0.254 -1.466) 1.492 6.764 ( -1.552 1.072 -0.069) 1.888 6.844 ( 1.470 1.037 -0.944) 2.032 8.767 ( -0.768 -0.359 -0.053) 0.849 8.815 ( 1.936 -0.614 -0.842) 2.199 8.980 ( 0.179 -1.340 1.089) 1.736 9.102 ( 0.988 -0.963 -1.881) 2.332 9.212 ( -0.941 2.481 -4.881) 5.555 9.592 ( -1.377 -5.377 16.265) 17.186 9.686 ( 1.375 -1.398 9.418) 9.620 9.828 ( -3.906 -8.477 -0.393) 9.342 10.147 ( -2.080 -1.292 -8.220) 8.577 10.222 ( -1.832 0.387 -8.655) 8.855 10.705 ( -5.279 -6.186 15.615) 17.606 11.149 ( -1.038 -6.566 1.332) 6.780 11.342 ( -1.319 -2.173 -3.043) 3.965 11.498 ( -3.724 -2.528 2.562) 5.179 11.628 ( 3.564 -2.084 -0.492) 4.158 11.660 ( -4.233 1.963 3.374) 5.758 11.829 ( -1.461 3.491 -2.693) 4.645 11.962 ( 0.964 7.338 -0.114) 7.402 12.139 ( 3.445 0.033 -0.500) 3.481 12.500 ( 2.537 2.653 1.570) 3.992 12.530 ( 7.706 8.644 4.769) 12.524 13.343 ( -0.391 0.832 1.616) 1.860 16.202 ( 0.319 1.274 3.232) 3.488 16.418 ( -0.428 -1.015 -4.043) 4.191 16.771 ( 2.247 0.358 1.641) 2.805 17.253 ( 6.716 11.019 -4.908) 13.806 17.482 ( 0.053 -3.317 -1.096) 3.494 17.563 ( 1.441 2.527 -1.661) 3.349 19.207 ( -3.822 -4.905 -6.865) 9.263 20.032 ( -10.353 -14.477 3.249) 18.092 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 10.964 13.101 13.743) 21.925 1.958 ( 13.247 17.044 11.032) 24.243 2.320 ( 6.322 6.422 -4.585) 10.111 2.416 ( 9.382 11.604 -3.693) 15.372 2.494 ( 7.432 9.250 1.969) 12.028 2.545 ( 7.871 10.099 0.391) 12.809 2.661 ( 9.840 8.358 13.657) 18.794 2.947 ( 0.033 -1.596 -4.389) 4.670 3.192 ( 1.207 3.433 1.100) 3.801 3.237 ( 0.434 1.376 5.843) 6.019 3.403 ( 1.726 -2.654 -1.338) 3.437 3.509 ( 0.536 0.070 -5.454) 5.481 3.590 ( -0.045 2.562 -1.824) 3.145 3.824 ( -1.074 1.742 -3.795) 4.312 4.074 ( 2.242 -1.032 3.672) 4.424 4.138 ( -1.153 -0.590 -0.636) 1.442 4.180 ( -1.974 -1.329 -0.938) 2.558 4.220 ( -0.222 1.237 0.287) 1.289 4.314 ( -3.287 -4.294 -3.902) 6.669 4.382 ( 0.108 -0.083 -6.900) 6.901 4.456 ( -0.116 -1.923 -0.488) 1.987 4.589 ( -0.503 -1.830 -0.243) 1.913 4.846 ( -4.356 -4.767 3.153) 7.186 5.321 ( -5.419 -3.858 -9.071) 11.248 5.928 ( 0.930 0.734 0.381) 1.244 6.205 ( 0.868 -0.841 1.525) 1.946 6.245 ( -1.170 0.946 0.156) 1.513 6.403 ( 0.245 0.371 -1.219) 1.297 6.754 ( -1.266 1.388 1.429) 2.360 6.873 ( 0.809 0.673 0.383) 1.120 8.751 ( -0.709 -0.300 0.033) 0.771 8.826 ( 0.732 -1.238 -1.491) 2.072 8.978 ( 0.853 -1.631 -0.748) 1.987 9.119 ( 1.798 -0.172 0.850) 1.996 9.189 ( -2.237 1.643 -3.683) 4.612 9.568 ( -2.205 -4.780 12.592) 13.648 9.693 ( -1.667 -4.565 -0.695) 4.910 9.727 ( 0.985 -1.725 5.840) 6.169 10.062 ( -1.676 -3.288 -7.754) 8.588 10.135 ( -4.433 1.777 -8.981) 10.172 10.659 ( -1.969 -1.942 13.132) 13.420 10.994 ( -4.006 -8.213 -2.490) 9.471 11.360 ( -2.248 3.479 2.742) 4.968 11.451 ( 2.542 -2.001 -0.231) 3.244 11.603 ( -1.651 -1.214 2.964) 3.604 11.677 ( -0.285 3.514 -0.201) 3.531 11.836 ( -0.788 3.108 -4.076) 5.186 12.069 ( 2.715 5.302 3.285) 6.802 12.186 ( 1.224 2.521 -2.715) 3.902 12.543 ( 0.576 -0.520 5.225) 5.282 12.779 ( 9.414 5.109 0.277) 10.715 13.376 ( 1.442 1.723 2.338) 3.242 16.239 ( 0.948 1.496 2.463) 3.034 16.395 ( -0.010 -0.340 -2.921) 2.941 16.819 ( 1.144 2.044 0.433) 2.382 17.373 ( -2.008 1.534 -3.022) 3.939 17.469 ( 5.343 -3.048 -1.606) 6.357 17.653 ( 4.540 6.007 -1.524) 7.682 19.032 ( -5.859 -6.618 -6.008) 10.687 19.688 ( -12.927 -12.438 3.790) 18.335 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 7.523 5.926 7.592) 12.221 2.327 ( 5.569 11.382 7.743) 14.850 2.495 ( 7.995 7.412 -2.340) 11.150 2.635 ( 8.212 7.608 -8.470) 14.038 2.723 ( 6.201 3.164 8.599) 11.064 2.788 ( 7.306 11.485 -3.306) 14.008 2.908 ( 1.635 -0.016 -4.964) 5.227 2.939 ( 4.467 5.170 2.656) 7.331 3.219 ( -2.425 1.279 3.907) 4.773 3.290 ( 0.264 2.289 4.847) 5.366 3.449 ( 7.148 0.242 -1.038) 7.227 3.538 ( 2.439 2.189 -2.327) 4.019 3.612 ( -0.879 3.237 0.867) 3.465 3.825 ( 0.593 1.779 -1.932) 2.692 4.072 ( -2.948 -0.294 -2.231) 3.708 4.103 ( -0.111 -2.343 1.342) 2.702 4.149 ( -0.677 -1.473 -1.317) 2.089 4.193 ( -0.827 -2.980 -1.665) 3.512 4.259 ( 2.137 -0.271 -1.016) 2.382 4.311 ( -4.003 1.122 -6.200) 7.465 4.475 ( 2.332 -0.540 1.098) 2.634 4.561 ( -0.007 -2.184 -0.128) 2.188 4.735 ( -4.215 -5.716 5.084) 8.734 5.100 ( -8.949 -7.188 -4.661) 12.389 5.948 ( 0.662 0.611 -1.076) 1.403 6.211 ( -0.515 0.159 -0.190) 0.572 6.242 ( 0.326 0.044 1.460) 1.496 6.409 ( 0.386 0.287 -0.780) 0.916 6.759 ( -0.546 1.241 2.897) 3.199 6.888 ( -0.110 0.163 1.963) 1.973 8.736 ( -0.549 -0.347 -0.223) 0.686 8.813 ( -0.147 -0.453 -2.165) 2.217 8.959 ( -0.355 -2.087 -1.482) 2.584 9.144 ( -2.580 0.594 -2.087) 3.371 9.165 ( 2.224 -0.037 3.317) 3.993 9.500 ( -2.536 -3.028 1.799) 4.340 9.673 ( 0.778 -2.678 2.769) 3.930 9.714 ( -0.942 -2.056 -0.315) 2.284 9.948 ( -2.860 -1.477 -13.242) 13.628 10.106 ( 0.602 2.433 0.584) 2.573 10.669 ( -0.196 -1.827 12.086) 12.225 10.862 ( -2.481 -6.494 2.914) 7.538 11.329 ( -2.742 0.148 -1.086) 2.953 11.499 ( 2.872 -0.760 -2.233) 3.716 11.622 ( 1.227 3.208 5.010) 6.074 11.692 ( -1.942 3.472 -1.687) 4.321 11.836 ( -0.808 3.553 -4.788) 6.017 12.164 ( 1.099 2.443 3.636) 4.517 12.227 ( 0.601 4.750 -1.615) 5.053 12.558 ( -0.316 -1.418 8.639) 8.760 12.944 ( 6.899 0.025 -4.897) 8.460 13.432 ( 1.978 0.850 2.192) 3.072 16.281 ( 1.358 1.212 1.478) 2.345 16.387 ( 0.112 -0.185 -1.146) 1.166 16.853 ( -0.670 3.856 -0.825) 4.000 17.287 ( -4.105 -1.632 -3.758) 5.800 17.536 ( 4.281 -1.369 -0.326) 4.507 17.796 ( 4.483 5.689 -4.448) 8.500 18.847 ( -4.314 -7.355 -2.137) 8.790 19.387 ( -9.376 -8.821 4.991) 13.807 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 3.757 1.383 2.225) 4.580 2.437 ( -2.127 4.272 2.701) 5.483 2.700 ( 2.820 3.842 -6.973) 8.446 2.734 ( -3.478 0.851 2.294) 4.253 2.818 ( -0.981 0.427 3.702) 3.854 2.859 ( 0.829 4.039 -2.295) 4.719 2.972 ( 3.446 2.989 -0.777) 4.627 3.069 ( 3.446 6.640 -0.712) 7.515 3.221 ( 0.511 1.178 -0.192) 1.298 3.328 ( 1.466 1.874 0.878) 2.536 3.543 ( 0.808 1.776 -2.875) 3.475 3.570 ( -3.302 1.112 0.334) 3.500 3.688 ( 5.125 3.078 4.074) 7.235 3.856 ( 1.088 0.747 1.034) 1.677 4.027 ( -1.081 0.659 -1.071) 1.658 4.048 ( -1.275 -3.759 -1.148) 4.132 4.096 ( -1.508 -1.433 -0.436) 2.125 4.211 ( 3.266 0.047 -1.413) 3.559 4.234 ( -4.202 2.410 -1.359) 5.031 4.320 ( 3.846 -1.242 0.286) 4.052 4.516 ( 2.139 -2.344 1.523) 3.520 4.560 ( 0.989 -1.322 0.946) 1.903 4.620 ( -1.806 -4.420 0.435) 4.795 4.891 ( -3.706 -3.750 -2.098) 5.674 5.956 ( 0.162 0.620 -1.987) 2.088 6.194 ( -1.180 0.450 -1.197) 1.740 6.260 ( 0.680 -0.256 2.464) 2.569 6.417 ( 0.528 0.043 -0.426) 0.680 6.779 ( 0.217 0.765 3.795) 3.877 6.887 ( -0.845 -0.457 2.973) 3.125 8.725 ( 0.045 -0.427 -0.570) 0.713 8.801 ( -0.269 0.632 -3.009) 3.086 8.919 ( -1.351 -1.361 -0.857) 2.100 9.102 ( -1.740 -0.033 -0.326) 1.770 9.213 ( 1.975 -0.624 3.511) 4.076 9.454 ( -0.446 -0.825 -2.158) 2.353 9.614 ( -2.157 -3.038 -2.557) 4.519 9.682 ( -2.712 0.145 -1.632) 3.168 9.895 ( 2.935 1.040 -12.067) 12.462 10.178 ( 2.979 1.969 4.852) 6.024 10.687 ( -0.003 -4.084 10.697) 11.451 10.794 ( -0.347 -4.442 8.379) 9.490 11.263 ( -2.979 -1.277 -3.424) 4.715 11.526 ( 3.123 -2.255 -1.957) 4.321 11.664 ( -2.825 2.285 -5.233) 6.370 11.714 ( 0.436 7.254 3.412) 8.028 11.856 ( -0.445 4.502 -1.974) 4.936 12.181 ( -1.948 1.580 1.736) 3.051 12.278 ( -0.420 2.942 2.069) 3.621 12.572 ( -0.326 -1.163 9.397) 9.474 12.990 ( 3.178 -3.836 -7.506) 9.009 13.468 ( 1.036 -0.817 1.393) 1.919 16.315 ( 0.836 0.344 0.143) 0.915 16.385 ( 0.152 -0.124 0.854) 0.876 16.867 ( -2.761 5.414 -1.188) 6.192 17.200 ( -1.746 -0.790 -4.906) 5.267 17.590 ( 2.767 -0.580 0.867) 2.957 17.858 ( -0.717 3.611 -8.954) 9.682 18.750 ( 1.815 -5.699 2.310) 6.412 19.232 ( -2.120 -5.022 5.991) 8.100 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -1.175 -1.064 1.698) 2.323 2.374 ( -7.159 -1.261 -1.801) 7.489 2.462 ( -15.770 -1.920 2.322) 16.055 2.719 ( -5.793 -3.444 2.160) 7.077 2.799 ( -1.684 0.944 -1.255) 2.302 2.859 ( -6.733 2.031 -0.442) 7.047 3.031 ( -0.155 1.716 1.333) 2.178 3.159 ( -0.374 3.087 4.114) 5.157 3.233 ( 0.439 -0.462 -3.124) 3.189 3.370 ( -0.353 2.065 -5.515) 5.899 3.476 ( -4.820 -1.727 -2.931) 5.900 3.537 ( -1.692 2.701 2.293) 3.926 3.699 ( -5.316 -2.855 -0.985) 6.114 3.913 ( 3.037 0.294 3.227) 4.441 3.991 ( 0.178 -1.979 -1.617) 2.561 4.043 ( 1.260 0.967 -0.657) 1.719 4.100 ( 1.564 1.861 1.450) 2.830 4.199 ( -0.871 1.964 -0.328) 2.173 4.282 ( 3.524 2.102 -2.626) 4.871 4.365 ( 0.196 -4.045 5.326) 6.690 4.448 ( -0.637 -1.559 -2.142) 2.725 4.549 ( 1.745 -2.782 0.523) 3.326 4.636 ( 2.622 -1.878 0.319) 3.241 4.985 ( 12.941 4.835 -2.340) 14.011 5.953 ( -0.481 0.630 -1.918) 2.075 6.174 ( -1.096 0.473 -1.175) 1.675 6.273 ( 0.095 -0.556 2.671) 2.729 6.425 ( 0.498 -0.061 -0.386) 0.632 6.807 ( 0.662 0.281 3.910) 3.975 6.870 ( -1.246 -1.217 2.660) 3.179 8.728 ( 0.886 -0.088 -0.614) 1.081 8.793 ( -0.146 0.782 -3.696) 3.780 8.886 ( -1.053 -0.160 0.334) 1.116 9.085 ( -0.204 0.222 -0.043) 0.305 9.247 ( 1.262 -1.158 3.948) 4.303 9.431 ( -0.658 -0.195 -3.865) 3.926 9.565 ( 0.381 -1.038 -2.528) 2.759 9.620 ( -3.857 2.632 -3.562) 5.873 9.956 ( 6.121 1.245 -9.013) 10.966 10.267 ( 2.579 1.795 4.408) 5.414 10.638 ( -2.341 -7.364 9.830) 12.504 10.837 ( 4.392 -2.211 9.843) 11.003 11.183 ( -2.552 -1.791 -2.203) 3.817 11.546 ( 1.292 0.498 -5.651) 5.818 11.612 ( -1.847 0.001 -4.374) 4.748 11.798 ( -1.205 7.736 3.120) 8.428 11.882 ( -1.316 3.472 0.133) 3.716 12.150 ( -2.741 -0.941 3.280) 4.377 12.279 ( -2.981 1.982 2.187) 4.195 12.585 ( -0.379 -0.843 5.568) 5.644 12.934 ( -1.200 -5.256 -5.903) 7.994 13.457 ( -0.753 -2.367 0.967) 2.665 16.308 ( -1.308 -0.874 0.085) 1.576 16.402 ( 1.091 0.205 0.948) 1.460 16.853 ( -4.679 5.356 -0.858) 7.164 17.192 ( 2.785 1.040 -4.869) 5.705 17.625 ( 1.066 -0.286 0.848) 1.392 17.789 ( -5.226 1.180 -8.499) 10.047 18.818 ( 8.491 -1.334 1.301) 8.693 19.249 ( 5.512 -2.419 6.183) 8.630 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 22.045 14.543) 26.409 1.634 ( 0.000 20.419 17.263) 26.739 2.178 ( -0.000 15.505 -8.181) 17.531 2.191 ( -0.000 11.482 -9.821) 15.109 2.398 ( -0.000 5.336 -3.555) 6.412 2.400 ( 0.000 13.080 29.489) 32.259 2.445 ( 0.000 12.704 3.992) 13.316 2.938 ( -0.000 -3.427 -1.251) 3.648 3.151 ( -0.000 1.458 -1.778) 2.299 3.234 ( 0.000 2.735 5.250) 5.920 3.381 ( -0.000 -0.864 -1.824) 2.018 3.544 ( -0.000 -3.777 -3.794) 5.354 3.554 ( -0.000 2.222 -5.720) 6.137 3.865 ( -0.000 3.076 -6.812) 7.475 3.996 ( 0.000 -0.886 3.997) 4.094 4.161 ( 0.000 -3.116 2.388) 3.926 4.193 ( 0.000 2.944 1.174) 3.170 4.274 ( -0.000 -1.174 -3.077) 3.294 4.384 ( -0.000 -5.153 -6.023) 7.927 4.386 ( 0.000 -4.571 0.535) 4.602 4.433 ( 0.000 1.276 0.189) 1.290 4.602 ( 0.000 -0.996 0.141) 1.006 4.944 ( -0.000 -4.893 -2.774) 5.624 5.392 ( -0.000 2.183 -12.363) 12.554 5.908 ( 0.000 0.616 1.456) 1.581 6.184 ( 0.000 -1.291 1.487) 1.969 6.276 ( 0.000 1.342 0.129) 1.348 6.399 ( -0.000 0.362 -1.296) 1.346 6.805 ( 0.000 2.298 1.072) 2.536 6.831 ( -0.000 1.138 -1.943) 2.252 8.772 ( -0.000 -0.925 -0.586) 1.095 8.781 ( 0.000 -0.923 0.161) 0.937 8.965 ( 0.000 -1.890 1.087) 2.181 9.080 ( -0.000 -0.516 -0.164) 0.541 9.234 ( -0.000 3.210 -5.138) 6.058 9.604 ( 0.000 -6.638 17.528) 18.743 9.676 ( 0.000 -2.831 7.601) 8.111 9.767 ( -0.000 -8.971 -0.409) 8.980 10.103 ( -0.000 -4.265 -9.169) 10.112 10.224 ( -0.000 1.859 -8.286) 8.492 10.755 ( 0.000 -3.206 12.589) 12.991 11.167 ( 0.000 -0.771 6.029) 6.078 11.218 ( -0.000 -8.186 -10.519) 13.329 11.541 ( 0.000 -3.868 6.104) 7.226 11.579 ( -0.000 0.567 -0.800) 0.981 11.738 ( 0.000 2.417 2.232) 3.290 11.845 ( -0.000 0.987 -4.599) 4.704 12.035 ( -0.000 7.356 -2.360) 7.725 12.088 ( 0.000 -0.262 1.515) 1.538 12.519 ( 0.000 3.740 1.372) 3.984 12.592 ( 0.000 10.968 6.224) 12.611 13.365 ( 0.000 1.725 0.926) 1.958 16.228 ( 0.000 1.685 3.296) 3.702 16.398 ( -0.000 -0.592 -3.979) 4.023 16.752 ( 0.000 0.226 2.016) 2.028 17.295 ( -0.000 8.852 -3.929) 9.685 17.455 ( 0.000 -1.868 0.795) 2.030 17.560 ( -0.000 1.822 -1.665) 2.468 19.163 ( -0.000 -6.225 -6.312) 8.865 19.971 ( 0.000 -16.433 1.486) 16.500 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 3.431 16.491 14.465) 22.203 1.995 ( 8.501 19.445 11.873) 24.318 2.286 ( 2.918 8.726 -8.861) 12.773 2.390 ( 7.049 16.214 -5.533) 18.526 2.491 ( 5.423 4.699 -2.734) 7.679 2.549 ( 0.876 11.754 0.963) 11.826 2.716 ( 4.075 13.805 19.703) 24.400 2.909 ( 0.766 -1.910 -2.487) 3.228 3.190 ( 2.612 2.855 1.277) 4.075 3.277 ( -0.113 2.160 4.630) 5.110 3.362 ( -0.526 -1.977 -0.881) 2.228 3.491 ( -0.432 0.433 -4.707) 4.747 3.588 ( 2.014 2.054 -2.332) 3.703 3.857 ( -1.533 3.176 -6.359) 7.272 4.027 ( 2.451 -1.133 3.014) 4.047 4.133 ( -0.081 -2.550 0.559) 2.611 4.198 ( -2.287 0.256 -1.506) 2.750 4.244 ( -0.779 -1.205 -1.988) 2.452 4.290 ( -1.608 -4.655 -5.248) 7.197 4.347 ( 1.257 -2.938 0.038) 3.196 4.450 ( -0.460 0.917 -0.023) 1.026 4.584 ( -0.859 -1.269 -0.043) 1.533 4.867 ( -2.717 -4.949 1.730) 5.905 5.319 ( -2.803 -4.719 -8.971) 10.517 5.922 ( 0.574 0.379 0.646) 0.944 6.185 ( 0.842 -1.037 1.683) 2.149 6.277 ( -1.135 1.058 -0.721) 1.711 6.400 ( 0.142 0.473 -0.983) 1.100 6.803 ( -1.758 1.956 0.120) 2.633 6.865 ( 1.402 1.580 0.015) 2.112 8.760 ( -0.395 -0.481 0.785) 1.002 8.780 ( 1.346 -1.748 -1.156) 2.490 8.951 ( 0.199 -1.756 0.579) 1.860 9.091 ( 1.284 -0.120 1.344) 1.863 9.234 ( -1.634 2.816 -4.590) 5.628 9.587 ( -1.112 -6.172 13.743) 15.106 9.659 ( -1.159 -6.484 0.720) 6.626 9.697 ( 1.865 -3.496 6.149) 7.315 10.005 ( -0.975 -5.861 -9.354) 11.082 10.194 ( -2.486 2.671 -8.030) 8.820 10.751 ( -3.533 0.785 10.914) 11.499 10.993 ( -6.357 -5.240 -5.053) 9.664 11.321 ( 8.558 -0.072 -0.366) 8.566 11.470 ( -4.591 -2.829 4.961) 7.327 11.584 ( -0.034 -1.888 2.146) 2.858 11.753 ( -0.653 3.840 -0.486) 3.925 11.845 ( 0.656 1.066 -5.981) 6.111 12.105 ( 1.238 5.691 1.368) 5.982 12.144 ( 3.971 2.020 -1.888) 4.838 12.560 ( -0.333 2.052 4.041) 4.544 12.743 ( 2.713 7.917 3.139) 8.938 13.390 ( 0.186 2.282 1.318) 2.642 16.257 ( 0.036 1.736 2.479) 3.027 16.382 ( -0.013 0.212 -3.063) 3.071 16.797 ( 3.207 1.032 1.289) 3.607 17.343 ( 3.203 -3.932 -2.202) 5.529 17.445 ( -3.048 4.439 0.082) 5.385 17.622 ( 4.470 3.733 -0.308) 5.832 19.034 ( -4.286 -6.916 -5.390) 9.760 19.739 ( -7.284 -14.735 0.980) 16.466 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 3.125 7.818 8.533) 11.987 2.375 ( 8.012 14.875 7.828) 18.621 2.436 ( 6.736 9.585 -4.524) 12.558 2.584 ( 3.992 5.440 -4.883) 8.329 2.669 ( 6.605 7.024 3.883) 10.394 2.760 ( 8.112 14.991 -3.875) 17.480 2.903 ( -0.121 1.336 -1.848) 2.284 2.942 ( 3.315 6.985 4.006) 8.708 3.282 ( -1.124 -1.711 1.555) 2.571 3.323 ( 0.144 2.825 3.893) 4.812 3.337 ( 5.159 2.195 2.889) 6.307 3.520 ( 2.057 4.439 -2.497) 5.493 3.639 ( 1.502 2.045 0.872) 2.683 3.842 ( -0.963 2.782 -4.820) 5.648 4.052 ( 1.180 -3.135 1.276) 3.585 4.120 ( -1.214 -2.351 -3.633) 4.494 4.130 ( -0.520 0.748 -1.103) 1.430 4.181 ( -2.003 -2.393 -2.486) 3.989 4.234 ( -1.037 -1.784 -0.264) 2.080 4.354 ( 0.670 -0.838 -1.322) 1.703 4.444 ( -0.467 1.017 0.520) 1.234 4.548 ( -1.215 -2.047 -0.140) 2.384 4.757 ( -3.973 -6.869 3.768) 8.784 5.137 ( -6.271 -8.966 -5.005) 12.032 5.939 ( 0.730 0.358 -0.242) 0.849 6.203 ( 1.281 -0.578 1.715) 2.217 6.259 ( -1.406 0.870 -1.204) 2.045 6.405 ( 0.163 0.356 -0.533) 0.661 6.795 ( -1.113 1.399 0.498) 1.856 6.898 ( 0.372 1.052 1.306) 1.717 8.746 ( -0.863 -0.660 0.711) 1.298 8.786 ( 1.330 -1.086 -1.710) 2.423 8.939 ( 0.098 -1.473 0.211) 1.491 9.128 ( 2.116 -0.492 2.356) 3.205 9.202 ( -2.862 1.869 -3.208) 4.688 9.514 ( -2.613 -4.818 1.972) 5.825 9.627 ( 1.501 -4.059 5.957) 7.364 9.709 ( -0.117 -1.935 2.729) 3.347 9.900 ( 0.032 -5.617 -7.853) 9.655 10.150 ( -2.661 3.705 -5.461) 7.115 10.727 ( -3.567 -0.200 8.618) 9.329 10.849 ( -3.053 -3.999 -1.658) 5.298 11.371 ( -1.863 -3.593 1.594) 4.350 11.454 ( 1.311 2.218 -2.296) 3.451 11.594 ( 3.672 -1.180 6.364) 7.442 11.787 ( -1.610 5.576 -1.136) 5.914 11.851 ( 1.261 2.500 -6.488) 7.067 12.195 ( 1.575 4.636 2.481) 5.489 12.232 ( 2.911 4.015 -3.231) 5.919 12.580 ( -0.298 -0.742 7.924) 7.964 12.842 ( 2.376 1.940 -2.679) 4.073 13.425 ( 0.743 1.396 1.571) 2.229 16.283 ( 0.442 1.232 1.335) 1.870 16.379 ( 0.158 0.532 -1.537) 1.634 16.878 ( 2.688 3.511 -0.268) 4.430 17.320 ( -0.038 -4.911 0.588) 4.947 17.443 ( 0.223 1.587 -2.620) 3.071 17.767 ( 5.685 5.645 -0.114) 8.013 18.846 ( -6.012 -7.968 -3.116) 10.457 19.459 ( -8.653 -11.280 1.697) 14.317 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 2.563 2.975 2.728) 4.782 2.502 ( -0.284 1.627 -0.192) 1.663 2.682 ( 4.585 10.139 -0.634) 11.145 2.754 ( 5.789 7.369 -1.665) 9.517 2.840 ( 5.202 4.624 5.588) 8.925 2.883 ( -2.662 1.988 -2.735) 4.304 2.992 ( 0.357 5.168 0.953) 5.267 3.063 ( 5.640 8.886 -1.295) 10.604 3.229 ( -1.187 -0.739 -2.074) 2.501 3.331 ( -0.035 -0.172 -0.051) 0.183 3.509 ( 5.228 4.548 0.311) 6.937 3.613 ( 1.814 4.570 1.795) 5.235 3.688 ( 0.614 2.634 2.973) 4.019 3.851 ( 0.549 1.579 -1.546) 2.277 4.016 ( -0.587 -3.091 -1.505) 3.488 4.059 ( -2.049 -0.690 -0.999) 2.382 4.129 ( -2.438 0.272 -0.038) 2.453 4.152 ( 1.802 -0.881 -0.867) 2.185 4.219 ( 3.331 -2.756 -1.267) 4.505 4.328 ( -2.926 2.132 -0.609) 3.671 4.471 ( 1.049 -1.259 1.585) 2.280 4.510 ( 1.354 -2.458 -0.025) 2.806 4.618 ( -4.075 -7.561 1.678) 8.752 4.915 ( -5.872 -7.864 -2.054) 10.027 5.953 ( 0.448 0.647 -0.922) 1.213 6.217 ( -0.541 0.531 -0.434) 0.873 6.250 ( 0.471 -0.065 0.916) 1.032 6.409 ( 0.204 0.008 -0.206) 0.290 6.797 ( -0.277 0.674 1.340) 1.525 6.907 ( -0.612 -0.136 2.007) 2.102 8.726 ( -0.678 -0.502 0.065) 0.846 8.789 ( 0.641 -0.275 -1.988) 2.107 8.926 ( -0.502 -0.546 0.070) 0.746 9.141 ( -2.109 0.359 -1.585) 2.663 9.179 ( 1.380 -0.911 2.871) 3.313 9.449 ( -0.954 -1.750 -0.686) 2.107 9.614 ( -1.340 -2.923 -0.644) 3.280 9.689 ( 0.315 -1.573 2.722) 3.160 9.844 ( 0.263 0.072 -9.470) 9.474 10.161 ( 1.572 2.180 1.007) 2.870 10.681 ( -1.738 -4.329 5.068) 6.888 10.784 ( -1.013 -2.935 4.374) 5.364 11.302 ( -3.105 -1.977 -0.429) 3.706 11.450 ( 1.035 -2.731 -0.044) 2.921 11.705 ( 2.385 4.544 -2.021) 5.516 11.807 ( -1.109 6.614 0.429) 6.720 11.895 ( 0.633 4.431 -2.050) 4.923 12.256 ( -0.974 3.269 3.266) 4.722 12.289 ( 0.890 1.847 -1.374) 2.468 12.605 ( 0.210 0.555 7.321) 7.345 12.853 ( 2.621 -4.425 -5.952) 7.866 13.448 ( 0.600 -0.436 1.056) 1.290 16.306 ( 0.674 0.561 0.263) 0.915 16.384 ( 0.161 0.282 0.046) 0.328 16.956 ( 0.642 6.255 -0.733) 6.331 17.250 ( -4.978 0.646 -1.573) 5.260 17.472 ( 5.511 -4.696 -1.118) 7.327 17.912 ( 1.807 8.794 -3.005) 9.467 18.663 ( -2.263 -10.057 0.520) 10.321 19.244 ( -4.863 -7.629 2.793) 9.468 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.619 1.437 2.447) 3.267 2.462 ( -4.049 -0.824 -4.753) 6.299 2.715 ( -9.387 3.426 0.617) 10.012 2.797 ( -4.278 -1.182 7.981) 9.132 2.826 ( -1.520 1.364 -3.128) 3.735 2.982 ( -1.661 6.763 0.048) 6.964 3.054 ( 2.311 3.044 2.342) 4.482 3.184 ( 2.083 0.589 -3.512) 4.125 3.231 ( -1.042 2.873 3.445) 4.605 3.342 ( 2.328 1.831 -5.560) 6.300 3.564 ( -3.892 3.087 -4.691) 6.833 3.628 ( -3.842 3.326 1.254) 5.234 3.732 ( -0.337 -0.810 1.015) 1.342 3.878 ( 1.944 -0.106 2.603) 3.251 3.970 ( -1.108 -1.987 -0.971) 2.474 4.038 ( 0.401 0.886 -0.604) 1.145 4.100 ( -0.060 0.316 1.588) 1.620 4.189 ( 1.811 -0.454 -2.222) 2.902 4.251 ( 3.973 -2.571 2.455) 5.331 4.333 ( -0.096 2.577 2.071) 3.307 4.429 ( -0.789 -4.444 -1.232) 4.678 4.499 ( -0.816 -4.003 0.511) 4.117 4.556 ( 3.387 -3.076 -0.044) 4.576 4.836 ( 4.870 -0.079 -2.309) 5.391 5.961 ( -0.062 1.024 -1.260) 1.624 6.200 ( -1.423 0.914 -1.157) 2.049 6.266 ( 0.782 -0.737 1.953) 2.229 6.413 ( 0.467 -0.148 -0.158) 0.514 6.809 ( 0.500 0.065 2.207) 2.264 6.887 ( -1.320 -1.644 1.770) 2.753 8.717 ( 0.097 -0.036 -0.032) 0.108 8.790 ( 0.199 0.497 -2.283) 2.345 8.910 ( -1.204 0.374 -0.125) 1.266 9.102 ( -1.573 0.279 -0.000) 1.597 9.212 ( 2.311 -1.858 3.219) 4.376 9.431 ( -0.257 0.593 -2.232) 2.323 9.550 ( -1.502 -1.466 -1.982) 2.887 9.688 ( -0.902 0.034 0.723) 1.156 9.854 ( 2.848 3.979 -10.044) 11.173 10.240 ( 3.674 1.038 4.079) 5.587 10.614 ( -1.171 -7.449 5.602) 9.393 10.770 ( 1.465 -4.331 4.463) 6.389 11.224 ( -3.364 -0.606 0.108) 3.420 11.459 ( 3.314 -3.332 0.498) 4.726 11.711 ( -4.841 7.068 -7.310) 11.262 11.906 ( 1.105 7.587 3.031) 8.245 11.929 ( -0.941 3.091 -0.723) 3.311 12.240 ( -4.499 0.545 5.761) 7.330 12.299 ( 0.832 -2.589 1.600) 3.155 12.622 ( -2.470 2.696 -3.017) 4.741 12.838 ( 3.824 -5.613 -0.610) 6.819 13.442 ( -0.104 -2.076 0.554) 2.151 16.315 ( -0.183 -0.068 -0.293) 0.352 16.392 ( 0.441 -0.127 0.819) 0.939 17.018 ( -3.340 8.604 1.151) 9.302 17.165 ( -2.610 0.477 -4.175) 4.947 17.525 ( 6.142 -5.018 -1.502) 8.072 17.947 ( -7.422 9.553 -4.092) 12.770 18.619 ( 8.331 -8.506 1.690) 12.025 19.160 ( 1.481 -5.056 3.549) 6.352 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 14.311 14.559) 20.415 2.130 ( 0.000 18.282 9.743) 20.716 2.324 ( -0.000 8.752 -8.959) 12.524 2.433 ( -0.000 8.001 -9.712) 12.583 2.511 ( 0.000 12.702 1.684) 12.813 2.677 ( 0.000 12.684 1.183) 12.739 2.871 ( -0.000 -1.363 -2.256) 2.636 2.881 ( 0.000 10.919 11.677) 15.987 3.191 ( 0.000 1.031 3.469) 3.619 3.306 ( 0.000 1.079 2.688) 2.896 3.372 ( 0.000 2.081 0.733) 2.206 3.493 ( -0.000 1.432 -1.814) 2.311 3.573 ( -0.000 2.083 -2.251) 3.067 3.883 ( -0.000 3.916 -9.206) 10.004 4.003 ( 0.000 -0.920 3.091) 3.225 4.107 ( 0.000 -3.149 1.033) 3.314 4.215 ( -0.000 -2.723 -2.351) 3.598 4.236 ( -0.000 -0.118 -0.428) 0.444 4.243 ( -0.000 -1.632 -3.379) 3.752 4.285 ( 0.000 -5.035 0.192) 5.039 4.480 ( -0.000 2.824 0.115) 2.827 4.585 ( -0.000 -0.731 -0.046) 0.732 4.847 ( 0.000 -5.537 2.125) 5.931 5.249 ( -0.000 -8.279 -7.554) 11.207 5.921 ( 0.000 -0.024 0.643) 0.643 6.173 ( 0.000 -0.865 1.734) 1.937 6.294 ( -0.000 0.891 -1.299) 1.576 6.401 ( -0.000 0.566 -0.778) 0.962 6.835 ( -0.000 0.982 -2.828) 2.993 6.872 ( 0.000 2.778 1.473) 3.144 8.744 ( -0.000 -1.158 -0.564) 1.288 8.764 ( 0.000 -1.180 1.696) 2.066 8.935 ( 0.000 -1.601 1.066) 1.923 9.086 ( 0.000 0.193 1.620) 1.632 9.262 ( -0.000 2.763 -4.700) 5.452 9.572 ( 0.000 -6.715 6.027) 9.022 9.624 ( 0.000 -5.811 9.195) 10.877 9.649 ( 0.000 -4.163 5.629) 7.002 9.920 ( -0.000 -5.544 -9.582) 11.070 10.214 ( -0.000 2.686 -7.307) 7.785 10.843 ( 0.000 3.075 7.897) 8.474 11.033 ( -0.000 -2.486 -11.401) 11.669 11.191 ( 0.000 -0.962 5.432) 5.517 11.497 ( 0.000 -5.168 7.380) 9.010 11.594 ( -0.000 1.469 -0.800) 1.673 11.748 ( -0.000 -0.029 -4.587) 4.587 11.820 ( -0.000 0.107 -5.270) 5.271 12.098 ( 0.000 -0.121 2.364) 2.367 12.176 ( -0.000 7.480 -1.049) 7.553 12.614 ( 0.000 3.653 2.924) 4.679 12.823 ( 0.000 7.387 3.287) 8.085 13.418 ( 0.000 2.498 0.746) 2.607 16.283 ( 0.000 1.572 1.495) 2.169 16.380 ( -0.000 1.064 -2.194) 2.438 16.771 ( 0.000 0.187 1.924) 1.933 17.260 ( -0.000 -5.747 -0.811) 5.804 17.553 ( 0.000 5.820 3.922) 7.018 17.587 ( -0.000 1.866 -1.645) 2.487 18.990 ( -0.000 -6.091 -4.556) 7.606 19.653 ( -0.000 -13.824 -1.344) 13.889 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -2.009 6.679 5.027) 8.597 2.399 ( 5.027 11.339 2.754) 12.705 2.447 ( 5.293 13.131 2.553) 14.386 2.513 ( 5.494 3.260 -5.311) 8.308 2.697 ( 2.916 10.154 4.438) 11.458 2.810 ( 2.021 13.014 -0.992) 13.207 2.891 ( 2.347 2.948 -3.137) 4.903 2.984 ( 0.683 4.297 -0.282) 4.360 3.224 ( 2.144 -2.582 2.553) 4.216 3.322 ( 0.367 0.097 1.338) 1.391 3.398 ( -0.904 3.707 4.627) 5.997 3.546 ( 1.395 7.771 0.566) 7.915 3.613 ( 2.640 0.639 -0.100) 2.718 3.872 ( -1.346 3.180 -7.410) 8.175 4.017 ( 0.892 -1.256 1.527) 2.169 4.079 ( -0.063 -2.443 0.555) 2.506 4.158 ( -1.629 -2.144 -1.972) 3.337 4.190 ( -1.514 -1.575 -1.374) 2.581 4.239 ( -0.701 0.379 -0.093) 0.802 4.284 ( 2.855 -2.069 0.048) 3.527 4.498 ( -1.496 3.350 -0.689) 3.733 4.561 ( -1.772 -0.913 -0.108) 1.996 4.762 ( -3.095 -7.326 2.437) 8.318 5.098 ( -2.924 -11.083 -4.607) 12.353 5.928 ( 0.630 -0.031 0.540) 0.830 6.181 ( 0.996 -0.640 1.755) 2.117 6.287 ( -1.094 0.863 -1.789) 2.267 6.406 ( 0.071 0.491 -0.405) 0.641 6.824 ( -0.928 1.011 -2.342) 2.714 6.907 ( 0.445 1.622 0.487) 1.751 8.740 ( 0.549 -1.391 -0.582) 1.605 8.760 ( 0.215 -0.597 1.997) 2.095 8.926 ( 0.115 -1.219 1.149) 1.679 9.103 ( 1.029 -0.228 1.698) 1.999 9.253 ( -1.870 1.982 -4.218) 5.021 9.503 ( -1.444 -5.021 0.364) 5.237 9.598 ( -0.217 -4.394 8.837) 9.872 9.675 ( 3.563 -3.453 8.128) 9.522 9.824 ( -1.589 -4.042 -7.550) 8.710 10.206 ( -1.451 3.383 -6.442) 7.419 10.843 ( -6.154 0.172 3.920) 7.298 10.892 ( -5.023 0.455 -6.152) 7.955 11.294 ( 5.944 -2.456 -0.357) 6.441 11.462 ( 0.301 -1.439 4.942) 5.156 11.581 ( -1.853 -0.749 4.309) 4.749 11.780 ( 4.550 1.051 -6.382) 7.908 11.822 ( 1.403 1.828 -3.950) 4.573 12.158 ( 5.196 0.988 1.380) 5.466 12.248 ( 0.444 5.737 -1.029) 5.845 12.632 ( -2.359 1.389 3.770) 4.659 12.877 ( -1.833 4.064 0.208) 4.463 13.443 ( -0.205 1.867 0.859) 2.066 16.297 ( -0.192 1.094 0.516) 1.225 16.384 ( -0.205 1.251 -1.227) 1.764 16.829 ( 4.847 1.203 1.044) 5.102 17.218 ( 2.037 -6.086 1.449) 6.580 17.538 ( -4.470 3.694 -0.019) 5.799 17.701 ( 6.267 2.852 2.786) 7.428 18.871 ( -5.134 -5.434 -3.399) 8.212 19.469 ( -5.110 -10.695 -1.971) 12.016 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.093 3.769 0.063) 3.771 2.493 ( 1.028 -0.776 0.834) 1.534 2.682 ( 7.305 7.166 -1.351) 10.322 2.728 ( 6.375 10.604 3.448) 12.844 2.813 ( 4.124 3.208 5.129) 7.321 2.932 ( -0.547 4.308 -5.274) 6.832 3.020 ( 1.560 1.248 -3.252) 3.817 3.049 ( 6.459 11.804 0.152) 13.456 3.215 ( 0.114 -2.375 0.022) 2.378 3.326 ( -0.132 -1.044 0.706) 1.267 3.482 ( 3.797 4.262 4.581) 7.320 3.645 ( 1.195 4.820 -3.216) 5.917 3.682 ( 2.995 1.842 4.752) 5.911 3.863 ( -0.613 2.382 -3.872) 4.587 4.001 ( -0.940 -2.029 1.082) 2.484 4.058 ( 0.201 -2.211 -0.706) 2.329 4.128 ( 0.426 -0.878 -0.124) 0.984 4.155 ( -0.755 0.249 -1.473) 1.674 4.212 ( -3.814 1.656 -0.024) 4.158 4.327 ( 3.250 -0.787 -0.193) 3.349 4.487 ( -2.095 0.660 -1.483) 2.650 4.506 ( -3.201 0.055 0.561) 3.250 4.618 ( -4.234 -7.996 1.665) 9.200 4.910 ( -4.142 -9.422 -1.186) 10.361 5.945 ( 0.829 0.359 0.393) 0.985 6.204 ( 1.496 -0.530 1.512) 2.192 6.266 ( -1.343 0.897 -1.746) 2.378 6.408 ( -0.086 0.168 -0.089) 0.209 6.812 ( -0.592 0.644 -1.320) 1.583 6.918 ( -0.304 -0.126 0.056) 0.334 8.728 ( -0.127 -0.944 -0.197) 0.973 8.772 ( 0.585 -0.087 1.077) 1.229 8.922 ( 0.266 -0.700 0.599) 0.959 9.125 ( 1.542 -1.146 1.326) 2.334 9.212 ( -2.897 1.212 -2.993) 4.338 9.443 ( -0.820 -2.221 0.125) 2.371 9.586 ( 0.518 -3.509 4.228) 5.518 9.718 ( -3.322 0.563 0.564) 3.416 9.765 ( 4.937 -3.190 1.603) 6.092 10.193 ( -1.628 3.849 -4.425) 6.087 10.712 ( -5.235 -3.249 -0.461) 6.178 10.817 ( -3.759 -0.333 -1.276) 3.983 11.296 ( 0.316 -3.984 0.545) 4.034 11.457 ( -3.098 -0.055 -1.253) 3.343 11.651 ( 7.056 1.263 6.529) 9.695 11.848 ( 2.511 3.891 -5.931) 7.525 11.887 ( 3.647 2.949 -0.373) 4.705 12.278 ( 3.830 2.238 -0.955) 4.537 12.289 ( 0.238 2.474 -1.237) 2.776 12.613 ( -0.163 -1.324 6.307) 6.446 12.836 ( -4.482 0.390 -3.200) 5.520 13.450 ( -0.604 0.284 0.551) 0.865 16.306 ( 0.092 0.632 0.216) 0.674 16.388 ( -0.134 0.687 -0.589) 0.915 16.954 ( 5.283 3.991 -0.400) 6.634 17.227 ( 4.887 -5.046 2.547) 7.472 17.468 ( -6.853 2.058 -0.429) 7.168 17.882 ( 8.884 4.522 2.167) 10.201 18.677 ( -8.635 -5.984 -1.948) 10.685 19.267 ( -5.825 -7.182 -1.248) 9.331 ======================= Grid point 265 (94/116) ======================= q-point: ( 0.80 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 1.506 2.609 -0.000) 3.013 2.480 ( -0.913 -1.581 -0.000) 1.825 2.800 ( 0.045 0.078 0.000) 0.090 2.832 ( 0.658 1.139 -0.000) 1.316 2.926 ( 1.212 2.099 0.000) 2.423 2.997 ( 1.018 1.763 -0.000) 2.036 3.057 ( 3.468 6.006 -0.000) 6.935 3.149 ( -0.314 -0.544 -0.000) 0.628 3.285 ( 3.564 6.172 -0.000) 7.127 3.302 ( -0.838 -1.451 0.000) 1.676 3.616 ( 3.037 5.260 -0.000) 6.074 3.679 ( 0.171 0.296 0.000) 0.342 3.740 ( 0.426 0.738 0.000) 0.852 3.862 ( 0.118 0.205 -0.000) 0.237 3.973 ( -0.509 -0.882 -0.000) 1.018 4.039 ( -0.296 -0.512 -0.000) 0.591 4.138 ( -0.909 -1.574 -0.000) 1.817 4.143 ( -1.279 -2.216 0.000) 2.558 4.164 ( 1.328 2.300 -0.000) 2.656 4.365 ( 0.698 1.208 -0.000) 1.395 4.423 ( -1.622 -2.810 -0.000) 3.244 4.482 ( -0.182 -0.315 -0.000) 0.364 4.492 ( -2.512 -4.351 0.000) 5.024 4.792 ( -1.194 -2.068 -0.000) 2.388 5.965 ( 0.492 0.852 -0.000) 0.984 6.223 ( 0.077 0.133 -0.000) 0.153 6.252 ( -0.039 -0.067 -0.000) 0.077 6.407 ( 0.004 0.006 -0.000) 0.007 6.809 ( 0.101 0.175 -0.000) 0.202 6.894 ( -1.131 -1.959 0.000) 2.262 8.718 ( -0.161 -0.279 -0.000) 0.322 8.784 ( 0.376 0.651 -0.000) 0.752 8.924 ( 0.018 0.032 -0.000) 0.037 9.137 ( -0.226 -0.392 0.000) 0.453 9.167 ( -0.606 -1.050 -0.000) 1.212 9.432 ( 0.333 0.577 -0.000) 0.666 9.564 ( -0.959 -1.662 -0.000) 1.919 9.669 ( -0.610 -1.056 0.000) 1.220 9.853 ( 2.546 4.411 0.000) 5.093 10.212 ( 1.418 2.456 0.000) 2.836 10.593 ( -3.188 -5.521 -0.000) 6.376 10.742 ( -2.032 -3.519 -0.000) 4.063 11.261 ( -0.918 -1.589 0.000) 1.835 11.404 ( -0.719 -1.246 -0.000) 1.439 11.798 ( 2.747 4.758 -0.000) 5.494 11.917 ( 2.209 3.827 -0.000) 4.419 11.975 ( 1.932 3.346 -0.000) 3.863 12.256 ( -1.855 -3.213 -0.000) 3.710 12.314 ( -0.761 -1.319 -0.000) 1.523 12.697 ( 3.376 5.847 0.000) 6.752 12.719 ( -3.023 -5.235 -0.000) 6.045 13.432 ( -0.778 -1.348 -0.000) 1.556 16.315 ( 0.184 0.319 -0.000) 0.368 16.389 ( -0.039 -0.067 -0.000) 0.078 17.073 ( 2.842 4.922 -0.000) 5.684 17.309 ( 2.126 3.683 -0.000) 4.252 17.337 ( -3.283 -5.687 -0.000) 6.567 18.110 ( 6.103 10.571 -0.000) 12.207 18.449 ( -5.775 -10.003 -0.000) 11.551 19.127 ( -2.544 -4.406 -0.000) 5.088 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -0.000 3.212 -2.850) 4.294 2.449 ( -0.000 1.435 -5.278) 5.470 2.511 ( 0.000 12.939 4.798) 13.800 2.525 ( 0.000 7.761 8.499) 11.510 2.778 ( 0.000 3.572 6.990) 7.849 2.877 ( -0.000 7.572 -5.557) 9.392 2.929 ( -0.000 9.983 -0.694) 10.007 2.980 ( -0.000 -0.580 -5.168) 5.200 3.200 ( 0.000 -0.947 2.744) 2.903 3.320 ( 0.000 -0.274 0.496) 0.567 3.444 ( 0.000 0.815 4.817) 4.886 3.583 ( -0.000 -0.393 -1.299) 1.357 3.633 ( 0.000 9.084 2.530) 9.430 3.891 ( -0.000 3.325 -8.221) 8.868 4.005 ( 0.000 -0.315 1.354) 1.390 4.076 ( 0.000 -1.566 3.386) 3.730 4.129 ( -0.000 -3.780 -1.631) 4.117 4.195 ( 0.000 0.078 0.268) 0.279 4.202 ( 0.000 -2.995 0.053) 2.995 4.299 ( -0.000 4.679 -0.326) 4.691 4.548 ( -0.000 4.697 -1.803) 5.031 4.574 ( -0.000 -0.166 -0.161) 0.231 4.718 ( 0.000 -8.405 1.391) 8.520 4.990 ( -0.000 -11.458 -2.454) 11.718 5.924 ( 0.000 -0.079 1.174) 1.176 6.171 ( 0.000 -0.590 1.608) 1.713 6.297 ( -0.000 0.614 -2.125) 2.212 6.410 ( -0.000 0.602 -0.186) 0.630 6.830 ( -0.000 0.849 -3.770) 3.864 6.917 ( -0.000 0.993 -0.850) 1.308 8.724 ( 0.000 -0.548 0.182) 0.578 8.756 ( 0.000 -1.070 2.655) 2.862 8.918 ( 0.000 -1.202 1.501) 1.922 9.097 ( 0.000 -0.311 0.905) 0.957 9.272 ( -0.000 1.427 -4.288) 4.519 9.471 ( 0.000 -3.665 -0.036) 3.665 9.604 ( 0.000 -3.640 5.058) 6.231 9.604 ( 0.000 -5.113 10.918) 12.056 9.810 ( -0.000 0.462 -2.304) 2.350 10.226 ( -0.000 3.079 -6.025) 6.766 10.913 ( -0.000 -1.930 -6.371) 6.657 10.941 ( -0.000 2.894 -7.193) 7.753 11.204 ( 0.000 -1.492 4.809) 5.035 11.444 ( 0.000 -4.090 7.262) 8.335 11.624 ( -0.000 1.613 -0.524) 1.696 11.740 ( -0.000 1.847 -0.217) 1.860 11.778 ( -0.000 -0.044 -6.018) 6.018 12.115 ( 0.000 -0.129 2.978) 2.981 12.290 ( -0.000 4.218 -2.921) 5.131 12.678 ( -0.000 1.051 -1.039) 1.478 12.942 ( 0.000 2.775 2.134) 3.501 13.468 ( 0.000 1.639 0.695) 1.780 16.311 ( -0.000 0.936 -0.129) 0.945 16.397 ( -0.000 1.169 -1.086) 1.596 16.785 ( 0.000 -0.174 1.822) 1.831 17.158 ( 0.000 -4.067 3.118) 5.125 17.609 ( -0.000 1.395 -1.636) 2.149 17.680 ( 0.000 2.469 7.346) 7.750 18.865 ( -0.000 -3.145 -3.101) 4.417 19.408 ( -0.000 -7.562 -4.275) 8.687 ======================= Grid point 275 (96/116) ======================= q-point: ( 0.70 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -1.224 2.903 -3.300) 4.563 2.460 ( 1.707 -1.717 -0.838) 2.562 2.623 ( 4.278 1.458 4.880) 6.651 2.713 ( 6.227 6.219 4.746) 9.999 2.801 ( 0.811 -1.104 3.853) 4.089 2.928 ( 0.459 -0.663 -9.456) 9.490 2.985 ( 2.842 5.530 -3.196) 6.991 3.066 ( 3.853 8.785 0.375) 9.600 3.205 ( -0.061 -0.133 2.178) 2.183 3.323 ( -0.006 -0.169 1.476) 1.486 3.482 ( 1.762 0.962 6.205) 6.522 3.591 ( 2.668 -2.168 -1.643) 3.810 3.717 ( 0.292 4.755 -0.064) 4.764 3.887 ( -0.859 2.472 -4.903) 5.558 4.013 ( -0.378 0.183 1.242) 1.311 4.033 ( -1.476 -2.924 0.957) 3.413 4.103 ( 0.506 -1.432 -1.141) 1.899 4.193 ( -1.482 1.389 1.483) 2.515 4.223 ( 3.833 -1.140 0.691) 4.058 4.330 ( -2.220 5.154 -1.384) 5.780 4.532 ( -3.525 -0.776 -1.396) 3.870 4.573 ( -1.809 -0.308 -1.473) 2.353 4.618 ( -2.867 -3.066 1.023) 4.320 4.873 ( -1.589 -6.349 1.035) 6.627 5.936 ( 0.732 0.184 1.507) 1.685 6.180 ( 1.004 -0.663 1.411) 1.855 6.287 ( -0.803 0.533 -2.292) 2.487 6.414 ( -0.182 0.438 0.073) 0.480 6.820 ( -0.434 0.734 -3.458) 3.561 6.915 ( -0.131 -0.495 -1.932) 1.999 8.720 ( -0.124 -0.356 0.268) 0.463 8.767 ( 0.805 -0.244 2.925) 3.044 8.910 ( 0.147 -1.256 0.795) 1.494 9.098 ( 0.574 -0.854 0.312) 1.076 9.254 ( -1.720 1.261 -3.984) 4.519 9.435 ( -0.550 -1.984 1.102) 2.336 9.573 ( -0.627 -2.847 5.141) 5.910 9.647 ( 4.805 -3.787 5.043) 7.928 9.804 ( -2.748 3.268 3.906) 5.787 10.234 ( -0.493 3.393 -5.177) 6.209 10.784 ( -6.487 -2.496 -6.758) 9.694 10.884 ( -4.724 0.379 -7.487) 8.861 11.234 ( 2.050 -3.236 1.383) 4.073 11.485 ( 2.923 0.170 5.576) 6.298 11.604 ( -1.759 -0.734 4.865) 5.225 11.768 ( 5.209 2.772 -5.925) 8.362 11.849 ( 4.223 2.048 -0.461) 4.716 12.181 ( 5.567 -0.013 1.202) 5.695 12.310 ( 0.236 1.485 -3.178) 3.515 12.642 ( -2.567 -1.007 -2.393) 3.651 12.931 ( -4.174 0.655 2.346) 4.833 13.473 ( -1.036 0.457 0.305) 1.173 16.315 ( -0.282 0.472 0.108) 0.560 16.397 ( -0.389 0.619 -1.213) 1.417 16.856 ( 6.886 0.503 0.860) 6.958 17.148 ( 0.791 -2.327 4.394) 5.035 17.597 ( -3.308 2.206 -0.154) 3.979 17.769 ( 5.919 0.140 6.712) 8.950 18.778 ( -6.118 -0.936 -2.678) 6.744 19.291 ( -4.311 -3.900 -4.646) 7.442 ======================= Grid point 287 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.000 1.631 -2.551) 3.028 2.401 ( -0.000 -3.135 -4.422) 5.420 2.552 ( 0.000 -12.275 5.817) 13.584 2.727 ( 0.000 3.171 5.028) 5.945 2.781 ( 0.000 -2.248 1.770) 2.861 2.875 ( -0.000 -2.264 -7.190) 7.538 3.005 ( -0.000 3.044 -0.405) 3.070 3.097 ( -0.000 5.661 -2.545) 6.207 3.220 ( 0.000 0.978 2.368) 2.562 3.337 ( 0.000 1.084 2.646) 2.859 3.483 ( 0.000 -2.015 7.316) 7.588 3.532 ( -0.000 -2.195 -4.162) 4.706 3.735 ( 0.000 -1.376 0.592) 1.498 3.905 ( -0.000 3.179 -5.045) 5.964 4.013 ( 0.000 0.029 0.167) 0.170 4.064 ( 0.000 -1.778 2.613) 3.161 4.068 ( -0.000 -0.072 -1.444) 1.445 4.165 ( 0.000 -0.408 0.105) 0.422 4.241 ( 0.000 2.942 2.640) 3.953 4.395 ( -0.000 4.323 -3.280) 5.427 4.515 ( 0.000 -8.250 0.291) 8.255 4.575 ( -0.000 0.338 -0.064) 0.345 4.659 ( -0.000 1.969 -2.003) 2.809 4.883 ( 0.000 5.629 3.217) 6.483 5.938 ( 0.000 0.101 2.085) 2.087 6.168 ( 0.000 -0.733 1.238) 1.438 6.288 ( -0.000 0.134 -2.658) 2.661 6.422 ( 0.000 0.472 0.300) 0.560 6.816 ( -0.000 0.774 -4.444) 4.511 6.899 ( -0.000 -1.115 -2.995) 3.196 8.727 ( 0.000 0.372 0.792) 0.875 8.766 ( 0.000 0.032 3.479) 3.479 8.897 ( 0.000 -1.520 0.561) 1.620 9.086 ( -0.000 -0.604 -0.204) 0.637 9.268 ( -0.000 1.182 -4.013) 4.184 9.431 ( 0.000 -1.346 2.597) 2.925 9.577 ( 0.000 -2.515 5.005) 5.602 9.580 ( 0.000 -2.301 4.879) 5.394 9.895 ( 0.000 5.037 6.788) 8.453 10.249 ( -0.000 3.037 -5.122) 5.955 10.782 ( -0.000 -4.363 -10.771) 11.621 10.904 ( -0.000 1.332 -12.636) 12.706 11.199 ( 0.000 -2.258 4.416) 4.960 11.471 ( 0.000 -0.417 11.870) 11.877 11.640 ( -0.000 -0.058 -0.267) 0.273 11.744 ( -0.000 1.530 -6.360) 6.541 11.804 ( 0.000 2.653 2.183) 3.435 12.135 ( 0.000 -0.117 3.145) 3.147 12.288 ( -0.000 -1.283 -6.225) 6.355 12.637 ( -0.000 -1.317 -7.022) 7.145 12.980 ( 0.000 -1.806 5.456) 5.747 13.486 ( -0.000 -0.367 -0.051) 0.371 16.320 ( 0.000 -0.352 0.015) 0.352 16.402 ( -0.000 0.581 -1.545) 1.651 16.789 ( 0.000 -0.723 1.747) 1.891 17.156 ( 0.000 0.864 5.336) 5.406 17.618 ( -0.000 0.596 -1.624) 1.730 17.758 ( 0.000 -1.256 10.080) 10.158 18.831 ( -0.000 2.343 -2.583) 3.488 19.295 ( -0.000 0.448 -6.263) 6.279 ======================= Grid point 344 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 -0.000 26.682) 26.682 0.914 ( 0.000 -0.000 26.682) 26.682 1.870 ( -0.000 0.000 -14.915) 14.915 1.870 ( -0.000 0.000 -14.915) 14.915 1.888 ( 0.000 -0.000 53.335) 53.335 2.238 ( 0.000 -0.000 0.472) 0.472 2.238 ( 0.000 -0.000 0.472) 0.472 3.050 ( 0.000 -0.000 9.290) 9.290 3.128 ( -0.000 0.000 -2.038) 2.038 3.128 ( -0.000 0.000 -2.038) 2.038 3.409 ( -0.000 0.000 -4.689) 4.689 3.529 ( -0.000 0.000 -9.843) 9.843 3.772 ( -0.000 0.000 -10.129) 10.129 3.859 ( -0.000 0.000 -7.971) 7.971 4.018 ( 0.000 -0.000 4.859) 4.859 4.018 ( 0.000 -0.000 4.859) 4.859 4.288 ( -0.000 0.000 -4.263) 4.263 4.288 ( -0.000 0.000 -4.263) 4.263 4.479 ( 0.000 -0.000 0.885) 0.885 4.479 ( 0.000 -0.000 0.885) 0.885 4.636 ( 0.000 -0.000 0.154) 0.154 4.636 ( 0.000 -0.000 0.154) 0.154 4.869 ( 0.000 -0.000 3.895) 3.895 5.133 ( -0.000 0.000 -13.525) 13.525 5.880 ( 0.000 -0.000 2.756) 2.756 6.222 ( 0.000 -0.000 1.551) 1.551 6.222 ( 0.000 -0.000 1.551) 1.551 6.398 ( -0.000 0.000 -1.496) 1.496 6.785 ( -0.000 0.000 -1.563) 1.563 6.785 ( -0.000 0.000 -1.563) 1.563 8.784 ( -0.000 0.000 -0.069) 0.069 8.784 ( -0.000 0.000 -0.069) 0.069 9.012 ( 0.000 -0.000 2.043) 2.043 9.143 ( -0.000 0.000 -3.757) 3.757 9.143 ( -0.000 0.000 -3.757) 3.757 9.698 ( 0.000 -0.000 11.197) 11.197 9.698 ( 0.000 -0.000 11.197) 11.197 10.071 ( -0.000 0.000 -0.513) 0.513 10.193 ( -0.000 0.000 -9.162) 9.162 10.193 ( -0.000 0.000 -9.162) 9.162 11.188 ( 0.000 -0.000 6.554) 6.554 11.188 ( 0.000 -0.000 6.554) 6.554 11.584 ( -0.000 0.000 -0.119) 0.119 11.584 ( -0.000 0.000 -0.119) 0.119 11.621 ( 0.000 -0.000 2.649) 2.649 11.778 ( -0.000 0.000 -5.152) 5.152 11.778 ( -0.000 0.000 -5.152) 5.152 11.804 ( -0.000 0.000 -1.828) 1.828 12.115 ( 0.000 -0.000 0.730) 0.730 12.115 ( 0.000 -0.000 0.730) 0.730 12.360 ( 0.000 -0.000 5.882) 5.882 13.400 ( -0.000 0.000 -5.240) 5.240 16.199 ( 0.000 -0.000 4.258) 4.258 16.481 ( -0.000 0.000 -3.953) 3.953 16.750 ( 0.000 -0.000 2.149) 2.149 16.750 ( 0.000 -0.000 2.149) 2.149 17.513 ( -0.000 0.000 -1.777) 1.777 17.513 ( -0.000 0.000 -1.777) 1.777 19.313 ( 0.000 -0.000 0.138) 0.138 20.445 ( -0.000 0.000 -0.015) 0.015 ======================= Grid point 345 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 14.081 8.129 22.297) 27.596 1.228 ( 15.762 9.100 20.892) 27.708 1.925 ( 9.448 5.455 -13.963) 17.720 1.927 ( 8.763 5.059 -15.325) 18.364 2.155 ( 6.274 3.622 45.091) 45.669 2.251 ( 2.001 1.155 1.049) 2.538 2.337 ( 6.643 3.835 0.621) 7.695 3.032 ( -2.549 -1.472 2.200) 3.675 3.128 ( 0.703 0.406 -1.702) 1.886 3.170 ( 2.167 1.251 4.375) 5.040 3.390 ( 0.630 0.364 -6.258) 6.300 3.509 ( 1.272 0.735 -8.914) 9.034 3.655 ( -5.442 -3.142 -6.622) 9.129 3.817 ( -0.721 -0.416 -5.587) 5.649 4.058 ( 1.049 0.605 4.816) 4.966 4.078 ( 3.570 2.061 2.352) 4.746 4.242 ( -1.726 -0.997 -4.114) 4.571 4.272 ( -2.213 -1.278 0.361) 2.581 4.389 ( -4.359 -2.517 1.468) 5.243 4.456 ( -2.140 -1.235 0.717) 2.573 4.530 ( -1.151 -0.664 0.189) 1.342 4.634 ( -0.467 -0.270 -0.096) 0.548 5.033 ( -3.696 -2.134 -10.241) 11.095 5.190 ( 12.813 7.398 -8.954) 17.294 5.896 ( 0.551 0.318 2.209) 2.299 6.222 ( -0.065 -0.038 1.698) 1.700 6.233 ( -0.031 -0.018 0.975) 0.976 6.393 ( 0.094 0.055 -1.433) 1.437 6.757 ( -0.826 -0.477 -0.429) 1.046 6.817 ( 1.865 1.077 -1.638) 2.706 8.773 ( -0.602 -0.348 -0.006) 0.695 8.807 ( 1.549 0.894 -0.739) 1.936 9.005 ( -0.954 -0.551 1.450) 1.821 9.110 ( -0.235 -0.136 -1.998) 2.016 9.161 ( 0.988 0.570 -4.108) 4.264 9.707 ( -2.148 -1.240 11.729) 11.988 9.743 ( 0.092 0.053 11.560) 11.561 9.978 ( -6.887 -3.976 0.011) 7.952 10.124 ( -1.609 -0.929 -8.960) 9.150 10.190 ( 0.175 0.101 -9.237) 9.239 10.941 ( -14.388 -8.307 12.851) 21.004 11.245 ( 1.651 0.953 5.123) 5.467 11.413 ( -11.241 -6.490 -3.053) 13.334 11.583 ( -0.507 -0.293 -0.533) 0.792 11.592 ( -3.459 -1.997 1.646) 4.319 11.713 ( -1.474 -0.851 -2.727) 3.215 11.766 ( -0.421 -0.243 2.900) 2.940 11.833 ( 5.837 3.370 -1.160) 6.839 12.141 ( 0.997 0.576 -0.438) 1.232 12.347 ( 12.604 7.277 1.358) 14.617 12.458 ( 4.984 2.877 1.994) 6.090 13.350 ( -1.454 -0.839 -0.661) 1.804 16.205 ( -0.171 -0.099 4.252) 4.257 16.426 ( -1.619 -0.935 -4.202) 4.599 16.774 ( 0.828 0.478 1.485) 1.766 16.999 ( 15.061 8.696 -3.601) 17.760 17.506 ( 0.338 0.195 -1.210) 1.271 17.525 ( 0.761 0.439 -2.149) 2.322 19.265 ( -3.948 -2.279 -2.698) 5.297 20.281 ( -12.548 -7.244 2.004) 14.627 ======================= Grid point 346 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 16.217 9.363 17.428) 25.581 1.711 ( 18.174 10.493 14.066) 25.263 2.148 ( 12.733 7.351 -10.929) 18.319 2.174 ( 13.972 8.067 -11.648) 19.899 2.340 ( 5.705 3.294 -0.403) 6.600 2.431 ( 7.658 4.422 11.799) 14.745 2.577 ( 10.306 5.950 18.922) 22.353 2.970 ( -2.348 -1.356 -2.787) 3.889 3.153 ( 1.899 1.096 1.366) 2.583 3.234 ( 1.442 0.832 6.154) 6.375 3.410 ( 2.409 1.391 -4.136) 4.985 3.519 ( -3.621 -2.090 -6.378) 7.626 3.524 ( 2.046 1.181 -5.109) 5.628 3.792 ( -0.045 -0.026 -4.147) 4.148 4.095 ( 0.586 0.338 2.672) 2.756 4.163 ( 2.367 1.367 1.583) 3.159 4.181 ( -2.228 -1.286 -1.941) 3.222 4.204 ( -2.281 -1.317 1.288) 2.932 4.354 ( -0.273 -0.158 -6.396) 6.404 4.385 ( -3.897 -2.250 0.456) 4.523 4.485 ( -1.872 -1.081 -2.259) 3.127 4.615 ( -1.008 -0.582 -0.374) 1.222 4.922 ( -3.681 -2.125 -0.220) 4.257 5.314 ( 0.785 0.453 -8.724) 8.771 5.918 ( 0.753 0.435 0.991) 1.318 6.228 ( -0.539 -0.311 -0.122) 0.634 6.231 ( 0.229 0.132 2.041) 2.058 6.393 ( 0.290 0.167 -1.218) 1.263 6.746 ( -0.265 -0.153 1.592) 1.621 6.855 ( 1.649 0.952 -0.939) 2.124 8.757 ( -0.718 -0.414 -0.015) 0.829 8.832 ( 0.522 0.302 -1.850) 1.946 8.990 ( -0.273 -0.158 -0.810) 0.869 9.118 ( 1.137 0.657 0.864) 1.572 9.157 ( -0.083 -0.048 -3.668) 3.670 9.695 ( -2.906 -1.678 13.577) 13.985 9.777 ( -0.602 -0.347 7.893) 7.924 9.785 ( -7.905 -4.564 -0.716) 9.156 10.064 ( -0.667 -0.385 -5.471) 5.525 10.109 ( -3.921 -2.264 -11.369) 12.237 10.765 ( -4.928 -2.845 12.843) 14.047 11.140 ( -8.940 -5.161 -5.694) 11.789 11.295 ( 1.216 0.702 1.502) 2.057 11.531 ( -2.687 -1.551 5.221) 6.074 11.560 ( -0.712 -0.411 -0.732) 1.101 11.694 ( -0.222 -0.128 1.541) 1.562 11.780 ( 0.770 0.445 -1.703) 1.922 11.978 ( 6.028 3.480 2.030) 7.251 12.156 ( 0.580 0.335 -1.584) 1.720 12.541 ( 2.852 1.646 1.367) 3.565 12.658 ( 11.218 6.477 1.411) 13.030 13.356 ( 1.481 0.855 1.736) 2.437 16.228 ( 0.887 0.512 3.372) 3.524 16.389 ( -0.306 -0.177 -3.662) 3.680 16.797 ( 0.753 0.435 0.245) 0.903 17.287 ( 8.053 4.649 -3.690) 10.004 17.520 ( 1.071 0.618 -0.123) 1.243 17.539 ( 2.616 1.510 -3.095) 4.325 19.120 ( -6.565 -3.791 -4.253) 8.693 19.935 ( -16.276 -9.397 3.328) 19.086 ======================= Grid point 347 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 11.686 6.747 13.365) 18.992 2.146 ( 14.098 8.139 9.240) 18.719 2.367 ( 7.558 4.363 -3.382) 9.359 2.437 ( 11.644 6.723 -12.495) 18.355 2.561 ( 13.283 7.669 -4.133) 15.886 2.663 ( 9.525 5.499 4.716) 11.967 2.861 ( 7.319 4.226 10.185) 13.235 2.906 ( -1.693 -0.978 -5.423) 5.765 3.220 ( 0.806 0.466 7.131) 7.191 3.281 ( 0.776 0.448 4.956) 5.036 3.446 ( 1.897 1.095 -0.753) 2.317 3.480 ( 3.382 1.953 -7.297) 8.276 3.557 ( 1.369 0.790 -0.877) 1.808 3.790 ( 1.228 0.709 -2.414) 2.800 4.075 ( -2.035 -1.175 -2.964) 3.782 4.147 ( -1.220 -0.705 3.490) 3.764 4.159 ( -0.584 -0.337 -0.257) 0.722 4.232 ( 2.741 1.582 -2.192) 3.849 4.269 ( -3.615 -2.087 -7.760) 8.811 4.284 ( -4.379 -2.528 0.251) 5.063 4.477 ( 1.119 0.646 0.427) 1.361 4.589 ( -0.937 -0.541 -0.380) 1.147 4.839 ( -4.551 -2.627 4.115) 6.674 5.201 ( -7.402 -4.274 -4.159) 9.505 5.935 ( 0.561 0.324 -0.542) 0.844 6.210 ( -0.710 -0.410 -1.104) 1.375 6.248 ( 0.526 0.304 2.421) 2.496 6.399 ( 0.523 0.302 -0.745) 0.959 6.756 ( 0.296 0.171 3.530) 3.547 6.885 ( 0.914 0.528 0.473) 1.157 8.741 ( -0.617 -0.356 -0.212) 0.744 8.818 ( -0.825 -0.477 -2.269) 2.461 8.976 ( -0.629 -0.363 -3.007) 3.094 9.134 ( -0.863 -0.498 -2.290) 2.498 9.167 ( 2.017 1.164 3.660) 4.338 9.584 ( -6.641 -3.834 2.936) 8.212 9.721 ( -0.434 -0.251 5.932) 5.953 9.749 ( -2.746 -1.586 -1.213) 3.395 9.940 ( -5.419 -3.128 -14.362) 15.665 10.076 ( 2.037 1.176 2.777) 3.639 10.748 ( -1.174 -0.678 12.542) 12.615 10.971 ( -4.501 -2.598 -1.123) 5.317 11.301 ( -0.442 -0.255 -3.369) 3.407 11.511 ( -0.327 -0.189 2.424) 2.453 11.566 ( 1.227 0.708 1.657) 2.180 11.700 ( -0.302 -0.174 4.063) 4.078 11.773 ( -0.008 -0.005 -5.273) 5.273 12.129 ( 5.536 3.196 3.623) 7.348 12.157 ( 0.151 0.087 -2.405) 2.411 12.593 ( 0.851 0.491 5.240) 5.331 12.883 ( 7.568 4.370 -3.043) 9.254 13.413 ( 2.448 1.413 1.712) 3.305 16.267 ( 1.396 0.806 2.294) 2.804 16.381 ( 0.409 0.236 -1.924) 1.981 16.809 ( 0.355 0.205 -1.052) 1.129 17.304 ( -3.015 -1.741 -4.132) 5.403 17.553 ( 1.428 0.824 1.021) 1.939 17.668 ( 7.282 4.204 -5.333) 9.957 18.952 ( -6.185 -3.571 -1.923) 7.396 19.583 ( -13.736 -7.931 4.689) 16.540 ======================= Grid point 348 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.551 2.627 5.969) 7.953 2.380 ( 3.117 1.800 6.323) 7.276 2.566 ( 10.331 5.964 -3.986) 12.577 2.641 ( 7.386 4.264 -11.873) 14.619 2.823 ( 2.485 1.435 3.030) 4.173 2.854 ( 1.861 1.075 10.666) 10.880 2.873 ( 6.119 3.533 -9.515) 11.852 2.972 ( 3.282 1.895 -1.311) 4.010 3.213 ( -0.628 -0.363 1.256) 1.450 3.310 ( 0.693 0.400 2.532) 2.655 3.504 ( 1.891 1.092 -5.769) 6.168 3.567 ( -0.940 -0.543 1.593) 1.927 3.621 ( 7.870 4.544 4.392) 10.093 3.837 ( 2.428 1.402 1.333) 3.104 4.022 ( -1.221 -0.705 -1.584) 2.120 4.107 ( -2.832 -1.635 2.209) 3.946 4.128 ( -1.960 -1.131 -5.918) 6.336 4.202 ( -2.431 -1.403 0.120) 2.809 4.204 ( 0.585 0.338 -1.390) 1.545 4.303 ( 3.810 2.200 -1.361) 4.605 4.526 ( 2.872 1.658 2.198) 3.979 4.573 ( -0.231 -0.133 -0.035) 0.269 4.717 ( -6.576 -3.797 1.711) 7.784 4.983 ( -8.862 -5.116 -1.101) 10.292 5.941 ( 0.274 0.158 -1.756) 1.785 6.189 ( -0.667 -0.385 -1.453) 1.644 6.270 ( 0.500 0.289 2.658) 2.720 6.411 ( 0.583 0.337 -0.345) 0.757 6.783 ( 0.659 0.381 4.586) 4.649 6.901 ( 0.002 0.001 2.084) 2.084 8.728 ( -0.248 -0.143 -0.553) 0.623 8.787 ( -0.786 -0.454 -2.804) 2.947 8.939 ( -1.494 -0.863 -2.339) 2.907 9.105 ( -0.970 -0.560 -0.660) 1.300 9.225 ( 1.493 0.862 4.180) 4.522 9.476 ( -2.781 -1.606 -0.621) 3.271 9.662 ( -3.107 -1.794 -5.398) 6.482 9.683 ( -4.491 -2.593 -2.017) 5.564 9.839 ( 1.883 1.087 -9.065) 9.323 10.158 ( 3.076 1.776 6.050) 7.015 10.780 ( -0.416 -0.240 13.292) 13.301 10.896 ( -2.732 -1.577 5.210) 6.091 11.259 ( -1.547 -0.893 -5.166) 5.466 11.509 ( 0.082 0.047 -5.233) 5.234 11.615 ( 1.860 1.074 1.272) 2.496 11.709 ( -0.269 -0.155 6.038) 6.046 11.766 ( 1.395 0.805 -4.586) 4.861 12.148 ( -0.061 -0.035 -2.881) 2.882 12.248 ( 2.826 1.632 4.823) 5.824 12.625 ( -0.228 -0.131 8.083) 8.087 12.989 ( 2.818 1.627 -6.071) 6.888 13.469 ( 1.602 0.925 0.734) 1.990 16.305 ( 1.226 0.708 0.874) 1.664 16.389 ( 0.368 0.213 0.342) 0.546 16.806 ( -0.178 -0.103 -1.811) 1.823 17.205 ( -2.925 -1.688 -5.179) 6.183 17.590 ( 1.223 0.706 1.685) 2.199 17.772 ( 3.246 1.874 -9.126) 9.866 18.836 ( -3.134 -1.809 1.939) 4.106 19.350 ( -7.109 -4.104 6.092) 10.222 ======================= Grid point 355 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 16.080 21.671) 26.985 1.303 ( 0.000 16.687 21.581) 27.280 1.858 ( -0.000 10.408 -15.031) 18.282 1.879 ( -0.000 11.330 -17.081) 20.497 2.288 ( 0.000 5.200 2.645) 5.834 2.293 ( -0.000 3.778 -1.077) 3.928 2.328 ( 0.000 6.439 43.377) 43.853 3.024 ( 0.000 -4.710 1.194) 4.859 3.125 ( -0.000 0.683 -1.864) 1.985 3.194 ( 0.000 3.302 6.455) 7.250 3.357 ( -0.000 1.004 -10.147) 10.197 3.477 ( -0.000 2.205 -9.375) 9.631 3.633 ( -0.000 -5.622 -5.646) 7.967 3.804 ( -0.000 0.439 -6.252) 6.267 4.033 ( 0.000 -1.014 4.802) 4.908 4.118 ( 0.000 4.185 2.750) 5.008 4.230 ( -0.000 -2.004 -1.376) 2.431 4.269 ( -0.000 0.184 -4.184) 4.188 4.451 ( 0.000 -2.465 0.671) 2.555 4.461 ( 0.000 -2.420 0.502) 2.472 4.481 ( 0.000 -6.605 2.018) 6.906 4.624 ( 0.000 -0.905 0.321) 0.961 5.001 ( -0.000 -2.292 -9.327) 9.604 5.173 ( -0.000 13.970 -6.649) 15.471 5.903 ( 0.000 0.430 1.953) 2.000 6.216 ( 0.000 -1.126 1.586) 1.945 6.251 ( 0.000 1.165 0.582) 1.303 6.389 ( -0.000 0.156 -1.252) 1.262 6.773 ( 0.000 0.910 0.114) 0.917 6.798 ( -0.000 1.201 -2.060) 2.385 8.783 ( -0.000 -0.342 -0.396) 0.523 8.787 ( 0.000 0.233 0.017) 0.234 9.008 ( 0.000 -1.596 1.359) 2.096 9.095 ( -0.000 -0.988 -0.785) 1.262 9.158 ( -0.000 2.339 -4.105) 4.725 9.756 ( 0.000 -1.793 9.614) 9.780 9.761 ( 0.000 -2.572 12.928) 13.181 9.962 ( 0.000 -8.554 -0.048) 8.554 10.119 ( -0.000 -0.739 -8.711) 8.742 10.155 ( -0.000 1.616 -9.580) 9.715 11.003 ( 0.000 -15.692 9.844) 18.524 11.209 ( 0.000 -1.024 6.147) 6.232 11.430 ( -0.000 -15.285 -5.575) 16.270 11.566 ( 0.000 1.389 1.709) 2.202 11.575 ( -0.000 -0.324 -0.476) 0.575 11.756 ( 0.000 -1.348 3.885) 4.112 11.792 ( -0.000 2.212 -5.463) 5.894 11.859 ( -0.000 8.679 -1.316) 8.779 12.103 ( 0.000 -0.613 1.495) 1.616 12.355 ( 0.000 13.919 2.245) 14.099 12.447 ( 0.000 3.555 1.638) 3.914 13.352 ( -0.000 -0.396 -1.357) 1.413 16.224 ( 0.000 0.033 4.308) 4.308 16.409 ( -0.000 -2.140 -4.179) 4.695 16.758 ( 0.000 -0.113 2.087) 2.090 16.997 ( -0.000 16.241 -2.569) 16.443 17.494 ( -0.000 -0.849 -0.926) 1.257 17.520 ( -0.000 1.338 -1.747) 2.200 19.261 ( -0.000 -4.663 -2.199) 5.155 20.295 ( 0.000 -13.145 1.036) 13.186 ======================= Grid point 356 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 8.492 16.162 18.163) 25.753 1.656 ( 9.994 17.435 16.014) 25.696 2.018 ( 7.242 12.783 -15.060) 21.039 2.026 ( 9.261 14.261 -12.751) 21.254 2.334 ( 1.516 6.058 0.253) 6.250 2.407 ( 4.145 5.458 1.196) 6.957 2.591 ( 4.934 7.240 30.617) 31.846 2.967 ( -1.108 -3.893 -1.021) 4.174 3.144 ( 1.601 1.936 0.942) 2.683 3.253 ( 0.551 2.001 6.094) 6.438 3.356 ( 2.114 2.106 -8.810) 9.302 3.476 ( -0.166 0.359 -6.819) 6.830 3.546 ( -1.103 -1.356 -3.990) 4.356 3.787 ( -0.424 1.177 -5.183) 5.331 4.067 ( 2.665 -1.251 3.987) 4.956 4.154 ( -0.722 1.526 -1.187) 2.064 4.200 ( -0.781 -0.876 1.068) 1.587 4.248 ( -1.527 -0.608 -2.043) 2.622 4.357 ( -3.374 -1.989 -0.842) 4.006 4.398 ( -1.273 -3.916 -1.448) 4.365 4.477 ( 0.339 -2.639 -0.180) 2.667 4.612 ( -0.340 -1.353 -0.057) 1.396 4.939 ( -1.589 -2.125 -2.147) 3.414 5.283 ( 1.686 4.795 -7.356) 8.942 5.917 ( 0.371 0.422 1.114) 1.248 6.214 ( 0.530 -1.142 1.579) 2.019 6.254 ( -0.860 0.912 -0.210) 1.271 6.388 ( 0.122 0.333 -0.974) 1.037 6.770 ( -1.110 1.310 0.948) 1.961 6.831 ( 1.909 1.468 -1.424) 2.797 8.768 ( -0.700 -0.217 0.283) 0.785 8.803 ( 1.326 -0.647 -1.202) 1.904 8.987 ( -0.493 -1.610 0.421) 1.736 9.100 ( 1.289 -0.167 1.233) 1.792 9.163 ( -0.602 2.220 -4.109) 4.709 9.744 ( -1.302 -3.263 10.512) 11.083 9.791 ( 0.609 -2.792 8.569) 9.033 9.830 ( -4.385 -9.445 2.510) 10.712 10.056 ( -1.138 -1.792 -8.010) 8.287 10.119 ( -2.373 1.034 -9.803) 10.140 10.849 ( -4.893 -6.627 10.565) 13.398 11.132 ( -5.100 -9.861 -3.910) 11.770 11.333 ( 2.347 -0.720 1.026) 2.660 11.506 ( -3.105 -1.419 -0.598) 3.466 11.632 ( 2.491 0.545 0.650) 2.632 11.703 ( -4.208 0.045 4.291) 6.010 11.799 ( -0.629 1.446 -2.869) 3.274 11.962 ( 2.806 7.473 -0.001) 7.982 12.130 ( 1.997 -0.234 -0.938) 2.218 12.518 ( 2.573 3.374 1.456) 4.486 12.568 ( 6.960 9.708 2.288) 12.162 13.355 ( 0.401 1.335 0.581) 1.510 16.241 ( 0.004 0.770 3.587) 3.669 16.374 ( -0.168 -0.730 -3.813) 3.886 16.786 ( 1.552 0.425 1.019) 1.904 17.212 ( 6.666 11.468 -2.499) 13.498 17.474 ( -0.350 -2.837 -0.464) 2.896 17.545 ( 1.517 2.917 -1.409) 3.577 19.154 ( -4.165 -6.132 -3.150) 8.054 20.057 ( -9.529 -14.683 1.451) 17.564 ======================= Grid point 357 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 9.328 11.035 15.337) 21.072 2.071 ( 11.670 15.517 8.371) 21.143 2.229 ( 9.556 7.615 -11.531) 16.801 2.339 ( 10.167 14.894 -7.644) 19.586 2.475 ( 5.132 10.183 -1.141) 11.460 2.565 ( 8.146 5.056 1.075) 9.648 2.833 ( 5.418 5.469 11.466) 13.811 2.907 ( -1.374 -1.786 -2.582) 3.427 3.247 ( 2.924 4.426 9.188) 10.609 3.295 ( 0.392 0.978 4.239) 4.368 3.392 ( 1.595 -3.337 -0.677) 3.760 3.418 ( 1.518 2.705 -11.423) 11.836 3.572 ( 0.995 4.177 -1.254) 4.473 3.779 ( 0.125 1.361 -3.258) 3.533 4.100 ( -1.341 0.429 -1.395) 1.982 4.127 ( 0.928 -2.538 1.804) 3.249 4.161 ( -1.182 -2.596 -2.755) 3.966 4.226 ( -0.481 0.388 0.431) 0.754 4.262 ( -2.941 -3.280 -2.420) 5.026 4.352 ( -2.588 -0.349 -0.647) 2.691 4.456 ( 0.699 -1.050 -0.038) 1.262 4.586 ( -0.591 -1.695 -0.204) 1.806 4.878 ( -2.564 -3.662 2.104) 4.941 5.248 ( -3.969 -3.323 -3.691) 6.357 5.930 ( 0.375 0.385 0.008) 0.538 6.217 ( -0.221 -0.244 -0.021) 0.329 6.247 ( -0.017 0.009 0.792) 0.792 6.394 ( 0.305 0.505 -0.497) 0.771 6.775 ( -0.350 1.019 2.218) 2.466 6.873 ( 1.435 1.426 -0.382) 2.058 8.754 ( -1.036 -0.010 0.572) 1.184 8.804 ( 0.556 -1.245 -2.364) 2.729 8.966 ( -0.309 -1.173 -1.066) 1.614 9.142 ( 1.641 0.176 1.751) 2.406 9.152 ( -0.549 1.606 -1.818) 2.487 9.650 ( -5.840 -7.270 1.092) 9.389 9.729 ( -0.277 -3.419 7.444) 8.196 9.771 ( -1.960 -2.747 2.224) 4.041 9.961 ( -4.319 -3.416 -10.664) 12.001 10.075 ( 0.125 2.150 -0.803) 2.298 10.789 ( -1.643 -2.465 10.532) 10.940 10.952 ( -2.016 -7.129 -5.005) 8.941 11.360 ( -3.278 4.307 -1.829) 5.713 11.462 ( 2.084 -3.763 1.786) 4.658 11.666 ( -3.642 3.509 5.986) 7.836 11.673 ( 1.466 -1.157 0.839) 2.047 11.787 ( -0.538 1.667 -4.585) 4.909 12.097 ( 4.047 5.688 1.837) 7.219 12.157 ( 1.028 1.771 -2.343) 3.112 12.590 ( 1.774 1.631 2.815) 3.706 12.775 ( 7.124 4.228 -0.782) 8.321 13.396 ( 1.711 1.743 1.121) 2.687 16.266 ( 0.608 0.946 2.318) 2.576 16.365 ( 0.610 0.197 -2.270) 2.359 16.819 ( 0.457 2.083 -0.490) 2.189 17.343 ( -2.632 2.434 -2.194) 4.203 17.457 ( 5.572 -3.446 -0.762) 6.596 17.635 ( 3.291 6.603 -1.568) 7.543 18.990 ( -5.142 -6.656 -1.789) 8.599 19.722 ( -11.717 -12.791 2.436) 17.517 ======================= Grid point 358 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 4.947 2.304 6.813) 8.729 2.412 ( 4.265 9.851 7.643) 13.178 2.444 ( 9.302 8.490 -6.291) 14.078 2.543 ( 6.595 9.923 -7.748) 14.213 2.748 ( 9.764 9.886 -4.419) 14.580 2.790 ( 8.597 5.854 3.134) 10.862 2.871 ( -0.560 1.176 0.362) 1.352 2.964 ( 1.634 2.625 1.720) 3.538 3.246 ( -3.433 -0.976 -0.117) 3.571 3.324 ( -0.210 0.956 1.234) 1.575 3.447 ( 3.738 0.940 -2.370) 4.524 3.528 ( 7.266 4.844 2.119) 8.986 3.619 ( -0.438 4.045 -0.098) 4.070 3.813 ( 2.454 1.710 1.454) 3.326 4.042 ( -2.426 -0.303 -2.896) 3.790 4.098 ( -0.845 -3.196 -2.492) 4.140 4.139 ( -0.709 -1.393 1.163) 1.948 4.185 ( -0.485 -2.219 -0.062) 2.272 4.243 ( 1.863 0.007 -0.976) 2.103 4.285 ( -4.059 1.396 -0.368) 4.308 4.488 ( 2.887 -0.066 1.105) 3.092 4.560 ( 0.063 -2.024 -0.022) 2.025 4.771 ( -4.671 -6.127 1.182) 7.794 5.072 ( -8.008 -7.158 -0.128) 10.742 5.937 ( 0.059 0.479 -0.972) 1.085 6.200 ( -1.125 0.451 -1.622) 2.025 6.264 ( 1.146 -0.434 2.271) 2.581 6.404 ( 0.421 0.378 -0.120) 0.579 6.793 ( 0.406 0.485 3.169) 3.231 6.905 ( 0.594 0.824 0.941) 1.385 8.735 ( -0.997 -0.231 0.172) 1.038 8.786 ( -0.324 -0.475 -2.665) 2.726 8.941 ( -0.774 -0.938 -1.578) 1.992 9.123 ( -1.525 0.600 -1.936) 2.536 9.207 ( 2.496 -0.252 4.167) 4.863 9.506 ( -3.725 -3.880 -0.182) 5.382 9.667 ( -3.009 -3.177 -4.089) 5.989 9.746 ( -1.212 -2.025 6.194) 6.629 9.800 ( -3.913 -0.314 -13.383) 13.947 10.140 ( 3.319 1.319 5.118) 6.241 10.791 ( 0.584 -3.774 9.982) 10.688 10.878 ( 1.070 -4.629 -0.169) 4.754 11.307 ( -4.453 1.775 -2.205) 5.277 11.484 ( 1.791 -1.109 -0.732) 2.230 11.650 ( -1.908 0.770 -6.218) 6.549 11.695 ( -0.137 3.099 7.950) 8.534 11.804 ( 0.150 3.829 -0.599) 3.878 12.174 ( -0.851 3.685 -1.232) 3.978 12.231 ( 3.657 3.700 1.835) 5.516 12.634 ( 0.922 -0.344 4.000) 4.119 12.894 ( 5.284 -0.749 -3.497) 6.381 13.446 ( 1.830 0.841 0.433) 2.060 16.295 ( 0.973 0.639 0.900) 1.471 16.378 ( 0.919 0.315 -0.204) 0.993 16.842 ( -1.049 4.079 -1.210) 4.382 17.246 ( -5.352 -1.000 -3.446) 6.443 17.537 ( 5.283 -2.076 0.197) 5.680 17.743 ( 1.504 6.422 -4.721) 8.111 18.844 ( -2.723 -6.967 1.294) 7.592 19.436 ( -8.052 -9.282 3.879) 12.886 ======================= Grid point 367 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 18.671 13.653) 23.131 1.819 ( 0.000 19.017 15.964) 24.830 2.045 ( -0.000 14.436 -15.084) 20.879 2.070 ( -0.000 18.536 -10.529) 21.318 2.368 ( -0.000 4.725 -2.141) 5.187 2.449 ( 0.000 9.130 1.837) 9.313 2.736 ( 0.000 7.829 22.094) 23.441 2.931 ( 0.000 -4.233 0.112) 4.235 3.158 ( 0.000 3.205 4.923) 5.874 3.288 ( 0.000 1.583 3.854) 4.166 3.329 ( -0.000 2.849 -8.908) 9.352 3.494 ( -0.000 4.235 -4.542) 6.210 3.499 ( -0.000 -3.719 -3.356) 5.009 3.788 ( -0.000 1.997 -5.992) 6.316 4.043 ( 0.000 -1.335 4.447) 4.643 4.169 ( -0.000 -1.042 -0.267) 1.075 4.208 ( 0.000 0.400 1.364) 1.421 4.235 ( -0.000 -0.621 -3.896) 3.946 4.329 ( -0.000 -6.063 -3.516) 7.009 4.390 ( 0.000 -4.604 0.118) 4.606 4.445 ( 0.000 0.421 1.669) 1.721 4.605 ( 0.000 -1.132 0.378) 1.193 4.928 ( -0.000 -1.972 -0.565) 2.051 5.288 ( -0.000 2.188 -6.377) 6.742 5.921 ( 0.000 0.277 0.820) 0.866 6.202 ( 0.000 -1.263 1.780) 2.183 6.270 ( -0.000 0.920 -1.176) 1.493 6.387 ( -0.000 0.438 -0.744) 0.863 6.803 ( -0.000 1.020 -2.914) 3.087 6.821 ( 0.000 2.663 1.778) 3.202 8.765 ( -0.000 -0.982 -0.666) 1.186 8.788 ( 0.000 -0.455 1.315) 1.392 8.975 ( 0.000 -1.966 0.720) 2.094 9.091 ( 0.000 -0.013 1.948) 1.948 9.182 ( -0.000 2.995 -4.270) 5.215 9.758 ( 0.000 -3.902 7.099) 8.100 9.762 ( 0.000 -6.560 1.685) 6.773 9.788 ( 0.000 -8.416 13.517) 15.923 9.995 ( -0.000 -4.710 -10.064) 11.112 10.130 ( -0.000 2.522 -8.703) 9.061 10.867 ( 0.000 -3.777 7.055) 8.002 11.115 ( -0.000 -9.599 -7.655) 12.277 11.232 ( 0.000 -0.913 5.716) 5.788 11.570 ( -0.000 0.479 -0.960) 1.072 11.590 ( 0.000 -1.412 2.265) 2.669 11.750 ( 0.000 -1.355 0.498) 1.444 11.786 ( -0.000 1.179 -5.756) 5.875 12.013 ( -0.000 7.728 -1.638) 7.900 12.110 ( 0.000 -0.137 2.348) 2.352 12.535 ( 0.000 4.497 1.378) 4.704 12.644 ( 0.000 11.355 3.306) 11.827 13.370 ( 0.000 2.114 0.165) 2.120 16.262 ( 0.000 0.972 2.419) 2.607 16.358 ( -0.000 -0.056 -2.810) 2.811 16.774 ( 0.000 0.187 1.979) 1.988 17.264 ( -0.000 8.635 -1.640) 8.789 17.472 ( 0.000 0.255 2.345) 2.358 17.541 ( -0.000 1.851 -1.703) 2.515 19.112 ( -0.000 -7.070 -3.119) 7.728 19.976 ( 0.000 -17.062 -0.380) 17.066 ======================= Grid point 368 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.116 15.092 12.202) 19.840 2.112 ( 5.786 17.490 8.272) 20.194 2.154 ( 3.906 10.572 -13.711) 17.748 2.316 ( 8.286 17.565 -5.094) 20.078 2.474 ( 5.940 7.382 -0.714) 9.501 2.563 ( 0.316 10.181 1.224) 10.259 2.867 ( 1.170 5.533 5.119) 7.628 2.896 ( 0.012 -1.536 0.048) 1.536 3.264 ( 3.733 3.322 12.349) 13.321 3.314 ( 0.432 1.079 1.262) 1.715 3.344 ( 0.799 1.641 -3.473) 3.924 3.420 ( -2.556 1.955 -6.997) 7.702 3.569 ( 3.100 3.217 -0.847) 4.547 3.785 ( -0.269 2.131 -4.845) 5.300 4.064 ( 2.153 -1.923 3.743) 4.727 4.137 ( -1.156 -2.239 0.761) 2.632 4.167 ( -3.425 -0.923 -3.799) 5.198 4.227 ( -0.770 -1.068 -0.420) 1.382 4.261 ( -0.304 -3.352 -1.133) 3.551 4.348 ( 0.921 -2.757 0.154) 2.911 4.453 ( -0.828 0.575 0.393) 1.082 4.585 ( -0.989 -1.325 0.109) 1.657 4.884 ( -1.943 -3.840 0.867) 4.390 5.248 ( -1.792 -4.362 -3.590) 5.927 5.928 ( 0.293 0.217 0.378) 0.525 6.204 ( 0.810 -0.970 1.775) 2.179 6.263 ( -1.064 0.720 -1.672) 2.108 6.393 ( 0.238 0.565 -0.351) 0.707 6.796 ( -0.462 0.945 -1.450) 1.791 6.868 ( 1.142 2.307 0.495) 2.621 8.763 ( 1.014 -0.843 -0.848) 1.568 8.780 ( -0.922 -0.785 1.656) 2.052 8.957 ( -0.270 -1.441 0.582) 1.577 9.115 ( 1.663 -0.127 2.801) 3.260 9.186 ( -1.261 2.754 -4.095) 5.093 9.648 ( -2.908 -8.429 0.582) 8.936 9.724 ( -1.022 -4.774 6.746) 8.327 9.778 ( -0.553 -3.577 7.297) 8.146 9.909 ( 0.478 -6.191 -6.098) 8.703 10.112 ( -1.670 3.181 -6.463) 7.395 10.846 ( -2.235 -0.085 4.587) 5.103 10.927 ( -5.691 -5.819 -4.851) 9.475 11.334 ( 6.908 -1.068 2.379) 7.384 11.483 ( -5.102 -0.329 -1.450) 5.314 11.635 ( 1.853 -1.657 5.371) 5.919 11.748 ( 1.523 0.478 -1.321) 2.072 11.768 ( -0.676 1.068 -6.277) 6.403 12.109 ( 2.200 6.989 -0.520) 7.346 12.139 ( 2.047 1.290 0.872) 2.572 12.596 ( 0.942 3.058 1.815) 3.679 12.765 ( 0.827 7.315 1.179) 7.456 13.400 ( 0.533 2.357 0.332) 2.439 16.277 ( 0.044 0.960 0.748) 1.218 16.356 ( 0.125 0.877 -1.111) 1.420 16.810 ( 2.345 1.062 1.061) 2.784 17.330 ( 3.723 -2.199 0.027) 4.324 17.450 ( -4.936 3.596 0.641) 6.141 17.623 ( 4.688 4.902 0.601) 6.809 18.992 ( -3.829 -7.152 -2.143) 8.391 19.740 ( -6.264 -15.576 -0.850) 16.810 ======================= Grid point 369 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 2.097 3.632 -0.000) 4.193 2.388 ( 6.972 12.075 -0.000) 13.943 2.437 ( 9.337 16.172 0.000) 18.674 2.546 ( 3.035 5.257 -0.000) 6.070 2.687 ( 5.138 8.900 -0.000) 10.277 2.744 ( 8.791 15.227 -0.000) 17.582 2.887 ( 0.299 0.518 -0.000) 0.598 2.964 ( 2.333 4.041 0.000) 4.666 3.287 ( -2.156 -3.734 -0.000) 4.311 3.331 ( 0.302 0.524 -0.000) 0.605 3.403 ( 2.327 4.031 -0.000) 4.655 3.487 ( 4.459 7.722 0.000) 8.917 3.650 ( 1.849 3.203 -0.000) 3.699 3.801 ( 1.176 2.038 -0.000) 2.353 4.063 ( -1.923 -3.332 -0.000) 3.847 4.092 ( -0.800 -1.386 -0.000) 1.601 4.123 ( 0.477 0.827 -0.000) 0.955 4.171 ( -1.574 -2.726 -0.000) 3.148 4.233 ( -1.031 -1.785 -0.000) 2.061 4.348 ( -0.259 -0.448 -0.000) 0.517 4.447 ( 0.391 0.677 -0.000) 0.782 4.547 ( -1.209 -2.094 -0.000) 2.417 4.779 ( -3.898 -6.751 -0.000) 7.795 5.108 ( -5.158 -8.934 0.000) 10.317 5.937 ( 0.261 0.452 -0.000) 0.522 6.216 ( 0.044 0.076 -0.000) 0.088 6.248 ( 0.006 0.010 -0.000) 0.012 6.402 ( 0.236 0.409 -0.000) 0.473 6.798 ( 0.224 0.388 0.000) 0.448 6.905 ( 0.760 1.317 -0.000) 1.521 8.752 ( -0.776 -1.344 -0.000) 1.552 8.773 ( 0.133 0.230 -0.000) 0.266 8.940 ( -0.491 -0.851 -0.000) 0.983 9.149 ( 0.017 0.029 0.000) 0.033 9.177 ( 0.470 0.814 -0.000) 0.940 9.520 ( -3.047 -5.278 0.000) 6.094 9.672 ( -1.989 -3.445 -0.000) 3.977 9.735 ( -1.259 -2.180 -0.000) 2.517 9.841 ( -1.970 -3.413 0.000) 3.940 10.118 ( 1.222 2.116 -0.000) 2.443 10.789 ( -2.740 -4.745 0.000) 5.479 10.825 ( -0.507 -0.878 -0.000) 1.014 11.378 ( -1.944 -3.367 -0.000) 3.888 11.441 ( 1.015 1.757 -0.000) 2.029 11.647 ( 0.009 0.015 -0.000) 0.018 11.769 ( 1.239 2.145 -0.000) 2.477 11.811 ( 2.289 3.965 -0.000) 4.578 12.206 ( 2.341 4.054 -0.000) 4.681 12.216 ( 2.520 4.364 -0.000) 5.040 12.631 ( 0.340 0.589 0.000) 0.680 12.821 ( 0.673 1.166 -0.000) 1.347 13.434 ( 0.803 1.391 -0.000) 1.606 16.292 ( 0.431 0.746 0.000) 0.862 16.370 ( 0.507 0.877 -0.000) 1.013 16.876 ( 2.047 3.545 -0.000) 4.093 17.324 ( -1.943 -3.365 -0.000) 3.886 17.428 ( 0.692 1.198 -0.000) 1.384 17.766 ( 3.884 6.728 -0.000) 7.768 18.828 ( -4.766 -8.255 -0.000) 9.532 19.468 ( -7.044 -12.200 -0.000) 14.087 ======================= Grid point 379 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -0.000 9.394 -12.861) 15.926 2.206 ( 0.000 16.917 1.386) 16.974 2.288 ( 0.000 15.308 13.832) 20.632 2.349 ( -0.000 8.651 -3.317) 9.265 2.529 ( 0.000 14.546 1.901) 14.670 2.687 ( -0.000 12.623 -0.002) 12.623 2.867 ( 0.000 -2.561 1.635) 3.038 2.928 ( -0.000 4.854 -2.126) 5.299 3.261 ( 0.000 -2.602 3.795) 4.601 3.316 ( -0.000 0.542 -1.150) 1.272 3.397 ( 0.000 7.339 5.329) 9.069 3.462 ( -0.000 3.769 -3.344) 5.039 3.555 ( -0.000 2.692 -0.754) 2.796 3.795 ( -0.000 2.726 -4.718) 5.449 4.039 ( 0.000 -1.823 3.426) 3.881 4.130 ( 0.000 -2.514 3.395) 4.225 4.185 ( -0.000 -1.919 -3.260) 3.783 4.218 ( -0.000 -0.775 -0.958) 1.232 4.240 ( 0.000 -0.132 0.742) 0.753 4.286 ( 0.000 -5.067 -0.077) 5.067 4.480 ( -0.000 2.058 -0.094) 2.061 4.585 ( 0.000 -0.935 0.203) 0.957 4.862 ( 0.000 -5.034 0.001) 5.034 5.191 ( -0.000 -7.785 -2.456) 8.163 5.928 ( 0.000 0.081 0.692) 0.696 6.193 ( 0.000 -0.915 1.851) 2.065 6.274 ( -0.000 0.758 -2.258) 2.382 6.396 ( -0.000 0.657 -0.147) 0.673 6.798 ( -0.000 0.841 -3.860) 3.951 6.884 ( 0.000 2.071 0.619) 2.162 8.740 ( -0.000 -0.945 -0.185) 0.963 8.789 ( 0.000 -0.987 2.714) 2.888 8.950 ( 0.000 -1.254 1.726) 2.134 9.108 ( 0.000 -0.208 2.319) 2.328 9.212 ( -0.000 2.723 -4.443) 5.211 9.591 ( 0.000 -7.924 0.580) 7.945 9.710 ( 0.000 -4.616 5.188) 6.945 9.776 ( 0.000 -4.665 14.123) 14.874 9.815 ( -0.000 -4.725 -8.555) 9.773 10.134 ( -0.000 3.328 -7.011) 7.761 10.870 ( -0.000 0.751 -7.635) 7.672 10.949 ( 0.000 -3.137 0.541) 3.183 11.251 ( 0.000 -1.200 5.363) 5.496 11.538 ( -0.000 -3.461 -0.648) 3.522 11.583 ( -0.000 1.648 -1.301) 2.100 11.726 ( 0.000 -0.494 1.935) 1.997 11.756 ( -0.000 0.114 -5.959) 5.960 12.128 ( 0.000 -0.026 2.877) 2.877 12.160 ( -0.000 7.198 -2.063) 7.488 12.629 ( -0.000 3.239 -0.854) 3.349 12.852 ( 0.000 7.065 2.550) 7.511 13.423 ( -0.000 2.661 -0.098) 2.663 16.287 ( -0.000 1.107 -0.979) 1.478 16.367 ( 0.000 1.320 0.251) 1.344 16.793 ( 0.000 0.152 1.874) 1.880 17.268 ( 0.000 -4.540 2.160) 5.028 17.568 ( -0.000 1.884 -1.681) 2.525 17.607 ( 0.000 6.877 5.635) 8.891 18.953 ( -0.000 -6.194 -2.016) 6.514 19.627 ( -0.000 -14.787 -3.316) 15.154 ======================= Grid point 462 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 -0.000 24.938) 24.938 1.195 ( 0.000 -0.000 24.938) 24.938 1.683 ( -0.000 0.000 -19.188) 19.188 1.683 ( -0.000 0.000 -19.188) 19.188 2.244 ( 0.000 -0.000 0.497) 0.497 2.244 ( 0.000 -0.000 0.497) 0.497 2.433 ( 0.000 -0.000 45.810) 45.810 3.109 ( -0.000 0.000 -1.300) 1.300 3.109 ( -0.000 0.000 -1.300) 1.300 3.161 ( 0.000 -0.000 11.014) 11.014 3.286 ( -0.000 0.000 -19.521) 19.521 3.413 ( -0.000 0.000 -11.336) 11.336 3.679 ( -0.000 0.000 -4.743) 4.743 3.786 ( -0.000 0.000 -5.578) 5.578 4.070 ( 0.000 -0.000 4.456) 4.456 4.070 ( 0.000 -0.000 4.456) 4.456 4.241 ( -0.000 0.000 -4.019) 4.019 4.241 ( -0.000 0.000 -4.019) 4.019 4.487 ( 0.000 -0.000 0.482) 0.482 4.487 ( 0.000 -0.000 0.482) 0.482 4.637 ( 0.000 -0.000 0.080) 0.080 4.637 ( 0.000 -0.000 0.080) 0.080 4.903 ( 0.000 -0.000 2.127) 2.127 5.012 ( -0.000 0.000 -7.977) 7.977 5.905 ( 0.000 -0.000 1.766) 1.766 6.237 ( 0.000 -0.000 1.014) 1.014 6.237 ( 0.000 -0.000 1.014) 1.014 6.383 ( -0.000 0.000 -1.005) 1.005 6.771 ( -0.000 0.000 -1.014) 1.014 6.771 ( -0.000 0.000 -1.014) 1.014 8.784 ( -0.000 0.000 -0.063) 0.063 8.784 ( -0.000 0.000 -0.063) 0.063 9.030 ( 0.000 -0.000 1.210) 1.210 9.112 ( -0.000 0.000 -1.892) 1.892 9.112 ( -0.000 0.000 -1.892) 1.892 9.818 ( 0.000 -0.000 10.502) 10.502 9.818 ( 0.000 -0.000 10.502) 10.502 10.066 ( -0.000 0.000 -0.321) 0.321 10.089 ( -0.000 0.000 -9.485) 9.485 10.089 ( -0.000 0.000 -9.485) 9.485 11.250 ( 0.000 -0.000 4.414) 4.414 11.250 ( 0.000 -0.000 4.414) 4.414 11.584 ( 0.000 0.000 0.085) 0.085 11.584 ( 0.000 0.000 0.085) 0.085 11.646 ( 0.000 -0.000 1.856) 1.856 11.727 ( -0.000 0.000 -3.798) 3.798 11.727 ( -0.000 0.000 -3.798) 3.798 11.786 ( -0.000 0.000 -1.316) 1.316 12.121 ( 0.000 -0.000 0.366) 0.366 12.121 ( 0.000 -0.000 0.366) 0.366 12.416 ( 0.000 -0.000 3.908) 3.908 13.351 ( -0.000 0.000 -3.554) 3.554 16.244 ( 0.000 -0.000 3.781) 3.781 16.438 ( -0.000 0.000 -3.597) 3.597 16.771 ( 0.000 -0.000 1.396) 1.396 16.771 ( 0.000 -0.000 1.396) 1.396 17.497 ( -0.000 0.000 -1.165) 1.165 17.497 ( -0.000 0.000 -1.165) 1.165 19.314 ( 0.000 -0.000 0.084) 0.084 20.445 ( -0.000 0.000 -0.008) 0.008 ======================= Grid point 463 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 11.721 6.767 21.727) 25.598 1.453 ( 12.530 7.234 19.841) 24.556 1.742 ( 10.452 6.034 -18.332) 21.948 1.751 ( 11.164 6.446 -17.594) 21.811 2.266 ( 2.085 1.204 1.507) 2.840 2.318 ( 5.078 2.932 -0.626) 5.897 2.624 ( 2.969 1.714 34.690) 34.859 3.037 ( -3.929 -2.268 -0.506) 4.565 3.116 ( 1.394 0.805 -0.276) 1.633 3.244 ( 1.889 1.091 8.071) 8.361 3.251 ( 3.343 1.930 -18.534) 18.931 3.409 ( 2.974 1.717 -8.897) 9.537 3.602 ( -4.734 -2.733 -2.165) 5.880 3.764 ( -0.099 -0.057 -3.488) 3.489 4.099 ( 0.422 0.244 1.649) 1.720 4.108 ( 2.218 1.281 3.025) 3.964 4.207 ( -1.055 -0.609 -1.334) 1.806 4.249 ( 0.528 0.305 -3.164) 3.223 4.416 ( -5.764 -3.328 2.737) 7.196 4.462 ( -2.174 -1.255 0.402) 2.542 4.529 ( -3.698 -2.135 -0.683) 4.324 4.632 ( -0.585 -0.338 -0.291) 0.735 4.945 ( -0.158 -0.091 -5.176) 5.180 5.135 ( 9.179 5.300 -2.173) 10.819 5.914 ( 0.301 0.174 1.057) 1.113 6.238 ( -0.385 -0.222 -0.110) 0.458 6.240 ( 0.150 0.086 1.412) 1.423 6.381 ( 0.092 0.053 -0.707) 0.715 6.760 ( -0.123 -0.071 0.927) 0.937 6.798 ( 1.868 1.078 -1.776) 2.794 8.775 ( -0.575 -0.332 0.254) 0.711 8.798 ( 0.964 0.556 -0.886) 1.422 9.016 ( -1.356 -0.783 0.601) 1.678 9.103 ( 0.512 0.296 0.650) 0.878 9.122 ( 0.614 0.355 -2.935) 3.019 9.821 ( -1.997 -1.153 8.614) 8.918 9.854 ( -0.752 -0.434 7.492) 7.542 9.984 ( -5.729 -3.308 1.675) 6.824 10.036 ( -0.444 -0.257 -5.640) 5.663 10.082 ( -0.514 -0.297 -10.366) 10.383 11.045 ( -11.942 -6.895 6.211) 15.123 11.280 ( 0.717 0.414 0.949) 1.260 11.383 ( -14.158 -8.174 -1.887) 16.457 11.575 ( -0.895 -0.517 -0.681) 1.237 11.596 ( -0.617 -0.357 -0.618) 0.943 11.704 ( 0.206 0.119 1.174) 1.197 11.790 ( -0.623 -0.360 1.122) 1.333 11.831 ( 6.901 3.985 0.650) 7.995 12.133 ( 0.488 0.282 -1.041) 1.184 12.359 ( 13.091 7.558 0.974) 15.148 12.471 ( 3.822 2.207 0.373) 4.429 13.340 ( 0.320 0.185 -0.788) 0.870 16.250 ( -0.304 -0.175 3.522) 3.539 16.383 ( -1.808 -1.044 -3.286) 3.894 16.784 ( 0.464 0.268 0.155) 0.557 16.977 ( 13.511 7.800 -0.732) 15.618 17.498 ( 0.662 0.382 -0.088) 0.769 17.504 ( 0.360 0.208 -1.685) 1.736 19.247 ( -5.166 -2.983 -0.759) 6.014 20.296 ( -11.644 -6.723 0.816) 13.470 ======================= Grid point 464 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 14.711 8.493 16.251) 23.509 1.844 ( 15.024 8.674 7.219) 18.791 2.026 ( 14.779 8.533 -13.969) 22.054 2.028 ( 16.670 9.624 -7.565) 20.682 2.348 ( 4.428 2.556 1.515) 5.333 2.464 ( 7.499 4.330 -0.423) 8.669 2.796 ( 4.457 2.573 11.569) 12.662 2.942 ( -3.449 -1.991 -1.991) 4.453 3.207 ( 4.879 2.817 9.215) 10.800 3.292 ( 4.481 2.587 -15.735) 16.564 3.293 ( 0.773 0.446 3.415) 3.530 3.479 ( 3.987 2.302 -2.235) 5.118 3.483 ( -4.108 -2.372 -0.228) 4.749 3.759 ( 0.424 0.245 -0.846) 0.978 4.088 ( -1.077 -0.622 -3.405) 3.625 4.167 ( 1.612 0.931 -0.045) 1.862 4.193 ( -0.560 -0.323 3.496) 3.555 4.216 ( -2.403 -1.387 0.295) 2.790 4.312 ( -3.563 -2.057 -0.825) 4.196 4.389 ( -3.969 -2.291 0.227) 4.589 4.465 ( -0.707 -0.408 -1.778) 1.957 4.610 ( -1.034 -0.597 -0.458) 1.279 4.924 ( -1.251 -0.722 0.326) 1.481 5.259 ( 1.284 0.741 -1.181) 1.896 5.925 ( 0.316 0.183 0.130) 0.388 6.220 ( -0.874 -0.505 -1.291) 1.639 6.253 ( 0.451 0.260 1.940) 2.009 6.384 ( 0.358 0.207 -0.242) 0.479 6.771 ( 0.426 0.246 2.822) 2.864 6.841 ( 2.167 1.251 -1.661) 3.003 8.759 ( -0.806 -0.465 0.364) 1.000 8.808 ( 0.155 0.090 -2.215) 2.223 8.982 ( -1.331 -0.769 -0.620) 1.658 9.119 ( 0.130 0.075 -3.159) 3.163 9.142 ( 2.060 1.190 3.136) 3.937 9.768 ( -5.656 -3.265 -0.299) 6.538 9.815 ( -3.273 -1.890 -1.908) 4.234 9.839 ( -5.597 -3.232 9.372) 11.385 9.978 ( -4.838 -2.793 -11.263) 12.572 10.052 ( 1.906 1.100 4.059) 4.617 10.875 ( -3.976 -2.296 6.205) 7.719 11.086 ( -8.871 -5.121 -2.867) 10.637 11.284 ( -0.176 -0.102 -3.303) 3.309 11.560 ( 0.024 0.014 0.658) 0.658 11.582 ( -1.608 -0.928 3.424) 3.895 11.728 ( 0.611 0.353 4.544) 4.598 11.761 ( -1.350 -0.779 -1.600) 2.233 11.997 ( 6.699 3.868 1.475) 7.875 12.135 ( 0.221 0.128 -2.211) 2.225 12.546 ( 4.070 2.350 -0.408) 4.717 12.664 ( 10.104 5.834 -0.434) 11.675 13.368 ( 1.912 1.104 0.625) 2.295 16.263 ( 0.473 0.273 2.390) 2.451 16.354 ( 0.167 0.096 -2.191) 2.200 16.792 ( 0.371 0.214 -1.122) 1.201 17.261 ( 7.758 4.479 -1.110) 9.027 17.503 ( 1.710 0.987 -3.262) 3.813 17.526 ( 1.414 0.816 1.028) 1.929 19.096 ( -6.669 -3.850 -0.299) 7.706 19.964 ( -15.499 -8.948 1.903) 17.997 ======================= Grid point 474 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 12.568 19.178) 22.929 1.528 ( 0.000 13.672 18.449) 22.963 1.679 ( -0.000 13.056 -18.302) 22.481 1.679 ( -0.000 13.346 -16.569) 21.275 2.281 ( -0.000 2.943 -1.273) 3.206 2.306 ( 0.000 5.552 1.445) 5.737 2.732 ( 0.000 1.305 23.424) 23.460 3.031 ( 0.000 -5.028 0.456) 5.048 3.111 ( -0.000 2.029 -0.253) 2.044 3.191 ( -0.000 4.978 -15.058) 15.860 3.274 ( 0.000 1.491 6.358) 6.531 3.379 ( -0.000 4.515 -7.058) 8.379 3.598 ( -0.000 -5.358 -0.992) 5.449 3.755 ( -0.000 0.192 -2.101) 2.109 4.082 ( 0.000 -0.869 3.883) 3.979 4.133 ( -0.000 2.467 -0.670) 2.556 4.222 ( 0.000 0.363 0.990) 1.054 4.224 ( -0.000 0.113 -3.662) 3.664 4.441 ( -0.000 -4.584 -1.751) 4.907 4.464 ( 0.000 -2.485 0.022) 2.485 4.511 ( 0.000 -6.696 2.564) 7.170 4.628 ( 0.000 -0.813 0.374) 0.895 4.931 ( -0.000 0.597 -2.805) 2.868 5.132 ( -0.000 10.322 -1.545) 10.437 5.917 ( 0.000 0.270 0.577) 0.636 6.231 ( 0.000 -0.886 1.136) 1.440 6.251 ( -0.000 0.635 -0.548) 0.839 6.379 ( -0.000 0.139 -0.399) 0.423 6.776 ( -0.000 0.689 -1.891) 2.013 6.781 ( 0.000 1.686 1.216) 2.079 8.779 ( -0.000 -0.534 -0.456) 0.702 8.790 ( 0.000 0.504 0.551) 0.747 9.017 ( 0.000 -1.713 0.376) 1.754 9.098 ( 0.000 -0.067 1.349) 1.351 9.121 ( -0.000 1.554 -2.575) 3.007 9.852 ( 0.000 -2.545 7.008) 7.456 9.863 ( 0.000 -2.794 3.126) 4.193 9.983 ( 0.000 -5.002 5.763) 7.632 10.030 ( -0.000 -2.315 -6.849) 7.229 10.054 ( -0.000 1.712 -7.979) 8.161 11.069 ( 0.000 -13.303 1.999) 13.452 11.264 ( 0.000 -0.433 3.693) 3.718 11.384 ( -0.000 -17.508 -2.321) 17.662 11.571 ( 0.000 -0.745 -0.025) 0.746 11.584 ( 0.000 1.152 1.455) 1.856 11.736 ( -0.000 1.670 -4.407) 4.712 11.786 ( 0.000 0.297 1.689) 1.715 11.844 ( -0.000 7.614 -1.464) 7.754 12.119 ( 0.000 -0.072 1.418) 1.420 12.366 ( -0.000 15.392 -0.014) 15.392 12.465 ( 0.000 3.061 1.427) 3.377 13.339 ( -0.000 0.819 -0.650) 1.046 16.262 ( 0.000 -0.075 1.875) 1.876 16.372 ( -0.000 -2.347 -1.852) 2.990 16.777 ( 0.000 0.115 1.255) 1.260 16.979 ( -0.000 15.222 -0.880) 15.247 17.492 ( 0.000 -0.244 0.455) 0.516 17.504 ( -0.000 1.138 -1.086) 1.573 19.246 ( -0.000 -5.969 -0.578) 5.997 20.300 ( 0.000 -12.997 0.037) 12.997 ======================= Grid point 475 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 8.064 13.968 -0.000) 16.129 1.783 ( 8.193 14.191 0.000) 16.387 1.878 ( 8.125 14.072 0.000) 16.249 1.914 ( 10.440 18.082 0.000) 20.879 2.337 ( 2.753 4.769 -0.000) 5.506 2.410 ( 3.589 6.216 -0.000) 7.177 2.794 ( 1.268 2.196 -0.000) 2.535 2.961 ( -2.204 -3.818 -0.000) 4.408 3.192 ( 3.184 5.515 -0.000) 6.368 3.234 ( 2.647 4.585 0.000) 5.294 3.297 ( 0.425 0.736 -0.000) 0.850 3.431 ( 0.881 1.526 -0.000) 1.762 3.524 ( -1.093 -1.893 -0.000) 2.186 3.755 ( 0.222 0.385 -0.000) 0.444 4.097 ( 0.089 0.153 -0.000) 0.177 4.137 ( -0.058 -0.100 0.000) 0.116 4.218 ( -1.145 -1.983 -0.000) 2.290 4.223 ( 0.438 0.759 0.000) 0.877 4.357 ( -3.186 -5.519 -0.000) 6.372 4.388 ( -1.381 -2.392 -0.000) 2.763 4.477 ( -1.039 -1.799 -0.000) 2.077 4.612 ( -0.687 -1.189 -0.000) 1.373 4.928 ( -0.355 -0.614 -0.000) 0.709 5.243 ( 2.243 3.885 0.000) 4.486 5.923 ( 0.175 0.302 -0.000) 0.349 6.225 ( -0.315 -0.546 -0.000) 0.630 6.251 ( 0.042 0.073 -0.000) 0.084 6.382 ( 0.196 0.340 -0.000) 0.392 6.778 ( 0.305 0.529 -0.000) 0.610 6.820 ( 1.304 2.259 -0.000) 2.608 8.771 ( -0.171 -0.297 -0.000) 0.343 8.795 ( -0.110 -0.191 -0.000) 0.221 8.990 ( -0.943 -1.634 -0.000) 1.887 9.124 ( 0.716 1.240 0.000) 1.432 9.124 ( 0.521 0.903 -0.000) 1.042 9.799 ( -2.894 -5.012 -0.000) 5.787 9.824 ( -1.895 -3.282 -0.000) 3.789 9.897 ( -3.874 -6.710 -0.000) 7.748 9.994 ( -1.280 -2.218 0.000) 2.561 10.046 ( 0.716 1.241 -0.000) 1.432 10.916 ( -3.561 -6.167 -0.000) 7.121 11.099 ( -6.601 -11.433 -0.000) 13.202 11.343 ( 0.551 0.954 -0.000) 1.102 11.500 ( -1.363 -2.360 -0.000) 2.725 11.636 ( 1.133 1.963 -0.000) 2.266 11.736 ( 0.321 0.556 -0.000) 0.642 11.775 ( -1.170 -2.026 -0.000) 2.340 11.961 ( 4.095 7.093 -0.000) 8.190 12.124 ( 0.193 0.335 -0.000) 0.387 12.526 ( 2.168 3.756 -0.000) 4.337 12.580 ( 6.142 10.639 -0.000) 12.285 13.358 ( 0.912 1.579 -0.000) 1.824 16.266 ( 0.156 0.270 0.000) 0.312 16.348 ( -0.235 -0.408 -0.000) 0.471 16.792 ( 0.504 0.873 -0.000) 1.008 17.199 ( 6.620 11.467 -0.000) 13.241 17.472 ( -1.301 -2.254 -0.000) 2.603 17.537 ( 1.749 3.030 0.000) 3.499 19.137 ( -3.952 -6.846 -0.000) 7.905 20.065 ( -8.684 -15.042 -0.000) 17.369 ======================= Grid point 586 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 -0.000 0.000) 0.000 1.442 ( 0.000 -0.000 0.000) 0.000 1.467 ( -0.000 0.000 -0.000) 0.000 1.467 ( -0.000 0.000 -0.000) 0.000 2.247 ( 0.000 -0.000 0.000) 0.000 2.247 ( 0.000 -0.000 0.000) 0.000 2.785 ( 0.000 -0.000 0.000) 0.000 3.074 ( -0.000 0.000 -0.000) 0.000 3.101 ( 0.000 -0.000 0.000) 0.000 3.101 ( 0.000 -0.000 0.000) 0.000 3.282 ( 0.000 -0.000 0.000) 0.000 3.290 ( -0.000 0.000 -0.000) 0.000 3.662 ( 0.000 -0.000 0.000) 0.000 3.750 ( 0.000 -0.000 0.000) 0.000 4.100 ( 0.000 -0.000 0.000) 0.000 4.100 ( 0.000 -0.000 0.000) 0.000 4.214 ( -0.000 0.000 -0.000) 0.000 4.214 ( -0.000 0.000 -0.000) 0.000 4.490 ( 0.000 -0.000 0.000) 0.000 4.490 ( 0.000 -0.000 0.000) 0.000 4.638 ( 0.000 -0.000 0.000) 0.000 4.638 ( 0.000 -0.000 0.000) 0.000 4.914 ( -0.000 0.000 -0.000) 0.000 4.968 ( 0.000 -0.000 0.000) 0.000 5.915 ( 0.000 -0.000 0.000) 0.000 6.243 ( 0.000 -0.000 0.000) 0.000 6.243 ( 0.000 -0.000 0.000) 0.000 6.378 ( 0.000 -0.000 0.000) 0.000 6.765 ( 0.000 -0.000 0.000) 0.000 6.765 ( 0.000 -0.000 0.000) 0.000 8.783 ( 0.000 -0.000 0.000) 0.000 8.783 ( 0.000 -0.000 0.000) 0.000 9.037 ( 0.000 -0.000 0.000) 0.000 9.102 ( 0.000 -0.000 0.000) 0.000 9.102 ( 0.000 -0.000 0.000) 0.000 9.898 ( 0.000 -0.000 0.000) 0.000 9.898 ( 0.000 -0.000 0.000) 0.000 10.015 ( -0.000 0.000 -0.000) 0.000 10.015 ( -0.000 0.000 -0.000) 0.000 10.065 ( 0.000 -0.000 0.000) 0.000 11.275 ( 0.000 -0.000 0.000) 0.000 11.275 ( 0.000 -0.000 0.000) 0.000 11.585 ( 0.000 -0.000 0.000) 0.000 11.585 ( 0.000 -0.000 0.000) 0.000 11.657 ( 0.000 -0.000 0.000) 0.000 11.705 ( 0.000 -0.000 0.000) 0.000 11.705 ( 0.000 -0.000 0.000) 0.000 11.778 ( 0.000 -0.000 0.000) 0.000 12.122 ( 0.000 -0.000 0.000) 0.000 12.122 ( 0.000 -0.000 0.000) 0.000 12.438 ( 0.000 -0.000 0.000) 0.000 13.330 ( 0.000 -0.000 0.000) 0.000 16.268 ( -0.000 0.000 -0.000) 0.000 16.415 ( 0.000 -0.000 0.000) 0.000 16.778 ( 0.000 -0.000 0.000) 0.000 16.778 ( 0.000 -0.000 0.000) 0.000 17.490 ( 0.000 -0.000 0.000) 0.000 17.490 ( 0.000 -0.000 0.000) 0.000 19.314 ( 0.000 -0.000 0.000) 0.000 20.445 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/60000 10.0 1625.146 1625.146 2669.879 0.000 0.000 0.000 3/60000 20.0 171.259 171.259 172.479 0.000 0.000 0.000 3/60000 30.0 51.418 51.418 50.308 0.000 0.000 0.000 3/60000 40.0 26.894 26.894 26.309 0.000 0.000 0.000 3/60000 50.0 17.487 17.487 17.139 0.000 0.000 0.000 3/60000 60.0 12.687 12.687 12.458 0.000 0.000 0.000 3/60000 70.0 9.830 9.830 9.674 0.000 0.000 0.000 3/60000 80.0 7.960 7.960 7.855 0.000 0.000 0.000 3/60000 90.0 6.654 6.654 6.587 0.000 0.000 0.000 3/60000 100.0 5.699 5.699 5.661 0.000 0.000 0.000 3/60000 110.0 4.975 4.975 4.960 0.000 0.000 0.000 3/60000 120.0 4.411 4.411 4.412 0.000 0.000 0.000 3/60000 130.0 3.961 3.961 3.975 0.000 0.000 0.000 3/60000 140.0 3.594 3.594 3.618 0.000 0.000 0.000 3/60000 150.0 3.291 3.291 3.321 0.000 0.000 0.000 3/60000 160.0 3.037 3.037 3.071 0.000 0.000 0.000 3/60000 170.0 2.820 2.820 2.858 0.000 0.000 0.000 3/60000 180.0 2.634 2.634 2.673 0.000 0.000 0.000 3/60000 190.0 2.472 2.472 2.512 0.000 0.000 0.000 3/60000 200.0 2.330 2.330 2.370 0.000 0.000 0.000 3/60000 210.0 2.205 2.205 2.244 0.000 0.000 0.000 3/60000 220.0 2.093 2.093 2.132 0.000 0.000 0.000 3/60000 230.0 1.993 1.993 2.030 0.000 0.000 0.000 3/60000 240.0 1.902 1.902 1.939 0.000 0.000 0.000 3/60000 250.0 1.820 1.820 1.855 0.000 0.000 0.000 3/60000 260.0 1.745 1.745 1.779 0.000 0.000 0.000 3/60000 270.0 1.677 1.677 1.709 0.000 0.000 0.000 3/60000 280.0 1.614 1.614 1.645 0.000 0.000 0.000 3/60000 290.0 1.555 1.555 1.585 0.000 0.000 0.000 3/60000 300.0 1.502 1.502 1.530 0.000 0.000 0.000 3/60000 310.0 1.451 1.451 1.479 0.000 0.000 0.000 3/60000 320.0 1.405 1.405 1.431 0.000 0.000 0.000 3/60000 330.0 1.361 1.361 1.386 0.000 0.000 0.000 3/60000 340.0 1.320 1.320 1.344 0.000 0.000 0.000 3/60000 350.0 1.282 1.282 1.304 0.000 0.000 0.000 3/60000 360.0 1.245 1.245 1.267 0.000 0.000 0.000 3/60000 370.0 1.211 1.211 1.232 0.000 0.000 0.000 3/60000 380.0 1.179 1.179 1.199 0.000 0.000 0.000 3/60000 390.0 1.148 1.148 1.167 0.000 0.000 0.000 3/60000 400.0 1.119 1.119 1.138 0.000 0.000 0.000 3/60000 410.0 1.092 1.092 1.109 0.000 0.000 0.000 3/60000 420.0 1.066 1.066 1.083 0.000 0.000 0.000 3/60000 430.0 1.041 1.041 1.057 0.000 0.000 0.000 3/60000 440.0 1.017 1.017 1.033 0.000 0.000 0.000 3/60000 450.0 0.994 0.994 1.009 0.000 0.000 0.000 3/60000 460.0 0.973 0.973 0.987 0.000 0.000 0.000 3/60000 470.0 0.952 0.952 0.966 0.000 0.000 0.000 3/60000 480.0 0.932 0.932 0.946 0.000 0.000 0.000 3/60000 490.0 0.913 0.913 0.926 0.000 0.000 0.000 3/60000 500.0 0.895 0.895 0.908 0.000 0.000 0.000 3/60000 510.0 0.877 0.877 0.890 0.000 0.000 0.000 3/60000 520.0 0.861 0.861 0.872 0.000 0.000 0.000 3/60000 530.0 0.844 0.844 0.856 0.000 0.000 0.000 3/60000 540.0 0.829 0.829 0.840 0.000 0.000 0.000 3/60000 550.0 0.814 0.814 0.824 0.000 0.000 0.000 3/60000 560.0 0.799 0.799 0.810 0.000 0.000 0.000 3/60000 570.0 0.785 0.785 0.795 0.000 0.000 0.000 3/60000 580.0 0.772 0.772 0.782 0.000 0.000 0.000 3/60000 590.0 0.759 0.759 0.768 0.000 0.000 0.000 3/60000 600.0 0.746 0.746 0.755 0.000 0.000 0.000 3/60000 610.0 0.734 0.734 0.743 0.000 0.000 0.000 3/60000 620.0 0.722 0.722 0.731 0.000 0.000 0.000 3/60000 630.0 0.711 0.711 0.719 0.000 0.000 0.000 3/60000 640.0 0.700 0.700 0.708 0.000 0.000 0.000 3/60000 650.0 0.689 0.689 0.697 0.000 0.000 0.000 3/60000 660.0 0.679 0.679 0.687 0.000 0.000 0.000 3/60000 670.0 0.669 0.669 0.676 0.000 0.000 0.000 3/60000 680.0 0.659 0.659 0.666 0.000 0.000 0.000 3/60000 690.0 0.649 0.649 0.657 0.000 0.000 0.000 3/60000 700.0 0.640 0.640 0.647 0.000 0.000 0.000 3/60000 710.0 0.631 0.631 0.638 0.000 0.000 0.000 3/60000 720.0 0.622 0.622 0.629 0.000 0.000 0.000 3/60000 730.0 0.614 0.614 0.621 0.000 0.000 0.000 3/60000 740.0 0.606 0.606 0.612 0.000 0.000 0.000 3/60000 750.0 0.598 0.598 0.604 0.000 0.000 0.000 3/60000 760.0 0.590 0.590 0.596 0.000 0.000 0.000 3/60000 770.0 0.582 0.582 0.588 0.000 0.000 0.000 3/60000 780.0 0.575 0.575 0.581 0.000 0.000 0.000 3/60000 790.0 0.567 0.567 0.573 0.000 0.000 0.000 3/60000 800.0 0.560 0.560 0.566 0.000 0.000 0.000 3/60000 810.0 0.553 0.553 0.559 0.000 0.000 0.000 3/60000 820.0 0.547 0.547 0.552 0.000 0.000 0.000 3/60000 830.0 0.540 0.540 0.546 0.000 0.000 0.000 3/60000 840.0 0.534 0.534 0.539 0.000 0.000 0.000 3/60000 850.0 0.528 0.528 0.533 0.000 0.000 0.000 3/60000 860.0 0.521 0.521 0.527 0.000 0.000 0.000 3/60000 870.0 0.515 0.515 0.521 0.000 0.000 0.000 3/60000 880.0 0.510 0.510 0.515 0.000 0.000 0.000 3/60000 890.0 0.504 0.504 0.509 0.000 0.000 0.000 3/60000 900.0 0.498 0.498 0.503 0.000 0.000 0.000 3/60000 910.0 0.493 0.493 0.498 0.000 0.000 0.000 3/60000 920.0 0.488 0.488 0.492 0.000 0.000 0.000 3/60000 930.0 0.482 0.482 0.487 0.000 0.000 0.000 3/60000 940.0 0.477 0.477 0.482 0.000 0.000 0.000 3/60000 950.0 0.472 0.472 0.477 0.000 0.000 0.000 3/60000 960.0 0.467 0.467 0.472 0.000 0.000 0.000 3/60000 970.0 0.463 0.463 0.467 0.000 0.000 0.000 3/60000 980.0 0.458 0.458 0.462 0.000 0.000 0.000 3/60000 990.0 0.453 0.453 0.458 0.000 0.000 0.000 3/60000 1000.0 0.449 0.449 0.453 0.000 0.000 0.000 3/60000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:38:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|