----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:52:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.924560440055845 0.000000000000000 0.000000000000000 b 0.000000000000000 7.591648579999998 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): *1 P 0.62410997872120 0.60890916141586 0.06435028989013 30.974 2 P 0.62410997872120 0.89109083858414 0.56435028989013 30.974 3 P 0.37589002127880 0.39109083858414 0.93564971010987 30.974 4 P 0.37589002127880 0.10890916141586 0.43564971010987 30.974 *5 Se 0.22135404168869 0.20724736929288 0.54546792103304 78.960 *6 Se 0.61435446345980 0.18978497759098 0.94616311019956 78.960 7 Se 0.61435446345980 0.31021502240902 0.44616311019956 78.960 8 Se 0.77864595831131 0.70724736929288 0.95453207896696 78.960 *9 Se 0.87945575720246 0.49654011357265 0.27173906554848 78.960 10 Se 0.87945575720246 0.00345988642735 0.77173906554848 78.960 11 Se 0.38564553654020 0.81021502240902 0.05383688980044 78.960 12 Se 0.77864595831131 0.79275263070712 0.45453207896696 78.960 13 Se 0.12054424279754 0.50345988642735 0.72826093445152 78.960 14 Se 0.38564553654020 0.68978497759098 0.55383688980044 78.960 15 Se 0.12054424279754 0.99654011357265 0.22826093445152 78.960 16 Se 0.22135404168869 0.29275263070712 0.04546792103304 78.960 *17 Pb 0.71678483822291 0.11018068696995 0.25156064682517 207.200 18 Pb 0.28321516177709 0.61018068696995 0.24843935317483 207.200 19 Pb 0.28321516177709 0.88981931303005 0.74843935317483 207.200 20 Pb 0.71678483822291 0.38981931303005 0.75156064682517 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.924560440055845 0.000000000000000 0.000000000000000 b 0.000000000000000 7.591648579999998 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): *1 P 0.62410997872120 0.60890916141586 0.06435028989013 30.974 > 1 2 P 0.62410997872120 0.89109083858414 0.56435028989013 30.974 > 2 3 P 0.37589002127880 0.39109083858414 0.93564971010987 30.974 > 3 4 P 0.37589002127880 0.10890916141586 0.43564971010987 30.974 > 4 *5 Se 0.22135404168869 0.20724736929288 0.54546792103304 78.960 > 5 *6 Se 0.61435446345980 0.18978497759098 0.94616311019956 78.960 > 6 7 Se 0.61435446345980 0.31021502240902 0.44616311019956 78.960 > 7 8 Se 0.77864595831131 0.70724736929288 0.95453207896696 78.960 > 8 *9 Se 0.87945575720246 0.49654011357265 0.27173906554848 78.960 > 9 10 Se 0.87945575720246 0.00345988642735 0.77173906554848 78.960 > 10 11 Se 0.38564553654020 0.81021502240902 0.05383688980044 78.960 > 11 12 Se 0.77864595831131 0.79275263070712 0.45453207896696 78.960 > 12 13 Se 0.12054424279754 0.50345988642735 0.72826093445152 78.960 > 13 14 Se 0.38564553654020 0.68978497759098 0.55383688980044 78.960 > 14 15 Se 0.12054424279754 0.99654011357265 0.22826093445152 78.960 > 15 16 Se 0.22135404168869 0.29275263070712 0.04546792103304 78.960 > 16 *17 Pb 0.71678483822291 0.11018068696995 0.25156064682517 207.200 > 17 18 Pb 0.28321516177709 0.61018068696995 0.24843935317483 207.200 > 18 19 Pb 0.28321516177709 0.88981931303005 0.74843935317483 207.200 > 19 20 Pb 0.71678483822291 0.38981931303005 0.75156064682517 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.849120880111689 0.000000000000000 0.000000000000000 b 0.000000000000000 15.183297159999997 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): *1 P 0.31205498936060 0.30445458070793 0.06435028989013 30.974 > 1 2 P 0.81205498936060 0.30445458070793 0.06435028989013 30.974 > 1 3 P 0.31205498936060 0.80445458070793 0.06435028989013 30.974 > 1 4 P 0.81205498936060 0.80445458070793 0.06435028989013 30.974 > 1 5 P 0.31205498936060 0.44554541929207 0.56435028989013 30.974 > 2 6 P 0.81205498936060 0.44554541929207 0.56435028989013 30.974 > 2 7 P 0.31205498936060 0.94554541929207 0.56435028989013 30.974 > 2 8 P 0.81205498936060 0.94554541929207 0.56435028989013 30.974 > 2 9 P 0.18794501063940 0.19554541929207 0.93564971010987 30.974 > 3 10 P 0.68794501063940 0.19554541929207 0.93564971010987 30.974 > 3 11 P 0.18794501063940 0.69554541929207 0.93564971010987 30.974 > 3 12 P 0.68794501063940 0.69554541929207 0.93564971010987 30.974 > 3 13 P 0.18794501063940 0.05445458070793 0.43564971010987 30.974 > 4 14 P 0.68794501063940 0.05445458070793 0.43564971010987 30.974 > 4 15 P 0.18794501063940 0.55445458070793 0.43564971010987 30.974 > 4 16 P 0.68794501063940 0.55445458070793 0.43564971010987 30.974 > 4 *17 Se 0.11067702084434 0.10362368464644 0.54546792103304 78.960 > 5 18 Se 0.61067702084434 0.10362368464644 0.54546792103304 78.960 > 5 19 Se 0.11067702084434 0.60362368464644 0.54546792103304 78.960 > 5 20 Se 0.61067702084434 0.60362368464644 0.54546792103304 78.960 > 5 *21 Se 0.30717723172990 0.09489248879549 0.94616311019956 78.960 > 6 22 Se 0.80717723172990 0.09489248879549 0.94616311019956 78.960 > 6 23 Se 0.30717723172990 0.59489248879549 0.94616311019956 78.960 > 6 24 Se 0.80717723172990 0.59489248879549 0.94616311019956 78.960 > 6 25 Se 0.30717723172990 0.15510751120451 0.44616311019956 78.960 > 7 26 Se 0.80717723172990 0.15510751120451 0.44616311019956 78.960 > 7 27 Se 0.30717723172990 0.65510751120451 0.44616311019956 78.960 > 7 28 Se 0.80717723172990 0.65510751120451 0.44616311019956 78.960 > 7 29 Se 0.38932297915566 0.35362368464644 0.95453207896696 78.960 > 8 30 Se 0.88932297915566 0.35362368464644 0.95453207896696 78.960 > 8 31 Se 0.38932297915566 0.85362368464644 0.95453207896696 78.960 > 8 32 Se 0.88932297915566 0.85362368464644 0.95453207896696 78.960 > 8 *33 Se 0.43972787860123 0.24827005678633 0.27173906554848 78.960 > 9 34 Se 0.93972787860123 0.24827005678633 0.27173906554848 78.960 > 9 35 Se 0.43972787860123 0.74827005678633 0.27173906554848 78.960 > 9 36 Se 0.93972787860123 0.74827005678633 0.27173906554848 78.960 > 9 37 Se 0.43972787860123 0.00172994321367 0.77173906554848 78.960 > 10 38 Se 0.93972787860123 0.00172994321367 0.77173906554848 78.960 > 10 39 Se 0.43972787860123 0.50172994321367 0.77173906554848 78.960 > 10 40 Se 0.93972787860123 0.50172994321367 0.77173906554848 78.960 > 10 41 Se 0.19282276827010 0.40510751120451 0.05383688980044 78.960 > 11 42 Se 0.69282276827010 0.40510751120451 0.05383688980044 78.960 > 11 43 Se 0.19282276827010 0.90510751120451 0.05383688980044 78.960 > 11 44 Se 0.69282276827010 0.90510751120451 0.05383688980044 78.960 > 11 45 Se 0.38932297915566 0.39637631535356 0.45453207896696 78.960 > 12 46 Se 0.88932297915566 0.39637631535356 0.45453207896696 78.960 > 12 47 Se 0.38932297915566 0.89637631535356 0.45453207896696 78.960 > 12 48 Se 0.88932297915566 0.89637631535356 0.45453207896696 78.960 > 12 49 Se 0.06027212139877 0.25172994321367 0.72826093445152 78.960 > 13 50 Se 0.56027212139877 0.25172994321367 0.72826093445152 78.960 > 13 51 Se 0.06027212139877 0.75172994321367 0.72826093445152 78.960 > 13 52 Se 0.56027212139877 0.75172994321367 0.72826093445152 78.960 > 13 53 Se 0.19282276827010 0.34489248879549 0.55383688980044 78.960 > 14 54 Se 0.69282276827010 0.34489248879549 0.55383688980044 78.960 > 14 55 Se 0.19282276827010 0.84489248879549 0.55383688980044 78.960 > 14 56 Se 0.69282276827010 0.84489248879549 0.55383688980044 78.960 > 14 57 Se 0.06027212139877 0.49827005678633 0.22826093445152 78.960 > 15 58 Se 0.56027212139877 0.49827005678633 0.22826093445152 78.960 > 15 59 Se 0.06027212139877 0.99827005678633 0.22826093445152 78.960 > 15 60 Se 0.56027212139877 0.99827005678633 0.22826093445152 78.960 > 15 61 Se 0.11067702084434 0.14637631535356 0.04546792103304 78.960 > 16 62 Se 0.61067702084434 0.14637631535356 0.04546792103304 78.960 > 16 63 Se 0.11067702084434 0.64637631535356 0.04546792103304 78.960 > 16 64 Se 0.61067702084434 0.64637631535356 0.04546792103304 78.960 > 16 *65 Pb 0.35839241911145 0.05509034348498 0.25156064682517 207.200 > 17 66 Pb 0.85839241911145 0.05509034348498 0.25156064682517 207.200 > 17 67 Pb 0.35839241911145 0.55509034348498 0.25156064682517 207.200 > 17 68 Pb 0.85839241911145 0.55509034348498 0.25156064682517 207.200 > 17 69 Pb 0.14160758088855 0.30509034348498 0.24843935317483 207.200 > 18 70 Pb 0.64160758088855 0.30509034348498 0.24843935317483 207.200 > 18 71 Pb 0.14160758088855 0.80509034348498 0.24843935317483 207.200 > 18 72 Pb 0.64160758088855 0.80509034348498 0.24843935317483 207.200 > 18 73 Pb 0.14160758088855 0.44490965651502 0.74843935317483 207.200 > 19 74 Pb 0.64160758088855 0.44490965651502 0.74843935317483 207.200 > 19 75 Pb 0.14160758088855 0.94490965651502 0.74843935317483 207.200 > 19 76 Pb 0.64160758088855 0.94490965651502 0.74843935317483 207.200 > 19 77 Pb 0.35839241911145 0.19490965651502 0.75156064682517 207.200 > 20 78 Pb 0.85839241911145 0.19490965651502 0.75156064682517 207.200 > 20 79 Pb 0.35839241911145 0.69490965651502 0.75156064682517 207.200 > 20 80 Pb 0.85839241911145 0.69490965651502 0.75156064682517 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.2438248 0.0000000 -0.0170292 0.0000000 11.7090533 0.0000000 -0.0170272 0.0000000 12.4999077 -------------------------- Born effective charges -------------------------- 1 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 2 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 3 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 4 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 5 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 6 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 7 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 8 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 9 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 10 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 11 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 12 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 13 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 14 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 15 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 16 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 17 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 18 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 19 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 20 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.264 Solver_block: 200 / 640 - Time: 2.237 Solver_block: 300 / 640 - Time: 2.246 Solver_block: 400 / 640 - Time: 2.204 Solver_block: 500 / 640 - Time: 2.286 Solver_block: 600 / 640 - Time: 2.207 Solver_block: 640 / 640 - Time: 0.966 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.718 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 391), data: True |-- (400, 390), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 04:53:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:53:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.924560440055845 0.000000000000000 0.000000000000000 b 0.000000000000000 7.591648579999998 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): 1 P 0.62410997872120 0.60890916141586 0.06435028989013 30.974 2 P 0.62410997872120 0.89109083858414 0.56435028989013 30.974 3 P 0.37589002127880 0.39109083858414 0.93564971010987 30.974 4 P 0.37589002127880 0.10890916141586 0.43564971010987 30.974 5 Se 0.22135404168869 0.20724736929288 0.54546792103304 78.960 6 Se 0.61435446345980 0.18978497759098 0.94616311019956 78.960 7 Se 0.61435446345980 0.31021502240902 0.44616311019956 78.960 8 Se 0.77864595831131 0.70724736929288 0.95453207896696 78.960 9 Se 0.87945575720246 0.49654011357265 0.27173906554848 78.960 10 Se 0.87945575720246 0.00345988642735 0.77173906554848 78.960 11 Se 0.38564553654020 0.81021502240902 0.05383688980044 78.960 12 Se 0.77864595831131 0.79275263070712 0.45453207896696 78.960 13 Se 0.12054424279754 0.50345988642735 0.72826093445152 78.960 14 Se 0.38564553654020 0.68978497759098 0.55383688980044 78.960 15 Se 0.12054424279754 0.99654011357265 0.22826093445152 78.960 16 Se 0.22135404168869 0.29275263070712 0.04546792103304 78.960 17 Pb 0.71678483822291 0.11018068696995 0.25156064682517 207.200 18 Pb 0.28321516177709 0.61018068696995 0.24843935317483 207.200 19 Pb 0.28321516177709 0.88981931303005 0.74843935317483 207.200 20 Pb 0.71678483822291 0.38981931303005 0.75156064682517 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.849120880111689 0.000000000000000 0.000000000000000 b 0.000000000000000 15.183297159999997 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): 1 P 0.31205498936060 0.30445458070793 0.06435028989013 30.974 > 1 2 P 0.81205498936060 0.30445458070793 0.06435028989013 30.974 > 1 3 P 0.31205498936060 0.80445458070793 0.06435028989013 30.974 > 1 4 P 0.81205498936060 0.80445458070793 0.06435028989013 30.974 > 1 5 P 0.31205498936060 0.44554541929207 0.56435028989013 30.974 > 5 6 P 0.81205498936060 0.44554541929207 0.56435028989013 30.974 > 5 7 P 0.31205498936060 0.94554541929207 0.56435028989013 30.974 > 5 8 P 0.81205498936060 0.94554541929207 0.56435028989013 30.974 > 5 9 P 0.18794501063940 0.19554541929207 0.93564971010987 30.974 > 9 10 P 0.68794501063940 0.19554541929207 0.93564971010987 30.974 > 9 11 P 0.18794501063940 0.69554541929207 0.93564971010987 30.974 > 9 12 P 0.68794501063940 0.69554541929207 0.93564971010987 30.974 > 9 13 P 0.18794501063940 0.05445458070793 0.43564971010987 30.974 > 13 14 P 0.68794501063940 0.05445458070793 0.43564971010987 30.974 > 13 15 P 0.18794501063940 0.55445458070793 0.43564971010987 30.974 > 13 16 P 0.68794501063940 0.55445458070793 0.43564971010987 30.974 > 13 17 Se 0.11067702084434 0.10362368464644 0.54546792103304 78.960 > 17 18 Se 0.61067702084434 0.10362368464644 0.54546792103304 78.960 > 17 19 Se 0.11067702084434 0.60362368464644 0.54546792103304 78.960 > 17 20 Se 0.61067702084434 0.60362368464644 0.54546792103304 78.960 > 17 21 Se 0.30717723172990 0.09489248879549 0.94616311019956 78.960 > 21 22 Se 0.80717723172990 0.09489248879549 0.94616311019956 78.960 > 21 23 Se 0.30717723172990 0.59489248879549 0.94616311019956 78.960 > 21 24 Se 0.80717723172990 0.59489248879549 0.94616311019956 78.960 > 21 25 Se 0.30717723172990 0.15510751120451 0.44616311019956 78.960 > 25 26 Se 0.80717723172990 0.15510751120451 0.44616311019956 78.960 > 25 27 Se 0.30717723172990 0.65510751120451 0.44616311019956 78.960 > 25 28 Se 0.80717723172990 0.65510751120451 0.44616311019956 78.960 > 25 29 Se 0.38932297915566 0.35362368464644 0.95453207896696 78.960 > 29 30 Se 0.88932297915566 0.35362368464644 0.95453207896696 78.960 > 29 31 Se 0.38932297915566 0.85362368464644 0.95453207896696 78.960 > 29 32 Se 0.88932297915566 0.85362368464644 0.95453207896696 78.960 > 29 33 Se 0.43972787860123 0.24827005678633 0.27173906554848 78.960 > 33 34 Se 0.93972787860123 0.24827005678633 0.27173906554848 78.960 > 33 35 Se 0.43972787860123 0.74827005678633 0.27173906554848 78.960 > 33 36 Se 0.93972787860123 0.74827005678633 0.27173906554848 78.960 > 33 37 Se 0.43972787860123 0.00172994321367 0.77173906554848 78.960 > 37 38 Se 0.93972787860123 0.00172994321367 0.77173906554848 78.960 > 37 39 Se 0.43972787860123 0.50172994321367 0.77173906554848 78.960 > 37 40 Se 0.93972787860123 0.50172994321367 0.77173906554848 78.960 > 37 41 Se 0.19282276827010 0.40510751120451 0.05383688980044 78.960 > 41 42 Se 0.69282276827010 0.40510751120451 0.05383688980044 78.960 > 41 43 Se 0.19282276827010 0.90510751120451 0.05383688980044 78.960 > 41 44 Se 0.69282276827010 0.90510751120451 0.05383688980044 78.960 > 41 45 Se 0.38932297915566 0.39637631535356 0.45453207896696 78.960 > 45 46 Se 0.88932297915566 0.39637631535356 0.45453207896696 78.960 > 45 47 Se 0.38932297915566 0.89637631535356 0.45453207896696 78.960 > 45 48 Se 0.88932297915566 0.89637631535356 0.45453207896696 78.960 > 45 49 Se 0.06027212139877 0.25172994321367 0.72826093445152 78.960 > 49 50 Se 0.56027212139877 0.25172994321367 0.72826093445152 78.960 > 49 51 Se 0.06027212139877 0.75172994321367 0.72826093445152 78.960 > 49 52 Se 0.56027212139877 0.75172994321367 0.72826093445152 78.960 > 49 53 Se 0.19282276827010 0.34489248879549 0.55383688980044 78.960 > 53 54 Se 0.69282276827010 0.34489248879549 0.55383688980044 78.960 > 53 55 Se 0.19282276827010 0.84489248879549 0.55383688980044 78.960 > 53 56 Se 0.69282276827010 0.84489248879549 0.55383688980044 78.960 > 53 57 Se 0.06027212139877 0.49827005678633 0.22826093445152 78.960 > 57 58 Se 0.56027212139877 0.49827005678633 0.22826093445152 78.960 > 57 59 Se 0.06027212139877 0.99827005678633 0.22826093445152 78.960 > 57 60 Se 0.56027212139877 0.99827005678633 0.22826093445152 78.960 > 57 61 Se 0.11067702084434 0.14637631535356 0.04546792103304 78.960 > 61 62 Se 0.61067702084434 0.14637631535356 0.04546792103304 78.960 > 61 63 Se 0.11067702084434 0.64637631535356 0.04546792103304 78.960 > 61 64 Se 0.61067702084434 0.64637631535356 0.04546792103304 78.960 > 61 65 Pb 0.35839241911145 0.05509034348498 0.25156064682517 207.200 > 65 66 Pb 0.85839241911145 0.05509034348498 0.25156064682517 207.200 > 65 67 Pb 0.35839241911145 0.55509034348498 0.25156064682517 207.200 > 65 68 Pb 0.85839241911145 0.55509034348498 0.25156064682517 207.200 > 65 69 Pb 0.14160758088855 0.30509034348498 0.24843935317483 207.200 > 69 70 Pb 0.64160758088855 0.30509034348498 0.24843935317483 207.200 > 69 71 Pb 0.14160758088855 0.80509034348498 0.24843935317483 207.200 > 69 72 Pb 0.64160758088855 0.80509034348498 0.24843935317483 207.200 > 69 73 Pb 0.14160758088855 0.44490965651502 0.74843935317483 207.200 > 73 74 Pb 0.64160758088855 0.44490965651502 0.74843935317483 207.200 > 73 75 Pb 0.14160758088855 0.94490965651502 0.74843935317483 207.200 > 73 76 Pb 0.64160758088855 0.94490965651502 0.74843935317483 207.200 > 73 77 Pb 0.35839241911145 0.19490965651502 0.75156064682517 207.200 > 77 78 Pb 0.85839241911145 0.19490965651502 0.75156064682517 207.200 > 77 79 Pb 0.35839241911145 0.69490965651502 0.75156064682517 207.200 > 77 80 Pb 0.85839241911145 0.69490965651502 0.75156064682517 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.2438248 0.0000000 -0.0170292 0.0000000 11.7090533 0.0000000 -0.0170272 0.0000000 12.4999077 -------------------------- Born effective charges -------------------------- 1 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 2 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 3 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 4 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 5 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 6 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 7 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 8 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 9 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 10 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 11 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 12 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 13 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 14 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 15 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 16 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 17 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 18 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 19 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 20 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yyz) -0.00000003 (yyz) -0.00000003 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) 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 04:53:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.924560440055845 0.000000000000000 0.000000000000000 b 0.000000000000000 7.591648579999998 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): 1 P 0.62410997872120 0.60890916141586 0.06435028989013 30.974 2 P 0.62410997872120 0.89109083858414 0.56435028989013 30.974 3 P 0.37589002127880 0.39109083858414 0.93564971010987 30.974 4 P 0.37589002127880 0.10890916141586 0.43564971010987 30.974 5 Se 0.22135404168869 0.20724736929288 0.54546792103304 78.960 6 Se 0.61435446345980 0.18978497759098 0.94616311019956 78.960 7 Se 0.61435446345980 0.31021502240902 0.44616311019956 78.960 8 Se 0.77864595831131 0.70724736929288 0.95453207896696 78.960 9 Se 0.87945575720246 0.49654011357265 0.27173906554848 78.960 10 Se 0.87945575720246 0.00345988642735 0.77173906554848 78.960 11 Se 0.38564553654020 0.81021502240902 0.05383688980044 78.960 12 Se 0.77864595831131 0.79275263070712 0.45453207896696 78.960 13 Se 0.12054424279754 0.50345988642735 0.72826093445152 78.960 14 Se 0.38564553654020 0.68978497759098 0.55383688980044 78.960 15 Se 0.12054424279754 0.99654011357265 0.22826093445152 78.960 16 Se 0.22135404168869 0.29275263070712 0.04546792103304 78.960 17 Pb 0.71678483822291 0.11018068696995 0.25156064682517 207.200 18 Pb 0.28321516177709 0.61018068696995 0.24843935317483 207.200 19 Pb 0.28321516177709 0.88981931303005 0.74843935317483 207.200 20 Pb 0.71678483822291 0.38981931303005 0.75156064682517 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.849120880111689 0.000000000000000 0.000000000000000 b 0.000000000000000 15.183297159999997 0.000000000000000 c -6.620863547841528 0.000000000000000 9.590749799766400 Atomic positions (fractional): 1 P 0.31205498936060 0.30445458070793 0.06435028989013 30.974 > 1 2 P 0.81205498936060 0.30445458070793 0.06435028989013 30.974 > 1 3 P 0.31205498936060 0.80445458070793 0.06435028989013 30.974 > 1 4 P 0.81205498936060 0.80445458070793 0.06435028989013 30.974 > 1 5 P 0.31205498936060 0.44554541929207 0.56435028989013 30.974 > 5 6 P 0.81205498936060 0.44554541929207 0.56435028989013 30.974 > 5 7 P 0.31205498936060 0.94554541929207 0.56435028989013 30.974 > 5 8 P 0.81205498936060 0.94554541929207 0.56435028989013 30.974 > 5 9 P 0.18794501063940 0.19554541929207 0.93564971010987 30.974 > 9 10 P 0.68794501063940 0.19554541929207 0.93564971010987 30.974 > 9 11 P 0.18794501063940 0.69554541929207 0.93564971010987 30.974 > 9 12 P 0.68794501063940 0.69554541929207 0.93564971010987 30.974 > 9 13 P 0.18794501063940 0.05445458070793 0.43564971010987 30.974 > 13 14 P 0.68794501063940 0.05445458070793 0.43564971010987 30.974 > 13 15 P 0.18794501063940 0.55445458070793 0.43564971010987 30.974 > 13 16 P 0.68794501063940 0.55445458070793 0.43564971010987 30.974 > 13 17 Se 0.11067702084434 0.10362368464644 0.54546792103304 78.960 > 17 18 Se 0.61067702084434 0.10362368464644 0.54546792103304 78.960 > 17 19 Se 0.11067702084434 0.60362368464644 0.54546792103304 78.960 > 17 20 Se 0.61067702084434 0.60362368464644 0.54546792103304 78.960 > 17 21 Se 0.30717723172990 0.09489248879549 0.94616311019956 78.960 > 21 22 Se 0.80717723172990 0.09489248879549 0.94616311019956 78.960 > 21 23 Se 0.30717723172990 0.59489248879549 0.94616311019956 78.960 > 21 24 Se 0.80717723172990 0.59489248879549 0.94616311019956 78.960 > 21 25 Se 0.30717723172990 0.15510751120451 0.44616311019956 78.960 > 25 26 Se 0.80717723172990 0.15510751120451 0.44616311019956 78.960 > 25 27 Se 0.30717723172990 0.65510751120451 0.44616311019956 78.960 > 25 28 Se 0.80717723172990 0.65510751120451 0.44616311019956 78.960 > 25 29 Se 0.38932297915566 0.35362368464644 0.95453207896696 78.960 > 29 30 Se 0.88932297915566 0.35362368464644 0.95453207896696 78.960 > 29 31 Se 0.38932297915566 0.85362368464644 0.95453207896696 78.960 > 29 32 Se 0.88932297915566 0.85362368464644 0.95453207896696 78.960 > 29 33 Se 0.43972787860123 0.24827005678633 0.27173906554848 78.960 > 33 34 Se 0.93972787860123 0.24827005678633 0.27173906554848 78.960 > 33 35 Se 0.43972787860123 0.74827005678633 0.27173906554848 78.960 > 33 36 Se 0.93972787860123 0.74827005678633 0.27173906554848 78.960 > 33 37 Se 0.43972787860123 0.00172994321367 0.77173906554848 78.960 > 37 38 Se 0.93972787860123 0.00172994321367 0.77173906554848 78.960 > 37 39 Se 0.43972787860123 0.50172994321367 0.77173906554848 78.960 > 37 40 Se 0.93972787860123 0.50172994321367 0.77173906554848 78.960 > 37 41 Se 0.19282276827010 0.40510751120451 0.05383688980044 78.960 > 41 42 Se 0.69282276827010 0.40510751120451 0.05383688980044 78.960 > 41 43 Se 0.19282276827010 0.90510751120451 0.05383688980044 78.960 > 41 44 Se 0.69282276827010 0.90510751120451 0.05383688980044 78.960 > 41 45 Se 0.38932297915566 0.39637631535356 0.45453207896696 78.960 > 45 46 Se 0.88932297915566 0.39637631535356 0.45453207896696 78.960 > 45 47 Se 0.38932297915566 0.89637631535356 0.45453207896696 78.960 > 45 48 Se 0.88932297915566 0.89637631535356 0.45453207896696 78.960 > 45 49 Se 0.06027212139877 0.25172994321367 0.72826093445152 78.960 > 49 50 Se 0.56027212139877 0.25172994321367 0.72826093445152 78.960 > 49 51 Se 0.06027212139877 0.75172994321367 0.72826093445152 78.960 > 49 52 Se 0.56027212139877 0.75172994321367 0.72826093445152 78.960 > 49 53 Se 0.19282276827010 0.34489248879549 0.55383688980044 78.960 > 53 54 Se 0.69282276827010 0.34489248879549 0.55383688980044 78.960 > 53 55 Se 0.19282276827010 0.84489248879549 0.55383688980044 78.960 > 53 56 Se 0.69282276827010 0.84489248879549 0.55383688980044 78.960 > 53 57 Se 0.06027212139877 0.49827005678633 0.22826093445152 78.960 > 57 58 Se 0.56027212139877 0.49827005678633 0.22826093445152 78.960 > 57 59 Se 0.06027212139877 0.99827005678633 0.22826093445152 78.960 > 57 60 Se 0.56027212139877 0.99827005678633 0.22826093445152 78.960 > 57 61 Se 0.11067702084434 0.14637631535356 0.04546792103304 78.960 > 61 62 Se 0.61067702084434 0.14637631535356 0.04546792103304 78.960 > 61 63 Se 0.11067702084434 0.64637631535356 0.04546792103304 78.960 > 61 64 Se 0.61067702084434 0.64637631535356 0.04546792103304 78.960 > 61 65 Pb 0.35839241911145 0.05509034348498 0.25156064682517 207.200 > 65 66 Pb 0.85839241911145 0.05509034348498 0.25156064682517 207.200 > 65 67 Pb 0.35839241911145 0.55509034348498 0.25156064682517 207.200 > 65 68 Pb 0.85839241911145 0.55509034348498 0.25156064682517 207.200 > 65 69 Pb 0.14160758088855 0.30509034348498 0.24843935317483 207.200 > 69 70 Pb 0.64160758088855 0.30509034348498 0.24843935317483 207.200 > 69 71 Pb 0.14160758088855 0.80509034348498 0.24843935317483 207.200 > 69 72 Pb 0.64160758088855 0.80509034348498 0.24843935317483 207.200 > 69 73 Pb 0.14160758088855 0.44490965651502 0.74843935317483 207.200 > 73 74 Pb 0.64160758088855 0.44490965651502 0.74843935317483 207.200 > 73 75 Pb 0.14160758088855 0.94490965651502 0.74843935317483 207.200 > 73 76 Pb 0.64160758088855 0.94490965651502 0.74843935317483 207.200 > 73 77 Pb 0.35839241911145 0.19490965651502 0.75156064682517 207.200 > 77 78 Pb 0.85839241911145 0.19490965651502 0.75156064682517 207.200 > 77 79 Pb 0.35839241911145 0.69490965651502 0.75156064682517 207.200 > 77 80 Pb 0.85839241911145 0.69490965651502 0.75156064682517 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.2438248 0.0000000 -0.0170292 0.0000000 11.7090533 0.0000000 -0.0170272 0.0000000 12.4999077 -------------------------- Born effective charges -------------------------- 1 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 2 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 3 P 1.8534448 -0.5819749 0.1558209 -1.0516518 1.5545696 -0.6698283 -0.4572416 -0.3354002 1.8464867 4 P 1.8534448 0.5819749 0.1558209 1.0516518 1.5545696 0.6698283 -0.4572416 0.3354002 1.8464867 5 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 6 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 7 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 8 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 9 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 10 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 11 Se -1.8149833 -0.0267702 0.7104038 0.4448608 -2.4965882 -0.1161510 0.8111539 -0.1204206 -2.0049391 12 Se -2.1098763 -0.7027841 -0.4697669 -0.6136637 -1.5166992 0.3012473 -0.2907710 0.2956376 -2.5975272 13 Se -2.1623366 -0.4797118 -0.0447489 -0.5989049 -1.8341846 0.1894566 -0.1017595 0.1749255 -1.7493491 14 Se -1.8149833 0.0267702 0.7104038 -0.4448608 -2.4965882 0.1161510 0.8111539 0.1204206 -2.0049391 15 Se -2.1623366 0.4797118 -0.0447489 0.5989049 -1.8341846 -0.1894566 -0.1017595 -0.1749255 -1.7493491 16 Se -2.1098763 0.7027841 -0.4697669 0.6136637 -1.5166992 -0.3012473 -0.2907710 -0.2956376 -2.5975272 17 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 18 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 19 Pb 4.2337513 0.0129009 -0.3517089 -0.0560234 4.2929025 -0.0438551 0.0386182 -0.5004832 4.5053288 20 Pb 4.2337513 -0.0129009 -0.3517089 0.0560234 4.2929025 0.0438551 0.0386182 0.5004832 4.5053288 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yyz) -0.00000003 (yyz) -0.00000003 (yzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] 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: 0.52, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 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 0.930 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.135 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.346 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.941 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.101 ( 0.000 0.000 0.000) 0.000 13.140 ( 0.000 0.000 0.000) 0.000 13.710 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 16.456 0.000 -2.265) 16.611 0.237 ( 8.509 0.000 9.182) 12.519 0.596 ( 19.634 0.000 21.973) 29.467 0.956 ( 1.737 0.000 2.165) 2.775 1.045 ( -1.380 0.000 -4.020) 4.250 1.131 ( -0.442 0.000 0.300) 0.534 1.138 ( -1.297 0.000 2.067) 2.441 1.283 ( -0.831 0.000 -3.374) 3.474 1.383 ( 0.685 0.000 0.799) 1.052 1.420 ( 1.623 0.000 0.389) 1.669 1.559 ( -0.555 0.000 -0.231) 0.601 1.572 ( -5.351 0.000 16.184) 17.045 1.827 ( -4.922 0.000 -2.043) 5.329 1.905 ( -0.604 0.000 -1.614) 1.723 2.038 ( 1.225 0.000 -3.891) 4.080 2.113 ( 2.787 0.000 -2.476) 3.728 2.135 ( -4.242 0.000 -0.790) 4.315 2.189 ( -0.270 0.000 -0.242) 0.363 2.314 ( -3.542 0.000 2.067) 4.101 2.329 ( -0.152 0.000 -0.528) 0.549 2.407 ( 1.455 0.000 0.921) 1.722 2.594 ( -2.117 0.000 -3.625) 4.198 2.617 ( -1.082 0.000 -2.940) 3.132 2.651 ( -1.597 0.000 1.095) 1.936 2.719 ( 4.931 0.000 -4.618) 6.755 2.770 ( 2.132 0.000 0.754) 2.261 2.804 ( -1.071 0.000 0.194) 1.089 2.976 ( -1.869 0.000 0.424) 1.916 3.155 ( 1.600 0.000 1.810) 2.416 3.297 ( -0.255 0.000 -0.900) 0.936 3.331 ( -3.510 0.000 1.627) 3.869 3.366 ( -1.906 0.000 -0.774) 2.057 3.436 ( 3.109 0.000 0.374) 3.131 3.566 ( 1.715 0.000 -1.475) 2.262 3.600 ( -1.617 0.000 2.413) 2.905 3.653 ( 0.472 0.000 1.563) 1.633 3.908 ( 1.540 0.000 -0.310) 1.571 3.952 ( 4.968 0.000 -4.083) 6.431 4.019 ( -0.269 0.000 2.461) 2.476 4.106 ( -5.058 0.000 -1.437) 5.258 4.203 ( 0.824 0.000 0.430) 0.929 4.299 ( 3.371 0.000 0.339) 3.388 4.359 ( 0.964 0.000 -0.472) 1.073 4.506 ( -1.070 0.000 -2.510) 2.729 4.944 ( -0.451 0.000 -0.861) 0.972 5.012 ( 0.890 0.000 0.481) 1.011 6.245 ( -0.150 0.000 0.625) 0.643 6.254 ( -0.684 0.000 -0.104) 0.692 8.369 ( -1.019 0.000 2.674) 2.861 8.375 ( -0.536 0.000 -0.665) 0.854 12.606 ( 3.438 0.000 -4.787) 5.893 12.703 ( 0.487 0.000 0.210) 0.530 12.722 ( 0.167 0.000 0.645) 0.666 12.755 ( 0.856 0.000 -0.409) 0.949 12.949 ( -0.561 0.000 -0.267) 0.621 13.108 ( 0.891 0.000 -0.026) 0.891 13.136 ( -0.030 0.000 -0.510) 0.510 13.192 ( -1.411 0.000 2.382) 2.768 13.717 ( 0.671 0.000 0.346) 0.755 13.807 ( 0.431 0.000 -0.089) 0.440 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 8.482 0.000 8.872) 12.275 0.478 ( 15.139 0.000 0.129) 15.140 0.954 ( -3.238 0.000 -5.816) 6.657 0.977 ( 4.372 0.000 2.570) 5.072 1.102 ( 8.695 0.000 5.005) 10.032 1.127 ( -1.977 0.000 1.318) 2.376 1.139 ( -0.137 0.000 9.633) 9.634 1.247 ( 2.299 0.000 -2.208) 3.188 1.383 ( -1.509 0.000 2.112) 2.595 1.456 ( 1.176 0.000 0.753) 1.397 1.530 ( -2.501 0.000 -0.749) 2.611 1.708 ( 2.609 0.000 10.494) 10.813 1.712 ( -6.140 0.000 -1.386) 6.294 1.879 ( 1.546 0.000 -2.743) 3.148 2.005 ( -0.964 0.000 -1.795) 2.038 2.076 ( -2.365 0.000 0.068) 2.366 2.092 ( -1.265 0.000 -8.255) 8.352 2.200 ( 3.822 0.000 0.484) 3.853 2.263 ( -3.221 0.000 -0.730) 3.302 2.332 ( 0.392 0.000 1.187) 1.250 2.445 ( 3.389 0.000 -1.165) 3.584 2.520 ( -3.759 0.000 -0.002) 3.759 2.566 ( -1.587 0.000 -2.203) 2.716 2.608 ( -4.821 0.000 0.117) 4.822 2.728 ( 2.033 0.000 -4.011) 4.497 2.774 ( -0.230 0.000 0.760) 0.794 2.843 ( 2.838 0.000 0.635) 2.908 2.934 ( -2.378 0.000 -1.601) 2.866 3.204 ( 1.410 0.000 2.010) 2.455 3.288 ( -1.729 0.000 1.578) 2.341 3.307 ( -1.982 0.000 1.781) 2.665 3.313 ( 0.442 0.000 -4.130) 4.154 3.488 ( 2.222 0.000 1.267) 2.558 3.553 ( -2.604 0.000 -0.531) 2.657 3.625 ( 1.541 0.000 2.210) 2.694 3.697 ( 1.687 0.000 3.108) 3.536 3.903 ( -0.900 0.000 -3.326) 3.446 3.974 ( 1.588 0.000 -1.890) 2.468 4.036 ( -2.223 0.000 1.074) 2.469 4.051 ( 0.610 0.000 2.505) 2.578 4.236 ( 1.999 0.000 1.408) 2.446 4.335 ( 1.206 0.000 -0.690) 1.390 4.367 ( 1.115 0.000 -1.253) 1.677 4.453 ( -0.660 0.000 -3.721) 3.779 4.921 ( -0.719 0.000 -1.479) 1.645 5.038 ( 1.095 0.000 1.015) 1.493 6.239 ( -0.996 0.000 -0.055) 0.998 6.252 ( -0.142 0.000 1.104) 1.113 8.353 ( -0.920 0.000 -1.068) 1.410 8.386 ( 0.081 0.000 1.660) 1.662 12.611 ( 1.814 0.000 -1.999) 2.700 12.710 ( 0.079 0.000 -0.014) 0.080 12.725 ( -0.072 0.000 -0.156) 0.172 12.779 ( 1.581 0.000 0.855) 1.798 12.930 ( -0.929 0.000 -0.998) 1.364 13.129 ( 1.783 0.000 -0.147) 1.790 13.130 ( 0.031 0.000 -0.497) 0.498 13.197 ( -0.899 0.000 1.773) 1.987 13.738 ( 1.241 0.000 0.674) 1.412 13.815 ( 0.723 0.000 -0.079) 0.727 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 7.277 0.000 7.075) 10.149 0.715 ( 11.579 0.000 3.220) 12.018 0.824 ( -4.074 0.000 -5.594) 6.920 1.023 ( 1.856 0.000 -1.369) 2.307 1.105 ( -1.636 0.000 0.425) 1.691 1.119 ( -0.133 0.000 0.994) 1.003 1.216 ( 0.919 0.000 0.449) 1.022 1.337 ( 2.528 0.000 -0.492) 2.576 1.406 ( -6.644 0.000 -1.711) 6.860 1.460 ( 1.473 0.000 8.707) 8.831 1.504 ( -0.269 0.000 -1.105) 1.138 1.625 ( -3.820 0.000 1.431) 4.079 1.826 ( 0.260 0.000 4.244) 4.252 1.906 ( 4.394 0.000 -1.697) 4.710 1.946 ( -2.632 0.000 -9.312) 9.677 2.009 ( 1.839 0.000 2.330) 2.968 2.052 ( -1.212 0.000 0.920) 1.522 2.216 ( -0.917 0.000 -1.053) 1.396 2.279 ( 4.476 0.000 -0.026) 4.476 2.356 ( -0.413 0.000 2.446) 2.480 2.483 ( 2.986 0.000 -1.462) 3.325 2.499 ( -4.912 0.000 -1.055) 5.024 2.499 ( -0.515 0.000 3.034) 3.077 2.543 ( -1.345 0.000 -1.056) 1.710 2.699 ( -0.097 0.000 -3.629) 3.631 2.775 ( -0.769 0.000 -0.088) 0.774 2.873 ( -2.412 0.000 -2.010) 3.140 2.888 ( 2.100 0.000 0.497) 2.158 3.241 ( 0.638 0.000 1.738) 1.851 3.273 ( -1.917 0.000 2.860) 3.443 3.299 ( -1.100 0.000 1.129) 1.576 3.317 ( 4.137 0.000 -3.819) 5.631 3.492 ( -3.865 0.000 -0.575) 3.908 3.534 ( 1.562 0.000 1.182) 1.959 3.668 ( 0.905 0.000 1.534) 1.781 3.764 ( 1.613 0.000 3.695) 4.032 3.825 ( -2.856 0.000 -3.280) 4.349 3.959 ( 0.528 0.000 -3.705) 3.742 4.037 ( -0.169 0.000 0.867) 0.883 4.092 ( 0.195 0.000 3.608) 3.613 4.287 ( 1.868 0.000 1.271) 2.259 4.325 ( -0.441 0.000 -1.511) 1.575 4.365 ( 0.712 0.000 -1.570) 1.724 4.417 ( 0.600 0.000 -2.535) 2.605 4.892 ( -0.667 0.000 -1.425) 1.573 5.065 ( 0.845 0.000 0.793) 1.159 6.223 ( -0.832 0.000 0.062) 0.834 6.263 ( -0.027 0.000 1.120) 1.120 8.325 ( -0.911 0.000 -0.991) 1.346 8.405 ( 0.315 0.000 1.045) 1.091 12.621 ( 1.360 0.000 -0.863) 1.611 12.704 ( -0.636 0.000 -0.301) 0.703 12.721 ( 0.117 0.000 -0.439) 0.454 12.811 ( 0.418 0.000 1.296) 1.362 12.906 ( -0.084 0.000 -1.313) 1.316 13.127 ( 0.015 0.000 -0.209) 0.209 13.158 ( 2.225 0.000 -0.593) 2.303 13.201 ( -1.114 0.000 1.735) 2.062 13.768 ( 1.319 0.000 0.760) 1.522 13.826 ( 0.696 0.000 -0.017) 0.696 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.702 0.000 -3.343) 3.751 0.868 ( 3.427 0.000 4.609) 5.743 0.901 ( 5.676 0.000 4.336) 7.143 1.006 ( -0.790 0.000 -3.185) 3.282 1.091 ( -0.716 0.000 0.512) 0.880 1.140 ( 1.349 0.000 -0.712) 1.525 1.233 ( 0.487 0.000 0.163) 0.513 1.286 ( -4.769 0.000 0.124) 4.771 1.381 ( 5.372 0.000 -2.323) 5.853 1.449 ( -1.986 0.000 -2.919) 3.530 1.483 ( -5.880 0.000 3.656) 6.924 1.625 ( -0.489 0.000 2.463) 2.511 1.843 ( -0.511 0.000 -4.123) 4.155 1.851 ( -0.014 0.000 1.452) 1.452 1.955 ( 2.429 0.000 -0.541) 2.489 2.029 ( 0.497 0.000 -0.875) 1.007 2.086 ( 0.703 0.000 2.309) 2.413 2.205 ( -0.058 0.000 -0.231) 0.238 2.317 ( 0.484 0.000 -0.492) 0.690 2.372 ( 0.185 0.000 1.236) 1.250 2.428 ( -2.316 0.000 -0.177) 2.323 2.508 ( 1.092 0.000 -0.373) 1.154 2.527 ( 0.112 0.000 -0.471) 0.484 2.554 ( 1.673 0.000 3.301) 3.701 2.653 ( -0.934 0.000 -2.695) 2.852 2.754 ( -0.693 0.000 -0.533) 0.874 2.825 ( -1.068 0.000 -0.921) 1.410 2.918 ( 0.848 0.000 0.290) 0.896 3.263 ( 0.218 0.000 0.903) 0.929 3.288 ( -0.832 0.000 2.780) 2.902 3.295 ( -0.392 0.000 0.276) 0.479 3.343 ( 3.855 0.000 -3.462) 5.181 3.430 ( -3.141 0.000 0.422) 3.169 3.560 ( 0.565 0.000 0.370) 0.675 3.688 ( 0.240 0.000 0.547) 0.598 3.764 ( -1.296 0.000 -1.159) 1.738 3.822 ( 0.688 0.000 2.948) 3.027 3.919 ( -0.088 0.000 -3.284) 3.285 4.038 ( -0.173 0.000 0.021) 0.174 4.129 ( 0.157 0.000 1.983) 1.989 4.303 ( -0.293 0.000 -0.883) 0.930 4.310 ( 0.454 0.000 -0.325) 0.558 4.364 ( 0.429 0.000 -0.190) 0.469 4.410 ( 0.430 0.000 -0.693) 0.815 4.873 ( -0.276 0.000 -0.584) 0.646 5.080 ( 0.292 0.000 0.265) 0.395 6.215 ( -0.319 0.000 0.054) 0.324 6.273 ( 0.016 0.000 0.481) 0.481 8.306 ( -0.387 0.000 -0.406) 0.561 8.417 ( 0.149 0.000 0.361) 0.390 12.633 ( 0.732 0.000 -0.204) 0.760 12.689 ( -0.581 0.000 -0.204) 0.616 12.720 ( 0.140 0.000 -0.173) 0.223 12.815 ( -0.520 0.000 0.248) 0.576 12.904 ( 0.561 0.000 -0.286) 0.629 13.126 ( -0.019 0.000 -0.043) 0.047 13.183 ( 2.030 0.000 -1.139) 2.328 13.198 ( -1.564 0.000 1.545) 2.198 13.791 ( 0.581 0.000 0.347) 0.677 13.835 ( 0.289 0.000 0.006) 0.289 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 0.000 12.913 0.000) 12.913 0.359 ( 0.000 17.778 0.000) 17.778 0.502 ( 0.000 25.001 0.000) 25.001 0.926 ( 0.000 -0.311 0.000) 0.311 1.079 ( 0.000 -0.043 0.000) 0.043 1.143 ( 0.000 1.769 0.000) 1.769 1.160 ( 0.000 2.165 0.000) 2.165 1.283 ( 0.000 -4.069 0.000) 4.069 1.357 ( 0.000 1.121 0.000) 1.121 1.399 ( 0.000 2.573 0.000) 2.573 1.444 ( 0.000 0.145 0.000) 0.145 1.564 ( 0.000 -0.076 0.000) 0.076 1.787 ( 0.000 0.007 0.000) 0.007 1.855 ( 0.000 -3.137 0.000) 3.137 2.095 ( 0.000 -3.255 0.000) 3.255 2.113 ( 0.000 0.343 0.000) 0.343 2.146 ( 0.000 -1.755 0.000) 1.755 2.231 ( 0.000 3.886 0.000) 3.886 2.279 ( 0.000 -3.001 0.000) 3.001 2.392 ( 0.000 3.011 0.000) 3.011 2.435 ( 0.000 1.317 0.000) 1.317 2.469 ( 0.000 -3.486 0.000) 3.486 2.637 ( 0.000 -0.635 0.000) 0.635 2.694 ( 0.000 0.070 0.000) 0.070 2.696 ( 0.000 -3.138 0.000) 3.138 2.713 ( 0.000 -3.241 0.000) 3.241 2.963 ( 0.000 0.024 0.000) 0.024 2.994 ( 0.000 1.199 0.000) 1.199 3.131 ( 0.000 0.355 0.000) 0.355 3.301 ( 0.000 -0.804 0.000) 0.804 3.342 ( 0.000 -0.586 0.000) 0.586 3.363 ( 0.000 -2.392 0.000) 2.392 3.414 ( 0.000 2.370 0.000) 2.370 3.574 ( 0.000 -0.013 0.000) 0.013 3.625 ( 0.000 -0.074 0.000) 0.074 3.663 ( 0.000 1.700 0.000) 1.700 3.780 ( 0.000 -1.456 0.000) 1.456 3.848 ( 0.000 -3.505 0.000) 3.505 3.992 ( 0.000 2.993 0.000) 2.993 4.130 ( 0.000 -2.485 0.000) 2.485 4.233 ( 0.000 -0.975 0.000) 0.975 4.259 ( 0.000 3.044 0.000) 3.044 4.354 ( 0.000 0.445 0.000) 0.445 4.523 ( 0.000 -0.747 0.000) 0.747 4.937 ( 0.000 -0.347 0.000) 0.347 5.046 ( 0.000 -1.584 0.000) 1.584 6.247 ( 0.000 0.358 0.000) 0.358 6.255 ( 0.000 -0.515 0.000) 0.515 8.318 ( 0.000 -0.169 0.000) 0.169 8.407 ( 0.000 -1.548 0.000) 1.548 12.584 ( 0.000 -0.219 0.000) 0.219 12.676 ( 0.000 -1.775 0.000) 1.775 12.757 ( 0.000 0.398 0.000) 0.398 12.771 ( 0.000 0.887 0.000) 0.887 13.066 ( 0.000 1.541 0.000) 1.541 13.113 ( 0.000 1.348 0.000) 1.348 13.146 ( 0.000 2.819 0.000) 2.819 13.174 ( 0.000 3.102 0.000) 3.102 13.719 ( 0.000 0.960 0.000) 0.960 13.802 ( 0.000 -0.152 0.000) 0.152 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 6.194 10.193 5.750) 13.241 0.417 ( 9.767 14.081 -2.514) 17.320 0.715 ( 12.217 11.244 13.945) 21.683 0.955 ( 1.906 0.398 3.212) 3.756 1.037 ( -1.101 -0.410 -4.097) 4.262 1.150 ( -1.172 2.035 0.652) 2.437 1.165 ( -0.544 2.403 1.772) 3.035 1.256 ( -1.317 -2.096 -1.025) 2.679 1.375 ( 0.069 -0.419 0.214) 0.475 1.425 ( 0.099 0.120 0.645) 0.664 1.547 ( 1.539 -0.864 12.870) 12.991 1.569 ( 0.106 0.471 0.310) 0.574 1.793 ( -3.596 -3.501 -1.304) 5.185 1.838 ( 1.245 -2.533 0.971) 2.984 2.074 ( -0.464 1.086 -4.027) 4.197 2.095 ( -0.741 -2.388 -0.504) 2.551 2.120 ( 0.293 -0.170 -2.105) 2.132 2.204 ( -1.099 2.851 -2.350) 3.855 2.264 ( -1.709 -2.350 0.556) 2.958 2.385 ( -1.246 2.708 -0.819) 3.091 2.420 ( 1.213 1.128 -0.310) 1.685 2.494 ( 0.898 -5.547 -1.893) 5.930 2.624 ( -2.013 -1.453 0.239) 2.494 2.653 ( -3.168 -0.818 0.120) 3.274 2.704 ( 1.673 -0.785 -0.083) 1.850 2.739 ( 2.023 -2.350 -1.185) 3.320 2.891 ( -0.748 3.534 -4.302) 5.617 3.001 ( -1.312 2.044 0.650) 2.515 3.151 ( 1.038 -0.290 1.522) 1.865 3.300 ( -1.685 -0.460 0.157) 1.754 3.322 ( 0.778 -1.646 -1.960) 2.675 3.370 ( -2.341 1.200 1.440) 2.999 3.438 ( 2.614 0.462 1.513) 3.056 3.554 ( 0.539 -0.933 -1.746) 2.051 3.613 ( -2.504 1.135 1.784) 3.278 3.657 ( -0.339 0.245 1.180) 1.252 3.871 ( 1.954 -2.972 1.889) 4.028 3.901 ( 7.771 -5.148 -1.784) 9.491 4.005 ( -0.639 1.940 2.145) 2.962 4.085 ( -3.254 -1.529 -0.939) 3.716 4.233 ( 0.495 1.698 0.187) 1.779 4.297 ( 2.909 -0.086 0.092) 2.911 4.358 ( 0.611 0.246 -0.236) 0.700 4.501 ( -1.107 -0.574 -2.180) 2.512 4.941 ( -0.211 -0.413 0.035) 0.465 5.017 ( -0.455 -0.489 -1.390) 1.542 6.248 ( -0.218 0.139 0.442) 0.512 6.251 ( -0.439 -0.153 0.035) 0.467 8.337 ( 0.526 -1.177 1.205) 1.765 8.389 ( -1.295 -0.576 -0.233) 1.436 12.594 ( 1.863 -0.638 -1.551) 2.506 12.682 ( 0.533 -1.530 0.333) 1.654 12.749 ( -0.436 0.939 -0.347) 1.092 12.770 ( 0.596 1.091 -0.409) 1.309 13.001 ( -2.122 4.072 -1.734) 4.908 13.134 ( 0.860 0.815 -0.686) 1.370 13.144 ( 0.662 2.594 -0.563) 2.736 13.207 ( 0.047 2.174 2.973) 3.684 13.725 ( 0.598 0.889 0.326) 1.120 13.805 ( 0.363 -0.165 -0.027) 0.400 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 8.430 7.219 4.199) 11.866 0.583 ( 10.096 8.864 1.830) 13.559 0.934 ( -0.268 -1.689 -2.689) 3.186 0.978 ( 1.795 0.304 -0.615) 1.922 1.087 ( 4.111 -0.926 2.316) 4.808 1.145 ( -2.145 0.391 -0.333) 2.205 1.175 ( 0.736 3.428 9.513) 10.139 1.248 ( 3.401 0.835 -1.723) 3.903 1.362 ( -2.529 -1.290 2.636) 3.874 1.442 ( 0.602 -1.590 0.805) 1.881 1.554 ( -2.071 2.034 -0.126) 2.906 1.683 ( -4.358 -2.389 0.836) 5.040 1.730 ( 2.452 1.841 7.811) 8.392 1.870 ( 2.239 -1.439 -0.204) 2.670 2.016 ( -1.199 0.898 -3.633) 3.930 2.072 ( -0.973 -0.321 0.468) 1.127 2.126 ( -2.232 3.514 -5.257) 6.706 2.163 ( 3.998 -2.310 0.401) 4.634 2.245 ( -1.822 -0.831 0.466) 2.056 2.358 ( 0.433 1.729 -1.229) 2.165 2.447 ( 1.729 -0.117 -0.647) 1.850 2.461 ( -0.605 -3.938 -2.336) 4.618 2.569 ( -4.427 -1.664 -0.637) 4.772 2.611 ( -2.756 0.967 0.848) 3.042 2.726 ( 1.441 -1.164 -1.808) 2.589 2.754 ( 1.272 -1.382 -0.512) 1.947 2.859 ( 0.595 1.398 -1.662) 2.252 2.973 ( -1.508 3.112 -1.213) 3.665 3.181 ( 0.142 -1.708 1.474) 2.260 3.271 ( -0.798 -1.397 -0.520) 1.691 3.312 ( 0.890 0.232 -2.138) 2.328 3.353 ( -1.811 3.246 1.981) 4.212 3.495 ( 2.206 0.280 1.346) 2.599 3.561 ( -1.293 0.381 -0.383) 1.401 3.588 ( -0.111 -2.781 1.853) 3.344 3.689 ( 1.105 -0.707 2.792) 3.085 3.890 ( -0.353 -1.326 -2.467) 2.823 3.967 ( 2.965 -2.690 -1.396) 4.240 3.998 ( -1.906 0.084 1.963) 2.738 4.065 ( 0.262 0.153 1.529) 1.559 4.255 ( 1.433 1.408 0.793) 2.160 4.332 ( 1.551 -0.404 -0.397) 1.651 4.364 ( 0.705 -0.158 -0.962) 1.203 4.450 ( -0.945 -0.333 -3.268) 3.418 4.922 ( -0.856 -0.001 -1.442) 1.677 5.022 ( 0.956 -1.558 0.771) 1.984 6.237 ( -0.903 -0.120 -0.091) 0.916 6.255 ( -0.151 0.227 0.937) 0.976 8.341 ( -0.563 -0.973 -0.636) 1.292 8.379 ( -0.215 -0.855 0.936) 1.286 12.606 ( 1.602 -0.359 -1.151) 2.005 12.697 ( 0.578 -1.117 0.404) 1.321 12.740 ( -0.174 1.018 -0.499) 1.147 12.781 ( 0.679 0.060 0.424) 0.803 12.961 ( -0.983 3.200 -1.410) 3.632 13.123 ( -0.179 -0.169 -1.171) 1.196 13.167 ( 1.951 3.705 0.149) 4.190 13.234 ( -0.062 3.279 2.197) 3.948 13.745 ( 1.101 0.685 0.655) 1.453 13.812 ( 0.604 -0.232 -0.009) 0.647 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 7.023 3.804 5.373) 9.626 0.753 ( 5.790 2.667 1.124) 6.473 0.836 ( -0.651 2.239 -4.001) 4.631 1.015 ( 1.676 -0.988 -0.683) 2.062 1.103 ( -0.261 -0.243 0.092) 0.369 1.112 ( -1.531 -0.739 0.752) 1.859 1.217 ( 1.473 -0.488 -2.657) 3.077 1.306 ( -0.066 -2.411 0.782) 2.535 1.408 ( -0.606 -3.218 3.366) 4.696 1.416 ( -3.170 0.953 0.605) 3.365 1.535 ( -0.953 1.542 2.457) 3.053 1.615 ( -3.289 -1.078 0.742) 3.540 1.825 ( -0.257 0.239 3.368) 3.386 1.921 ( 4.182 0.809 -4.066) 5.888 1.967 ( -0.283 2.278 -3.320) 4.037 2.050 ( -0.525 4.064 2.993) 5.075 2.082 ( 0.156 2.730 0.539) 2.787 2.199 ( -0.688 -0.462 -0.011) 0.829 2.268 ( 4.780 -1.962 0.077) 5.168 2.367 ( -0.193 1.348 1.092) 1.745 2.434 ( -0.587 -3.899 1.190) 4.119 2.469 ( -0.337 -1.821 -2.401) 3.032 2.484 ( -1.554 -1.111 -1.070) 2.190 2.589 ( -1.141 2.004 0.956) 2.496 2.703 ( -0.408 0.377 -3.231) 3.278 2.758 ( 0.017 -1.384 -0.833) 1.615 2.861 ( 0.264 0.204 -0.419) 0.536 2.940 ( -0.549 3.479 -1.005) 3.663 3.195 ( 0.486 -2.703 1.184) 2.991 3.269 ( -0.146 -1.194 0.107) 1.207 3.312 ( 1.662 -0.102 -1.058) 1.972 3.354 ( -0.614 4.003 1.531) 4.330 3.495 ( -2.792 0.384 -1.492) 3.189 3.552 ( 1.059 1.303 1.688) 2.381 3.627 ( 1.219 -3.847 1.188) 4.207 3.743 ( 0.898 -1.957 3.583) 4.180 3.827 ( -2.424 0.253 -2.541) 3.521 3.959 ( 0.675 0.284 -3.737) 3.808 4.024 ( 0.198 -1.595 2.991) 3.396 4.085 ( -0.027 -0.396 1.200) 1.264 4.287 ( 1.266 -0.070 0.583) 1.395 4.336 ( -0.003 0.780 -0.972) 1.246 4.362 ( 0.657 -0.169 -0.967) 1.181 4.412 ( 0.177 -0.546 -2.241) 2.313 4.893 ( -0.635 0.105 -1.320) 1.469 5.049 ( 0.926 -1.582 0.947) 2.063 6.223 ( -0.803 -0.060 -0.012) 0.806 6.264 ( -0.070 -0.027 0.925) 0.928 8.318 ( -0.875 -0.692 -0.937) 1.457 8.391 ( 0.218 -1.408 0.794) 1.631 12.621 ( 1.346 0.013 -0.497) 1.435 12.703 ( -0.174 -0.183 -0.057) 0.259 12.734 ( 0.082 1.081 -0.417) 1.161 12.794 ( -0.047 -1.477 0.733) 1.650 12.937 ( 0.005 3.147 -1.316) 3.411 13.108 ( -0.287 -0.788 -0.776) 1.143 13.202 ( 2.111 4.129 0.025) 4.637 13.253 ( -0.337 4.346 1.732) 4.691 13.772 ( 1.188 0.401 0.723) 1.447 13.822 ( 0.569 -0.368 0.018) 0.678 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.858 -0.550 -3.013) 3.583 0.878 ( 3.356 1.615 3.580) 5.166 0.933 ( 4.412 2.396 3.372) 6.048 1.011 ( -0.362 -0.045 -1.850) 1.885 1.091 ( -0.666 -0.427 -1.015) 1.287 1.123 ( 1.050 -1.043 1.077) 1.830 1.188 ( -1.117 -3.105 -2.215) 3.975 1.309 ( -1.129 -0.720 2.917) 3.210 1.351 ( -0.094 -2.712 -3.998) 4.832 1.425 ( 0.593 1.839 -0.080) 1.934 1.517 ( -4.259 1.035 1.258) 4.560 1.599 ( -0.717 -2.513 1.599) 3.064 1.849 ( 0.515 0.282 1.236) 1.368 1.883 ( -0.355 3.466 -3.152) 4.698 1.972 ( 1.378 1.990 -0.112) 2.423 2.074 ( 0.427 4.080 -0.800) 4.179 2.116 ( 0.776 2.922 2.169) 3.720 2.193 ( -0.275 -0.821 0.292) 0.913 2.331 ( 3.436 -1.417 -1.480) 4.000 2.354 ( -2.544 0.641 1.438) 2.992 2.402 ( -2.127 -2.507 0.046) 3.289 2.462 ( 0.785 -2.278 0.021) 2.410 2.513 ( 2.352 -0.785 1.117) 2.720 2.589 ( -0.417 -1.454 0.756) 1.691 2.658 ( -0.809 2.705 -2.298) 3.640 2.745 ( -0.220 -0.937 -0.588) 1.128 2.851 ( -0.447 2.676 -0.418) 2.745 2.937 ( 0.333 1.812 -0.084) 1.844 3.226 ( 1.237 -2.576 1.181) 3.092 3.259 ( -0.739 -2.178 -0.296) 2.319 3.334 ( 0.769 -0.445 0.736) 1.154 3.360 ( 0.515 4.187 -0.704) 4.277 3.439 ( -2.000 0.974 -0.453) 2.271 3.579 ( 0.584 1.444 0.486) 1.632 3.647 ( 0.304 -4.006 0.293) 4.028 3.762 ( -0.959 -1.195 -0.290) 1.559 3.805 ( 0.174 -0.499 1.819) 1.894 3.928 ( 0.161 0.993 -2.368) 2.572 4.045 ( -0.040 0.234 0.518) 0.569 4.094 ( -0.142 -3.022 0.795) 3.128 4.303 ( 0.337 -0.574 -0.044) 0.667 4.323 ( -0.028 1.475 -0.763) 1.661 4.364 ( 0.193 -0.051 -0.036) 0.203 4.403 ( 0.326 -0.761 -0.645) 1.050 4.876 ( -0.213 0.384 -0.486) 0.655 5.067 ( 0.354 -1.329 0.359) 1.421 6.213 ( -0.316 -0.093 0.018) 0.330 6.271 ( -0.012 -0.263 0.389) 0.469 8.300 ( -0.377 -0.619 -0.394) 0.825 8.400 ( 0.103 -1.721 0.268) 1.745 12.635 ( 0.724 0.229 -0.077) 0.763 12.695 ( -0.401 0.514 -0.152) 0.670 12.733 ( 0.122 1.122 -0.142) 1.138 12.794 ( -0.368 -1.969 0.203) 2.014 12.932 ( 0.350 2.894 -0.420) 2.945 13.099 ( -0.149 -1.235 -0.263) 1.271 13.230 ( 1.171 4.278 -0.172) 4.438 13.260 ( -0.473 5.070 0.822) 5.158 13.793 ( 0.541 0.220 0.336) 0.674 13.829 ( 0.224 -0.516 0.004) 0.563 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 12.565 0.000) 12.565 0.647 ( 0.000 12.502 0.000) 12.502 0.842 ( 0.000 4.446 0.000) 4.446 0.975 ( 0.000 10.732 0.000) 10.732 1.098 ( 0.000 2.232 0.000) 2.232 1.150 ( 0.000 -5.102 0.000) 5.102 1.213 ( 0.000 3.154 0.000) 3.154 1.246 ( 0.000 4.910 0.000) 4.910 1.383 ( 0.000 1.270 0.000) 1.270 1.433 ( 0.000 -0.201 0.000) 0.201 1.437 ( 0.000 -0.731 0.000) 0.731 1.574 ( 0.000 2.267 0.000) 2.267 1.742 ( 0.000 -4.959 0.000) 4.959 1.851 ( 0.000 3.599 0.000) 3.599 2.002 ( 0.000 -5.135 0.000) 5.135 2.109 ( 0.000 -1.045 0.000) 1.045 2.115 ( 0.000 -2.842 0.000) 2.842 2.204 ( 0.000 -5.966 0.000) 5.966 2.308 ( 0.000 3.659 0.000) 3.659 2.382 ( 0.000 -2.296 0.000) 2.296 2.456 ( 0.000 2.085 0.000) 2.085 2.471 ( 0.000 2.264 0.000) 2.264 2.627 ( 0.000 -0.480 0.000) 0.480 2.629 ( 0.000 -3.342 0.000) 3.342 2.636 ( 0.000 -4.067 0.000) 4.067 2.701 ( 0.000 -0.331 0.000) 0.331 2.971 ( 0.000 0.950 0.000) 0.950 3.011 ( 0.000 0.443 0.000) 0.443 3.146 ( 0.000 1.247 0.000) 1.247 3.276 ( 0.000 -1.987 0.000) 1.987 3.320 ( 0.000 -1.562 0.000) 1.562 3.334 ( 0.000 -0.217 0.000) 0.217 3.460 ( 0.000 2.364 0.000) 2.364 3.576 ( 0.000 0.068 0.000) 0.068 3.630 ( 0.000 0.645 0.000) 0.645 3.695 ( 0.000 1.517 0.000) 1.517 3.729 ( 0.000 -3.715 0.000) 3.715 3.784 ( 0.000 -3.099 0.000) 3.099 4.045 ( 0.000 2.333 0.000) 2.333 4.096 ( 0.000 -1.232 0.000) 1.232 4.218 ( 0.000 -0.292 0.000) 0.292 4.283 ( 0.000 -0.393 0.000) 0.393 4.383 ( 0.000 2.484 0.000) 2.484 4.503 ( 0.000 -1.407 0.000) 1.407 4.932 ( 0.000 -0.029 0.000) 0.029 5.008 ( 0.000 -2.267 0.000) 2.267 6.245 ( 0.000 -0.350 0.000) 0.350 6.252 ( 0.000 0.115 0.000) 0.115 8.315 ( 0.000 -0.047 0.000) 0.047 8.371 ( 0.000 -2.043 0.000) 2.043 12.580 ( 0.000 -0.085 0.000) 0.085 12.640 ( 0.000 -2.000 0.000) 2.000 12.765 ( 0.000 0.482 0.000) 0.482 12.782 ( 0.000 0.203 0.000) 0.203 13.109 ( 0.000 2.645 0.000) 2.645 13.145 ( 0.000 1.722 0.000) 1.722 13.209 ( 0.000 3.525 0.000) 3.525 13.236 ( 0.000 3.041 0.000) 3.041 13.744 ( 0.000 1.606 0.000) 1.606 13.799 ( 0.000 -0.183 0.000) 0.183 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 4.668 8.903 4.659) 11.079 0.672 ( 4.799 11.789 -2.043) 12.891 0.857 ( 1.733 0.806 0.711) 2.039 1.028 ( 2.375 6.767 2.989) 7.770 1.053 ( -0.914 2.635 -3.432) 4.422 1.143 ( -1.417 -4.289 1.101) 4.649 1.214 ( 0.015 3.774 0.435) 3.799 1.287 ( 2.047 6.325 0.716) 6.686 1.375 ( -1.591 0.536 1.057) 1.984 1.410 ( -2.387 -1.743 -0.148) 2.960 1.516 ( 3.218 -3.207 5.810) 7.376 1.613 ( 3.467 4.605 3.714) 6.857 1.711 ( -3.402 -4.519 -0.750) 5.706 1.855 ( -0.074 3.857 0.958) 3.975 2.017 ( 0.830 -4.184 1.705) 4.594 2.079 ( -0.221 -1.823 -4.085) 4.479 2.107 ( 0.318 -1.753 -1.645) 2.425 2.207 ( -0.240 -2.384 0.543) 2.457 2.294 ( -0.373 3.690 -1.314) 3.934 2.389 ( -0.341 -2.688 0.781) 2.820 2.434 ( -1.524 1.033 -3.138) 3.639 2.450 ( 0.681 1.671 -1.351) 2.254 2.587 ( -3.441 -2.306 0.749) 4.210 2.621 ( -1.102 -2.981 0.743) 3.264 2.653 ( 1.401 -2.117 -0.628) 2.615 2.727 ( 2.890 -0.403 -1.501) 3.281 2.928 ( -1.319 1.347 -2.916) 3.472 3.025 ( -0.367 0.048 0.462) 0.592 3.154 ( 0.268 0.807 0.941) 1.268 3.278 ( -0.327 -1.610 -1.760) 2.408 3.298 ( 0.688 -0.355 0.663) 1.020 3.378 ( 0.898 -0.553 1.763) 2.055 3.460 ( 0.602 1.627 0.432) 1.788 3.543 ( -1.346 -0.280 -2.385) 2.753 3.632 ( -2.707 0.731 1.773) 3.318 3.655 ( -1.378 -0.541 1.465) 2.083 3.811 ( 5.048 -3.031 2.566) 6.423 3.830 ( 3.432 -2.604 0.089) 4.309 4.049 ( -0.245 2.235 0.212) 2.258 4.067 ( -1.751 -0.205 -0.383) 1.804 4.241 ( 1.830 -0.373 0.392) 1.908 4.290 ( 1.304 -0.964 -0.605) 1.731 4.381 ( -0.250 2.028 -0.099) 2.046 4.484 ( -1.135 -1.208 -1.556) 2.273 4.933 ( -0.199 -0.280 0.135) 0.369 4.992 ( -0.491 -1.844 -1.370) 2.350 6.243 ( -0.297 -0.230 0.065) 0.381 6.254 ( -0.089 0.072 0.380) 0.397 8.322 ( 0.310 -0.448 0.439) 0.700 8.364 ( -0.631 -1.713 -0.205) 1.837 12.587 ( 0.935 -0.085 -0.265) 0.976 12.648 ( 0.748 -1.929 0.381) 2.104 12.763 ( -0.146 0.575 -0.247) 0.642 12.781 ( 0.054 0.136 -0.207) 0.253 13.076 ( -1.647 3.713 -1.706) 4.405 13.146 ( 0.325 0.865 -1.329) 1.619 13.216 ( 1.364 4.089 0.029) 4.310 13.260 ( 0.723 2.823 2.276) 3.698 13.749 ( 0.383 1.540 0.361) 1.627 13.802 ( 0.226 -0.176 0.136) 0.317 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 5.606 6.504 3.489) 9.269 0.752 ( 5.400 8.076 0.346) 9.721 0.899 ( 1.720 -1.957 -0.556) 2.664 1.003 ( -0.069 2.390 -2.174) 3.231 1.067 ( 0.695 -1.487 -0.586) 1.742 1.132 ( -2.010 -0.897 0.454) 2.247 1.243 ( -0.548 2.840 -0.610) 2.956 1.269 ( 1.167 0.650 -1.992) 2.399 1.361 ( -1.959 -0.276 1.531) 2.502 1.417 ( -0.105 1.446 4.540) 4.766 1.578 ( 0.232 -0.902 1.591) 1.843 1.622 ( -5.098 -3.052 -0.875) 6.006 1.780 ( 5.791 3.154 8.006) 10.372 1.867 ( 0.376 2.403 0.945) 2.609 2.017 ( -0.244 -1.286 -5.337) 5.495 2.068 ( 1.171 -0.109 3.991) 4.160 2.116 ( 2.504 -2.037 -0.048) 3.228 2.202 ( -0.108 3.198 -1.213) 3.422 2.269 ( -2.318 3.052 0.124) 3.834 2.374 ( -0.379 -0.508 -0.710) 0.952 2.392 ( -0.010 -1.804 -1.925) 2.638 2.455 ( 2.678 0.214 -2.959) 3.997 2.521 ( -4.979 -2.851 -0.578) 5.767 2.615 ( -1.347 -1.514 1.307) 2.411 2.674 ( 1.940 -2.019 -0.629) 2.870 2.749 ( 2.397 -0.499 -2.290) 3.353 2.883 ( -0.840 1.215 -1.686) 2.241 3.006 ( -0.978 -0.343 -1.083) 1.499 3.170 ( 0.260 1.061 0.643) 1.268 3.257 ( 0.711 0.194 -1.359) 1.546 3.314 ( -0.428 0.036 0.046) 0.432 3.392 ( -0.271 0.235 0.950) 1.016 3.484 ( 1.240 -1.209 0.217) 1.745 3.528 ( 1.326 -1.934 0.257) 2.359 3.593 ( -3.250 1.681 1.303) 3.884 3.676 ( -0.057 -0.675 2.740) 2.822 3.858 ( 0.594 -1.798 -1.173) 2.228 3.906 ( 2.996 -2.904 2.372) 4.800 4.023 ( -1.103 1.782 -1.130) 2.381 4.070 ( 0.374 0.610 1.014) 1.241 4.267 ( 1.186 -0.185 -0.277) 1.232 4.314 ( 2.092 -1.469 0.074) 2.558 4.372 ( -0.424 1.119 -0.445) 1.277 4.440 ( -1.427 -0.818 -2.260) 2.795 4.920 ( -0.722 -0.040 -1.018) 1.248 4.986 ( 0.606 -2.105 0.397) 2.226 6.236 ( -0.649 0.027 -0.057) 0.652 6.257 ( -0.195 -0.070 0.573) 0.610 8.323 ( -0.395 -0.789 -0.465) 0.998 8.355 ( -0.288 -1.520 0.254) 1.568 12.602 ( 1.292 0.063 -0.197) 1.308 12.669 ( 1.039 -1.810 0.539) 2.155 12.757 ( -0.099 0.755 -0.328) 0.830 12.779 ( -0.173 -0.255 -0.122) 0.332 13.035 ( -0.839 4.095 -1.871) 4.580 13.128 ( -0.221 0.458 -1.772) 1.843 13.251 ( 2.210 4.600 0.608) 5.140 13.300 ( 0.939 3.201 2.294) 4.049 13.764 ( 0.719 1.259 0.615) 1.575 13.808 ( 0.353 -0.203 0.186) 0.448 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -2.083 1.493 -2.612) 3.659 0.819 ( 5.967 4.603 3.219) 8.195 0.906 ( 3.001 3.428 -0.196) 4.560 0.999 ( -0.259 -0.399 0.353) 0.592 1.082 ( 1.119 -1.898 -1.067) 2.449 1.096 ( -1.812 -0.463 1.043) 2.142 1.185 ( 1.231 -2.686 -6.839) 7.450 1.251 ( -2.647 -3.675 0.032) 4.529 1.381 ( -1.409 0.525 2.850) 3.222 1.449 ( 0.052 2.666 2.014) 3.342 1.543 ( -2.942 -1.041 0.925) 3.255 1.593 ( -1.440 -0.901 0.528) 1.779 1.849 ( -1.122 2.382 2.193) 3.427 1.934 ( 3.960 0.691 -2.232) 4.598 2.006 ( 3.005 1.642 1.043) 3.580 2.130 ( -0.484 1.891 -0.230) 1.966 2.136 ( -0.375 3.464 4.944) 6.048 2.212 ( 3.508 -0.458 -0.368) 3.556 2.236 ( -1.172 1.817 -0.272) 2.179 2.378 ( -1.504 -2.769 0.331) 3.169 2.384 ( -0.194 0.354 1.649) 1.698 2.428 ( -1.343 -0.918 -2.036) 2.606 2.470 ( 2.478 -0.442 -3.382) 4.216 2.599 ( -1.823 -1.135 -0.000) 2.148 2.691 ( 0.761 -1.325 -0.241) 1.547 2.743 ( 0.810 -0.639 -3.169) 3.333 2.882 ( 1.401 1.940 0.627) 2.474 2.984 ( -0.279 0.532 -0.851) 1.042 3.177 ( 0.641 1.421 0.001) 1.559 3.257 ( -0.951 0.429 -0.467) 1.143 3.301 ( 1.201 -0.811 -1.271) 1.927 3.397 ( -0.846 -0.524 1.470) 1.775 3.510 ( 1.035 0.010 -0.412) 1.114 3.543 ( -0.480 -1.952 1.169) 2.325 3.577 ( 0.224 0.242 0.545) 0.636 3.703 ( -0.443 -2.005 2.631) 3.337 3.838 ( -1.123 1.003 -0.436) 1.568 3.958 ( 1.848 -1.686 -0.643) 2.582 3.997 ( -1.220 0.139 0.724) 1.425 4.079 ( -0.100 -0.468 -0.546) 0.726 4.281 ( 0.966 -0.320 -0.005) 1.018 4.345 ( 0.849 -0.165 0.105) 0.871 4.361 ( 0.185 0.121 -0.622) 0.660 4.399 ( -0.880 -0.779 -1.471) 1.883 4.899 ( -0.389 0.667 -0.838) 1.139 5.010 ( 0.935 -2.478 1.088) 2.863 6.223 ( -0.689 0.217 -0.111) 0.731 6.260 ( -0.189 -0.421 0.498) 0.679 8.305 ( -0.753 -0.577 -0.813) 1.250 8.357 ( -0.012 -2.027 0.250) 2.042 12.622 ( 1.274 0.239 0.013) 1.297 12.689 ( 0.713 -1.395 0.381) 1.612 12.753 ( 0.035 0.863 -0.201) 0.886 12.770 ( -0.690 -0.775 -0.132) 1.046 13.009 ( -0.019 4.077 -1.452) 4.328 13.106 ( -0.315 0.257 -1.334) 1.394 13.294 ( 2.129 4.973 0.536) 5.436 13.336 ( 0.605 3.930 1.818) 4.372 13.783 ( 0.814 0.800 0.614) 1.296 13.816 ( 0.300 -0.302 0.130) 0.445 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -2.146 1.428 -2.380) 3.508 0.931 ( 2.951 3.654 2.317) 5.238 0.961 ( 1.609 0.298 1.771) 2.412 0.996 ( -0.280 -1.611 -0.099) 1.639 1.049 ( -0.758 -3.474 -2.508) 4.351 1.114 ( 0.526 -0.791 1.120) 1.468 1.140 ( -0.437 -1.982 -1.844) 2.743 1.216 ( -0.829 -5.384 -1.074) 5.553 1.378 ( -0.624 2.798 0.823) 2.982 1.475 ( 2.634 2.826 -0.698) 3.925 1.520 ( -2.859 -0.904 1.247) 3.247 1.553 ( -2.307 -1.241 0.078) 2.621 1.870 ( 0.460 2.088 1.631) 2.690 1.947 ( 1.451 2.980 -1.944) 3.842 2.029 ( -0.355 3.323 0.145) 3.346 2.141 ( 1.780 1.468 -0.057) 2.308 2.178 ( 0.256 3.003 1.434) 3.337 2.196 ( -2.307 1.993 -0.356) 3.069 2.268 ( 1.881 -3.386 0.033) 3.873 2.334 ( -2.142 -3.701 0.974) 4.386 2.401 ( -0.633 2.435 1.899) 3.152 2.449 ( 2.507 0.573 -1.345) 2.902 2.481 ( 2.878 -1.567 -0.297) 3.290 2.551 ( -3.116 -1.957 -1.225) 3.879 2.701 ( 0.307 0.535 0.466) 0.773 2.723 ( 0.289 -1.112 -1.609) 1.978 2.916 ( 1.143 3.776 0.640) 3.997 2.975 ( -0.128 1.856 -0.468) 1.918 3.195 ( 1.320 -0.239 0.121) 1.347 3.226 ( -1.645 -0.964 -0.324) 1.934 3.310 ( 0.691 -1.499 -0.691) 1.789 3.402 ( -0.154 -0.666 0.819) 1.067 3.498 ( -0.704 5.099 -0.261) 5.154 3.557 ( 0.373 -4.458 0.134) 4.476 3.590 ( 0.484 -0.875 0.325) 1.052 3.716 ( -0.370 -2.644 0.847) 2.801 3.827 ( -0.511 2.098 0.605) 2.242 3.952 ( 0.325 1.286 -1.645) 2.113 4.013 ( 0.040 -3.456 2.284) 4.143 4.057 ( -0.569 -1.004 -1.750) 2.096 4.294 ( 0.380 0.056 0.101) 0.397 4.346 ( 0.228 0.795 -0.301) 0.880 4.362 ( -0.182 -0.140 0.000) 0.230 4.383 ( 0.042 -1.327 -0.394) 1.385 4.890 ( -0.055 1.263 -0.224) 1.284 5.031 ( 0.423 -2.489 0.494) 2.573 6.214 ( -0.292 0.256 -0.048) 0.392 6.262 ( -0.081 -0.734 0.191) 0.763 8.288 ( -0.333 -0.416 -0.358) 0.642 8.358 ( -0.010 -2.458 0.056) 2.459 12.640 ( 0.669 0.264 0.078) 0.724 12.698 ( 0.147 -0.588 0.094) 0.613 12.753 ( 0.046 0.842 -0.043) 0.844 12.758 ( -0.478 -1.244 -0.102) 1.336 13.001 ( 0.163 3.913 -0.528) 3.952 13.091 ( -0.154 0.187 -0.489) 0.546 13.324 ( 0.984 5.128 0.153) 5.224 13.356 ( 0.075 4.533 0.751) 4.595 13.799 ( 0.418 0.450 0.299) 0.683 13.819 ( 0.076 -0.428 0.010) 0.434 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 9.221 0.000) 9.221 0.815 ( 0.000 -4.082 0.000) 4.082 0.840 ( 0.000 8.808 0.000) 8.808 1.005 ( 0.000 -8.588 0.000) 8.588 1.152 ( 0.000 2.765 0.000) 2.765 1.154 ( 0.000 4.336 0.000) 4.336 1.265 ( 0.000 3.630 0.000) 3.630 1.366 ( 0.000 -5.389 0.000) 5.389 1.397 ( 0.000 4.272 0.000) 4.272 1.403 ( 0.000 0.221 0.000) 0.221 1.442 ( 0.000 5.052 0.000) 5.052 1.576 ( 0.000 -5.455 0.000) 5.455 1.746 ( 0.000 7.886 0.000) 7.886 1.905 ( 0.000 -6.559 0.000) 6.559 1.941 ( 0.000 5.364 0.000) 5.364 2.041 ( 0.000 -4.885 0.000) 4.885 2.075 ( 0.000 -2.039 0.000) 2.039 2.079 ( 0.000 -4.329 0.000) 4.329 2.359 ( 0.000 1.727 0.000) 1.727 2.372 ( 0.000 0.148 0.000) 0.148 2.490 ( 0.000 1.467 0.000) 1.467 2.502 ( 0.000 0.570 0.000) 0.570 2.574 ( 0.000 -1.859 0.000) 1.859 2.575 ( 0.000 -1.986 0.000) 1.986 2.639 ( 0.000 1.608 0.000) 1.608 2.677 ( 0.000 -1.999 0.000) 1.999 2.995 ( 0.000 1.260 0.000) 1.260 3.011 ( 0.000 -0.426 0.000) 0.426 3.178 ( 0.000 2.190 0.000) 2.190 3.228 ( 0.000 -2.894 0.000) 2.894 3.313 ( 0.000 0.598 0.000) 0.598 3.328 ( 0.000 -0.613 0.000) 0.613 3.507 ( 0.000 2.746 0.000) 2.746 3.560 ( 0.000 -2.269 0.000) 2.269 3.648 ( 0.000 1.122 0.000) 1.122 3.671 ( 0.000 -1.765 0.000) 1.765 3.714 ( 0.000 0.608 0.000) 0.608 3.735 ( 0.000 -1.937 0.000) 1.937 4.073 ( 0.000 0.732 0.000) 0.732 4.081 ( 0.000 -0.414 0.000) 0.414 4.229 ( 0.000 1.406 0.000) 1.406 4.261 ( 0.000 -1.671 0.000) 1.671 4.431 ( 0.000 2.378 0.000) 2.378 4.471 ( 0.000 -1.921 0.000) 1.921 4.940 ( 0.000 0.934 0.000) 0.934 4.968 ( 0.000 -1.916 0.000) 1.916 6.244 ( 0.000 0.191 0.000) 0.191 6.250 ( 0.000 -0.310 0.000) 0.310 8.319 ( 0.000 0.533 0.000) 0.533 8.337 ( 0.000 -1.442 0.000) 1.442 12.585 ( 0.000 0.648 0.000) 0.648 12.605 ( 0.000 -1.530 0.000) 1.530 12.774 ( 0.000 0.391 0.000) 0.391 12.780 ( 0.000 -0.288 0.000) 0.288 13.153 ( 0.000 1.708 0.000) 1.708 13.166 ( 0.000 0.318 0.000) 0.318 13.264 ( 0.000 1.962 0.000) 1.962 13.275 ( 0.000 0.832 0.000) 0.832 13.774 ( 0.000 1.386 0.000) 1.386 13.792 ( 0.000 -0.606 0.000) 0.606 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 1.823 7.332 1.721) 7.749 0.820 ( 0.793 -3.825 0.247) 3.914 0.854 ( 1.899 8.101 -0.265) 8.325 0.998 ( -0.592 -7.142 -0.159) 7.168 1.117 ( -0.458 3.403 -3.424) 4.849 1.146 ( -0.166 1.403 -1.148) 1.821 1.293 ( 2.000 4.489 1.608) 5.171 1.363 ( -2.519 -2.318 -1.519) 3.745 1.366 ( -1.660 1.140 -3.716) 4.226 1.426 ( 1.372 -4.200 2.597) 5.125 1.472 ( 1.083 7.204 4.553) 8.591 1.598 ( 0.077 -5.350 2.465) 5.891 1.761 ( 1.817 8.003 1.040) 8.273 1.913 ( 1.552 -7.047 -1.108) 7.301 1.951 ( 0.674 4.957 0.554) 5.033 2.036 ( 0.038 -3.498 -1.246) 3.713 2.076 ( 1.339 1.145 2.376) 2.958 2.143 ( 2.222 -4.233 4.272) 6.411 2.340 ( -1.583 1.726 -0.529) 2.401 2.366 ( -1.358 -0.799 0.802) 1.768 2.461 ( -1.410 1.367 -3.698) 4.188 2.474 ( 0.475 0.433 -3.625) 3.681 2.547 ( -3.041 -1.117 0.562) 3.288 2.562 ( -0.856 -2.371 -0.185) 2.527 2.654 ( 2.050 1.773 -0.586) 2.773 2.700 ( 2.557 -2.427 -1.186) 3.720 2.961 ( -1.926 2.185 -1.713) 3.379 3.003 ( -1.154 -2.014 -0.687) 2.421 3.184 ( 0.567 2.390 0.653) 2.541 3.236 ( 0.772 -2.764 0.094) 2.871 3.317 ( 0.811 1.938 0.188) 2.109 3.355 ( 1.331 -1.793 1.215) 2.542 3.495 ( -0.294 2.084 -1.517) 2.594 3.531 ( -1.268 -1.352 -2.694) 3.270 3.636 ( -3.341 0.110 2.664) 4.274 3.645 ( -1.594 -0.545 3.060) 3.493 3.776 ( 4.262 -0.376 1.298) 4.471 3.791 ( 3.657 -1.599 1.298) 4.197 4.073 ( -0.459 0.624 -0.018) 0.775 4.077 ( 0.007 0.562 0.081) 0.568 4.240 ( 1.361 0.598 -0.088) 1.489 4.263 ( 0.826 -1.596 -0.626) 1.903 4.421 ( -0.830 2.064 -0.477) 2.275 4.457 ( -1.089 -1.699 -0.962) 2.235 4.936 ( -0.334 0.654 -0.256) 0.777 4.958 ( -0.421 -1.622 -0.817) 1.865 6.244 ( -0.150 0.273 0.143) 0.343 6.251 ( -0.082 -0.364 0.249) 0.449 8.320 ( 0.023 0.302 0.047) 0.307 8.335 ( -0.243 -1.245 -0.116) 1.273 12.592 ( 0.778 0.721 0.150) 1.071 12.614 ( 0.789 -1.571 0.324) 1.787 12.772 ( -0.095 0.396 -0.196) 0.452 12.778 ( -0.078 -0.308 -0.217) 0.385 13.133 ( -0.806 2.211 -1.677) 2.890 13.156 ( -0.206 -0.186 -1.608) 1.632 13.280 ( 1.442 2.303 0.790) 2.830 13.295 ( 1.192 0.676 1.552) 2.071 13.777 ( 0.198 1.335 0.393) 1.406 13.795 ( 0.144 -0.571 0.315) 0.668 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.390 4.062 2.885) 6.026 0.843 ( 0.165 -1.382 1.441) 2.004 0.893 ( 3.059 4.516 0.125) 5.456 0.986 ( -1.302 -4.411 0.801) 4.669 1.088 ( 1.381 3.512 -3.099) 4.883 1.127 ( 0.323 -0.350 -2.448) 2.494 1.249 ( -2.809 -0.276 -7.066) 7.609 1.270 ( -4.596 -2.053 -2.724) 5.723 1.376 ( 1.318 4.152 3.607) 5.656 1.465 ( -0.479 -2.492 2.370) 3.472 1.533 ( 0.968 1.716 2.281) 3.014 1.589 ( -2.689 -2.140 0.582) 3.486 1.845 ( 4.639 3.834 3.156) 6.796 1.912 ( -0.240 -1.314 -0.841) 1.578 1.987 ( 3.027 1.144 0.133) 3.239 2.041 ( 1.090 -2.879 1.637) 3.487 2.144 ( 2.069 4.768 3.672) 6.364 2.224 ( 1.974 -1.706 2.748) 3.789 2.303 ( -2.757 0.918 0.307) 2.922 2.338 ( -2.764 -2.861 -0.062) 3.979 2.409 ( 0.632 2.694 -2.675) 3.849 2.447 ( 2.066 -1.206 -4.327) 4.944 2.499 ( -2.806 1.281 -0.536) 3.131 2.554 ( -0.601 -3.824 0.638) 3.924 2.678 ( 2.041 1.651 -1.502) 3.025 2.720 ( 2.502 -2.387 -2.713) 4.396 2.917 ( -1.233 2.511 -0.653) 2.872 2.970 ( -1.171 -2.852 -0.807) 3.187 3.211 ( 1.628 2.809 0.589) 3.300 3.257 ( 1.913 -1.332 -0.141) 2.335 3.327 ( -0.722 1.757 0.084) 1.901 3.367 ( -0.737 -2.142 -0.383) 2.297 3.475 ( 0.091 0.524 -1.028) 1.157 3.498 ( 0.522 -1.511 -0.859) 1.814 3.627 ( -2.062 1.755 2.604) 3.757 3.657 ( -1.193 -1.388 2.843) 3.381 3.839 ( 1.921 0.134 0.906) 2.129 3.861 ( 2.451 -1.929 2.030) 3.722 4.058 ( -0.773 1.757 -1.155) 2.240 4.078 ( -0.118 -0.191 -0.298) 0.373 4.263 ( 1.441 0.221 -0.190) 1.471 4.283 ( 2.044 -1.663 0.309) 2.653 4.397 ( -1.231 1.331 -0.688) 1.939 4.421 ( -1.563 -1.162 -1.313) 2.349 4.926 ( -0.335 0.739 -0.421) 0.914 4.949 ( 0.141 -1.688 0.054) 1.694 6.241 ( -0.416 0.471 0.046) 0.631 6.251 ( -0.273 -0.526 0.246) 0.642 8.316 ( -0.355 0.112 -0.402) 0.548 8.328 ( -0.291 -1.133 -0.160) 1.181 12.611 ( 1.175 0.860 0.229) 1.474 12.635 ( 1.149 -1.650 0.424) 2.055 12.767 ( -0.139 0.374 -0.190) 0.441 12.773 ( -0.261 -0.298 -0.223) 0.454 13.100 ( -0.487 2.616 -2.079) 3.376 13.130 ( -0.273 -0.554 -2.069) 2.159 13.322 ( 2.161 2.579 1.245) 3.588 13.339 ( 1.716 0.739 1.876) 2.648 13.787 ( 0.339 1.133 0.557) 1.307 13.803 ( 0.209 -0.485 0.416) 0.672 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -2.714 3.059 -0.614) 4.135 0.871 ( 2.337 -0.082 3.013) 3.814 0.944 ( 1.600 1.260 1.276) 2.403 0.974 ( -1.138 -2.198 0.842) 2.614 1.074 ( 1.387 1.606 -4.969) 5.403 1.109 ( 0.024 0.880 -0.614) 1.073 1.133 ( -0.887 -1.651 -6.506) 6.771 1.178 ( -3.410 -3.770 -1.284) 5.243 1.416 ( -0.868 2.957 2.959) 4.272 1.475 ( -1.035 -2.278 2.317) 3.410 1.532 ( -0.616 2.162 -0.842) 2.401 1.575 ( -0.395 -1.566 -0.173) 1.624 1.902 ( 0.094 2.827 1.232) 3.085 1.940 ( 3.206 -0.736 0.690) 3.361 2.042 ( 3.135 2.596 0.810) 4.150 2.101 ( 2.031 -3.423 2.137) 4.518 2.189 ( -0.102 3.130 1.185) 3.348 2.232 ( -1.089 0.345 -0.632) 1.306 2.278 ( -1.010 1.311 0.777) 1.829 2.307 ( -2.807 -3.180 1.758) 4.591 2.417 ( 2.633 2.162 -1.391) 3.680 2.451 ( 2.519 -0.070 -1.750) 3.068 2.460 ( -0.854 2.513 -0.486) 2.698 2.545 ( -1.684 -4.275 0.605) 4.634 2.685 ( 1.296 0.834 -1.769) 2.346 2.715 ( 1.232 -2.021 -3.156) 3.945 2.925 ( 1.806 2.377 1.127) 3.191 2.966 ( 0.988 -1.874 0.439) 2.163 3.233 ( 0.730 3.678 -0.833) 3.841 3.283 ( -1.746 -0.526 -1.720) 2.507 3.287 ( 0.817 1.528 -0.850) 1.930 3.345 ( -1.099 -3.866 0.528) 4.054 3.488 ( 1.704 -0.026 0.189) 1.715 3.515 ( 1.400 -2.169 0.399) 2.612 3.618 ( -1.861 3.075 1.353) 3.840 3.667 ( -0.968 -2.111 1.929) 3.019 3.865 ( 0.035 1.837 1.242) 2.217 3.909 ( 0.902 -2.747 1.829) 3.422 4.023 ( -1.008 1.979 -2.134) 3.080 4.060 ( -0.625 -1.648 -1.880) 2.577 4.289 ( 1.396 1.277 0.605) 1.987 4.322 ( 1.694 -1.886 0.731) 2.638 4.371 ( -0.906 0.734 -0.720) 1.370 4.385 ( -1.297 -0.737 -0.803) 1.694 4.921 ( 0.090 1.695 -0.005) 1.698 4.961 ( 0.615 -2.488 0.769) 2.676 6.232 ( -0.518 0.713 -0.093) 0.886 6.248 ( -0.346 -0.828 0.110) 0.904 8.302 ( -0.547 0.425 -0.618) 0.929 8.321 ( -0.286 -1.574 -0.269) 1.622 12.632 ( 1.142 0.891 0.205) 1.463 12.657 ( 1.022 -1.685 0.320) 1.997 12.763 ( -0.202 0.204 -0.084) 0.299 12.765 ( -0.538 -0.025 -0.123) 0.552 13.075 ( -0.020 2.660 -1.604) 3.107 13.105 ( -0.124 -0.588 -1.604) 1.713 13.369 ( 1.953 2.682 1.070) 3.486 13.385 ( 1.436 1.032 1.561) 2.359 13.799 ( 0.373 0.778 0.468) 0.982 13.810 ( 0.170 -0.374 0.302) 0.510 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.062 5.709 -1.157) 6.179 0.899 ( -1.174 -7.092 1.010) 7.259 0.969 ( 0.509 0.292 0.019) 0.587 0.981 ( 0.212 -0.406 1.539) 1.606 1.031 ( 0.620 3.005 -3.196) 4.430 1.092 ( 0.175 -2.862 -1.622) 3.294 1.106 ( -0.118 0.335 -0.207) 0.411 1.139 ( -0.560 -3.014 -0.292) 3.079 1.432 ( -0.016 2.752 1.320) 3.052 1.480 ( -0.743 -2.458 0.858) 2.707 1.526 ( 0.997 2.266 -0.346) 2.500 1.551 ( -1.539 -0.284 -0.595) 1.675 1.926 ( 0.510 3.683 1.232) 3.917 1.980 ( 1.484 -0.655 -0.140) 1.628 2.071 ( -0.016 2.093 -0.079) 2.095 2.126 ( 1.014 -2.661 -0.531) 2.897 2.207 ( 0.001 1.027 0.895) 1.362 2.232 ( 1.760 -0.955 0.610) 2.094 2.252 ( -2.190 2.341 -0.577) 3.257 2.278 ( -2.181 -1.554 0.952) 2.842 2.455 ( 0.158 2.892 1.104) 3.099 2.459 ( 3.368 0.541 -1.301) 3.651 2.475 ( 1.474 0.231 -0.542) 1.588 2.512 ( -3.020 -2.175 0.485) 3.753 2.687 ( 0.548 -0.585 -0.188) 0.823 2.700 ( 0.447 -1.553 -1.848) 2.455 2.975 ( 1.866 2.243 1.179) 3.147 2.995 ( 1.054 0.131 0.504) 1.175 3.214 ( -0.373 1.480 -1.566) 2.187 3.224 ( -2.178 0.355 -0.853) 2.366 3.295 ( 0.530 0.684 -0.423) 0.963 3.351 ( 0.270 -4.169 0.464) 4.203 3.512 ( 0.773 0.384 0.052) 0.864 3.546 ( 1.289 -2.334 0.659) 2.746 3.601 ( -1.223 4.202 0.373) 4.392 3.668 ( -0.491 -2.809 0.574) 2.909 3.874 ( -0.312 2.892 0.913) 3.049 3.934 ( 0.210 -3.353 1.184) 3.562 3.990 ( -0.439 1.613 -1.191) 2.052 4.027 ( -0.431 -2.039 -1.643) 2.653 4.312 ( 0.518 1.647 0.379) 1.768 4.346 ( 0.563 -1.572 0.223) 1.685 4.357 ( 0.005 0.197 -0.313) 0.369 4.363 ( -0.756 -0.426 -0.148) 0.880 4.925 ( 0.153 2.423 0.132) 2.431 4.978 ( 0.348 -2.994 0.430) 3.044 6.225 ( -0.237 0.860 -0.064) 0.894 6.244 ( -0.162 -1.080 0.017) 1.093 8.290 ( -0.251 0.688 -0.289) 0.787 8.315 ( -0.139 -1.949 -0.153) 1.960 12.649 ( 0.545 0.772 0.093) 0.950 12.672 ( 0.434 -1.648 0.115) 1.708 12.755 ( -0.374 0.414 -0.076) 0.563 12.761 ( -0.124 -0.049 0.013) 0.134 13.064 ( 0.083 2.549 -0.594) 2.619 13.092 ( -0.023 -0.475 -0.598) 0.764 13.401 ( 0.819 2.660 0.408) 2.813 13.414 ( 0.518 1.352 0.630) 1.578 13.808 ( 0.209 0.406 0.208) 0.502 13.814 ( 0.028 -0.231 0.076) 0.245 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -5.210 0.000 16.753) 17.544 0.376 ( -5.049 0.000 17.256) 17.980 0.643 ( 0.514 0.000 28.248) 28.253 0.954 ( -0.281 0.000 2.174) 2.192 1.017 ( -0.271 0.000 -4.729) 4.737 1.112 ( 2.304 0.000 -2.039) 3.076 1.154 ( 0.696 0.000 0.525) 0.872 1.323 ( -3.553 0.000 0.695) 3.620 1.373 ( 2.813 0.000 -2.915) 4.051 1.395 ( 0.302 0.000 2.632) 2.649 1.558 ( 0.055 0.000 -0.787) 0.789 1.808 ( 1.724 0.000 1.766) 2.468 1.825 ( 0.271 0.000 -4.988) 4.995 1.901 ( -0.010 0.000 -1.438) 1.438 1.996 ( -4.115 0.000 -2.662) 4.901 2.075 ( -1.968 0.000 -3.276) 3.822 2.143 ( 1.688 0.000 -3.676) 4.045 2.201 ( -1.057 0.000 0.406) 1.133 2.297 ( 4.370 0.000 -0.154) 4.372 2.324 ( -0.021 0.000 -0.748) 0.748 2.421 ( -2.542 0.000 4.228) 4.933 2.582 ( 0.500 0.000 -4.263) 4.292 2.614 ( -3.536 0.000 -1.361) 3.788 2.652 ( 1.429 0.000 -1.885) 2.365 2.692 ( -2.514 0.000 -0.043) 2.515 2.725 ( 2.639 0.000 -0.520) 2.689 2.831 ( -0.752 0.000 1.004) 1.255 3.021 ( -2.435 0.000 -1.991) 3.146 3.138 ( 1.603 0.000 0.927) 1.852 3.289 ( -0.818 0.000 -1.792) 1.970 3.390 ( -1.254 0.000 0.215) 1.273 3.394 ( -0.747 0.000 0.761) 1.067 3.401 ( 2.236 0.000 3.120) 3.839 3.530 ( 0.895 0.000 -1.050) 1.380 3.653 ( 1.045 0.000 1.008) 1.452 3.654 ( -1.885 0.000 2.964) 3.513 3.816 ( 3.492 0.000 1.643) 3.859 3.884 ( 0.844 0.000 -0.769) 1.141 4.084 ( -2.726 0.000 0.379) 2.752 4.160 ( -2.938 0.000 -1.807) 3.449 4.210 ( -0.315 0.000 1.415) 1.450 4.249 ( 2.295 0.000 0.318) 2.317 4.347 ( 0.566 0.000 -0.411) 0.700 4.496 ( -1.037 0.000 -3.077) 3.247 4.956 ( -1.376 0.000 0.332) 1.416 4.963 ( 3.511 0.000 0.183) 3.516 6.249 ( 0.279 0.000 0.576) 0.640 6.264 ( -0.444 0.000 0.293) 0.532 8.369 ( 2.330 0.000 -0.045) 2.330 8.380 ( -0.658 0.000 -0.286) 0.717 12.658 ( -9.321 0.000 0.395) 9.330 12.702 ( 0.124 0.000 0.492) 0.508 12.708 ( 1.649 0.000 -0.659) 1.775 12.746 ( -0.437 0.000 -0.569) 0.717 12.968 ( -1.085 0.000 1.187) 1.608 13.082 ( 2.445 0.000 -1.579) 2.911 13.145 ( -1.080 0.000 0.453) 1.171 13.163 ( 3.842 0.000 0.242) 3.850 13.720 ( -0.226 0.000 0.924) 0.951 13.796 ( 0.356 0.000 -0.749) 0.830 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -3.451 0.000 15.677) 16.052 0.524 ( 0.593 0.000 14.846) 14.858 0.939 ( -2.133 0.000 -6.014) 6.381 0.946 ( 2.696 0.000 4.136) 4.937 1.028 ( 6.300 0.000 6.755) 9.237 1.149 ( -0.650 0.000 -1.267) 1.424 1.159 ( 4.506 0.000 0.565) 4.541 1.294 ( -3.388 0.000 8.198) 8.870 1.411 ( 4.305 0.000 -0.942) 4.407 1.423 ( -0.424 0.000 3.107) 3.136 1.546 ( -0.337 0.000 -1.330) 1.372 1.737 ( -2.516 0.000 -6.653) 7.113 1.826 ( -2.316 0.000 9.054) 9.345 1.862 ( -1.937 0.000 -2.506) 3.168 1.959 ( 1.273 0.000 -3.422) 3.651 2.031 ( 1.058 0.000 -4.427) 4.552 2.120 ( -0.815 0.000 -0.020) 0.815 2.153 ( -0.968 0.000 -4.071) 4.184 2.330 ( 1.149 0.000 1.005) 1.527 2.344 ( -0.957 0.000 -2.649) 2.816 2.377 ( -1.662 0.000 2.959) 3.394 2.551 ( 0.135 0.000 -2.636) 2.640 2.602 ( -2.094 0.000 0.837) 2.255 2.637 ( -0.016 0.000 -2.997) 2.997 2.663 ( -0.763 0.000 0.451) 0.886 2.739 ( 2.167 0.000 -3.358) 3.996 2.840 ( -0.096 0.000 3.003) 3.005 2.958 ( -2.478 0.000 -2.213) 3.322 3.190 ( 2.363 0.000 1.805) 2.974 3.254 ( -0.161 0.000 -3.366) 3.370 3.360 ( -2.877 0.000 0.649) 2.949 3.364 ( -2.370 0.000 1.560) 2.837 3.470 ( 2.026 0.000 2.355) 3.107 3.552 ( 1.083 0.000 -0.733) 1.308 3.647 ( -1.290 0.000 1.857) 2.261 3.696 ( 1.993 0.000 2.355) 3.085 3.883 ( -0.032 0.000 -1.909) 1.910 3.895 ( 4.008 0.000 -1.464) 4.267 4.078 ( -0.072 0.000 2.237) 2.238 4.087 ( -3.110 0.000 -0.176) 3.115 4.231 ( 0.760 0.000 1.826) 1.978 4.295 ( 2.688 0.000 -0.625) 2.759 4.354 ( 0.298 0.000 0.390) 0.491 4.431 ( -1.535 0.000 -4.280) 4.547 4.931 ( -1.647 0.000 -0.382) 1.691 5.012 ( 2.574 0.000 -0.078) 2.576 6.255 ( -0.914 0.000 0.098) 0.919 6.261 ( 0.200 0.000 0.855) 0.878 8.360 ( -1.056 0.000 -0.711) 1.273 8.390 ( 0.809 0.000 0.199) 0.833 12.601 ( -1.537 0.000 1.399) 2.078 12.712 ( 0.125 0.000 0.610) 0.622 12.727 ( -0.267 0.000 -0.231) 0.353 12.745 ( 2.593 0.000 -0.310) 2.611 12.954 ( -2.021 0.000 0.679) 2.132 13.094 ( 1.674 0.000 -1.361) 2.157 13.134 ( -0.660 0.000 0.191) 0.687 13.200 ( 1.491 0.000 -0.243) 1.511 13.733 ( 0.466 0.000 1.083) 1.179 13.797 ( 0.894 0.000 -0.854) 1.237 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 5.837 0.000 11.600) 12.986 0.699 ( 2.657 0.000 9.564) 9.926 0.823 ( -2.789 0.000 -5.519) 6.184 0.985 ( 1.773 0.000 -0.274) 1.794 1.115 ( 2.332 0.000 -0.402) 2.367 1.120 ( -0.276 0.000 -1.856) 1.877 1.174 ( 0.163 0.000 -3.141) 3.145 1.363 ( -2.550 0.000 4.593) 5.253 1.453 ( 0.299 0.000 -1.535) 1.564 1.505 ( -2.505 0.000 -1.883) 3.134 1.520 ( 2.454 0.000 10.167) 10.459 1.634 ( 0.167 0.000 -6.178) 6.180 1.808 ( 1.029 0.000 -5.986) 6.074 1.901 ( -1.580 0.000 5.730) 5.944 1.949 ( -3.761 0.000 -2.019) 4.269 1.966 ( 2.828 0.000 0.338) 2.848 2.133 ( -1.209 0.000 5.290) 5.426 2.172 ( 6.663 0.000 -2.907) 7.269 2.256 ( -5.153 0.000 0.078) 5.153 2.371 ( 1.293 0.000 2.021) 2.399 2.429 ( 3.185 0.000 1.130) 3.379 2.521 ( -0.956 0.000 -1.345) 1.651 2.557 ( -3.422 0.000 2.302) 4.124 2.604 ( -5.559 0.000 -0.302) 5.567 2.624 ( 2.694 0.000 -5.325) 5.968 2.746 ( 2.375 0.000 -3.234) 4.012 2.884 ( 0.734 0.000 3.143) 3.228 2.893 ( -2.366 0.000 -2.246) 3.262 3.218 ( 1.758 0.000 -4.107) 4.467 3.240 ( 1.323 0.000 1.782) 2.219 3.341 ( -1.978 0.000 2.457) 3.155 3.346 ( -2.388 0.000 1.704) 2.934 3.518 ( 1.686 0.000 1.095) 2.011 3.522 ( -1.766 0.000 -2.407) 2.985 3.666 ( 0.743 0.000 1.064) 1.298 3.766 ( 2.496 0.000 3.308) 4.143 3.835 ( -2.033 0.000 -2.668) 3.354 3.901 ( 1.201 0.000 -4.143) 4.313 4.065 ( -1.370 0.000 1.477) 2.014 4.115 ( 0.704 0.000 2.318) 2.422 4.269 ( 1.741 0.000 0.963) 1.990 4.308 ( 0.450 0.000 -1.903) 1.955 4.365 ( -0.371 0.000 1.933) 1.969 4.378 ( 0.749 0.000 -2.773) 2.873 4.900 ( -1.413 0.000 -0.424) 1.475 5.046 ( 1.818 0.000 -0.150) 1.824 6.239 ( -1.016 0.000 0.034) 1.017 6.273 ( 0.055 0.000 0.721) 0.723 8.333 ( -1.125 0.000 -0.775) 1.366 8.404 ( 0.628 0.000 0.282) 0.688 12.606 ( 0.240 0.000 0.946) 0.976 12.715 ( -0.586 0.000 0.455) 0.741 12.717 ( -0.125 0.000 -0.448) 0.465 12.796 ( 2.691 0.000 0.866) 2.827 12.920 ( -2.432 0.000 0.064) 2.433 13.109 ( 2.289 0.000 -1.645) 2.819 13.129 ( -0.242 0.000 0.282) 0.371 13.216 ( 0.565 0.000 0.302) 0.641 13.757 ( 1.013 0.000 1.015) 1.434 13.805 ( 1.303 0.000 -0.898) 1.582 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.510 0.000 -5.943) 5.964 0.846 ( 7.110 0.000 7.436) 10.288 0.883 ( 2.120 0.000 7.229) 7.534 1.001 ( 0.115 0.000 0.366) 0.384 1.109 ( 1.480 0.000 -1.429) 2.057 1.133 ( -2.029 0.000 -0.769) 2.170 1.143 ( 4.627 0.000 -3.957) 6.088 1.347 ( -5.738 0.000 -5.422) 7.895 1.349 ( -2.361 0.000 1.384) 2.737 1.452 ( -1.684 0.000 -2.044) 2.648 1.599 ( -3.130 0.000 3.797) 4.921 1.603 ( 1.726 0.000 -4.942) 5.235 1.781 ( 3.884 0.000 -3.787) 5.425 1.913 ( -2.315 0.000 3.648) 4.320 1.934 ( 0.112 0.000 2.803) 2.805 2.014 ( 1.071 0.000 1.537) 1.873 2.158 ( -4.398 0.000 5.313) 6.897 2.217 ( -0.533 0.000 1.376) 1.476 2.244 ( 5.915 0.000 -3.265) 6.756 2.402 ( -0.219 0.000 1.364) 1.381 2.482 ( -4.261 0.000 0.382) 4.278 2.495 ( 1.734 0.000 2.653) 3.169 2.527 ( -1.722 0.000 -0.316) 1.750 2.560 ( 0.256 0.000 1.899) 1.916 2.604 ( 2.164 0.000 -4.421) 4.922 2.732 ( 0.987 0.000 -3.197) 3.346 2.839 ( -1.678 0.000 -1.169) 2.045 2.923 ( 0.200 0.000 2.432) 2.440 3.231 ( 4.657 0.000 -3.524) 5.841 3.269 ( 0.038 0.000 1.073) 1.073 3.323 ( -1.989 0.000 0.800) 2.143 3.329 ( -1.952 0.000 0.730) 2.084 3.475 ( -1.700 0.000 -0.244) 1.717 3.550 ( 1.158 0.000 0.377) 1.218 3.680 ( 0.615 0.000 -0.439) 0.756 3.782 ( -1.875 0.000 -0.695) 2.000 3.831 ( 0.341 0.000 0.999) 1.055 3.870 ( 2.325 0.000 -2.675) 3.545 4.057 ( -1.328 0.000 1.087) 1.716 4.133 ( 0.016 0.000 -0.544) 0.544 4.289 ( 0.434 0.000 -1.523) 1.584 4.301 ( 1.098 0.000 0.824) 1.373 4.385 ( -0.900 0.000 3.105) 3.233 4.386 ( 1.727 0.000 -0.427) 1.779 4.882 ( -0.835 0.000 0.444) 0.946 5.066 ( 1.175 0.000 -0.612) 1.325 6.224 ( -0.814 0.000 -0.038) 0.815 6.277 ( -0.137 0.000 0.043) 0.144 8.311 ( -0.680 0.000 -0.368) 0.773 8.414 ( 0.374 0.000 -0.105) 0.389 12.625 ( 0.636 0.000 1.063) 1.238 12.705 ( -1.130 0.000 0.454) 1.217 12.716 ( 0.287 0.000 -0.027) 0.288 12.826 ( -0.326 0.000 0.104) 0.342 12.900 ( -0.056 0.000 0.917) 0.919 13.128 ( 2.567 0.000 -2.112) 3.324 13.130 ( -0.218 0.000 0.358) 0.420 13.223 ( -0.223 0.000 0.377) 0.438 13.783 ( 0.893 0.000 0.559) 1.053 13.816 ( 1.324 0.000 -0.926) 1.615 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 4.407 0.000 0.537) 4.440 0.909 ( -4.422 0.000 -0.030) 4.422 0.924 ( -1.453 0.000 -2.097) 2.551 1.039 ( 1.110 0.000 4.731) 4.860 1.094 ( -0.530 0.000 -1.755) 1.833 1.159 ( 3.387 0.000 2.929) 4.477 1.189 ( 3.065 0.000 -1.317) 3.336 1.210 ( -1.655 0.000 -6.716) 6.917 1.346 ( 2.694 0.000 -0.491) 2.739 1.438 ( 1.612 0.000 0.679) 1.749 1.530 ( -7.010 0.000 0.419) 7.023 1.564 ( 1.108 0.000 -5.714) 5.820 1.844 ( 4.545 0.000 2.073) 4.995 1.902 ( -4.133 0.000 3.024) 5.121 1.973 ( 0.661 0.000 1.956) 2.065 2.043 ( 0.403 0.000 2.071) 2.109 2.128 ( -4.230 0.000 1.440) 4.469 2.226 ( -1.394 0.000 2.498) 2.860 2.287 ( 4.262 0.000 -3.406) 5.456 2.388 ( -2.353 0.000 0.117) 2.356 2.427 ( -2.773 0.000 1.707) 3.256 2.524 ( 0.619 0.000 -0.185) 0.646 2.532 ( -0.221 0.000 1.246) 1.265 2.540 ( -0.942 0.000 -2.723) 2.881 2.633 ( 2.767 0.000 0.292) 2.782 2.725 ( 1.784 0.000 -1.907) 2.612 2.824 ( 0.280 0.000 0.828) 0.874 2.940 ( -0.922 0.000 1.417) 1.691 3.243 ( 1.099 0.000 -4.227) 4.367 3.257 ( -0.879 0.000 -1.635) 1.856 3.311 ( -1.260 0.000 1.495) 1.955 3.336 ( 3.665 0.000 -0.174) 3.669 3.456 ( -2.712 0.000 2.385) 3.611 3.560 ( 0.084 0.000 -0.390) 0.399 3.677 ( 0.282 0.000 -1.432) 1.460 3.768 ( -0.189 0.000 1.400) 1.412 3.792 ( -0.170 0.000 -4.397) 4.400 3.930 ( 2.223 0.000 3.004) 3.736 4.051 ( -0.931 0.000 1.170) 1.495 4.104 ( -0.419 0.000 -3.554) 3.579 4.296 ( 1.203 0.000 0.095) 1.207 4.321 ( -0.138 0.000 0.910) 0.920 4.400 ( -1.498 0.000 3.096) 3.440 4.412 ( 1.073 0.000 0.930) 1.420 4.885 ( -0.296 0.000 1.684) 1.710 5.070 ( 0.576 0.000 -1.167) 1.301 6.214 ( -0.320 0.000 -0.101) 0.336 6.269 ( -0.275 0.000 -0.848) 0.891 8.306 ( 0.108 0.000 0.432) 0.445 8.412 ( -0.005 0.000 -0.755) 0.756 12.646 ( 0.148 0.000 1.412) 1.420 12.694 ( -0.745 0.000 0.714) 1.032 12.722 ( 0.213 0.000 0.314) 0.380 12.809 ( -0.485 0.000 -0.811) 0.945 12.919 ( -0.131 0.000 1.778) 1.783 13.131 ( -0.238 0.000 0.527) 0.578 13.143 ( 2.413 0.000 -2.637) 3.574 13.216 ( -0.999 0.000 0.130) 1.008 13.793 ( 0.007 0.000 -0.088) 0.088 13.825 ( 0.928 0.000 -0.928) 1.313 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -3.332 0.000 -2.073) 3.924 0.815 ( 0.224 0.000 5.405) 5.409 0.836 ( -5.751 0.000 -1.959) 6.075 1.075 ( -0.690 0.000 0.630) 0.934 1.092 ( -0.212 0.000 1.987) 1.998 1.105 ( -1.464 0.000 -3.986) 4.246 1.179 ( 0.585 0.000 -3.668) 3.714 1.308 ( 8.005 0.000 2.820) 8.487 1.396 ( 1.397 0.000 -3.691) 3.947 1.424 ( -4.999 0.000 1.364) 5.181 1.493 ( 3.363 0.000 -0.131) 3.365 1.524 ( 2.006 0.000 -4.860) 5.258 1.853 ( -4.582 0.000 1.760) 4.909 1.952 ( 1.622 0.000 3.692) 4.033 2.000 ( 1.612 0.000 4.178) 4.478 2.027 ( -6.641 0.000 -3.502) 7.508 2.077 ( -0.291 0.000 3.134) 3.147 2.233 ( -0.854 0.000 2.494) 2.636 2.307 ( 2.527 0.000 -3.785) 4.551 2.337 ( -3.309 0.000 0.005) 3.309 2.440 ( 1.894 0.000 1.605) 2.482 2.476 ( -1.058 0.000 -3.122) 3.296 2.534 ( 0.952 0.000 -0.353) 1.015 2.547 ( -2.055 0.000 3.117) 3.733 2.680 ( 3.564 0.000 -0.599) 3.614 2.739 ( 2.114 0.000 -1.829) 2.795 2.862 ( 1.746 0.000 2.485) 3.037 2.925 ( -2.075 0.000 0.355) 2.105 3.212 ( 1.250 0.000 -3.272) 3.503 3.222 ( -0.175 0.000 -2.596) 2.602 3.304 ( -1.512 0.000 1.004) 1.815 3.412 ( 4.792 0.000 0.336) 4.804 3.431 ( -3.705 0.000 2.730) 4.602 3.544 ( -0.998 0.000 -1.092) 1.479 3.661 ( -0.121 0.000 -1.601) 1.606 3.743 ( -0.346 0.000 -4.002) 4.017 3.812 ( 2.462 0.000 3.280) 4.101 3.976 ( 0.439 0.000 0.034) 0.440 4.046 ( -1.274 0.000 0.501) 1.369 4.064 ( 0.291 0.000 -1.766) 1.790 4.307 ( -1.810 0.000 -0.614) 1.911 4.322 ( 1.317 0.000 0.630) 1.460 4.410 ( -1.575 0.000 3.081) 3.460 4.442 ( 0.488 0.000 2.150) 2.205 4.907 ( 0.014 0.000 2.562) 2.562 5.058 ( -0.009 0.000 -1.807) 1.807 6.214 ( 0.343 0.000 0.049) 0.346 6.252 ( -0.162 0.000 -1.345) 1.355 8.323 ( 0.726 0.000 1.165) 1.372 8.397 ( -0.328 0.000 -1.504) 1.540 12.657 ( -1.095 0.000 2.057) 2.330 12.702 ( 0.325 0.000 0.923) 0.979 12.727 ( -0.057 0.000 0.333) 0.338 12.795 ( 0.199 0.000 -1.657) 1.669 12.933 ( -0.890 0.000 2.448) 2.604 13.135 ( -0.234 0.000 0.940) 0.968 13.145 ( 1.943 0.000 -3.237) 3.775 13.195 ( -1.461 0.000 -0.210) 1.476 13.782 ( -1.011 0.000 -0.398) 1.087 13.825 ( 0.363 0.000 -0.835) 0.910 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -11.441 0.000 -0.083) 11.441 0.708 ( -9.347 0.000 0.459) 9.358 0.949 ( 4.427 0.000 5.508) 7.066 1.025 ( -5.742 0.000 -0.597) 5.773 1.070 ( 1.688 0.000 -3.199) 3.617 1.093 ( -1.677 0.000 -4.650) 4.943 1.151 ( 0.717 0.000 -1.982) 2.107 1.316 ( -3.701 0.000 -2.169) 4.290 1.368 ( -4.062 0.000 1.806) 4.445 1.435 ( 3.088 0.000 0.283) 3.101 1.500 ( 1.365 0.000 -0.319) 1.402 1.580 ( 8.633 0.000 -2.688) 9.042 1.751 ( -9.788 0.000 -2.510) 10.105 1.942 ( 2.887 0.000 -1.383) 3.201 1.948 ( -2.885 0.000 2.364) 3.729 2.096 ( -0.998 0.000 2.178) 2.396 2.135 ( 3.485 0.000 6.357) 7.250 2.247 ( -3.069 0.000 -3.167) 4.410 2.260 ( 0.239 0.000 3.146) 3.155 2.328 ( -0.319 0.000 1.259) 1.299 2.448 ( 0.315 0.000 -1.443) 1.477 2.509 ( 5.535 0.000 -0.857) 5.601 2.547 ( -2.214 0.000 3.977) 4.552 2.553 ( 1.982 0.000 0.045) 1.983 2.730 ( 3.388 0.000 -0.913) 3.509 2.744 ( 1.399 0.000 -2.334) 2.722 2.883 ( -2.708 0.000 -0.895) 2.853 2.922 ( 1.802 0.000 2.566) 3.135 3.193 ( -0.226 0.000 -2.600) 2.610 3.223 ( 3.083 0.000 -1.164) 3.296 3.285 ( -0.907 0.000 -0.504) 1.038 3.401 ( -3.827 0.000 3.288) 5.045 3.489 ( 4.532 0.000 -0.453) 4.554 3.513 ( -1.620 0.000 -0.266) 1.641 3.638 ( -1.144 0.000 -0.554) 1.271 3.690 ( -1.120 0.000 -3.281) 3.467 3.907 ( 3.429 0.000 4.349) 5.538 3.951 ( 0.685 0.000 -4.409) 4.462 4.016 ( -1.595 0.000 -1.399) 2.121 4.073 ( -0.525 0.000 2.011) 2.078 4.262 ( -2.379 0.000 -0.788) 2.506 4.345 ( 0.539 0.000 0.468) 0.714 4.411 ( -1.936 0.000 1.949) 2.748 4.475 ( 0.538 0.000 2.390) 2.450 4.936 ( -0.084 0.000 2.636) 2.637 5.031 ( -0.355 0.000 -2.410) 2.436 6.226 ( 0.817 0.000 0.387) 0.904 6.238 ( 0.185 0.000 -1.152) 1.167 8.351 ( 0.823 0.000 1.376) 1.603 8.370 ( -0.432 0.000 -2.136) 2.179 12.666 ( -1.191 0.000 3.415) 3.616 12.715 ( -0.008 0.000 0.769) 0.770 12.727 ( -0.217 0.000 -0.178) 0.281 12.776 ( 0.035 0.000 -1.835) 1.835 12.948 ( -0.805 0.000 2.571) 2.694 13.131 ( 0.979 0.000 -3.568) 3.700 13.143 ( -0.370 0.000 1.432) 1.479 13.170 ( -0.930 0.000 -0.812) 1.235 13.757 ( -1.506 0.000 -0.161) 1.515 13.819 ( -0.072 0.000 -0.655) 0.659 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -13.201 0.000 5.589) 14.335 0.517 ( -13.597 0.000 -4.570) 14.345 0.823 ( -18.138 0.000 0.022) 18.138 0.958 ( -4.457 0.000 -0.681) 4.509 1.056 ( 1.853 0.000 3.664) 4.106 1.073 ( 3.234 0.000 -3.362) 4.665 1.157 ( -0.809 0.000 0.112) 0.816 1.295 ( 0.676 0.000 1.583) 1.722 1.379 ( 2.321 0.000 1.374) 2.697 1.418 ( -0.428 0.000 -3.387) 3.414 1.543 ( 2.040 0.000 0.338) 2.067 1.553 ( -10.084 0.000 -1.402) 10.181 1.710 ( 9.044 0.000 -1.056) 9.105 1.938 ( -1.857 0.000 2.248) 2.916 2.021 ( 5.723 0.000 0.468) 5.742 2.103 ( -0.246 0.000 1.310) 1.333 2.169 ( -2.221 0.000 -1.714) 2.805 2.202 ( -0.652 0.000 1.681) 1.803 2.296 ( -0.250 0.000 2.460) 2.473 2.340 ( -0.832 0.000 1.780) 1.965 2.430 ( -1.672 0.000 -0.450) 1.732 2.579 ( 4.746 0.000 -2.475) 5.353 2.587 ( 1.858 0.000 4.091) 4.494 2.603 ( 3.308 0.000 1.147) 3.501 2.744 ( 1.834 0.000 -2.431) 3.045 2.758 ( 1.751 0.000 -1.847) 2.545 2.823 ( -2.639 0.000 -1.143) 2.875 2.969 ( 0.867 0.000 2.055) 2.230 3.150 ( -1.079 0.000 -2.843) 3.041 3.273 ( 3.123 0.000 0.411) 3.150 3.280 ( 1.363 0.000 -0.550) 1.470 3.382 ( -1.960 0.000 1.398) 2.408 3.485 ( -2.518 0.000 0.735) 2.623 3.541 ( 2.732 0.000 -0.990) 2.906 3.620 ( -1.832 0.000 2.124) 2.805 3.647 ( -0.485 0.000 -1.292) 1.380 3.915 ( 1.102 0.000 -5.070) 5.188 3.941 ( -2.613 0.000 -0.484) 2.658 4.039 ( 4.943 0.000 1.851) 5.279 4.081 ( -1.207 0.000 2.709) 2.966 4.224 ( -1.738 0.000 0.010) 1.738 4.337 ( -1.780 0.000 -0.472) 1.841 4.391 ( -2.061 0.000 0.549) 2.133 4.509 ( 0.951 0.000 1.298) 1.609 4.959 ( -0.450 0.000 2.047) 2.096 4.996 ( -0.303 0.000 -3.083) 3.098 6.234 ( 0.458 0.000 -0.503) 0.680 6.245 ( 0.786 0.000 0.620) 1.001 8.338 ( -0.418 0.000 -2.267) 2.305 8.375 ( 0.451 0.000 1.017) 1.113 12.700 ( -0.221 0.000 3.417) 3.424 12.714 ( -0.182 0.000 -1.282) 1.295 12.722 ( -0.482 0.000 3.571) 3.603 12.763 ( -0.008 0.000 -0.633) 0.634 12.961 ( -0.731 0.000 1.930) 2.064 13.101 ( 0.695 0.000 -4.477) 4.530 13.144 ( -0.852 0.000 -1.545) 1.764 13.152 ( -0.662 0.000 1.545) 1.681 13.734 ( -1.391 0.000 0.300) 1.423 13.810 ( -0.218 0.000 -0.536) 0.579 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -11.065 0.000 3.294) 11.545 0.331 ( -11.655 0.000 14.066) 18.268 0.603 ( -22.837 0.000 20.309) 30.561 0.937 ( -0.022 0.000 2.027) 2.027 1.058 ( 0.969 0.000 -3.719) 3.843 1.122 ( 1.677 0.000 1.614) 2.328 1.130 ( -0.827 0.000 -2.635) 2.762 1.316 ( 1.690 0.000 1.108) 2.021 1.381 ( 0.947 0.000 -3.620) 3.742 1.400 ( -2.734 0.000 0.102) 2.736 1.559 ( 7.815 0.000 13.537) 15.631 1.561 ( 0.417 0.000 -0.217) 0.470 1.818 ( 6.066 0.000 -2.622) 6.608 1.920 ( -1.484 0.000 -0.336) 1.521 2.101 ( 1.498 0.000 0.240) 1.517 2.115 ( 3.001 0.000 -2.968) 4.220 2.131 ( -1.840 0.000 -0.592) 1.933 2.201 ( -0.735 0.000 1.231) 1.434 2.288 ( -3.186 0.000 0.567) 3.236 2.333 ( -0.556 0.000 -0.318) 0.640 2.397 ( -3.446 0.000 4.237) 5.461 2.601 ( 2.284 0.000 -2.973) 3.749 2.666 ( 1.989 0.000 0.877) 2.174 2.674 ( 3.317 0.000 1.496) 3.639 2.705 ( -0.172 0.000 -4.965) 4.968 2.734 ( -0.478 0.000 -5.860) 5.879 2.817 ( 0.922 0.000 1.012) 1.369 3.017 ( 2.484 0.000 2.940) 3.848 3.117 ( 0.510 0.000 -1.138) 1.247 3.311 ( 0.183 0.000 0.202) 0.273 3.319 ( 2.816 0.000 1.515) 3.197 3.373 ( 0.586 0.000 0.400) 0.710 3.437 ( -3.983 0.000 -0.102) 3.985 3.549 ( 0.323 0.000 -2.019) 2.044 3.634 ( -1.153 0.000 4.322) 4.473 3.645 ( 0.066 0.000 0.447) 0.452 3.850 ( -2.384 0.000 -5.811) 6.281 3.896 ( -1.022 0.000 -1.364) 1.704 4.113 ( 0.986 0.000 1.513) 1.806 4.137 ( 4.430 0.000 1.341) 4.629 4.205 ( -0.874 0.000 0.558) 1.037 4.281 ( -3.606 0.000 -1.284) 3.828 4.359 ( -1.434 0.000 -1.015) 1.756 4.524 ( 0.301 0.000 -0.854) 0.905 4.947 ( -1.183 0.000 -2.848) 3.084 4.966 ( -0.897 0.000 1.217) 1.512 6.240 ( 0.442 0.000 0.161) 0.470 6.261 ( 0.255 0.000 0.551) 0.607 8.320 ( 0.594 0.000 0.661) 0.889 8.386 ( -0.114 0.000 0.360) 0.378 12.701 ( 0.311 0.000 -0.922) 0.973 12.701 ( -0.158 0.000 -0.249) 0.295 12.757 ( -0.282 0.000 -0.295) 0.408 12.826 ( 2.076 0.000 2.664) 3.377 12.967 ( -0.749 0.000 1.451) 1.633 13.029 ( -0.536 0.000 -5.023) 5.051 13.119 ( -0.945 0.000 0.914) 1.314 13.154 ( -0.997 0.000 1.083) 1.471 13.720 ( -0.921 0.000 0.639) 1.121 13.801 ( -0.060 0.000 -0.597) 0.600 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.129 5.746 13.081) 14.289 0.444 ( -3.947 8.075 11.247) 14.397 0.785 ( -2.481 10.256 16.217) 19.348 0.965 ( 0.263 1.973 3.536) 4.058 1.002 ( -0.081 -0.656 -4.243) 4.294 1.133 ( 1.992 2.061 -2.136) 3.574 1.174 ( 1.169 2.071 0.890) 2.539 1.292 ( -1.259 -3.668 0.884) 3.978 1.370 ( 0.996 1.123 -0.967) 1.785 1.438 ( -1.230 2.620 1.286) 3.168 1.556 ( 0.996 -0.403 -0.815) 1.349 1.706 ( 1.577 -9.924 13.071) 16.487 1.799 ( -0.092 -2.621 -1.644) 3.095 1.814 ( 1.025 0.510 -0.501) 1.249 2.029 ( -1.569 1.069 -5.312) 5.641 2.094 ( -0.816 -1.573 -1.923) 2.615 2.123 ( -1.456 0.259 -1.726) 2.272 2.203 ( -0.878 1.843 -1.108) 2.322 2.264 ( 1.155 -2.195 -1.304) 2.802 2.384 ( 0.529 2.613 -1.176) 2.914 2.433 ( -2.732 0.954 1.822) 3.420 2.494 ( -1.417 -4.523 -0.211) 4.744 2.623 ( 2.550 -1.982 -1.309) 3.485 2.641 ( -0.182 0.101 -4.677) 4.682 2.691 ( 1.252 -2.950 -0.022) 3.205 2.703 ( -0.608 -0.434 -0.233) 0.783 2.882 ( -1.059 3.396 -1.577) 3.891 3.031 ( -1.590 0.841 -0.920) 2.020 3.134 ( 1.928 -0.013 0.733) 2.062 3.283 ( 0.537 -0.809 -1.933) 2.163 3.342 ( -1.724 -2.840 0.748) 3.406 3.395 ( 0.041 -0.565 0.188) 0.597 3.419 ( 2.121 1.089 3.017) 3.846 3.536 ( -0.616 0.554 -1.585) 1.788 3.633 ( 2.258 -0.227 0.679) 2.369 3.698 ( -2.527 1.897 1.877) 3.676 3.804 ( 2.388 -1.255 1.917) 3.309 3.861 ( 0.317 -2.521 0.057) 2.542 4.045 ( -0.909 -1.116 2.584) 2.958 4.116 ( -1.512 -2.420 -1.169) 3.084 4.237 ( 0.114 -0.495 0.484) 0.702 4.260 ( 0.593 2.042 0.087) 2.128 4.352 ( 0.250 0.932 0.075) 0.968 4.500 ( -1.271 -0.144 -2.413) 2.731 4.943 ( 0.740 -0.598 0.475) 1.063 4.993 ( 0.023 0.754 -2.328) 2.447 6.252 ( 0.269 0.201 0.444) 0.557 6.259 ( -0.319 -0.438 0.351) 0.645 8.336 ( 0.871 -1.375 0.940) 1.879 8.391 ( 0.136 -0.627 -1.085) 1.260 12.620 ( -3.755 -1.744 2.033) 4.613 12.679 ( 0.067 -1.677 0.137) 1.684 12.748 ( 0.680 1.158 -0.923) 1.629 12.754 ( -0.489 1.138 -0.859) 1.508 13.027 ( -2.211 4.582 -0.803) 5.151 13.103 ( 2.290 1.958 -0.797) 3.116 13.137 ( -0.351 0.928 0.431) 1.082 13.203 ( 1.705 2.590 0.004) 3.101 13.728 ( -0.204 0.887 0.881) 1.267 13.796 ( 0.333 0.018 -0.601) 0.687 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 0.175 5.988 10.248) 11.870 0.601 ( 0.743 6.336 12.210) 13.776 0.912 ( 0.165 -2.047 -1.808) 2.736 0.951 ( 0.912 0.468 0.353) 1.084 1.044 ( 3.321 1.047 2.472) 4.271 1.148 ( 0.925 0.593 -1.283) 1.689 1.186 ( 1.043 1.627 -2.175) 2.909 1.293 ( -1.562 -0.407 8.489) 8.641 1.412 ( 2.375 -0.329 -0.871) 2.551 1.432 ( -1.120 1.738 4.997) 5.408 1.561 ( 0.732 1.282 -0.912) 1.735 1.721 ( -2.823 -1.828 -5.501) 6.448 1.812 ( -0.619 -1.240 9.073) 9.179 1.858 ( -0.013 -0.272 1.007) 1.043 1.953 ( 0.629 0.216 -5.696) 5.735 2.069 ( 2.410 1.865 -2.843) 4.168 2.109 ( -0.334 -0.608 1.537) 1.686 2.149 ( -2.685 1.002 -3.017) 4.161 2.298 ( 1.770 -1.941 2.791) 3.833 2.358 ( -4.025 1.017 -1.442) 4.395 2.385 ( 0.478 0.428 -1.460) 1.594 2.482 ( -0.944 -4.275 -0.259) 4.386 2.611 ( 0.442 -1.536 -2.191) 2.711 2.630 ( -0.800 0.454 -1.333) 1.619 2.691 ( -0.751 1.034 -0.265) 1.305 2.699 ( 2.408 -3.522 -2.538) 4.964 2.864 ( -1.014 2.011 1.263) 2.582 2.983 ( -1.618 2.185 -2.142) 3.461 3.180 ( 1.747 -0.879 1.533) 2.485 3.255 ( -0.526 -0.848 -3.902) 4.028 3.320 ( -1.624 -0.841 1.533) 2.386 3.390 ( -0.640 0.514 0.545) 0.986 3.480 ( 1.450 0.395 1.980) 2.486 3.542 ( 1.748 -1.546 0.069) 2.335 3.640 ( -3.083 0.169 0.726) 3.172 3.694 ( 1.537 -0.030 2.181) 2.669 3.864 ( 1.396 -1.692 -1.062) 2.437 3.891 ( 3.177 -0.795 -0.771) 3.364 4.051 ( -1.499 -1.397 1.746) 2.692 4.078 ( -0.675 -0.814 0.355) 1.115 4.248 ( 0.540 0.897 0.833) 1.338 4.294 ( 2.638 -0.357 -0.338) 2.683 4.359 ( -0.158 0.813 0.635) 1.044 4.440 ( -1.768 0.626 -3.263) 3.764 4.932 ( -1.599 -0.043 -0.625) 1.718 5.000 ( 2.077 -1.200 -0.167) 2.404 6.252 ( -0.803 -0.280 0.127) 0.860 6.263 ( 0.173 0.086 0.671) 0.698 8.346 ( -0.503 -1.113 -0.104) 1.226 8.382 ( 0.306 -0.965 -0.367) 1.077 12.600 ( -1.090 -0.039 1.384) 1.763 12.692 ( 0.797 -1.551 0.633) 1.855 12.738 ( -0.369 0.808 -0.657) 1.105 12.760 ( 1.634 0.999 -0.455) 1.969 12.987 ( -2.650 3.210 0.296) 4.173 13.120 ( 0.576 1.219 -0.509) 1.441 13.135 ( 0.811 1.985 -0.353) 2.173 13.231 ( 1.812 2.653 -0.172) 3.217 13.740 ( 0.411 0.804 1.021) 1.363 13.797 ( 0.773 0.084 -0.698) 1.045 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 6.455 3.570 8.338) 11.133 0.741 ( 1.320 3.798 6.673) 7.791 0.820 ( -1.888 0.395 -3.988) 4.430 0.988 ( 1.626 0.372 0.331) 1.701 1.094 ( 2.259 -1.514 -1.265) 2.999 1.125 ( 0.076 -0.237 -2.640) 2.651 1.159 ( -0.589 -1.541 -1.999) 2.592 1.355 ( -3.082 -1.053 3.471) 4.759 1.424 ( 1.037 -2.595 -0.011) 2.795 1.497 ( -3.012 1.097 3.932) 5.074 1.569 ( 0.703 2.584 3.010) 4.029 1.622 ( -0.449 -1.410 -5.347) 5.548 1.819 ( 1.367 1.128 -5.478) 5.757 1.890 ( -1.889 -0.485 2.912) 3.505 1.951 ( 1.495 1.264 2.862) 3.467 2.046 ( -0.804 5.887 -1.949) 6.253 2.144 ( 0.538 0.878 4.345) 4.465 2.159 ( 5.498 -0.822 -0.478) 5.580 2.262 ( -5.571 0.703 0.910) 5.689 2.367 ( 1.655 -0.447 0.242) 1.731 2.403 ( 3.278 -2.176 0.973) 4.053 2.458 ( -1.488 -3.772 0.366) 4.071 2.562 ( -4.829 -1.347 0.155) 5.016 2.605 ( 0.115 0.345 -2.180) 2.210 2.656 ( -0.161 1.641 -2.956) 3.385 2.720 ( 2.353 -2.092 -2.382) 3.948 2.868 ( -0.660 0.048 1.048) 1.240 2.945 ( -0.816 3.242 -0.654) 3.406 3.197 ( -0.140 -2.177 -1.241) 2.510 3.232 ( 2.103 -0.313 -0.489) 2.181 3.311 ( -1.651 -0.780 0.847) 2.013 3.397 ( -0.512 2.225 2.186) 3.162 3.499 ( -0.520 -0.476 -1.594) 1.743 3.553 ( 0.572 1.483 -0.176) 1.599 3.622 ( 0.215 -3.860 0.779) 3.943 3.758 ( 1.570 -0.935 3.506) 3.953 3.836 ( -1.364 0.095 -2.116) 2.519 3.901 ( 1.396 0.224 -3.802) 4.057 4.056 ( -0.640 -1.094 2.210) 2.547 4.093 ( 0.406 -1.516 0.825) 1.773 4.271 ( 1.415 -0.163 0.261) 1.448 4.321 ( 0.942 0.846 -0.774) 1.484 4.357 ( -0.077 -0.110 0.181) 0.225 4.395 ( -0.570 1.087 -0.643) 1.386 4.900 ( -1.315 0.016 -0.475) 1.399 5.032 ( 1.759 -1.381 0.129) 2.240 6.238 ( -0.986 -0.153 0.036) 0.998 6.271 ( 0.034 -0.155 0.537) 0.560 8.326 ( -1.077 -0.706 -0.709) 1.470 8.390 ( 0.524 -1.435 0.157) 1.536 12.609 ( 0.269 0.245 1.052) 1.113 12.708 ( 0.006 -0.788 0.620) 1.003 12.728 ( -0.012 1.004 -0.482) 1.114 12.787 ( 1.629 -0.891 0.132) 1.861 12.948 ( -2.230 2.970 0.191) 3.720 13.114 ( -0.613 -0.263 0.149) 0.684 13.158 ( 2.475 3.904 -0.976) 4.724 13.256 ( 1.311 3.383 0.014) 3.628 13.762 ( 0.896 0.531 0.893) 1.372 13.804 ( 1.100 -0.015 -0.773) 1.345 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -0.902 0.114 -5.797) 5.867 0.851 ( 5.996 0.782 5.210) 7.982 0.909 ( 2.878 2.392 6.576) 7.566 1.012 ( 0.802 0.798 0.573) 1.268 1.091 ( 0.428 -1.596 -0.926) 1.894 1.122 ( 2.698 -1.333 -4.324) 5.268 1.139 ( -0.466 0.220 1.725) 1.800 1.309 ( -2.992 -3.901 -2.870) 5.692 1.368 ( -3.878 1.255 -2.150) 4.609 1.450 ( -3.020 0.660 0.238) 3.101 1.581 ( 0.633 -1.802 -3.149) 3.683 1.607 ( -2.130 0.043 1.178) 2.435 1.808 ( 4.107 2.638 -3.357) 5.924 1.891 ( -1.318 -0.839 2.567) 3.006 1.979 ( -1.163 3.490 2.767) 4.603 2.057 ( 1.417 3.970 0.733) 4.278 2.186 ( -4.005 2.495 5.085) 6.937 2.213 ( -0.310 -0.082 1.347) 1.384 2.235 ( 4.920 -0.878 -2.713) 5.687 2.382 ( 1.532 -2.150 -1.018) 2.829 2.451 ( 0.430 -3.063 0.282) 3.106 2.463 ( -4.214 -1.431 2.749) 5.231 2.506 ( 0.309 -1.057 3.373) 3.548 2.582 ( 0.379 -1.220 -3.222) 3.466 2.634 ( 0.564 3.670 -1.348) 3.950 2.719 ( 1.399 -1.306 -2.370) 3.046 2.857 ( -0.709 1.921 -0.323) 2.073 2.945 ( -0.324 2.084 1.673) 2.692 3.207 ( 2.762 -2.295 -0.786) 3.677 3.259 ( 0.910 -0.542 -0.082) 1.063 3.287 ( -1.108 -1.223 -0.853) 1.858 3.406 ( -1.669 4.541 1.510) 5.068 3.451 ( -1.088 -1.557 -1.756) 2.587 3.575 ( 1.008 1.637 0.658) 2.031 3.634 ( 0.854 -4.313 -0.595) 4.436 3.773 ( -1.132 -2.008 -0.995) 2.511 3.821 ( -0.802 0.282 0.507) 0.990 3.888 ( 2.387 1.617 -1.316) 3.169 4.061 ( -0.950 0.175 0.847) 1.285 4.095 ( -0.131 -3.258 -0.714) 3.338 4.293 ( 1.013 -0.510 -0.081) 1.137 4.316 ( 0.158 1.818 -0.042) 1.825 4.372 ( 0.982 -0.686 0.357) 1.250 4.396 ( -0.599 0.338 1.784) 1.912 4.883 ( -0.702 0.241 0.406) 0.845 5.055 ( 1.130 -1.181 -0.369) 1.676 6.223 ( -0.812 -0.108 -0.004) 0.819 6.274 ( -0.126 -0.325 -0.033) 0.350 8.305 ( -0.673 -0.609 -0.333) 0.967 8.397 ( 0.292 -1.666 -0.102) 1.695 12.629 ( 0.628 0.336 1.113) 1.321 12.706 ( -0.747 0.074 0.438) 0.869 12.728 ( 0.303 1.107 -0.079) 1.151 12.801 ( -0.115 -2.258 -0.166) 2.267 12.932 ( -0.369 3.210 0.948) 3.367 13.108 ( -0.604 -0.645 0.574) 1.054 13.185 ( 2.529 4.503 -1.571) 5.398 13.269 ( 0.413 4.000 -0.189) 4.026 13.785 ( 0.845 0.234 0.450) 0.986 13.814 ( 1.108 -0.248 -0.849) 1.418 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.882 -0.504 0.635) 3.965 0.910 ( -2.199 1.110 -0.063) 2.464 0.952 ( -1.816 1.356 -1.523) 2.730 1.048 ( 0.449 0.299 3.824) 3.862 1.096 ( -0.018 -0.371 -0.178) 0.412 1.144 ( -1.904 -0.889 0.565) 2.176 1.146 ( 3.792 -1.985 -0.691) 4.336 1.240 ( 2.447 -0.026 -4.292) 4.941 1.332 ( 0.776 -0.654 -0.146) 1.025 1.435 ( 0.729 0.716 1.131) 1.525 1.540 ( -3.799 0.269 -0.707) 3.873 1.550 ( -0.630 -1.106 -4.192) 4.381 1.869 ( 4.584 2.265 0.979) 5.206 1.884 ( -2.694 -0.784 1.795) 3.330 1.989 ( -0.883 1.769 1.381) 2.412 2.084 ( 0.560 3.768 1.579) 4.124 2.162 ( -3.749 2.705 1.805) 4.962 2.210 ( -1.995 -0.796 1.584) 2.669 2.281 ( 4.588 -1.201 -3.105) 5.669 2.383 ( -0.349 -1.943 -0.730) 2.105 2.411 ( -4.076 -1.377 2.744) 5.103 2.468 ( 0.033 -0.672 0.484) 0.829 2.535 ( -0.638 -0.473 -1.514) 1.710 2.562 ( 1.091 -1.960 -0.028) 2.243 2.648 ( 1.683 2.715 0.515) 3.235 2.724 ( 1.717 -0.247 -1.406) 2.233 2.854 ( 0.052 3.124 0.959) 3.268 2.956 ( -0.859 1.628 1.569) 2.419 3.238 ( -1.332 -1.124 -1.218) 2.126 3.248 ( 2.142 -2.525 -0.856) 3.420 3.275 ( 0.834 0.557 -1.584) 1.874 3.393 ( 1.323 3.608 -1.011) 3.974 3.436 ( -2.050 -1.230 2.043) 3.145 3.587 ( -0.255 1.788 0.183) 1.815 3.636 ( 0.620 -3.795 -1.214) 4.033 3.748 ( -0.063 -2.721 -2.054) 3.410 3.793 ( -0.523 0.898 -1.135) 1.539 3.939 ( 1.730 0.951 2.557) 3.230 4.048 ( -0.864 -1.273 -0.863) 1.764 4.080 ( -0.008 -1.395 -1.069) 1.757 4.304 ( 0.494 -0.056 0.148) 0.519 4.326 ( 0.201 1.049 0.745) 1.302 4.389 ( -0.490 -0.904 1.904) 2.163 4.410 ( -0.033 -0.471 1.516) 1.588 4.886 ( -0.256 0.226 1.434) 1.474 5.059 ( 0.411 -1.179 -1.102) 1.665 6.213 ( -0.320 -0.031 -0.003) 0.321 6.267 ( -0.202 -0.248 -0.748) 0.814 8.300 ( 0.081 -0.585 0.453) 0.744 8.396 ( 0.005 -1.648 -0.604) 1.755 12.649 ( -0.003 0.201 1.295) 1.310 12.700 ( -0.565 0.458 0.596) 0.940 12.733 ( 0.227 0.998 0.160) 1.036 12.789 ( -0.265 -1.955 -0.752) 2.111 12.947 ( -0.170 2.922 1.900) 3.489 13.109 ( -0.386 -0.596 1.119) 1.325 13.201 ( 2.059 4.615 -2.368) 5.581 13.263 ( -0.522 4.188 -0.649) 4.270 13.794 ( 0.040 0.119 -0.169) 0.210 13.820 ( 0.821 -0.444 -0.854) 1.266 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 3.178 -0.209 3.265) 4.561 0.823 ( -6.458 2.447 0.558) 6.928 0.879 ( -3.400 3.512 -1.595) 5.142 1.057 ( -2.605 -2.544 -0.545) 3.682 1.085 ( 0.771 -1.522 -0.370) 1.746 1.105 ( 0.365 2.051 0.027) 2.083 1.213 ( -0.550 2.018 -2.260) 3.079 1.283 ( 6.442 -2.272 3.134) 7.515 1.349 ( 0.833 -3.621 -2.889) 4.706 1.439 ( -3.334 1.576 1.151) 3.863 1.504 ( 0.354 0.002 -1.181) 1.233 1.520 ( 4.492 0.402 -4.094) 6.091 1.844 ( -3.694 -0.557 1.459) 4.011 1.975 ( -1.218 0.587 -0.230) 1.371 1.981 ( 4.557 1.525 4.808) 6.798 2.069 ( -6.980 2.425 -2.955) 7.958 2.104 ( -0.646 2.485 1.385) 2.917 2.214 ( -0.534 -0.239 3.146) 3.199 2.291 ( 0.327 -1.995 -3.663) 4.183 2.370 ( 0.221 0.891 0.003) 0.918 2.391 ( 0.183 -3.642 -0.329) 3.662 2.465 ( -0.821 -0.090 2.346) 2.487 2.533 ( 0.332 0.337 0.688) 0.835 2.563 ( -0.699 0.532 -0.170) 0.895 2.688 ( 2.685 0.200 -0.181) 2.699 2.739 ( 1.960 0.545 -1.258) 2.392 2.877 ( 0.227 1.515 2.302) 2.765 2.952 ( -0.915 2.633 0.820) 2.906 3.196 ( -1.250 -0.789 -1.494) 2.102 3.266 ( 2.473 2.586 -3.205) 4.804 3.270 ( -0.542 -2.100 0.945) 2.366 3.411 ( -1.505 -1.567 0.265) 2.189 3.440 ( 2.449 2.250 1.553) 3.670 3.567 ( -1.861 1.593 -0.740) 2.559 3.626 ( -0.120 -3.232 -1.402) 3.525 3.712 ( 0.167 -2.846 -3.978) 4.894 3.815 ( 1.994 0.282 2.566) 3.262 3.975 ( 0.404 -0.114 -0.878) 0.973 4.019 ( -0.888 -1.989 0.033) 2.179 4.076 ( 0.049 0.587 -0.315) 0.667 4.303 ( -1.022 -0.219 0.051) 1.047 4.337 ( 0.560 1.074 0.264) 1.239 4.400 ( -1.410 -0.930 2.658) 3.149 4.431 ( 0.464 -1.136 1.868) 2.235 4.906 ( 0.049 -0.080 2.284) 2.286 5.044 ( -0.205 -1.460 -1.836) 2.355 6.214 ( 0.320 0.072 0.167) 0.368 6.253 ( -0.075 0.051 -1.168) 1.172 8.316 ( 0.669 -0.660 1.133) 1.472 8.384 ( -0.220 -1.315 -1.239) 1.820 12.654 ( -1.245 -0.251 1.674) 2.101 12.705 ( 0.038 0.163 0.703) 0.723 12.737 ( 0.050 0.875 0.160) 0.891 12.780 ( 0.383 -1.398 -1.227) 1.900 12.964 ( -0.774 3.158 2.635) 4.185 13.120 ( -0.135 -0.113 1.717) 1.726 13.197 ( 1.203 4.246 -3.025) 5.350 13.240 ( -0.990 3.978 -1.210) 4.275 13.783 ( -0.886 0.172 -0.455) 1.011 13.820 ( 0.352 -0.454 -0.776) 0.966 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -9.650 5.340 -0.601) 11.045 0.757 ( -7.763 4.440 1.028) 9.002 0.937 ( 3.416 -0.922 3.472) 4.957 1.018 ( -2.484 -0.657 0.260) 2.583 1.076 ( -0.175 0.426 -3.624) 3.653 1.121 ( 0.771 1.614 0.810) 1.963 1.159 ( -1.460 1.013 -3.907) 4.292 1.297 ( -1.334 -0.942 -3.049) 3.459 1.362 ( -4.759 0.183 3.694) 6.027 1.417 ( 2.346 -2.143 -0.728) 3.260 1.515 ( 2.571 1.432 0.175) 2.948 1.574 ( 6.896 -0.770 -2.943) 7.537 1.767 ( -8.179 1.768 -1.909) 8.584 1.918 ( -3.677 -1.721 -2.468) 4.751 1.972 ( 1.590 1.177 0.200) 1.989 2.102 ( -0.619 1.337 1.248) 1.931 2.125 ( 3.659 -0.464 5.887) 6.947 2.226 ( -2.752 -1.500 -1.997) 3.716 2.249 ( -0.803 -0.235 3.299) 3.404 2.369 ( -0.311 1.420 0.156) 1.462 2.427 ( 2.785 -1.342 0.781) 3.188 2.503 ( 2.452 -0.696 0.823) 2.678 2.536 ( -2.817 -0.746 3.166) 4.302 2.555 ( 2.378 0.535 -2.024) 3.169 2.717 ( 2.015 -1.820 -1.882) 3.304 2.753 ( 1.074 1.263 -1.208) 2.052 2.898 ( -0.927 1.149 2.566) 2.961 2.961 ( 1.091 3.449 0.697) 3.683 3.170 ( -0.487 -1.129 -1.129) 1.670 3.260 ( 0.638 1.316 -1.000) 1.772 3.285 ( 1.928 1.240 -0.998) 2.501 3.383 ( -2.746 -1.515 1.610) 3.525 3.500 ( 2.464 1.324 -1.122) 3.014 3.526 ( -0.994 0.454 0.315) 1.138 3.598 ( -1.385 -3.511 -1.138) 3.942 3.676 ( -0.231 -1.300 -2.351) 2.696 3.895 ( 2.929 -1.274 3.664) 4.861 3.935 ( 0.001 -1.534 -4.769) 5.010 4.019 ( -1.095 0.671 0.816) 1.522 4.067 ( -0.811 -0.543 0.120) 0.983 4.277 ( -1.830 1.237 -0.207) 2.218 4.347 ( 0.094 0.055 0.279) 0.299 4.398 ( -1.765 -1.133 1.613) 2.646 4.465 ( 0.853 -1.048 2.280) 2.650 4.933 ( -0.006 -0.330 2.254) 2.278 5.017 ( -0.217 -1.400 -1.918) 2.384 6.226 ( 0.731 0.054 0.415) 0.842 6.241 ( 0.228 0.327 -1.037) 1.111 8.341 ( 0.542 -0.906 1.020) 1.468 8.364 ( -0.037 -0.709 -1.549) 1.704 12.654 ( -1.553 -1.039 2.644) 3.238 12.705 ( -0.658 -0.830 0.038) 1.060 12.740 ( 0.200 0.911 0.089) 0.937 12.773 ( 0.506 -0.241 -1.142) 1.272 12.983 ( -0.789 3.472 2.891) 4.586 13.139 ( -0.047 0.637 1.591) 1.714 13.175 ( 0.105 3.630 -2.692) 4.520 13.209 ( -0.702 3.392 -1.850) 3.927 13.760 ( -1.322 0.379 -0.222) 1.393 13.815 ( -0.034 -0.387 -0.626) 0.737 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -10.418 5.612 -0.455) 11.842 0.617 ( -10.362 8.857 -0.344) 13.636 0.878 ( -10.338 3.944 0.129) 11.065 0.976 ( -6.243 2.950 -0.082) 6.905 1.049 ( 1.310 -0.527 2.471) 2.846 1.101 ( 2.463 3.141 -2.659) 4.796 1.167 ( -0.539 0.514 0.620) 0.969 1.253 ( -0.536 -2.339 0.343) 2.424 1.371 ( 1.288 -0.188 1.632) 2.088 1.417 ( 0.574 -0.918 -1.583) 1.918 1.537 ( -1.515 -0.562 -2.937) 3.353 1.586 ( -5.878 3.209 0.690) 6.733 1.696 ( 7.680 -1.732 -0.935) 7.928 1.864 ( -2.594 -4.177 -0.089) 4.917 2.028 ( 4.154 -0.946 0.140) 4.263 2.120 ( -0.106 2.068 1.630) 2.635 2.155 ( -1.066 -1.239 -0.427) 1.689 2.221 ( 0.033 1.957 3.013) 3.593 2.264 ( -1.430 -1.690 2.416) 3.277 2.378 ( 0.983 1.262 0.300) 1.628 2.449 ( -1.935 1.972 0.778) 2.870 2.522 ( 1.119 -4.674 0.777) 4.868 2.566 ( 2.883 -2.110 -0.513) 3.610 2.595 ( 3.278 -0.611 0.324) 3.351 2.709 ( 0.210 -2.527 -2.723) 3.721 2.746 ( 0.255 0.558 -1.168) 1.319 2.917 ( 0.559 4.565 1.412) 4.811 2.986 ( 0.640 1.841 0.855) 2.129 3.141 ( -0.683 -0.645 -2.248) 2.436 3.278 ( 1.518 0.511 0.804) 1.792 3.308 ( 2.739 1.854 -1.519) 3.639 3.360 ( -1.943 -1.557 0.779) 2.610 3.468 ( -2.209 -1.013 -0.865) 2.579 3.565 ( 2.079 1.246 0.206) 2.433 3.576 ( -0.468 -2.786 0.522) 2.873 3.655 ( -0.485 -0.159 0.189) 0.544 3.873 ( -1.354 -2.370 -3.851) 4.720 3.963 ( -0.200 -1.768 0.411) 1.826 4.008 ( 0.782 -0.091 0.202) 0.813 4.062 ( -0.409 -1.196 1.755) 2.163 4.250 ( -1.405 1.959 0.217) 2.420 4.336 ( -1.778 -0.178 -0.091) 1.789 4.379 ( -1.703 -0.898 0.190) 1.934 4.503 ( 1.108 -0.773 1.409) 1.952 4.943 ( -0.504 -0.976 0.048) 1.100 5.008 ( 0.720 0.162 -0.339) 0.812 6.237 ( 0.474 0.284 -0.461) 0.720 6.245 ( 0.636 -0.062 0.471) 0.794 8.331 ( -0.477 -0.591 -1.503) 1.684 8.372 ( 0.910 -0.556 0.540) 1.195 12.662 ( -1.975 -2.691 3.531) 4.859 12.689 ( -0.720 -1.280 -0.248) 1.489 12.745 ( 0.342 1.004 -0.028) 1.061 12.772 ( 0.346 0.414 -0.304) 0.620 13.004 ( -0.080 4.025 2.442) 4.708 13.135 ( 0.662 2.932 -3.624) 4.708 13.157 ( -1.203 1.744 0.708) 2.234 13.182 ( -0.445 2.673 -0.616) 2.779 13.739 ( -1.205 0.610 0.223) 1.369 13.807 ( -0.163 -0.282 -0.501) 0.597 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -6.828 9.358 1.595) 11.693 0.476 ( -9.138 11.825 5.677) 15.987 0.751 ( -14.501 12.895 15.347) 24.741 0.938 ( -1.006 0.709 2.266) 2.579 1.053 ( 0.616 -0.204 -4.419) 4.466 1.131 ( 1.707 1.369 0.734) 2.308 1.143 ( -0.052 1.583 -1.381) 2.102 1.271 ( 1.567 -3.611 0.868) 4.031 1.384 ( 0.617 0.743 -1.970) 2.194 1.443 ( -0.544 2.153 0.623) 2.307 1.486 ( 0.538 -3.801 9.345) 10.102 1.571 ( -0.793 0.309 1.664) 1.869 1.790 ( 4.086 -3.577 -1.258) 5.574 1.825 ( -1.743 -2.035 0.157) 2.684 2.073 ( 1.253 -3.322 -1.380) 3.809 2.114 ( 0.381 -0.353 -1.045) 1.167 2.160 ( -0.858 1.554 0.249) 1.793 2.230 ( -0.865 2.267 -0.321) 2.447 2.262 ( -0.011 -1.303 0.103) 1.307 2.388 ( 0.035 2.378 -0.162) 2.384 2.426 ( -1.728 2.412 2.335) 3.776 2.532 ( -1.030 -5.929 -0.620) 6.049 2.596 ( 2.641 -3.457 -1.790) 4.705 2.650 ( 2.839 -1.693 0.291) 3.319 2.688 ( 0.446 -0.601 -1.238) 1.447 2.726 ( -0.660 -0.787 -2.534) 2.735 2.922 ( 0.606 4.479 -3.525) 5.732 3.020 ( 1.170 0.276 3.004) 3.236 3.116 ( 0.510 0.141 -1.335) 1.436 3.303 ( -0.172 -0.873 -0.546) 1.044 3.337 ( 1.826 0.751 -0.724) 2.103 3.350 ( 0.806 -1.421 2.001) 2.583 3.420 ( -2.429 -0.877 -0.378) 2.610 3.569 ( -0.479 1.499 -1.357) 2.078 3.592 ( 1.398 -1.351 0.504) 2.008 3.679 ( 0.292 1.193 3.443) 3.656 3.808 ( -1.778 -2.905 -2.310) 4.115 3.909 ( -3.770 -1.436 -1.985) 4.496 4.026 ( -1.205 -2.156 3.372) 4.180 4.106 ( 2.590 -1.999 0.782) 3.364 4.236 ( -0.667 1.020 0.251) 1.244 4.291 ( -3.093 0.895 -0.443) 3.250 4.356 ( -0.630 0.270 -0.515) 0.857 4.523 ( 0.346 -0.651 -0.313) 0.801 4.932 ( 0.112 -0.468 -0.581) 0.754 5.015 ( 0.707 1.140 -1.513) 2.021 6.243 ( 0.463 0.296 0.065) 0.554 6.256 ( 0.114 -0.453 0.459) 0.655 8.316 ( 0.204 -0.271 0.007) 0.339 8.389 ( 0.865 -0.550 -0.191) 1.042 12.653 ( -2.576 -3.164 1.771) 4.448 12.685 ( -1.080 -2.528 1.121) 2.969 12.749 ( 0.368 0.625 -0.431) 0.844 12.774 ( -0.344 -0.199 -0.293) 0.494 13.046 ( 2.637 3.507 1.504) 4.638 13.089 ( -0.515 4.488 -4.592) 6.442 13.139 ( -0.906 2.112 0.322) 2.321 13.184 ( -0.074 2.507 1.005) 2.702 13.728 ( -0.782 0.804 0.573) 1.260 13.799 ( -0.022 -0.140 -0.506) 0.526 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 2.187 7.971 6.867) 10.746 0.638 ( -1.796 10.581 1.354) 10.818 0.874 ( -1.679 -0.008 1.997) 2.609 1.009 ( 0.347 2.330 -5.451) 5.938 1.067 ( -2.076 5.014 3.702) 6.569 1.165 ( 0.217 -4.857 -0.512) 4.889 1.189 ( 2.202 3.474 0.675) 4.168 1.266 ( 0.779 3.431 0.091) 3.520 1.395 ( 0.460 0.936 -0.323) 1.092 1.471 ( -2.382 1.014 3.247) 4.153 1.510 ( 2.908 -4.211 3.252) 6.064 1.640 ( 1.309 1.320 7.970) 8.184 1.734 ( -0.611 -2.510 -0.335) 2.605 1.859 ( 0.841 3.829 1.188) 4.096 2.016 ( -0.838 -4.923 -0.947) 5.083 2.039 ( 0.443 -0.183 -2.598) 2.642 2.131 ( -2.923 -1.542 0.578) 3.355 2.224 ( -0.501 -1.814 1.392) 2.341 2.255 ( 1.325 3.070 -3.495) 4.837 2.387 ( 0.481 -1.264 -0.218) 1.370 2.450 ( -2.573 -0.065 -1.698) 3.084 2.462 ( -2.295 1.104 -0.035) 2.547 2.578 ( 4.218 -1.600 -2.197) 5.018 2.628 ( -0.954 -1.739 -4.205) 4.649 2.635 ( -0.525 -2.842 0.564) 2.945 2.682 ( 1.037 -1.397 -0.031) 1.740 2.939 ( -1.702 2.921 -0.726) 3.458 3.042 ( -0.994 0.046 0.406) 1.075 3.144 ( 1.384 0.988 0.078) 1.702 3.257 ( 0.576 -1.751 -2.059) 2.764 3.303 ( -0.434 -1.252 0.529) 1.427 3.370 ( 1.472 -1.620 0.744) 2.312 3.446 ( 1.001 1.503 0.478) 1.868 3.545 ( -2.126 0.062 -2.579) 3.343 3.643 ( 3.112 1.376 1.045) 3.559 3.718 ( -3.217 0.309 1.724) 3.663 3.769 ( 2.631 -2.187 2.793) 4.417 3.807 ( -0.191 -2.787 1.569) 3.204 4.055 ( 0.280 1.319 0.836) 1.586 4.083 ( -0.759 -1.085 -0.994) 1.656 4.223 ( 0.734 -0.507 0.458) 1.002 4.275 ( -0.427 -0.524 -0.777) 1.030 4.387 ( -0.209 2.389 0.464) 2.442 4.488 ( -0.963 -1.045 -1.440) 2.023 4.934 ( 0.424 -0.236 0.178) 0.517 4.984 ( -0.703 -1.273 -1.704) 2.241 6.250 ( -0.226 -0.342 0.356) 0.543 6.255 ( 0.320 -0.023 0.268) 0.418 8.319 ( 0.503 -0.506 0.349) 0.794 8.364 ( 0.033 -1.807 -0.668) 1.926 12.599 ( -1.502 -0.598 1.540) 2.233 12.644 ( 0.205 -1.856 0.350) 1.899 12.760 ( 0.014 0.532 -0.452) 0.698 12.772 ( 0.285 0.457 -0.847) 1.004 13.106 ( -2.822 3.563 -0.228) 4.551 13.141 ( -0.253 1.888 0.608) 2.000 13.185 ( 1.369 3.629 -1.379) 4.116 13.249 ( 1.755 2.125 -0.222) 2.765 13.752 ( -0.072 1.528 0.728) 1.694 13.797 ( 0.287 0.066 -0.232) 0.375 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 2.461 7.446 2.576) 8.254 0.724 ( 3.071 6.599 7.959) 10.785 0.875 ( 0.443 -1.772 -1.104) 2.134 0.977 ( 0.602 2.467 -0.804) 2.664 1.055 ( 0.392 0.083 -2.597) 2.627 1.133 ( -0.291 -3.426 -2.435) 4.213 1.213 ( -2.163 1.376 -4.586) 5.254 1.297 ( 2.730 1.816 6.391) 7.183 1.382 ( -1.518 -2.827 -1.716) 3.639 1.496 ( -1.754 3.981 6.813) 8.083 1.559 ( 2.282 -2.307 -0.400) 3.270 1.685 ( -3.722 -1.220 -1.746) 4.288 1.791 ( 3.294 0.070 8.457) 9.076 1.893 ( -0.317 3.780 3.463) 5.137 1.950 ( 0.124 -1.338 -5.814) 5.967 2.064 ( 2.152 -1.330 0.003) 2.529 2.111 ( -0.560 0.929 2.686) 2.897 2.205 ( -0.929 3.435 -1.098) 3.724 2.288 ( 2.838 0.916 2.161) 3.682 2.372 ( -3.248 0.223 -2.310) 3.992 2.383 ( -0.535 -0.824 -2.067) 2.288 2.422 ( -1.102 -1.843 -1.232) 2.475 2.579 ( -0.907 -1.802 -0.730) 2.146 2.616 ( 0.066 -4.221 -1.070) 4.355 2.623 ( 2.186 -0.788 -3.086) 3.863 2.694 ( 1.058 -1.091 -0.661) 1.657 2.907 ( -2.458 2.570 0.793) 3.644 3.013 ( -1.279 0.401 -1.338) 1.894 3.167 ( 0.928 -0.079 0.560) 1.086 3.235 ( -0.061 -0.458 -2.350) 2.395 3.319 ( 0.379 -0.004 1.108) 1.171 3.386 ( 0.955 -0.824 -0.601) 1.397 3.472 ( 0.489 -0.931 0.437) 1.139 3.508 ( 0.875 -1.593 -0.401) 1.862 3.660 ( -3.844 1.518 0.292) 4.143 3.701 ( 0.704 0.709 2.708) 2.887 3.825 ( 2.143 -2.174 0.036) 3.053 3.865 ( 3.334 -1.746 1.200) 3.950 4.046 ( -1.755 0.708 0.081) 1.895 4.071 ( 0.258 0.230 0.274) 0.441 4.248 ( 0.905 -0.638 -0.048) 1.108 4.277 ( 2.283 -1.328 -0.283) 2.656 4.386 ( -0.916 1.731 0.744) 2.096 4.445 ( -1.691 -0.135 -1.857) 2.515 4.929 ( -1.209 -0.175 -0.510) 1.324 4.972 ( 1.133 -1.573 -0.198) 1.949 6.247 ( -0.585 -0.171 0.195) 0.640 6.262 ( 0.117 -0.183 0.328) 0.394 8.326 ( -0.236 -0.888 -0.003) 0.919 8.356 ( 0.053 -1.630 -0.556) 1.723 12.600 ( -0.381 0.052 1.258) 1.315 12.659 ( 0.918 -1.889 0.573) 2.177 12.753 ( -0.078 0.727 -0.559) 0.920 12.771 ( 0.593 0.167 -0.626) 0.878 13.057 ( -2.931 3.735 0.045) 4.748 13.131 ( -1.219 0.648 0.180) 1.392 13.209 ( 2.765 4.489 -0.802) 5.332 13.281 ( 2.540 2.380 -0.287) 3.493 13.762 ( 0.280 1.419 0.804) 1.655 13.800 ( 0.515 0.199 -0.312) 0.634 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 5.847 4.693 2.880) 8.031 0.798 ( -1.830 2.359 -2.545) 3.923 0.868 ( 2.292 3.855 3.093) 5.449 1.007 ( 0.976 1.661 1.492) 2.437 1.052 ( 4.083 -2.794 -3.248) 5.919 1.110 ( -2.428 -3.178 -1.912) 4.433 1.125 ( -1.022 -0.183 -1.118) 1.526 1.309 ( -4.498 -3.735 -0.641) 5.881 1.400 ( 1.712 0.413 2.204) 2.821 1.519 ( -3.146 0.718 3.183) 4.533 1.582 ( -0.495 -2.336 -2.331) 3.337 1.601 ( -1.864 0.571 0.481) 2.008 1.850 ( 2.039 2.033 -3.331) 4.403 1.899 ( -1.510 1.244 1.091) 2.240 1.980 ( 2.970 1.700 4.666) 5.787 2.125 ( 3.335 -1.125 0.529) 3.559 2.136 ( 1.718 2.583 0.071) 3.103 2.206 ( 0.001 4.634 3.258) 5.665 2.282 ( -4.425 1.002 -0.540) 4.569 2.358 ( 1.931 -0.169 -2.200) 2.933 2.368 ( 0.833 -1.508 0.967) 1.975 2.412 ( 1.124 -0.545 1.885) 2.262 2.520 ( -5.679 -2.949 0.457) 6.415 2.597 ( 0.694 -1.311 -3.207) 3.533 2.644 ( 3.268 -1.849 -2.074) 4.290 2.698 ( 0.820 -0.888 -1.527) 1.948 2.888 ( -0.922 1.958 1.376) 2.565 2.987 ( -0.701 0.712 -0.240) 1.028 3.174 ( -0.219 0.404 -0.130) 0.478 3.231 ( 2.149 0.434 -0.971) 2.398 3.303 ( -2.007 -0.092 -0.940) 2.218 3.405 ( 0.982 -1.451 0.256) 1.771 3.488 ( 1.331 -1.662 0.205) 2.139 3.536 ( 1.455 -2.447 0.185) 2.853 3.603 ( -2.457 2.243 -0.457) 3.359 3.731 ( -0.635 -1.779 1.668) 2.520 3.845 ( 0.661 0.836 0.324) 1.113 3.906 ( 2.206 -0.047 -2.151) 3.082 4.030 ( -1.067 -1.010 1.434) 2.053 4.074 ( -0.138 -0.735 -0.740) 1.052 4.262 ( 1.425 -0.463 -0.132) 1.504 4.321 ( 2.369 -0.900 0.246) 2.546 4.369 ( -1.534 1.155 0.120) 1.924 4.409 ( -1.301 0.281 -0.020) 1.331 4.904 ( -0.916 0.516 -0.318) 1.098 4.998 ( 1.429 -2.124 0.553) 2.619 6.236 ( -0.852 0.036 0.033) 0.853 6.266 ( -0.065 -0.497 0.175) 0.531 8.311 ( -0.905 -0.679 -0.581) 1.272 8.356 ( 0.235 -1.984 -0.099) 2.001 12.613 ( 0.424 0.291 1.046) 1.166 12.682 ( 0.902 -1.870 0.617) 2.166 12.748 ( 0.153 0.967 -0.396) 1.056 12.773 ( 0.168 -0.473 -0.420) 0.654 13.019 ( -1.972 3.993 0.382) 4.470 13.114 ( -1.218 0.235 0.493) 1.335 13.248 ( 3.095 5.027 -0.843) 5.963 13.320 ( 2.432 2.969 -0.303) 3.850 13.777 ( 0.591 1.016 0.572) 1.307 13.806 ( 0.668 0.125 -0.480) 0.833 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.650 2.268 -5.072) 5.796 0.885 ( 5.852 2.818 2.567) 6.984 0.948 ( 1.895 1.354 2.641) 3.521 1.022 ( 0.701 -0.474 -0.880) 1.221 1.053 ( -2.384 -1.964 1.448) 3.412 1.092 ( 2.777 -2.170 -0.762) 3.605 1.138 ( 0.117 -0.869 2.551) 2.698 1.221 ( -3.702 -4.420 -2.800) 6.410 1.394 ( -1.717 1.770 -1.438) 2.855 1.478 ( -2.919 2.037 0.616) 3.613 1.540 ( 0.029 -2.305 -2.342) 3.286 1.597 ( -1.989 -1.025 0.437) 2.279 1.867 ( 4.253 3.471 -2.243) 5.930 1.899 ( -0.892 1.591 1.746) 2.525 2.045 ( 0.078 2.749 1.808) 3.291 2.127 ( 0.213 2.582 0.167) 2.597 2.205 ( 3.781 -0.719 -0.692) 3.911 2.220 ( -2.398 0.265 1.644) 2.920 2.243 ( -1.724 2.307 1.829) 3.412 2.351 ( 1.522 -0.271 -3.195) 3.550 2.398 ( 3.084 -2.478 0.436) 3.980 2.434 ( -5.132 -1.878 1.435) 5.650 2.487 ( 0.476 0.268 5.550) 5.577 2.564 ( -0.657 -0.866 -2.823) 3.025 2.675 ( 2.896 -0.050 -1.031) 3.074 2.691 ( 0.846 -1.007 -1.695) 2.145 2.908 ( 0.931 3.116 1.352) 3.523 2.984 ( -0.531 1.489 1.212) 1.992 3.179 ( 0.931 -0.176 0.143) 0.958 3.253 ( -1.133 0.110 0.171) 1.152 3.264 ( 1.391 -1.152 -2.224) 2.865 3.410 ( 0.026 -2.171 -0.465) 2.220 3.497 ( 0.021 2.968 -0.901) 3.101 3.544 ( 0.399 -3.146 -0.705) 3.248 3.593 ( 0.450 -0.135 1.116) 1.211 3.718 ( -0.649 -2.914 -1.452) 3.320 3.847 ( -1.263 1.964 0.132) 2.339 3.919 ( 2.340 1.434 -0.467) 2.783 4.031 ( -0.875 -3.148 -0.339) 3.285 4.055 ( -0.433 -1.062 0.027) 1.147 4.285 ( 1.088 0.031 0.161) 1.101 4.346 ( 0.045 0.976 0.434) 1.069 4.359 ( 0.698 -0.624 -0.136) 0.946 4.397 ( -1.420 -0.286 1.441) 2.043 4.895 ( -0.367 1.063 0.338) 1.174 5.022 ( 0.936 -2.251 0.067) 2.439 6.223 ( -0.743 0.161 0.031) 0.761 6.264 ( -0.151 -0.742 -0.155) 0.773 8.293 ( -0.611 -0.450 -0.237) 0.795 8.357 ( 0.079 -2.356 -0.104) 2.360 12.634 ( 0.660 0.256 0.981) 1.209 12.698 ( 0.342 -1.323 0.390) 1.421 12.749 ( 0.252 0.953 -0.155) 0.998 12.765 ( -0.512 -0.963 -0.356) 1.147 13.006 ( -0.702 4.148 1.174) 4.368 13.105 ( -1.027 0.222 1.245) 1.629 13.283 ( 2.757 5.348 -1.492) 6.199 13.346 ( 1.456 3.640 -0.783) 3.998 13.792 ( 0.674 0.518 0.160) 0.865 13.810 ( 0.640 -0.109 -0.675) 0.937 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 2.785 1.320 0.219) 3.090 0.943 ( 0.427 0.332 -1.703) 1.787 0.965 ( -1.760 1.634 0.644) 2.487 1.040 ( 0.568 -1.022 1.001) 1.539 1.052 ( -1.570 -3.610 3.071) 4.993 1.119 ( 0.743 -1.057 0.662) 1.452 1.143 ( -0.792 -0.654 -1.566) 1.873 1.189 ( 2.448 -3.979 1.580) 4.932 1.358 ( -0.397 2.881 -2.142) 3.612 1.471 ( 1.291 2.437 0.645) 2.832 1.514 ( 0.664 -1.557 -3.421) 3.817 1.551 ( -3.822 0.309 0.819) 3.920 1.884 ( -1.340 1.629 -0.473) 2.162 1.931 ( 3.768 3.303 0.550) 5.041 2.038 ( -1.425 2.853 0.191) 3.195 2.152 ( 1.644 2.063 1.236) 2.913 2.199 ( -2.063 1.797 0.865) 2.869 2.211 ( -3.520 0.239 1.310) 3.763 2.247 ( 2.787 -1.611 -1.754) 3.666 2.329 ( -1.115 -2.733 -2.174) 3.666 2.382 ( -1.906 -1.284 -0.195) 2.307 2.476 ( 4.932 -1.483 0.320) 5.159 2.507 ( -2.338 0.843 0.576) 2.551 2.548 ( -1.319 0.169 3.767) 3.995 2.684 ( 0.785 0.107 -1.673) 1.851 2.719 ( 2.374 0.072 0.588) 2.447 2.927 ( -0.315 4.086 0.611) 4.144 2.991 ( -0.750 1.723 1.722) 2.549 3.204 ( 1.321 -1.410 0.750) 2.073 3.223 ( -1.435 -0.396 -0.017) 1.489 3.279 ( 2.360 -0.210 -1.855) 3.009 3.400 ( -0.110 -1.698 -1.292) 2.136 3.486 ( 0.008 4.871 -0.444) 4.892 3.548 ( 1.012 -4.105 -0.662) 4.280 3.606 ( -0.840 -1.016 0.869) 1.579 3.688 ( 0.323 -2.750 -3.274) 4.288 3.822 ( -0.665 1.977 -0.725) 2.208 3.962 ( 1.277 1.363 2.261) 2.932 3.993 ( -0.707 -3.521 -2.894) 4.612 4.068 ( 0.121 -0.776 1.653) 1.830 4.297 ( 0.184 -0.147 0.172) 0.291 4.350 ( -0.036 0.982 0.440) 1.077 4.371 ( 0.364 -0.920 0.631) 1.174 4.394 ( -1.023 -1.111 1.513) 2.137 4.897 ( -0.184 1.034 0.822) 1.334 5.026 ( 0.096 -2.309 -0.920) 2.487 6.215 ( -0.284 0.277 0.148) 0.423 6.258 ( -0.079 -0.672 -0.498) 0.840 8.289 ( 0.029 -0.385 0.481) 0.617 8.356 ( 0.023 -2.347 -0.241) 2.360 12.651 ( -0.080 0.070 0.925) 0.931 12.702 ( -0.153 -0.713 0.185) 0.752 12.750 ( 0.154 0.214 -0.261) 0.371 12.756 ( -0.127 -0.523 -0.100) 0.547 13.018 ( -0.373 4.089 2.195) 4.656 13.110 ( -0.733 0.509 2.213) 2.386 13.300 ( 1.899 5.307 -2.469) 6.154 13.346 ( 0.226 4.052 -1.601) 4.363 13.798 ( 0.118 0.297 -0.364) 0.484 13.812 ( 0.573 -0.347 -0.704) 0.972 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.224 -0.337 3.978) 5.812 0.886 ( -4.910 2.056 -2.244) 5.776 0.932 ( -1.549 1.884 -0.116) 2.442 1.026 ( -2.530 -0.620 1.408) 2.961 1.054 ( 1.537 -1.201 -1.012) 2.198 1.117 ( -0.777 -0.518 0.067) 0.936 1.203 ( 2.909 -2.933 2.693) 4.932 1.239 ( 1.993 -2.703 2.508) 4.192 1.327 ( 0.120 1.966 -3.277) 3.823 1.466 ( -0.696 -0.075 -1.644) 1.787 1.508 ( -0.554 1.715 -0.531) 1.879 1.539 ( 3.017 1.363 -0.632) 3.370 1.849 ( -2.213 1.474 0.431) 2.693 1.979 ( 0.026 0.522 0.236) 0.574 2.036 ( 0.894 2.233 1.077) 2.635 2.110 ( -4.933 2.760 -3.866) 6.848 2.162 ( -2.709 2.815 0.397) 3.927 2.230 ( 1.670 1.609 2.568) 3.460 2.247 ( -1.303 -2.089 -1.770) 3.033 2.308 ( 3.628 -4.378 -0.907) 5.758 2.365 ( -0.095 -0.392 -0.627) 0.745 2.484 ( -2.910 1.149 3.414) 4.630 2.544 ( 3.863 -1.381 -1.638) 4.417 2.558 ( -3.058 0.419 3.960) 5.020 2.680 ( 1.032 -0.255 -1.506) 1.843 2.761 ( 1.552 0.874 1.109) 2.098 2.914 ( -1.913 2.168 0.982) 3.054 2.995 ( -0.515 0.996 0.921) 1.451 3.198 ( -1.731 1.478 0.400) 2.311 3.240 ( 1.457 -0.395 1.161) 1.904 3.301 ( 2.428 0.710 -1.366) 2.875 3.377 ( -0.538 -2.210 -1.730) 2.857 3.494 ( 1.404 3.434 -0.132) 3.713 3.549 ( -1.170 -3.113 -0.219) 3.333 3.586 ( -1.259 -1.432 -0.555) 1.986 3.659 ( 1.128 -2.114 -3.867) 4.549 3.826 ( 1.063 0.933 0.900) 1.676 3.950 ( -0.346 -2.788 -3.451) 4.450 4.006 ( 0.432 0.911 2.892) 3.063 4.082 ( -0.068 -0.026 0.255) 0.265 4.296 ( -0.584 -0.440 0.507) 0.890 4.351 ( -0.132 0.188 -0.208) 0.310 4.383 ( -0.952 -0.676 1.624) 2.000 4.402 ( 0.599 -1.752 1.372) 2.305 4.908 ( 0.004 0.418 1.445) 1.504 5.007 ( -0.486 -2.347 -1.677) 2.925 6.218 ( 0.260 0.336 0.313) 0.528 6.251 ( 0.100 -0.301 -0.736) 0.801 8.303 ( 0.530 -0.533 1.007) 1.257 8.352 ( 0.006 -1.888 -0.595) 1.980 12.649 ( -1.299 -0.124 0.974) 1.629 12.698 ( -0.550 -1.089 -0.024) 1.220 12.752 ( 0.234 0.553 -0.147) 0.618 12.758 ( 0.683 -0.546 -0.115) 0.882 13.038 ( -0.715 4.250 3.064) 5.288 13.130 ( -0.540 0.826 3.091) 3.244 13.289 ( 0.798 4.924 -3.289) 5.975 13.320 ( -0.577 4.022 -2.423) 4.731 13.789 ( -0.543 0.421 -0.573) 0.895 13.811 ( 0.313 -0.411 -0.678) 0.852 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -6.719 3.590 -3.390) 8.338 0.825 ( -2.343 1.720 2.197) 3.643 0.925 ( -0.489 -0.125 0.728) 0.886 1.022 ( -0.424 0.852 1.712) 1.958 1.078 ( 2.372 -1.799 -0.268) 2.989 1.102 ( -1.017 0.964 0.452) 1.472 1.214 ( 0.211 2.736 -2.353) 3.615 1.294 ( 0.615 0.610 -0.317) 0.923 1.336 ( 3.269 -3.957 1.308) 5.296 1.428 ( -4.385 4.028 1.108) 6.057 1.537 ( 5.179 -0.756 0.050) 5.234 1.552 ( 0.881 0.088 -3.001) 3.129 1.819 ( -4.303 3.768 -0.347) 5.730 1.900 ( -6.015 0.335 -3.020) 6.739 1.998 ( 1.167 2.056 -2.031) 3.117 2.099 ( -0.470 -2.259 2.215) 3.198 2.138 ( -1.016 0.844 0.839) 1.565 2.222 ( 0.210 1.861 0.733) 2.011 2.261 ( -0.459 0.869 2.049) 2.272 2.354 ( 0.666 -0.686 -1.297) 1.611 2.386 ( 4.062 -4.094 0.126) 5.768 2.495 ( -0.650 -0.204 3.801) 3.862 2.539 ( -3.596 0.723 2.863) 4.653 2.563 ( 2.089 -0.317 -2.760) 3.476 2.682 ( 0.683 -0.847 -1.130) 1.569 2.778 ( -0.060 0.952 -0.720) 1.195 2.914 ( -0.873 0.407 3.800) 3.920 3.003 ( 0.570 0.028 0.642) 0.859 3.173 ( -1.262 1.849 -0.598) 2.317 3.270 ( 0.510 1.027 0.769) 1.381 3.312 ( 0.170 0.336 -0.349) 0.514 3.362 ( 1.299 -0.850 -1.754) 2.343 3.508 ( -2.146 -1.829 -0.783) 2.926 3.523 ( 1.854 0.097 0.179) 1.865 3.554 ( -0.977 0.002 -1.875) 2.115 3.647 ( 1.052 -1.705 -1.703) 2.630 3.866 ( 1.393 -1.559 1.907) 2.830 3.901 ( -0.857 -1.939 -3.681) 4.247 4.039 ( -0.094 1.238 2.402) 2.703 4.066 ( -0.819 0.639 -1.516) 1.837 4.291 ( -1.151 -0.040 0.665) 1.330 4.339 ( -0.876 -1.221 -0.197) 1.515 4.381 ( -0.733 -0.235 0.812) 1.119 4.439 ( 1.404 -1.596 1.905) 2.854 4.926 ( 0.011 -0.285 1.422) 1.450 4.984 ( -0.042 -2.001 -1.041) 2.256 6.228 ( 0.506 0.186 0.366) 0.652 6.246 ( 0.309 0.080 -0.730) 0.797 8.323 ( 0.391 -0.827 0.745) 1.180 8.345 ( 0.245 -1.229 -0.818) 1.496 12.637 ( -1.751 -0.560 1.418) 2.322 12.682 ( -1.090 -1.541 -0.284) 1.909 12.755 ( 0.326 0.594 -0.111) 0.687 12.770 ( 0.780 -0.154 -0.178) 0.815 13.062 ( -0.798 4.508 3.466) 5.743 13.157 ( -0.666 1.058 3.357) 3.582 13.256 ( -0.069 4.429 -3.401) 5.585 13.279 ( -0.690 3.616 -2.998) 4.747 13.771 ( -0.837 0.781 -0.371) 1.204 13.807 ( 0.038 -0.396 -0.595) 0.716 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -6.081 5.839 -3.728) 9.218 0.774 ( -5.556 6.636 1.092) 8.723 0.898 ( -2.581 -0.814 0.668) 2.787 1.046 ( 1.572 0.544 0.296) 1.690 1.083 ( -2.884 5.472 1.187) 6.298 1.124 ( 1.592 -3.396 1.998) 4.250 1.187 ( 0.533 5.273 -2.225) 5.748 1.296 ( -1.416 4.671 -2.756) 5.606 1.372 ( 1.143 -1.410 -1.036) 2.090 1.389 ( -0.924 0.858 4.019) 4.212 1.510 ( -1.381 -2.255 -3.375) 4.287 1.639 ( 5.581 -3.641 -0.124) 6.665 1.680 ( -7.164 6.532 0.032) 9.694 1.851 ( -0.853 2.758 -0.347) 2.907 1.998 ( 0.824 -1.494 -1.522) 2.286 2.109 ( -0.557 -2.356 1.615) 2.910 2.151 ( -0.422 -1.176 3.708) 3.913 2.219 ( -2.014 -2.081 0.333) 2.915 2.288 ( 0.573 2.953 1.002) 3.171 2.359 ( 1.986 -2.187 -0.794) 3.059 2.436 ( 2.379 -3.042 0.141) 3.864 2.501 ( -2.577 2.188 1.769) 3.816 2.534 ( 0.667 -0.793 -0.587) 1.191 2.580 ( 2.505 -1.218 -0.085) 2.787 2.668 ( -0.416 -1.277 -1.177) 1.786 2.759 ( -0.755 0.296 -1.225) 1.469 2.955 ( 0.126 0.356 3.980) 3.998 3.018 ( 0.315 0.616 0.031) 0.692 3.143 ( -0.567 1.110 -1.873) 2.250 3.283 ( 0.647 -0.488 0.724) 1.087 3.303 ( -0.612 -0.827 -0.834) 1.325 3.364 ( 0.622 0.752 -1.412) 1.717 3.461 ( -1.603 0.652 -1.803) 2.499 3.538 ( 1.002 -0.743 0.431) 1.320 3.575 ( 3.219 -0.602 0.959) 3.412 3.641 ( -0.328 -1.160 -0.503) 1.306 3.838 ( -2.413 -1.422 -3.090) 4.170 3.890 ( -1.586 -3.991 1.655) 4.602 4.038 ( 0.348 1.634 -1.834) 2.481 4.058 ( -0.101 0.892 1.739) 1.957 4.268 ( -1.823 -0.042 -0.154) 1.830 4.321 ( -1.686 -1.592 0.495) 2.372 4.380 ( 0.014 1.259 0.171) 1.271 4.480 ( 1.316 -1.611 1.209) 2.406 4.930 ( -0.125 -0.348 -0.229) 0.434 4.992 ( 0.752 -1.613 0.807) 1.955 6.239 ( 0.375 -0.067 0.153) 0.411 6.246 ( 0.398 0.126 -0.308) 0.519 8.320 ( -0.226 -0.443 -0.786) 0.930 8.353 ( 0.813 -1.365 0.170) 1.598 12.625 ( -2.037 -1.192 1.862) 3.006 12.660 ( -1.104 -1.681 -0.268) 2.029 12.760 ( 0.356 0.582 -0.094) 0.689 12.777 ( 0.432 0.098 -0.300) 0.535 13.090 ( -0.333 4.578 3.038) 5.504 13.176 ( -1.120 1.494 1.947) 2.698 13.219 ( -0.199 3.877 -2.696) 4.727 13.239 ( -0.248 3.045 -2.255) 3.798 13.756 ( -0.741 1.127 0.014) 1.349 13.801 ( -0.049 -0.318 -0.439) 0.544 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -2.555 10.139 0.778) 10.485 0.691 ( -5.069 9.876 0.300) 11.104 0.881 ( -2.101 -0.028 2.459) 3.235 1.045 ( -2.489 7.454 2.918) 8.383 1.070 ( -0.828 3.131 -0.715) 3.317 1.148 ( 0.547 -2.687 -0.384) 2.769 1.188 ( 1.033 3.128 -0.785) 3.387 1.240 ( -0.410 3.977 -0.207) 4.003 1.392 ( 2.041 -0.350 -1.754) 2.714 1.422 ( 0.407 -1.436 4.062) 4.328 1.474 ( -1.344 -0.855 1.589) 2.250 1.605 ( -2.658 3.010 1.881) 4.434 1.718 ( 2.465 -2.884 0.423) 3.818 1.845 ( 0.294 3.524 -0.033) 3.537 2.000 ( 0.505 -3.662 0.371) 3.715 2.098 ( -1.647 -1.454 -1.553) 2.690 2.162 ( -2.211 -2.072 1.226) 3.269 2.209 ( -0.067 -4.473 1.707) 4.788 2.282 ( 0.206 2.019 -2.407) 3.148 2.382 ( 0.461 -1.803 0.153) 1.867 2.478 ( 0.916 1.772 1.216) 2.336 2.485 ( -1.665 2.352 1.297) 3.161 2.529 ( 3.266 -2.866 -3.827) 5.790 2.620 ( 1.311 -1.928 0.918) 2.506 2.664 ( 0.848 -1.748 -0.066) 1.944 2.711 ( -2.359 -1.055 -3.388) 4.261 2.977 ( -0.886 2.065 -1.094) 2.500 3.025 ( 0.175 0.210 2.607) 2.621 3.129 ( 0.944 1.221 -1.071) 1.879 3.274 ( -0.478 -2.309 -1.444) 2.765 3.313 ( 0.978 -1.111 -0.080) 1.483 3.343 ( -0.931 -0.942 0.081) 1.327 3.438 ( 0.600 2.547 -1.071) 2.827 3.577 ( 2.289 0.314 0.945) 2.496 3.601 ( -0.402 0.805 -1.533) 1.778 3.676 ( 3.384 -2.100 3.242) 5.136 3.762 ( -3.385 -1.184 -0.996) 3.722 3.849 ( -4.690 -3.583 1.122) 6.008 4.039 ( 0.925 1.498 -0.179) 1.770 4.082 ( 1.159 -0.551 0.431) 1.354 4.234 ( -1.863 -0.324 -0.283) 1.912 4.296 ( -1.571 -0.737 -0.062) 1.737 4.384 ( 0.110 2.382 0.186) 2.392 4.501 ( 0.411 -1.544 -0.089) 1.600 4.928 ( 0.328 0.081 -0.291) 0.446 5.004 ( 0.071 -1.676 -0.413) 1.728 6.246 ( 0.291 -0.204 0.288) 0.457 6.249 ( 0.159 -0.056 -0.011) 0.168 8.312 ( 0.164 -0.104 -0.306) 0.362 8.364 ( 0.555 -1.775 -0.193) 1.869 12.612 ( -2.150 -1.269 1.757) 3.053 12.645 ( -0.622 -1.886 0.125) 1.990 12.762 ( 0.217 0.562 -0.270) 0.660 12.777 ( 0.181 0.217 -0.566) 0.633 13.118 ( 0.259 3.838 1.931) 4.304 13.156 ( -1.598 2.710 -0.963) 3.290 13.193 ( 0.008 3.277 -1.639) 3.664 13.231 ( 0.612 2.272 -0.052) 2.353 13.749 ( -0.429 1.383 0.413) 1.505 13.797 ( 0.062 -0.155 -0.292) 0.336 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 1.009 6.689 1.438) 6.916 0.778 ( 1.064 1.084 -1.960) 2.480 0.880 ( -1.781 4.232 2.217) 5.099 1.010 ( 0.102 -6.850 -0.219) 6.854 1.083 ( -1.378 3.033 -4.314) 5.450 1.125 ( -0.699 -0.531 -4.137) 4.229 1.267 ( 2.080 4.442 0.227) 4.910 1.325 ( 1.516 1.049 -3.041) 3.556 1.383 ( -1.665 -1.616 -1.002) 2.528 1.411 ( 2.067 -3.764 1.062) 4.423 1.535 ( 0.215 3.959 6.949) 8.001 1.609 ( 2.477 -3.755 3.694) 5.821 1.791 ( -2.050 6.364 3.376) 7.490 1.911 ( -1.610 -5.886 0.122) 6.104 1.943 ( 0.310 4.419 0.594) 4.469 2.020 ( -0.019 -2.718 -0.934) 2.874 2.106 ( -0.303 1.167 4.413) 4.575 2.168 ( 0.682 -3.990 5.027) 6.454 2.314 ( 1.596 3.127 -3.230) 4.771 2.368 ( 0.815 -2.104 -1.025) 2.478 2.449 ( -2.146 1.519 -4.246) 4.994 2.479 ( -3.470 -0.222 -1.832) 3.930 2.572 ( -0.008 -0.647 0.462) 0.794 2.578 ( 0.378 -1.889 -0.775) 2.077 2.615 ( -0.117 1.101 -1.972) 2.261 2.652 ( 1.679 -1.966 -1.758) 3.127 2.991 ( -2.226 2.472 0.472) 3.360 3.028 ( -1.712 -1.429 0.834) 2.381 3.170 ( 1.251 1.977 -0.701) 2.442 3.216 ( 1.072 -2.589 -1.302) 3.089 3.304 ( 0.776 1.320 0.187) 1.542 3.337 ( 1.530 -1.885 0.351) 2.453 3.480 ( -0.110 2.301 -1.569) 2.787 3.526 ( -1.548 -2.091 -2.621) 3.693 3.680 ( 2.732 2.214 2.246) 4.173 3.711 ( -1.068 -0.958 2.815) 3.160 3.742 ( 0.965 -0.372 2.225) 2.453 3.759 ( -0.457 -2.097 1.945) 2.896 4.072 ( 0.812 0.324 0.004) 0.875 4.073 ( 0.315 -0.082 -0.548) 0.638 4.227 ( -0.153 1.012 -0.196) 1.043 4.253 ( -0.552 -1.481 -0.713) 1.734 4.429 ( -0.445 2.036 -0.075) 2.086 4.463 ( -0.645 -1.573 -0.735) 1.852 4.937 ( -0.090 0.631 -0.202) 0.668 4.957 ( -0.568 -1.386 -0.814) 1.705 6.247 ( -0.022 0.111 0.282) 0.304 6.252 ( 0.207 -0.294 0.183) 0.403 8.317 ( 0.277 0.331 -0.124) 0.449 8.333 ( 0.117 -1.331 -0.404) 1.396 12.597 ( -0.564 0.367 1.047) 1.245 12.613 ( -0.050 -1.323 0.654) 1.477 12.768 ( 0.040 0.349 -0.461) 0.580 12.774 ( 0.118 -0.170 -0.595) 0.630 13.156 ( -2.663 1.641 0.302) 3.142 13.166 ( -1.862 0.533 0.445) 1.987 13.248 ( 2.142 2.583 -1.215) 3.569 13.272 ( 2.087 0.086 -0.706) 2.205 13.779 ( 0.104 1.246 0.504) 1.348 13.795 ( 0.226 -0.388 0.178) 0.484 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 2.974 4.644 1.213) 5.646 0.813 ( 3.815 -1.025 0.909) 4.054 0.883 ( -0.223 6.129 1.238) 6.257 1.016 ( 0.672 -5.053 0.365) 5.111 1.035 ( -0.300 1.088 -1.785) 2.112 1.060 ( 0.835 -1.090 -7.289) 7.417 1.244 ( -3.023 2.473 -4.110) 5.670 1.312 ( -2.646 -4.233 -2.629) 5.642 1.363 ( 2.709 4.634 2.660) 5.991 1.460 ( 2.742 -5.390 0.541) 6.071 1.592 ( -2.826 4.130 5.314) 7.300 1.656 ( -3.263 -2.410 2.021) 4.533 1.828 ( 2.177 3.284 4.259) 5.802 1.895 ( 0.599 -3.588 -0.809) 3.726 1.970 ( 0.842 3.481 2.033) 4.118 2.027 ( 1.342 -2.592 0.943) 3.067 2.165 ( 0.899 4.665 4.153) 6.311 2.238 ( 0.722 -1.330 4.394) 4.648 2.305 ( 2.214 1.492 -3.301) 4.245 2.349 ( -0.970 -2.429 -2.778) 3.816 2.387 ( -0.320 1.222 -1.750) 2.159 2.404 ( -1.354 -0.503 -2.217) 2.646 2.546 ( -3.026 -1.253 -0.311) 3.290 2.555 ( -0.424 -2.063 -0.849) 2.271 2.625 ( 2.336 1.314 -2.071) 3.387 2.661 ( 1.749 -2.126 -1.689) 3.229 2.955 ( -3.137 2.418 1.030) 4.093 2.996 ( -2.447 -1.818 0.182) 3.054 3.186 ( 1.585 1.929 -0.438) 2.535 3.223 ( 1.593 -1.455 -1.228) 2.482 3.328 ( 0.861 1.309 0.707) 1.719 3.361 ( 0.860 -1.761 -0.600) 2.050 3.465 ( -0.201 0.360 -1.111) 1.186 3.482 ( -0.061 -1.231 -1.461) 1.911 3.687 ( -2.961 1.334 1.345) 3.515 3.707 ( -1.775 -0.495 2.421) 3.043 3.803 ( 3.649 0.312 1.240) 3.866 3.829 ( 3.584 -1.966 1.725) 4.437 4.066 ( -1.020 1.087 -0.488) 1.569 4.077 ( -0.120 0.023 -0.301) 0.325 4.238 ( 1.269 -0.103 -0.246) 1.297 4.250 ( 1.799 -1.292 -0.290) 2.234 4.415 ( -1.281 1.341 0.047) 1.855 4.436 ( -1.489 -0.841 -0.811) 1.893 4.930 ( -0.579 0.424 -0.229) 0.753 4.946 ( 0.221 -1.183 -0.139) 1.211 6.248 ( -0.308 0.284 0.171) 0.453 6.256 ( -0.042 -0.470 0.147) 0.495 8.317 ( -0.162 0.016 -0.256) 0.304 8.328 ( -0.051 -1.115 -0.458) 1.206 12.606 ( 0.190 0.665 0.988) 1.206 12.626 ( 0.635 -1.485 0.706) 1.762 12.764 ( 0.090 0.398 -0.485) 0.634 12.770 ( 0.204 -0.238 -0.531) 0.616 13.115 ( -2.496 2.192 0.067) 3.323 13.137 ( -1.887 -0.259 0.090) 1.907 13.282 ( 3.097 2.857 -0.620) 4.259 13.308 ( 3.018 0.134 -0.470) 3.057 13.788 ( 0.220 1.139 0.491) 1.259 13.801 ( 0.303 -0.251 0.117) 0.411 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 4.788 4.191 1.161) 6.468 0.845 ( -0.631 2.313 -1.545) 2.852 0.921 ( 2.378 1.997 1.990) 3.688 0.995 ( 3.042 -4.255 -6.930) 8.682 1.024 ( 0.370 -0.276 -1.154) 1.243 1.042 ( -1.167 -1.843 2.597) 3.392 1.152 ( -2.985 3.174 -1.529) 4.618 1.229 ( -4.300 -4.483 -1.281) 6.342 1.433 ( 1.817 2.864 1.273) 3.623 1.495 ( 1.007 -3.202 -0.059) 3.358 1.568 ( -3.946 1.076 0.843) 4.176 1.594 ( -3.040 -1.157 -0.119) 3.255 1.887 ( 1.969 1.759 -0.341) 2.662 1.910 ( 1.087 -0.473 0.783) 1.420 2.026 ( 1.760 3.202 3.723) 5.216 2.086 ( 2.822 -2.804 2.371) 4.631 2.197 ( 0.297 3.809 -0.243) 3.828 2.258 ( -2.173 -1.337 -0.055) 2.552 2.292 ( 1.247 1.743 -1.857) 2.836 2.329 ( 0.166 -1.875 0.288) 1.904 2.382 ( 0.713 1.786 0.069) 1.924 2.418 ( 0.450 -1.006 3.190) 3.375 2.489 ( -2.416 1.593 -0.345) 2.914 2.549 ( 0.685 -3.469 -1.190) 3.731 2.634 ( 2.100 0.918 -2.076) 3.093 2.667 ( 1.449 -2.132 -1.815) 3.153 2.931 ( -1.100 2.414 1.744) 3.175 2.973 ( -1.035 -1.799 1.230) 2.413 3.206 ( 1.457 2.447 -0.997) 3.017 3.239 ( 2.089 -0.403 -1.450) 2.574 3.314 ( -2.106 1.316 -1.344) 2.824 3.355 ( -0.251 -3.083 -0.728) 3.178 3.465 ( 1.266 0.339 0.243) 1.333 3.495 ( 1.532 -2.227 0.675) 2.786 3.653 ( -1.998 2.645 -0.284) 3.327 3.696 ( -1.469 -1.948 0.389) 2.470 3.865 ( 1.983 1.289 1.449) 2.774 3.891 ( 2.542 -1.358 0.504) 2.926 4.030 ( -1.792 0.957 -1.146) 2.332 4.055 ( -1.130 -1.339 -1.763) 2.486 4.266 ( 2.092 1.019 0.476) 2.375 4.294 ( 2.539 -1.714 0.595) 3.121 4.391 ( -1.772 1.013 0.198) 2.051 4.406 ( -1.633 -0.554 0.147) 1.731 4.923 ( -0.183 1.455 0.147) 1.473 4.957 ( 0.708 -2.131 0.563) 2.315 6.241 ( -0.589 0.510 -0.022) 0.779 6.253 ( -0.286 -0.738 -0.035) 0.792 8.306 ( -0.587 0.256 -0.465) 0.791 8.322 ( -0.171 -1.434 -0.322) 1.480 12.623 ( 0.649 0.804 0.775) 1.291 12.646 ( 0.898 -1.672 0.546) 1.974 12.762 ( 0.145 0.451 -0.289) 0.555 12.767 ( -0.008 -0.214 -0.299) 0.368 13.083 ( -1.706 2.591 0.510) 3.144 13.113 ( -1.460 -0.639 0.535) 1.681 13.328 ( 3.328 3.025 -0.669) 4.547 13.353 ( 3.151 0.340 -0.518) 3.211 13.796 ( 0.333 0.869 0.187) 0.949 13.806 ( 0.351 -0.181 -0.158) 0.425 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -1.833 6.177 -3.941) 7.553 0.906 ( -0.264 -6.633 -2.298) 7.025 0.952 ( 4.586 4.106 0.969) 6.231 1.010 ( -1.061 1.402 0.989) 2.017 1.031 ( 0.307 -3.221 3.286) 4.612 1.044 ( 1.043 -1.374 0.291) 1.749 1.121 ( -1.382 0.309 0.437) 1.482 1.156 ( -3.133 -2.837 -0.790) 4.300 1.439 ( -0.261 2.898 -0.940) 3.058 1.494 ( -0.416 -2.676 -1.317) 3.011 1.524 ( -1.055 2.605 0.332) 2.830 1.569 ( -1.097 -1.991 0.017) 2.273 1.925 ( 3.088 2.269 0.416) 3.854 1.937 ( 1.297 1.511 0.179) 1.999 2.074 ( 0.346 1.440 1.264) 1.947 2.125 ( -0.687 -2.929 0.249) 3.019 2.203 ( 1.499 0.984 0.282) 1.815 2.219 ( -0.318 -0.082 -0.629) 0.710 2.293 ( -2.016 2.160 0.249) 2.965 2.328 ( -1.041 -2.109 -0.153) 2.357 2.394 ( 1.529 1.505 -1.976) 2.917 2.413 ( -0.521 -0.567 0.414) 0.874 2.513 ( 0.439 1.891 4.114) 4.549 2.544 ( -0.552 -1.324 0.214) 1.450 2.655 ( 2.358 -0.340 -0.854) 2.531 2.674 ( 1.603 -1.553 -0.849) 2.388 2.961 ( 1.486 2.331 2.152) 3.503 2.991 ( 0.556 -0.725 2.005) 2.203 3.201 ( 0.028 2.087 -1.771) 2.737 3.236 ( -0.482 -1.475 -2.503) 2.945 3.279 ( 0.099 2.372 0.029) 2.374 3.347 ( 0.362 -4.380 -0.472) 4.420 3.492 ( 1.425 0.937 0.142) 1.711 3.534 ( 1.385 -2.274 1.344) 2.983 3.616 ( -1.363 3.125 -1.516) 3.731 3.671 ( -0.673 -2.471 -1.631) 3.036 3.888 ( -0.432 2.323 0.006) 2.363 3.927 ( 1.647 -1.207 -0.042) 2.042 3.996 ( -1.338 0.084 -0.538) 1.444 4.023 ( -0.349 -2.045 -0.375) 2.108 4.300 ( 1.316 1.459 0.226) 1.978 4.331 ( 1.469 -1.575 0.033) 2.154 4.370 ( -1.273 0.943 0.723) 1.742 4.386 ( -1.580 -0.745 0.959) 1.993 4.926 ( 0.070 2.210 0.322) 2.235 4.974 ( 0.548 -2.749 0.297) 2.819 6.231 ( -0.544 0.695 -0.036) 0.883 6.247 ( -0.300 -0.965 -0.154) 1.022 8.293 ( -0.444 0.588 -0.147) 0.752 8.316 ( -0.191 -1.824 -0.113) 1.837 12.642 ( 0.710 0.712 0.612) 1.178 12.665 ( 0.749 -1.697 0.320) 1.883 12.760 ( -0.236 0.301 -0.205) 0.434 12.762 ( -0.199 0.084 -0.116) 0.245 13.073 ( -0.855 2.725 1.419) 3.189 13.104 ( -0.967 -0.639 1.473) 1.875 13.367 ( 2.713 3.072 -1.333) 4.309 13.390 ( 2.303 0.678 -1.125) 2.651 13.802 ( 0.423 0.495 -0.194) 0.679 13.808 ( 0.350 -0.144 -0.474) 0.606 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 1.348 5.792 -0.921) 6.017 0.871 ( 0.086 -7.034 -2.175) 7.363 1.001 ( -2.004 0.230 1.556) 2.547 1.010 ( -1.992 -0.269 2.753) 3.409 1.045 ( 1.837 2.547 0.657) 3.208 1.096 ( 1.649 -1.761 0.349) 2.437 1.115 ( -0.166 -1.236 -0.596) 1.383 1.126 ( 0.035 -2.304 3.863) 4.498 1.417 ( -0.397 3.035 -2.311) 3.836 1.467 ( -0.553 -2.129 -1.951) 2.940 1.531 ( 1.209 2.047 0.316) 2.398 1.553 ( -1.174 -0.325 0.769) 1.440 1.936 ( -1.253 3.476 -0.482) 3.727 1.979 ( 1.766 0.480 0.258) 1.848 2.069 ( -0.382 1.483 -0.325) 1.565 2.129 ( 1.388 -3.643 0.829) 3.986 2.220 ( -0.587 1.422 0.180) 1.549 2.236 ( 0.528 0.890 -0.085) 1.039 2.249 ( -0.771 1.393 0.275) 1.616 2.278 ( -3.592 -2.686 -1.237) 4.653 2.394 ( 2.072 2.464 -2.842) 4.295 2.441 ( 3.524 -2.121 -1.517) 4.383 2.529 ( -2.527 1.141 2.104) 3.481 2.551 ( -2.309 -0.674 4.280) 4.910 2.681 ( 1.555 0.762 0.087) 1.734 2.709 ( 1.862 -1.446 1.480) 2.783 2.989 ( -0.616 2.252 0.033) 2.335 3.010 ( -0.755 0.062 0.762) 1.075 3.198 ( 1.531 0.650 0.098) 1.666 3.215 ( 0.791 -0.808 0.016) 1.131 3.292 ( 0.720 2.044 0.122) 2.171 3.350 ( 0.138 -3.555 -0.309) 3.571 3.510 ( 0.746 0.778 -0.225) 1.101 3.555 ( 0.043 -2.723 -0.119) 2.726 3.580 ( -0.465 3.727 -1.984) 4.248 3.645 ( 0.395 -2.614 -2.473) 3.620 3.866 ( -0.599 2.657 -1.410) 3.067 3.923 ( -0.440 -3.393 -2.043) 3.985 3.998 ( 0.630 2.005 1.908) 2.839 4.039 ( 0.470 -2.164 2.114) 3.061 4.310 ( 0.181 1.530 -0.407) 1.593 4.344 ( 0.456 -1.703 -0.375) 1.802 4.366 ( -0.449 0.477 0.918) 1.128 4.376 ( -1.228 -0.673 1.191) 1.839 4.927 ( -0.152 2.207 0.084) 2.213 4.976 ( -0.103 -2.813 -0.546) 2.867 6.225 ( -0.174 0.775 0.103) 0.801 6.242 ( -0.065 -0.963 -0.169) 0.980 8.291 ( 0.007 0.657 0.408) 0.773 8.315 ( 0.020 -1.854 0.150) 1.860 12.655 ( 0.056 0.542 0.513) 0.749 12.675 ( 0.151 -1.515 0.145) 1.530 12.752 ( -0.163 0.451 -0.120) 0.494 12.759 ( -0.071 -0.081 -0.159) 0.192 13.085 ( -0.568 2.711 2.532) 3.753 13.114 ( -0.706 -0.454 2.621) 2.752 13.381 ( 1.512 2.869 -2.387) 4.027 13.398 ( 0.939 1.069 -2.143) 2.572 13.804 ( 0.211 0.266 -0.542) 0.640 13.807 ( 0.347 -0.145 -0.612) 0.718 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 3.167 2.568 0.962) 4.189 0.854 ( 0.106 -3.956 -2.398) 4.628 0.968 ( -2.701 1.378 0.393) 3.058 0.996 ( -2.261 -1.949 1.492) 3.337 1.075 ( 2.171 2.688 -0.829) 3.553 1.116 ( 1.383 -0.508 -0.530) 1.566 1.154 ( 1.290 -0.757 5.172) 5.384 1.187 ( 1.209 -2.708 4.579) 5.455 1.379 ( -0.444 3.081 -2.997) 4.321 1.435 ( 0.409 -2.593 -2.730) 3.787 1.550 ( -0.759 1.777 1.116) 2.232 1.562 ( 1.465 0.563 0.363) 1.611 1.900 ( -1.388 3.634 -0.873) 3.987 1.965 ( -1.505 -2.520 -1.702) 3.393 2.082 ( -0.214 3.336 1.153) 3.536 2.133 ( -3.679 -1.000 -0.537) 3.850 2.189 ( -1.677 0.090 -0.808) 1.864 2.213 ( 1.386 -2.818 -0.546) 3.188 2.258 ( 0.232 1.447 -0.690) 1.620 2.271 ( 1.404 1.120 0.941) 2.028 2.395 ( 1.947 3.683 -2.432) 4.824 2.481 ( 3.831 -4.401 -2.214) 6.240 2.507 ( -3.431 1.467 3.311) 4.988 2.546 ( -3.707 -2.042 4.149) 5.926 2.705 ( 0.564 2.608 0.825) 2.793 2.752 ( 0.666 -1.821 2.251) 2.971 2.953 ( -2.420 1.952 -0.639) 3.174 2.986 ( -1.728 -1.451 -0.314) 2.279 3.236 ( 1.444 1.936 0.126) 2.419 3.256 ( 2.222 0.839 1.797) 2.979 3.306 ( 1.439 0.468 0.290) 1.541 3.334 ( -1.657 -1.980 -0.617) 2.655 3.508 ( -0.729 -0.521 -0.329) 0.954 3.530 ( -1.330 -2.165 -0.957) 2.715 3.573 ( 1.598 2.991 -1.501) 3.708 3.626 ( 0.886 -2.122 -2.980) 3.764 3.851 ( 0.306 1.780 -0.838) 1.991 3.894 ( -0.118 -2.780 -2.176) 3.533 4.034 ( 0.640 1.915 2.430) 3.160 4.069 ( 0.385 -1.457 1.610) 2.205 4.300 ( -0.692 1.179 -0.395) 1.423 4.334 ( -0.763 -1.903 -0.885) 2.233 4.376 ( -0.328 -0.084 1.142) 1.191 4.379 ( 0.660 -0.497 1.192) 1.450 4.925 ( -0.220 1.459 0.209) 1.490 4.962 ( -0.471 -2.332 -0.978) 2.572 6.227 ( 0.226 0.691 0.191) 0.752 6.241 ( 0.207 -0.707 -0.219) 0.768 8.301 ( 0.372 0.406 0.695) 0.887 8.319 ( 0.211 -1.467 0.131) 1.488 12.653 ( -1.044 0.545 0.463) 1.265 12.671 ( -0.762 -1.378 0.040) 1.575 12.755 ( 0.567 0.158 -0.012) 0.588 12.758 ( 0.277 -0.023 -0.210) 0.349 13.108 ( -0.779 2.792 3.486) 4.534 13.137 ( -0.759 -0.383 3.593) 3.693 13.363 ( 0.285 2.494 -3.304) 4.149 13.374 ( -0.199 1.312 -3.069) 3.344 13.798 ( -0.118 0.473 -0.654) 0.816 13.805 ( 0.187 -0.327 -0.659) 0.759 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -2.438 1.542 -3.762) 4.740 0.825 ( 0.874 -1.127 -0.251) 1.448 0.937 ( -2.132 1.565 0.724) 2.742 0.985 ( -0.764 -3.286 1.371) 3.642 1.101 ( 1.615 2.959 -0.157) 3.375 1.134 ( 0.763 0.485 0.644) 1.110 1.232 ( 2.973 0.490 2.803) 4.115 1.268 ( 2.597 -2.797 3.112) 4.925 1.343 ( -0.141 4.290 -2.385) 4.911 1.431 ( 1.628 -4.172 -1.564) 4.744 1.544 ( -1.241 2.367 0.133) 2.676 1.567 ( -0.223 0.163 -0.657) 0.712 1.893 ( -0.739 3.328 1.019) 3.558 1.918 ( -2.143 0.697 -0.323) 2.277 2.037 ( -2.647 1.110 -2.891) 4.073 2.057 ( -4.262 -1.603 0.988) 4.660 2.160 ( -2.248 3.066 -1.020) 3.936 2.242 ( -0.955 -1.718 -0.249) 1.982 2.264 ( 0.548 -0.427 -0.320) 0.765 2.282 ( 3.387 -3.720 -0.245) 5.037 2.412 ( 2.373 5.127 -1.224) 5.781 2.497 ( -0.392 -0.656 1.520) 1.701 2.517 ( 1.438 -2.644 0.080) 3.011 2.534 ( -3.281 -1.578 4.061) 5.454 2.712 ( -0.733 3.303 0.433) 3.411 2.769 ( -0.917 -2.081 0.678) 2.373 2.928 ( -0.847 1.605 2.001) 2.701 2.972 ( -0.075 -2.569 1.109) 2.800 3.224 ( -1.206 3.136 -1.593) 3.719 3.285 ( -1.649 -2.877 -1.694) 3.724 3.310 ( 1.186 2.556 1.030) 3.000 3.347 ( 2.017 -1.003 0.584) 2.327 3.488 ( -0.806 0.317 0.103) 0.872 3.511 ( -0.408 -1.367 -0.018) 1.427 3.576 ( 0.888 1.720 -2.314) 3.016 3.612 ( 1.343 -1.985 -2.332) 3.344 3.849 ( -0.170 0.009 -0.250) 0.302 3.866 ( -0.729 -1.617 -1.906) 2.603 4.065 ( 0.172 1.408 1.540) 2.093 4.079 ( -0.142 0.163 -0.180) 0.281 4.286 ( -1.089 0.139 0.369) 1.158 4.306 ( -1.380 -1.814 -0.576) 2.351 4.390 ( 0.645 0.881 0.840) 1.378 4.411 ( 1.384 -1.332 1.324) 2.333 4.928 ( 0.001 0.559 0.537) 0.776 4.949 ( 0.012 -1.595 -0.260) 1.616 6.234 ( 0.359 0.451 0.111) 0.587 6.243 ( 0.337 -0.381 -0.307) 0.595 8.314 ( 0.356 -0.011 0.407) 0.541 8.323 ( 0.319 -0.903 -0.149) 0.969 12.636 ( -1.603 0.459 0.568) 1.762 12.654 ( -1.351 -1.338 0.000) 1.902 12.762 ( 0.479 0.255 -0.143) 0.561 12.766 ( 0.673 -0.211 0.007) 0.705 13.135 ( -0.964 2.909 3.916) 4.973 13.166 ( -0.976 -0.409 3.971) 4.109 13.322 ( -0.433 2.133 -3.608) 4.213 13.329 ( -0.670 1.340 -3.520) 3.825 13.787 ( -0.302 0.799 -0.526) 1.003 13.799 ( 0.001 -0.480 -0.595) 0.764 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -1.814 6.063 -2.764) 6.906 0.816 ( -0.610 -2.983 -0.818) 3.153 0.913 ( -2.694 3.621 1.776) 4.850 0.997 ( 0.380 -4.830 0.867) 4.922 1.126 ( 1.161 2.686 0.894) 3.060 1.152 ( 0.228 1.132 1.020) 1.541 1.283 ( 0.819 3.862 -3.453) 5.245 1.310 ( 4.022 -1.049 -1.276) 4.347 1.353 ( 1.114 0.887 1.649) 2.179 1.419 ( -0.993 -3.694 -1.962) 4.299 1.499 ( -3.179 3.905 -0.270) 5.043 1.571 ( 1.074 -3.387 -0.814) 3.645 1.832 ( -5.751 8.953 2.212) 10.868 1.934 ( 0.910 4.072 0.779) 4.245 1.973 ( -2.658 -1.839 -1.264) 3.470 2.044 ( 0.034 -5.573 2.939) 6.301 2.106 ( -3.031 0.055 -0.124) 3.034 2.163 ( -4.126 -4.027 -2.091) 6.133 2.307 ( 1.832 0.148 0.005) 1.838 2.324 ( 2.552 -1.611 -0.753) 3.111 2.449 ( 3.321 3.642 0.312) 4.939 2.511 ( 1.395 -1.366 -0.748) 2.090 2.530 ( -1.968 -0.160 3.207) 3.766 2.546 ( 0.857 -1.689 1.539) 2.440 2.684 ( -1.988 2.796 -1.116) 3.608 2.740 ( -2.020 -2.373 -1.252) 3.358 2.967 ( 0.873 1.430 3.828) 4.178 3.003 ( 0.798 -1.876 2.168) 2.976 3.182 ( -0.929 2.864 -2.133) 3.690 3.242 ( -0.965 -3.134 -1.661) 3.675 3.321 ( -0.154 1.854 -0.494) 1.925 3.356 ( -0.493 -1.475 -1.530) 2.181 3.495 ( 0.804 2.444 0.491) 2.619 3.530 ( 1.605 -0.981 2.101) 2.820 3.567 ( 2.117 0.890 -2.068) 3.090 3.607 ( 0.322 -2.535 -1.477) 2.952 3.820 ( -2.539 -0.236 -1.156) 2.800 3.835 ( -2.164 -1.792 0.334) 2.830 4.065 ( -0.031 1.267 -1.050) 1.646 4.076 ( -0.038 0.317 0.050) 0.323 4.266 ( -1.614 0.310 0.096) 1.646 4.287 ( -1.241 -1.744 0.586) 2.220 4.412 ( 1.004 1.831 0.585) 2.169 4.447 ( 1.379 -1.844 0.883) 2.466 4.933 ( 0.212 0.774 0.222) 0.833 4.958 ( 0.483 -1.743 0.733) 1.951 6.240 ( 0.249 0.222 0.009) 0.334 6.245 ( 0.303 -0.233 -0.266) 0.466 8.317 ( 0.110 0.180 -0.364) 0.420 8.329 ( 0.446 -1.020 -0.091) 1.117 12.617 ( -1.679 0.212 0.772) 1.860 12.631 ( -1.386 -1.265 0.096) 1.879 12.768 ( 0.379 0.391 -0.090) 0.552 12.775 ( 0.410 -0.282 -0.097) 0.507 13.161 ( -0.990 2.793 3.480) 4.571 13.190 ( -1.346 -0.228 3.334) 3.603 13.276 ( -0.311 1.853 -3.254) 3.758 13.282 ( -0.314 1.178 -3.121) 3.351 13.778 ( -0.269 1.060 -0.223) 1.116 13.793 ( -0.032 -0.556 -0.372) 0.670 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -0.096 8.297 -0.287) 8.303 0.797 ( -0.395 -1.447 -1.340) 2.011 0.890 ( -2.707 4.493 2.284) 5.721 1.009 ( 0.369 -6.565 -0.020) 6.575 1.141 ( -0.215 2.504 -1.579) 2.968 1.160 ( -0.452 1.855 0.061) 1.910 1.256 ( 0.271 4.440 -1.507) 4.697 1.327 ( 1.676 0.624 -3.684) 4.095 1.373 ( 1.272 -0.923 0.106) 1.575 1.389 ( 0.587 -1.915 -0.666) 2.110 1.481 ( -0.938 3.382 3.173) 4.732 1.572 ( 0.319 -5.034 -0.233) 5.050 1.793 ( -3.173 8.662 3.347) 9.814 1.930 ( -1.148 -1.452 -0.491) 1.915 1.948 ( -1.300 3.038 1.713) 3.722 2.049 ( -1.781 -4.303 -1.637) 4.936 2.092 ( -1.261 -3.078 1.782) 3.774 2.110 ( -1.001 -4.295 4.239) 6.117 2.318 ( 1.659 1.951 -2.202) 3.377 2.354 ( 1.627 -1.682 -0.204) 2.349 2.509 ( 2.534 1.291 -0.235) 2.853 2.512 ( -0.469 0.921 -1.832) 2.104 2.536 ( -0.366 1.792 1.881) 2.623 2.573 ( 0.436 -2.713 1.095) 2.958 2.647 ( -0.409 0.556 -1.291) 1.464 2.680 ( -2.090 -2.179 -3.301) 4.474 3.010 ( -0.594 1.346 1.540) 2.130 3.025 ( -0.333 -0.306 2.012) 2.062 3.162 ( 0.889 2.437 -1.289) 2.897 3.219 ( 0.326 -3.324 -1.479) 3.653 3.309 ( -0.243 0.543 -1.084) 1.237 3.325 ( -0.286 -0.940 -0.833) 1.288 3.498 ( 0.054 3.716 -1.166) 3.895 3.570 ( -0.977 -3.165 -0.263) 3.323 3.603 ( 3.586 1.071 0.265) 3.752 3.631 ( 4.173 -1.634 2.193) 4.990 3.763 ( -3.631 0.833 0.697) 3.790 3.792 ( -3.992 -2.290 1.258) 4.771 4.061 ( 0.940 0.909 -0.874) 1.573 4.075 ( 0.298 -0.538 -0.565) 0.835 4.242 ( -1.417 1.209 0.112) 1.866 4.271 ( -1.206 -1.632 0.139) 2.034 4.429 ( 0.445 2.255 0.196) 2.307 4.468 ( 0.547 -1.927 0.035) 2.004 4.938 ( 0.187 1.096 -0.046) 1.113 4.968 ( -0.018 -1.930 0.013) 1.930 6.244 ( 0.135 0.076 0.161) 0.224 6.247 ( 0.246 -0.208 -0.066) 0.329 8.315 ( 0.225 0.503 -0.344) 0.650 8.333 ( 0.328 -1.380 -0.264) 1.443 12.601 ( -1.325 0.138 0.940) 1.631 12.615 ( -0.877 -1.242 0.381) 1.568 12.771 ( 0.164 0.386 -0.244) 0.485 12.777 ( 0.170 -0.217 -0.350) 0.446 13.176 ( -1.352 2.043 2.240) 3.320 13.189 ( -2.012 0.649 1.246) 2.454 13.246 ( 0.632 1.950 -2.400) 3.156 13.259 ( 0.880 0.500 -1.529) 1.834 13.775 ( -0.081 1.205 0.193) 1.224 13.791 ( 0.084 -0.519 -0.047) 0.528 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -2.680 0.000 11.894) 12.192 0.698 ( -3.736 0.000 12.616) 13.157 0.900 ( -0.288 0.000 -6.256) 6.262 0.937 ( 1.414 0.000 -5.328) 5.513 1.030 ( 0.083 0.000 5.389) 5.389 1.125 ( 0.612 0.000 -3.437) 3.491 1.181 ( -4.139 0.000 10.022) 10.842 1.300 ( 6.225 0.000 -3.738) 7.261 1.408 ( -0.247 0.000 9.377) 9.380 1.461 ( 0.004 0.000 4.299) 4.299 1.519 ( 0.855 0.000 -2.988) 3.108 1.675 ( -0.548 0.000 -10.056) 10.071 1.854 ( 5.411 0.000 1.996) 5.768 1.875 ( -1.572 0.000 -0.700) 1.721 1.955 ( -3.054 0.000 -0.426) 3.084 1.995 ( -1.869 0.000 -3.661) 4.110 2.089 ( 3.600 0.000 -0.202) 3.606 2.153 ( -3.908 0.000 -4.907) 6.273 2.307 ( -0.578 0.000 0.722) 0.925 2.315 ( 1.013 0.000 -0.028) 1.013 2.509 ( -6.313 0.000 3.429) 7.184 2.520 ( 1.795 0.000 -0.637) 1.905 2.571 ( 0.540 0.000 -1.686) 1.770 2.606 ( 4.434 0.000 -2.728) 5.205 2.692 ( -1.929 0.000 -0.038) 1.930 2.700 ( 1.130 0.000 -1.143) 1.607 2.877 ( -0.126 0.000 3.315) 3.318 2.956 ( -0.782 0.000 -3.899) 3.976 3.175 ( 1.947 0.000 2.610) 3.256 3.237 ( -1.397 0.000 -3.006) 3.315 3.393 ( -0.166 0.000 0.101) 0.194 3.396 ( -1.355 0.000 -0.228) 1.374 3.480 ( 0.467 0.000 3.557) 3.588 3.524 ( 1.399 0.000 -0.599) 1.522 3.679 ( 1.903 0.000 1.227) 2.264 3.691 ( -2.709 0.000 0.397) 2.738 3.849 ( 1.899 0.000 1.284) 2.292 3.869 ( 0.276 0.000 -0.722) 0.773 4.096 ( -0.260 0.000 0.791) 0.833 4.121 ( -1.966 0.000 -1.641) 2.560 4.244 ( -0.575 0.000 1.232) 1.360 4.253 ( 1.575 0.000 0.037) 1.576 4.352 ( 1.248 0.000 1.577) 2.011 4.417 ( -1.599 0.000 -4.044) 4.348 4.963 ( -2.340 0.000 0.257) 2.355 4.966 ( 2.831 0.000 0.034) 2.832 6.262 ( 0.554 0.000 0.539) 0.773 6.268 ( -0.656 0.000 -0.002) 0.656 8.369 ( 1.610 0.000 0.089) 1.612 8.373 ( -1.198 0.000 -0.293) 1.234 12.671 ( -4.743 0.000 0.795) 4.809 12.690 ( 3.058 0.000 -0.978) 3.210 12.716 ( 0.305 0.000 0.747) 0.807 12.732 ( -0.505 0.000 -0.754) 0.908 13.001 ( -2.077 0.000 1.878) 2.800 13.043 ( 2.677 0.000 -2.052) 3.372 13.156 ( -1.680 0.000 0.526) 1.760 13.164 ( 1.995 0.000 -0.183) 2.003 13.745 ( -0.443 0.000 1.393) 1.462 13.774 ( 0.522 0.000 -1.288) 1.390 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -2.663 0.000 10.226) 10.567 0.750 ( -2.100 0.000 -3.414) 4.008 0.837 ( -1.395 0.000 5.350) 5.529 0.917 ( 3.818 0.000 -5.831) 6.970 1.081 ( 0.135 0.000 2.320) 2.324 1.089 ( 0.595 0.000 -4.077) 4.120 1.188 ( -2.233 0.000 2.776) 3.562 1.380 ( 7.145 0.000 -3.023) 7.759 1.458 ( -2.646 0.000 4.160) 4.930 1.496 ( 1.068 0.000 -3.896) 4.040 1.525 ( -0.772 0.000 -13.159) 13.182 1.587 ( 1.545 0.000 10.534) 10.646 1.787 ( -4.945 0.000 -4.314) 6.562 1.901 ( 1.496 0.000 -1.209) 1.924 1.988 ( 1.580 0.000 5.737) 5.950 1.989 ( 0.117 0.000 1.042) 1.049 2.060 ( 1.053 0.000 -3.055) 3.231 2.164 ( 2.535 0.000 4.350) 5.035 2.312 ( -0.036 0.000 -0.304) 0.306 2.348 ( 2.654 0.000 -0.104) 2.657 2.449 ( -3.714 0.000 3.375) 5.018 2.537 ( -0.744 0.000 1.622) 1.784 2.559 ( 0.041 0.000 -1.759) 1.759 2.643 ( -4.281 0.000 1.386) 4.500 2.645 ( 4.013 0.000 -5.133) 6.515 2.679 ( -2.331 0.000 0.662) 2.423 2.898 ( -1.409 0.000 -3.024) 3.337 2.917 ( -0.192 0.000 4.113) 4.117 3.179 ( -1.079 0.000 -3.347) 3.517 3.236 ( 1.766 0.000 2.527) 3.083 3.382 ( -0.900 0.000 1.046) 1.380 3.393 ( -1.239 0.000 1.001) 1.592 3.507 ( 0.528 0.000 0.891) 1.036 3.509 ( -0.487 0.000 -3.396) 3.431 3.667 ( -0.342 0.000 -0.030) 0.343 3.740 ( 3.582 0.000 1.292) 3.808 3.840 ( -1.463 0.000 -1.940) 2.430 3.864 ( -0.211 0.000 -1.318) 1.335 4.095 ( -0.712 0.000 0.624) 0.946 4.122 ( 0.814 0.000 1.981) 2.141 4.251 ( 0.951 0.000 0.054) 0.953 4.275 ( 1.479 0.000 -1.449) 2.070 4.352 ( -0.939 0.000 -2.558) 2.725 4.396 ( 0.388 0.000 3.566) 3.587 4.927 ( -2.094 0.000 -0.077) 2.096 5.007 ( 2.486 0.000 -0.492) 2.534 6.254 ( -0.864 0.000 -0.192) 0.885 6.275 ( 0.339 0.000 0.308) 0.458 8.347 ( -1.415 0.000 -0.496) 1.499 8.391 ( 1.102 0.000 -0.012) 1.102 12.634 ( -1.929 0.000 1.695) 2.568 12.716 ( -0.359 0.000 -0.581) 0.682 12.727 ( -0.092 0.000 0.828) 0.834 12.747 ( 4.223 0.000 0.436) 4.246 12.975 ( -3.351 0.000 1.267) 3.582 13.055 ( 2.085 0.000 -2.230) 3.052 13.140 ( -0.788 0.000 0.295) 0.842 13.193 ( 1.936 0.000 -0.511) 2.002 13.758 ( 0.223 0.000 1.271) 1.291 13.772 ( 1.170 0.000 -1.402) 1.826 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -1.047 0.000 -10.843) 10.893 0.835 ( 4.343 0.000 3.307) 5.459 0.925 ( 4.068 0.000 -4.228) 5.867 0.935 ( 1.035 0.000 7.949) 8.016 1.061 ( 1.325 0.000 -3.205) 3.468 1.089 ( -1.432 0.000 2.013) 2.471 1.186 ( -1.974 0.000 3.033) 3.619 1.363 ( -4.009 0.000 -7.605) 8.597 1.432 ( 5.598 0.000 -7.669) 9.495 1.444 ( -4.708 0.000 3.980) 6.165 1.480 ( 1.840 0.000 -4.657) 5.008 1.665 ( -1.584 0.000 3.291) 3.653 1.688 ( 1.073 0.000 -4.058) 4.197 1.928 ( 2.175 0.000 0.720) 2.291 1.985 ( -2.051 0.000 3.251) 3.844 2.054 ( -0.807 0.000 4.671) 4.741 2.114 ( 5.566 0.000 -1.836) 5.861 2.236 ( 0.398 0.000 1.573) 1.623 2.284 ( -3.628 0.000 3.776) 5.236 2.385 ( 2.261 0.000 -0.934) 2.447 2.500 ( 2.713 0.000 4.786) 5.501 2.534 ( -1.823 0.000 1.383) 2.288 2.536 ( -0.277 0.000 -1.752) 1.774 2.591 ( -3.934 0.000 -0.301) 3.945 2.601 ( -2.867 0.000 1.688) 3.327 2.674 ( 1.531 0.000 -2.688) 3.094 2.849 ( -1.261 0.000 -1.782) 2.183 2.955 ( -0.462 0.000 3.335) 3.367 3.146 ( 1.664 0.000 -2.757) 3.220 3.281 ( 0.436 0.000 1.936) 1.985 3.360 ( -2.344 0.000 -1.667) 2.877 3.364 ( -2.445 0.000 -0.052) 2.446 3.479 ( 0.672 0.000 -0.560) 0.875 3.531 ( 1.419 0.000 0.333) 1.458 3.666 ( 0.341 0.000 -0.756) 0.829 3.796 ( 2.420 0.000 -3.843) 4.541 3.803 ( -1.195 0.000 -0.403) 1.262 3.843 ( 0.259 0.000 2.051) 2.068 4.091 ( -1.235 0.000 1.022) 1.603 4.131 ( -0.910 0.000 -0.838) 1.237 4.263 ( 0.598 0.000 -1.988) 2.076 4.285 ( 2.210 0.000 1.194) 2.512 4.353 ( 1.955 0.000 0.251) 1.971 4.436 ( -0.733 0.000 3.885) 3.953 4.903 ( -1.035 0.000 0.715) 1.258 5.033 ( 1.818 0.000 -1.130) 2.140 6.237 ( -0.905 0.000 -0.224) 0.933 6.277 ( -0.069 0.000 -0.315) 0.322 8.321 ( -1.029 0.000 -0.411) 1.108 8.403 ( 0.634 0.000 -0.295) 0.699 12.637 ( -0.369 0.000 1.845) 1.882 12.711 ( 0.224 0.000 -0.089) 0.241 12.729 ( -0.875 0.000 0.859) 1.226 12.816 ( 2.256 0.000 1.011) 2.473 12.933 ( -2.631 0.000 1.203) 2.893 13.064 ( 2.400 0.000 -2.546) 3.499 13.136 ( -0.157 0.000 0.258) 0.301 13.212 ( 1.270 0.000 -0.712) 1.456 13.778 ( 0.555 0.000 0.915) 1.070 13.780 ( 1.636 0.000 -1.439) 2.179 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 7.157 0.000 -1.957) 7.420 0.910 ( 8.219 0.000 -7.754) 11.299 0.939 ( -0.387 0.000 -0.635) 0.744 0.993 ( -2.861 0.000 3.569) 4.575 1.069 ( 4.104 0.000 -3.852) 5.628 1.096 ( -0.323 0.000 1.171) 1.215 1.213 ( -0.751 0.000 7.131) 7.170 1.223 ( -3.337 0.000 -3.676) 4.965 1.398 ( -5.691 0.000 3.382) 6.620 1.418 ( -0.894 0.000 -3.147) 3.271 1.470 ( 5.630 0.000 -5.216) 7.675 1.619 ( -4.969 0.000 -1.441) 5.174 1.740 ( 7.512 0.000 -1.219) 7.610 1.971 ( 0.376 0.000 2.066) 2.100 1.993 ( -0.542 0.000 1.556) 1.647 2.076 ( -1.482 0.000 3.702) 3.988 2.163 ( 4.561 0.000 -3.705) 5.877 2.203 ( -3.130 0.000 0.008) 3.130 2.309 ( -2.737 0.000 6.139) 6.722 2.388 ( 0.195 0.000 -2.090) 2.099 2.500 ( -0.044 0.000 -3.774) 3.774 2.510 ( -0.050 0.000 -1.849) 1.849 2.546 ( -5.294 0.000 4.771) 7.127 2.574 ( -1.032 0.000 2.903) 3.081 2.601 ( 1.185 0.000 1.756) 2.118 2.674 ( 1.755 0.000 -1.891) 2.580 2.827 ( 0.102 0.000 0.145) 0.178 2.971 ( -1.027 0.000 1.641) 1.936 3.166 ( 3.474 0.000 -2.461) 4.257 3.266 ( -2.287 0.000 -1.562) 2.769 3.301 ( -0.585 0.000 -2.260) 2.334 3.350 ( -0.885 0.000 2.296) 2.461 3.499 ( 0.086 0.000 1.928) 1.930 3.548 ( 0.709 0.000 -0.773) 1.049 3.657 ( 0.159 0.000 -1.534) 1.543 3.749 ( -0.113 0.000 -4.848) 4.849 3.794 ( -0.909 0.000 1.766) 1.986 3.915 ( 3.091 0.000 3.096) 4.374 4.082 ( -1.170 0.000 1.237) 1.703 4.083 ( -1.563 0.000 -3.556) 3.884 4.269 ( 1.733 0.000 -0.640) 1.847 4.328 ( 0.834 0.000 1.292) 1.537 4.397 ( 2.070 0.000 1.368) 2.481 4.457 ( -1.473 0.000 3.154) 3.481 4.910 ( -0.306 0.000 2.202) 2.223 5.041 ( 1.215 0.000 -1.794) 2.166 6.222 ( -0.727 0.000 -0.169) 0.747 6.265 ( -0.441 0.000 -1.026) 1.117 8.310 ( -0.111 0.000 0.348) 0.365 8.403 ( 0.111 0.000 -0.867) 0.874 12.659 ( 0.298 0.000 2.054) 2.076 12.719 ( 0.519 0.000 0.248) 0.575 12.721 ( -1.269 0.000 1.019) 1.628 12.812 ( -1.232 0.000 -1.581) 2.004 12.946 ( -0.026 0.000 3.413) 3.413 13.074 ( 2.526 0.000 -3.016) 3.934 13.139 ( -0.020 0.000 0.540) 0.541 13.216 ( 0.425 0.000 -1.064) 1.146 13.791 ( 1.673 0.000 -1.393) 2.178 13.792 ( 0.232 0.000 0.433) 0.491 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 6.844 0.000 3.830) 7.843 0.888 ( -3.018 0.000 -2.444) 3.884 0.939 ( -6.601 0.000 3.549) 7.495 0.962 ( 7.506 0.000 -5.230) 9.148 1.080 ( 0.280 0.000 -4.487) 4.495 1.088 ( 0.236 0.000 -2.209) 2.221 1.208 ( 5.822 0.000 0.674) 5.861 1.269 ( -5.591 0.000 6.636) 8.677 1.371 ( -0.271 0.000 2.491) 2.505 1.400 ( 2.836 0.000 -3.506) 4.510 1.493 ( 1.304 0.000 -1.426) 1.932 1.500 ( -5.468 0.000 -2.562) 6.038 1.882 ( 9.505 0.000 1.809) 9.675 1.965 ( -4.039 0.000 2.679) 4.847 2.001 ( 0.881 0.000 -0.312) 0.935 2.105 ( -1.616 0.000 2.840) 3.267 2.130 ( -5.327 0.000 -0.338) 5.338 2.192 ( 5.016 0.000 -4.490) 6.732 2.304 ( -4.550 0.000 4.051) 6.092 2.354 ( -0.813 0.000 -2.471) 2.601 2.461 ( 0.148 0.000 -2.361) 2.366 2.497 ( 0.183 0.000 -1.732) 1.742 2.523 ( -3.950 0.000 5.093) 6.446 2.589 ( 1.979 0.000 -0.355) 2.011 2.624 ( -0.752 0.000 1.422) 1.609 2.682 ( 2.075 0.000 -2.286) 3.087 2.859 ( 1.722 0.000 2.372) 2.931 2.956 ( -1.731 0.000 -0.406) 1.778 3.171 ( 0.766 0.000 -1.906) 2.054 3.210 ( -1.488 0.000 -2.311) 2.749 3.325 ( 4.505 0.000 -0.339) 4.517 3.354 ( -2.346 0.000 2.331) 3.307 3.510 ( -1.770 0.000 2.081) 2.732 3.539 ( 0.159 0.000 -1.630) 1.638 3.644 ( 0.303 0.000 -0.948) 0.996 3.702 ( 0.289 0.000 -3.863) 3.874 3.819 ( 0.711 0.000 3.417) 3.490 3.968 ( -0.626 0.000 -1.178) 1.334 4.036 ( 1.711 0.000 -1.102) 2.035 4.078 ( -1.391 0.000 1.008) 1.717 4.296 ( 2.082 0.000 -0.141) 2.087 4.331 ( -1.366 0.000 0.068) 1.368 4.444 ( 1.519 0.000 1.615) 2.217 4.463 ( -1.501 0.000 2.268) 2.720 4.937 ( -0.139 0.000 3.165) 3.168 5.032 ( 0.622 0.000 -2.501) 2.577 6.214 ( -0.183 0.000 0.183) 0.259 6.244 ( -0.467 0.000 -1.331) 1.410 8.324 ( 0.593 0.000 1.298) 1.427 8.388 ( -0.382 0.000 -1.537) 1.584 12.688 ( 0.144 0.000 2.482) 2.486 12.715 ( -0.872 0.000 1.098) 1.403 12.727 ( 0.259 0.000 0.006) 0.259 12.776 ( -0.291 0.000 -2.374) 2.392 12.978 ( -0.965 0.000 3.741) 3.864 13.076 ( 2.278 0.000 -3.612) 4.270 13.149 ( 0.008 0.000 1.227) 1.227 13.203 ( -0.345 0.000 -1.392) 1.434 13.793 ( -0.557 0.000 0.233) 0.604 13.801 ( 1.305 0.000 -1.207) 1.778 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -6.270 0.000 4.195) 7.544 0.798 ( -4.986 0.000 -2.353) 5.513 0.924 ( 1.637 0.000 2.864) 3.299 1.037 ( 7.261 0.000 -3.989) 8.285 1.039 ( -0.285 0.000 -0.333) 0.438 1.060 ( 0.073 0.000 -3.077) 3.078 1.182 ( -9.780 0.000 2.460) 10.085 1.354 ( -2.749 0.000 0.431) 2.782 1.360 ( 8.827 0.000 0.514) 8.842 1.420 ( 4.726 0.000 -3.554) 5.913 1.459 ( -1.775 0.000 1.840) 2.557 1.480 ( 0.143 0.000 -1.307) 1.315 1.912 ( -8.635 0.000 1.589) 8.780 1.962 ( -6.556 0.000 -0.418) 6.569 1.990 ( 0.259 0.000 0.476) 0.542 2.083 ( 8.245 0.000 2.660) 8.664 2.132 ( -1.615 0.000 1.998) 2.569 2.206 ( 2.106 0.000 -5.045) 5.467 2.297 ( -0.692 0.000 3.093) 3.169 2.342 ( 2.510 0.000 0.190) 2.518 2.452 ( -0.799 0.000 1.097) 1.357 2.464 ( -1.920 0.000 -1.261) 2.297 2.534 ( -0.157 0.000 2.294) 2.299 2.619 ( -1.866 0.000 1.915) 2.674 2.631 ( 4.809 0.000 -2.465) 5.404 2.687 ( 2.153 0.000 -3.031) 3.718 2.909 ( -2.260 0.000 -1.938) 2.977 2.919 ( 1.875 0.000 2.669) 3.262 3.173 ( -0.353 0.000 -1.706) 1.742 3.179 ( 1.670 0.000 0.232) 1.686 3.321 ( -3.436 0.000 0.365) 3.455 3.395 ( 4.283 0.000 -1.355) 4.492 3.496 ( -2.354 0.000 2.560) 3.478 3.527 ( -0.120 0.000 -0.265) 0.291 3.647 ( -0.040 0.000 0.937) 0.938 3.667 ( -0.067 0.000 -2.914) 2.915 3.893 ( 2.986 0.000 4.274) 5.214 3.905 ( -0.908 0.000 -4.637) 4.725 4.047 ( -2.858 0.000 -0.569) 2.915 4.079 ( 1.681 0.000 1.008) 1.960 4.296 ( -2.421 0.000 -0.268) 2.436 4.329 ( 1.796 0.000 0.177) 1.805 4.455 ( -1.714 0.000 0.858) 1.917 4.478 ( 1.086 0.000 0.811) 1.356 4.970 ( -0.352 0.000 3.232) 3.251 5.006 ( 0.098 0.000 -3.125) 3.126 6.221 ( 0.447 0.000 0.737) 0.862 6.226 ( -0.057 0.000 -1.003) 1.004 8.353 ( 0.743 0.000 1.653) 1.812 8.359 ( -0.654 0.000 -1.921) 2.030 12.711 ( -0.847 0.000 2.520) 2.659 12.723 ( 0.334 0.000 1.423) 1.462 12.727 ( -0.191 0.000 -0.569) 0.600 12.749 ( 0.512 0.000 -2.520) 2.571 12.999 ( -1.573 0.000 3.634) 3.960 13.065 ( 1.757 0.000 -4.283) 4.629 13.166 ( -0.144 0.000 1.883) 1.889 13.178 ( -0.748 0.000 -1.336) 1.532 13.782 ( -1.298 0.000 0.494) 1.389 13.805 ( 0.723 0.000 -0.898) 1.153 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -9.931 0.000 -6.416) 11.824 0.703 ( -11.288 0.000 8.745) 14.279 0.979 ( -5.375 0.000 1.501) 5.581 0.980 ( 4.015 0.000 -2.588) 4.777 1.061 ( 0.140 0.000 -2.714) 2.718 1.065 ( 0.902 0.000 3.075) 3.205 1.157 ( 0.742 0.000 4.058) 4.126 1.338 ( -2.271 0.000 2.441) 3.334 1.373 ( -0.025 0.000 -6.199) 6.199 1.410 ( -5.422 0.000 2.147) 5.832 1.474 ( 5.948 0.000 -3.285) 6.795 1.568 ( 7.329 0.000 2.356) 7.699 1.726 ( -10.805 0.000 -0.094) 10.805 1.967 ( 1.453 0.000 3.000) 3.333 1.987 ( -1.500 0.000 0.852) 1.725 2.121 ( -1.165 0.000 0.681) 1.349 2.159 ( -0.207 0.000 -4.033) 4.039 2.194 ( 3.043 0.000 0.390) 3.068 2.332 ( -0.059 0.000 3.215) 3.216 2.403 ( -3.508 0.000 2.199) 4.141 2.448 ( 7.641 0.000 -2.713) 8.109 2.455 ( -0.935 0.000 2.255) 2.441 2.566 ( 1.836 0.000 1.185) 2.185 2.614 ( -0.468 0.000 1.174) 1.264 2.673 ( 3.902 0.000 -3.304) 5.113 2.683 ( 1.825 0.000 -3.746) 4.167 2.849 ( -2.238 0.000 -1.810) 2.878 2.970 ( 1.366 0.000 1.700) 2.181 3.149 ( -1.358 0.000 -1.049) 1.716 3.229 ( 3.085 0.000 1.451) 3.409 3.276 ( -1.290 0.000 0.004) 1.290 3.405 ( -0.025 0.000 -2.349) 2.349 3.513 ( 0.565 0.000 2.311) 2.379 3.522 ( -1.078 0.000 0.249) 1.106 3.641 ( -0.138 0.000 -0.822) 0.834 3.663 ( -0.529 0.000 2.947) 2.994 3.856 ( 0.643 0.000 -4.051) 4.102 3.974 ( -1.915 0.000 -2.398) 3.069 4.000 ( 2.119 0.000 4.199) 4.703 4.099 ( 0.380 0.000 0.012) 0.381 4.258 ( -2.243 0.000 0.322) 2.266 4.346 ( 0.070 0.000 -0.414) 0.419 4.425 ( -2.114 0.000 -0.674) 2.218 4.498 ( 1.119 0.000 -0.472) 1.215 4.969 ( -0.153 0.000 -3.258) 3.262 4.993 ( -0.848 0.000 2.641) 2.773 6.222 ( 0.480 0.000 -0.319) 0.577 6.241 ( 0.706 0.000 1.075) 1.286 8.329 ( -0.555 0.000 -1.508) 1.607 8.380 ( 0.408 0.000 1.331) 1.392 12.703 ( -0.475 0.000 -1.984) 2.041 12.719 ( -0.477 0.000 0.537) 0.718 12.744 ( 1.046 0.000 -1.200) 1.592 12.757 ( 0.704 0.000 3.506) 3.576 13.008 ( -1.892 0.000 3.134) 3.661 13.036 ( 0.943 0.000 -4.952) 5.041 13.153 ( -0.796 0.000 -0.783) 1.117 13.182 ( -0.615 0.000 2.012) 2.104 13.765 ( -1.665 0.000 0.925) 1.904 13.804 ( 0.156 0.000 -0.693) 0.711 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -9.814 0.000 3.253) 10.340 0.643 ( -10.685 0.000 12.579) 16.505 0.967 ( -2.125 0.000 4.683) 5.143 0.991 ( 1.937 0.000 -4.146) 4.576 1.047 ( -3.879 0.000 4.090) 5.637 1.110 ( 1.420 0.000 1.089) 1.790 1.147 ( -7.650 0.000 5.243) 9.274 1.306 ( 1.544 0.000 -6.960) 7.129 1.314 ( -1.330 0.000 2.427) 2.768 1.420 ( 1.635 0.000 2.394) 2.899 1.522 ( 3.793 0.000 -2.795) 4.712 1.615 ( -4.207 0.000 3.800) 5.670 1.692 ( 6.109 0.000 -0.399) 6.122 1.951 ( -2.770 0.000 -0.857) 2.900 2.030 ( 3.522 0.000 -0.374) 3.542 2.106 ( -1.302 0.000 -0.656) 1.458 2.129 ( 0.467 0.000 -2.497) 2.541 2.224 ( 0.313 0.000 1.361) 1.397 2.348 ( -2.094 0.000 2.294) 3.106 2.351 ( -2.221 0.000 -1.502) 2.681 2.478 ( -0.728 0.000 4.412) 4.472 2.523 ( 3.792 0.000 -1.951) 4.264 2.618 ( 3.481 0.000 0.070) 3.482 2.638 ( 2.200 0.000 0.588) 2.277 2.645 ( 0.166 0.000 -6.536) 6.538 2.671 ( 1.274 0.000 -4.874) 5.037 2.821 ( -0.087 0.000 0.831) 0.835 3.000 ( 1.335 0.000 -0.215) 1.352 3.112 ( -1.371 0.000 -0.062) 1.372 3.295 ( 2.452 0.000 0.988) 2.644 3.300 ( 2.104 0.000 2.589) 3.336 3.372 ( -0.527 0.000 -1.302) 1.405 3.489 ( -2.610 0.000 -0.593) 2.676 3.535 ( 0.002 0.000 0.011) 0.011 3.647 ( 0.312 0.000 0.839) 0.895 3.697 ( -0.815 0.000 4.751) 4.821 3.825 ( 0.117 0.000 -2.822) 2.824 3.900 ( -2.153 0.000 -2.736) 3.482 4.092 ( 3.337 0.000 2.570) 4.212 4.106 ( 0.812 0.000 -0.205) 0.837 4.233 ( -1.575 0.000 0.931) 1.829 4.316 ( -2.362 0.000 -1.455) 2.774 4.377 ( -2.196 0.000 -1.550) 2.688 4.502 ( 0.867 0.000 -1.989) 2.170 4.933 ( -0.211 0.000 -2.289) 2.299 5.001 ( -1.364 0.000 1.864) 2.310 6.232 ( 0.739 0.000 0.217) 0.770 6.263 ( 0.424 0.000 0.930) 1.022 8.316 ( 0.282 0.000 -0.064) 0.289 8.393 ( -0.163 0.000 0.690) 0.709 12.678 ( 0.200 0.000 -1.998) 2.007 12.711 ( -0.617 0.000 0.007) 0.617 12.748 ( 0.703 0.000 -0.875) 1.122 12.818 ( 1.652 0.000 1.964) 2.566 12.985 ( 0.037 0.000 -4.447) 4.447 13.009 ( -1.893 0.000 2.615) 3.228 13.137 ( -0.579 0.000 0.110) 0.589 13.187 ( -1.268 0.000 1.592) 2.035 13.750 ( -1.608 0.000 1.217) 2.016 13.795 ( -0.150 0.000 -0.792) 0.806 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 3.162 0.000 15.680) 15.996 0.641 ( -7.787 0.000 13.903) 15.935 0.958 ( 1.118 0.000 -5.782) 5.889 0.972 ( -1.784 0.000 0.988) 2.039 1.008 ( -5.015 0.000 4.421) 6.685 1.113 ( -7.342 0.000 13.563) 15.423 1.133 ( 1.418 0.000 -1.101) 1.795 1.277 ( 3.411 0.000 -5.594) 6.552 1.366 ( 0.589 0.000 2.935) 2.993 1.434 ( -1.826 0.000 2.657) 3.224 1.532 ( 1.593 0.000 -2.765) 3.191 1.706 ( 7.973 0.000 3.766) 8.817 1.740 ( 2.987 0.000 -4.771) 5.629 1.901 ( -1.677 0.000 -0.975) 1.940 2.043 ( -3.848 0.000 -2.975) 4.864 2.059 ( 2.661 0.000 -2.821) 3.878 2.085 ( -2.293 0.000 -3.679) 4.335 2.226 ( -1.604 0.000 -0.064) 1.606 2.320 ( -0.283 0.000 -0.748) 0.800 2.324 ( -3.086 0.000 1.873) 3.610 2.520 ( -2.049 0.000 5.989) 6.330 2.528 ( 0.760 0.000 -4.233) 4.301 2.583 ( 2.308 0.000 -4.206) 4.798 2.613 ( -1.055 0.000 -4.541) 4.662 2.672 ( 3.498 0.000 -1.029) 3.647 2.687 ( 2.480 0.000 -0.017) 2.480 2.845 ( 0.581 0.000 1.886) 1.974 2.999 ( 0.747 0.000 -3.298) 3.382 3.125 ( 1.328 0.000 1.644) 2.114 3.288 ( -1.273 0.000 -2.167) 2.513 3.376 ( 2.462 0.000 2.494) 3.505 3.395 ( 1.735 0.000 0.956) 1.981 3.444 ( -2.190 0.000 1.476) 2.641 3.519 ( -0.592 0.000 -0.780) 0.979 3.655 ( -0.094 0.000 0.708) 0.714 3.720 ( -2.568 0.000 3.204) 4.106 3.811 ( 0.402 0.000 0.625) 0.743 3.863 ( 0.589 0.000 -1.294) 1.422 4.107 ( -0.465 0.000 -0.615) 0.770 4.150 ( 1.606 0.000 -0.372) 1.648 4.234 ( -0.511 0.000 2.004) 2.068 4.255 ( -2.449 0.000 -0.795) 2.574 4.337 ( -0.480 0.000 -0.674) 0.827 4.476 ( -0.324 0.000 -3.481) 3.496 4.927 ( 1.459 0.000 -0.166) 1.469 4.991 ( -1.906 0.000 1.044) 2.173 6.247 ( 0.640 0.000 0.437) 0.775 6.273 ( -0.162 0.000 0.446) 0.475 8.337 ( 1.705 0.000 0.535) 1.787 8.390 ( -0.736 0.000 0.093) 0.742 12.670 ( 1.409 0.000 -1.675) 2.189 12.706 ( -0.087 0.000 0.352) 0.362 12.745 ( 0.016 0.000 -0.776) 0.776 12.771 ( -5.756 0.000 -2.293) 6.195 13.002 ( 4.481 0.000 -1.094) 4.612 13.007 ( -1.703 0.000 2.228) 2.805 13.140 ( 0.556 0.000 0.486) 0.738 13.177 ( -1.776 0.000 0.998) 2.037 13.742 ( -1.138 0.000 1.373) 1.783 13.783 ( -0.007 0.000 -1.069) 1.069 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -4.805 0.527 10.282) 11.361 0.723 ( 0.358 1.991 12.068) 12.236 0.866 ( 1.418 -2.660 -5.571) 6.335 0.951 ( 0.020 0.998 -4.236) 4.352 1.029 ( -0.689 -0.120 2.635) 2.727 1.120 ( 0.843 0.007 -3.086) 3.200 1.212 ( -4.320 2.119 5.092) 7.005 1.289 ( 4.753 -1.619 -2.412) 5.570 1.421 ( 0.087 0.918 7.193) 7.252 1.500 ( -0.701 3.872 5.525) 6.783 1.519 ( 1.953 -0.023 -2.672) 3.309 1.677 ( -0.581 0.262 -8.035) 8.060 1.832 ( 4.026 -1.632 2.653) 5.090 1.879 ( -0.099 0.599 0.368) 0.710 1.946 ( -3.069 0.033 0.593) 3.126 2.025 ( -1.201 1.551 -4.319) 4.743 2.108 ( 1.680 1.992 0.955) 2.775 2.166 ( -2.917 1.171 -3.568) 4.755 2.274 ( 2.023 -1.160 3.251) 4.001 2.346 ( -1.098 1.434 -2.714) 3.260 2.476 ( -3.811 -2.732 0.874) 4.770 2.484 ( -0.777 -3.239 0.446) 3.361 2.558 ( 1.003 -0.813 -1.842) 2.250 2.583 ( 3.530 -2.448 -2.385) 4.913 2.690 ( 0.206 -1.183 0.007) 1.201 2.696 ( -0.479 -0.218 -0.441) 0.687 2.899 ( -0.226 2.288 2.751) 3.585 2.973 ( -0.616 1.716 -3.817) 4.230 3.169 ( 1.675 -0.472 2.486) 3.035 3.229 ( -0.643 -0.991 -2.998) 3.222 3.363 ( -1.485 -2.192 1.119) 2.874 3.386 ( 0.319 -0.907 -0.913) 1.326 3.490 ( 0.604 0.110 2.706) 2.775 3.520 ( 0.493 -0.769 -0.465) 1.025 3.663 ( 2.834 -0.337 2.173) 3.587 3.706 ( -3.717 1.013 -1.265) 4.055 3.842 ( 1.507 -0.733 1.433) 2.205 3.859 ( 0.725 -1.008 -0.219) 1.261 4.076 ( -0.329 -1.264 0.780) 1.521 4.092 ( -1.133 -1.991 -0.967) 2.487 4.250 ( 0.947 -0.345 0.580) 1.163 4.259 ( -0.307 0.495 -0.267) 0.641 4.371 ( 0.624 1.838 2.040) 2.816 4.433 ( -1.267 1.196 -3.537) 3.943 4.954 ( 0.638 -0.712 0.529) 1.093 4.966 ( -0.381 -0.263 -0.691) 0.832 6.262 ( 0.485 -0.087 0.390) 0.628 6.265 ( -0.537 -0.302 0.093) 0.623 8.352 ( 0.595 -1.228 0.720) 1.543 8.369 ( -0.235 -0.781 -0.934) 1.240 12.654 ( -2.752 -1.273 1.330) 3.311 12.676 ( 1.160 -1.323 -0.601) 1.860 12.733 ( 0.903 1.270 -0.160) 1.567 12.740 ( -0.540 0.727 -0.598) 1.085 13.039 ( -2.245 3.668 1.494) 4.553 13.075 ( 2.403 3.201 -1.714) 4.354 13.157 ( -1.718 0.553 1.328) 2.241 13.186 ( 2.032 1.746 -1.282) 2.970 13.752 ( -0.393 0.724 1.292) 1.532 13.777 ( 0.475 0.397 -1.103) 1.265 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -1.634 -0.266 9.232) 9.380 0.762 ( -2.192 0.489 -6.407) 6.789 0.852 ( -0.338 1.206 4.494) 4.666 0.919 ( 3.819 0.365 -4.010) 5.550 1.063 ( -0.057 -1.141 2.564) 2.807 1.090 ( 0.528 0.053 -3.381) 3.422 1.189 ( -2.479 -0.305 2.455) 3.502 1.364 ( 5.588 -1.647 -2.132) 6.203 1.445 ( -2.802 -1.213 3.386) 4.559 1.509 ( 1.920 0.531 -5.697) 6.035 1.563 ( -1.139 3.762 -7.656) 8.606 1.601 ( 0.299 1.288 8.255) 8.360 1.791 ( -3.937 0.559 -4.464) 5.978 1.893 ( 1.273 -0.252 -0.100) 1.302 1.986 ( 1.018 0.196 4.068) 4.198 2.023 ( 3.264 2.141 0.227) 3.910 2.089 ( -1.254 2.967 -1.401) 3.513 2.171 ( 2.217 0.916 4.103) 4.753 2.308 ( 1.336 -0.692 -3.438) 3.753 2.344 ( -0.261 0.006 0.982) 1.016 2.428 ( -1.735 -1.677 5.420) 5.933 2.493 ( -1.357 -3.700 1.743) 4.310 2.550 ( 0.470 -0.808 -2.006) 2.213 2.608 ( 3.028 -2.541 -3.390) 5.207 2.647 ( -3.681 -0.953 -0.307) 3.815 2.696 ( -0.720 0.744 0.346) 1.091 2.898 ( -2.170 0.837 -0.252) 2.339 2.951 ( 0.292 2.649 1.286) 2.959 3.177 ( -0.979 -0.164 -3.299) 3.445 3.220 ( 1.350 -1.463 2.227) 2.987 3.350 ( -1.820 -1.784 0.902) 2.704 3.401 ( 1.635 -0.434 0.676) 1.821 3.495 ( -0.973 -0.323 -1.481) 1.802 3.530 ( 1.335 0.360 -0.539) 1.484 3.637 ( -1.997 -1.921 -0.966) 2.935 3.751 ( 3.617 0.845 2.792) 4.647 3.832 ( -1.263 -1.009 -1.928) 2.516 3.862 ( 0.006 0.072 -1.678) 1.680 4.078 ( -0.177 -1.314 0.780) 1.538 4.093 ( 0.484 -2.021 0.929) 2.276 4.250 ( 0.697 -0.340 -0.476) 0.910 4.286 ( 2.259 0.405 -0.306) 2.315 4.368 ( -1.824 1.692 -1.493) 2.902 4.413 ( 0.158 1.302 2.625) 2.934 4.924 ( -1.930 -0.257 -0.156) 1.953 4.998 ( 2.327 -0.874 -0.117) 2.488 6.253 ( -0.852 -0.158 -0.097) 0.872 6.272 ( 0.316 -0.272 0.147) 0.442 8.339 ( -1.307 -0.790 -0.527) 1.616 8.378 ( 0.948 -1.261 0.066) 1.579 12.633 ( -1.469 -0.183 1.519) 2.121 12.706 ( 1.562 -1.893 0.564) 2.519 12.726 ( -0.289 0.933 -0.384) 1.049 12.753 ( 1.872 0.454 -0.102) 1.929 13.005 ( -3.509 3.044 1.200) 4.797 13.097 ( 2.310 4.002 -1.469) 4.849 13.142 ( -1.200 0.353 0.807) 1.488 13.215 ( 2.740 2.034 -1.135) 3.596 13.763 ( 0.152 0.531 1.044) 1.181 13.777 ( 1.010 0.440 -1.190) 1.622 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -1.148 1.227 -9.653) 9.798 0.827 ( 3.905 -0.432 4.125) 5.697 0.900 ( 4.684 -1.178 -2.621) 5.496 0.980 ( 1.200 2.896 5.674) 6.482 1.048 ( 1.105 -0.781 -3.491) 3.744 1.102 ( -0.488 0.854 2.613) 2.792 1.185 ( -1.758 -0.118 3.089) 3.556 1.338 ( -4.272 -2.848 -4.742) 6.989 1.433 ( -4.360 -0.661 1.823) 4.772 1.458 ( 6.193 1.617 -9.590) 11.530 1.504 ( -2.142 2.396 -1.593) 3.587 1.641 ( -1.134 -1.467 1.154) 2.185 1.726 ( 1.512 2.899 -2.175) 3.927 1.912 ( 1.117 -0.821 0.258) 1.410 2.025 ( -0.900 1.243 1.802) 2.367 2.050 ( 1.178 2.233 1.661) 3.022 2.130 ( 3.500 1.144 0.372) 3.701 2.240 ( 0.378 0.504 1.705) 1.817 2.303 ( -2.637 1.766 2.495) 4.037 2.328 ( 2.366 -4.537 0.553) 5.147 2.472 ( -2.140 -3.348 0.868) 4.067 2.517 ( 1.228 -0.596 1.017) 1.702 2.537 ( 0.333 0.261 2.512) 2.547 2.579 ( -4.003 -1.482 0.294) 4.279 2.610 ( 1.132 -0.281 -1.563) 1.950 2.684 ( -0.247 0.614 -0.766) 1.012 2.865 ( -0.865 1.877 -0.453) 2.116 2.975 ( -0.545 1.897 2.716) 3.358 3.146 ( 1.460 0.257 -2.367) 2.793 3.262 ( 0.708 -1.778 2.159) 2.885 3.314 ( -2.646 -2.068 -0.730) 3.437 3.427 ( -1.800 3.406 -2.556) 4.623 3.444 ( 1.127 -2.325 0.066) 2.584 3.558 ( 1.618 1.404 0.604) 2.225 3.615 ( 0.219 -3.916 -1.208) 4.104 3.782 ( -1.637 -2.594 -1.625) 3.471 3.820 ( 1.009 1.428 -3.275) 3.713 3.851 ( 1.718 1.573 3.336) 4.069 4.078 ( -0.727 -1.483 -0.489) 1.723 4.096 ( -0.598 -2.323 -0.002) 2.399 4.268 ( 1.663 -0.273 -0.342) 1.720 4.312 ( 1.033 2.174 0.223) 2.417 4.350 ( 0.974 0.016 0.065) 0.977 4.442 ( -1.009 0.298 3.367) 3.528 4.902 ( -0.925 -0.038 0.624) 1.117 5.027 ( 1.635 -0.681 -0.616) 1.875 6.237 ( -0.918 -0.058 -0.128) 0.928 6.273 ( -0.038 -0.407 -0.373) 0.554 8.314 ( -0.947 -0.620 -0.378) 1.193 8.389 ( 0.461 -1.420 -0.148) 1.500 12.638 ( -0.116 0.066 1.594) 1.600 12.719 ( 0.023 -0.050 0.204) 0.211 12.726 ( -0.155 0.306 0.532) 0.633 12.787 ( 1.635 -2.178 -0.118) 2.726 12.968 ( -2.364 3.558 1.720) 4.605 13.112 ( 1.276 3.785 -1.225) 4.178 13.141 ( 0.385 1.141 0.155) 1.214 13.241 ( 2.031 2.636 -1.290) 3.569 13.777 ( 0.828 0.123 0.025) 0.838 13.783 ( 1.033 0.317 -0.607) 1.239 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 5.882 1.162 -1.202) 6.114 0.912 ( 5.430 -0.070 -2.560) 6.004 0.938 ( 1.516 0.462 -1.127) 1.945 1.030 ( -1.500 2.903 1.831) 3.746 1.054 ( 3.901 -0.703 -1.839) 4.370 1.106 ( -0.357 0.525 -1.276) 1.425 1.203 ( -3.067 -2.337 -3.012) 4.893 1.226 ( -1.367 1.195 6.751) 6.991 1.378 ( -3.937 -0.981 1.862) 4.464 1.441 ( -1.672 1.311 -3.086) 3.747 1.468 ( 3.508 0.081 -3.618) 5.040 1.609 ( -3.641 -0.763 -1.247) 3.924 1.769 ( 6.362 2.806 -1.425) 7.098 1.927 ( -0.007 -2.598 0.502) 2.646 2.023 ( -0.991 1.279 0.257) 1.638 2.088 ( 1.055 1.981 2.080) 3.060 2.167 ( 3.146 0.546 -2.825) 4.264 2.231 ( -2.249 1.841 1.564) 3.301 2.301 ( -3.577 0.026 4.360) 5.640 2.371 ( 0.775 -2.580 -0.003) 2.693 2.452 ( -0.366 -3.160 -0.304) 3.195 2.482 ( 0.224 -2.516 -4.727) 5.360 2.542 ( -3.837 -0.327 4.538) 5.952 2.588 ( -0.387 0.295 3.159) 3.196 2.620 ( 1.638 2.022 -1.029) 2.799 2.683 ( 0.912 0.310 -0.730) 1.209 2.865 ( 0.050 3.658 1.481) 3.947 2.988 ( -0.961 1.676 1.685) 2.563 3.166 ( 3.610 0.035 -2.154) 4.204 3.259 ( -2.487 -0.696 -1.304) 2.893 3.286 ( -0.243 -1.430 1.507) 2.092 3.369 ( -0.713 1.415 -2.273) 2.771 3.472 ( 0.214 -1.162 1.627) 2.011 3.582 ( 0.827 1.335 -0.086) 1.573 3.609 ( 0.823 -3.359 -1.601) 3.811 3.727 ( -1.168 -2.686 -3.716) 4.732 3.801 ( -0.511 0.920 0.415) 1.131 3.930 ( 2.614 1.409 3.103) 4.295 4.043 ( -1.157 -3.161 -2.770) 4.359 4.086 ( -0.671 -0.059 0.346) 0.757 4.287 ( 1.371 0.948 -0.364) 1.706 4.332 ( 0.369 0.795 1.008) 1.336 4.384 ( 1.872 -1.211 1.208) 2.536 4.454 ( -1.626 -0.449 2.731) 3.210 4.907 ( -0.231 -0.177 1.773) 1.796 5.036 ( 0.844 -0.634 -1.405) 1.757 6.222 ( -0.726 0.065 -0.033) 0.729 6.263 ( -0.337 -0.281 -0.925) 1.024 8.305 ( -0.135 -0.501 0.417) 0.666 8.389 ( 0.033 -1.443 -0.674) 1.593 12.660 ( 0.413 0.051 1.774) 1.822 12.719 ( -0.721 -0.247 0.629) 0.989 12.730 ( 0.246 0.957 0.237) 1.017 12.785 ( -0.460 -2.259 -1.345) 2.669 12.978 ( -0.429 3.369 3.347) 4.768 13.116 ( 0.971 3.151 -1.077) 3.469 13.151 ( 0.869 2.050 -0.441) 2.269 13.248 ( 0.941 2.964 -1.740) 3.564 13.789 ( 1.341 -0.092 -1.002) 1.677 13.792 ( 0.333 0.006 0.023) 0.334 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 7.173 0.145 4.704) 8.579 0.905 ( -3.528 1.580 -0.475) 3.895 0.944 ( -1.578 0.930 0.233) 1.847 1.005 ( 2.050 2.951 -3.566) 5.062 1.062 ( -0.129 -0.589 -3.503) 3.554 1.094 ( 0.420 0.405 -1.816) 1.908 1.195 ( 5.398 -1.629 2.081) 6.010 1.283 ( -3.752 0.656 5.245) 6.482 1.350 ( -2.105 -1.704 1.942) 3.333 1.408 ( 2.858 0.758 -4.205) 5.141 1.478 ( 0.073 -0.769 -0.621) 0.991 1.515 ( -3.650 1.365 -2.445) 4.601 1.896 ( 9.046 1.464 1.603) 9.303 1.926 ( -1.867 -2.843 2.327) 4.121 1.996 ( -1.416 0.073 -1.221) 1.871 2.126 ( 0.052 1.508 2.100) 2.586 2.152 ( -3.982 2.134 -3.390) 5.649 2.213 ( 1.728 1.172 -2.314) 3.117 2.277 ( -3.308 -1.352 3.797) 5.214 2.353 ( -0.844 -1.862 -1.453) 2.508 2.429 ( -2.221 -2.892 0.560) 3.689 2.469 ( 3.368 -1.037 -3.721) 5.125 2.542 ( -3.331 1.514 5.509) 6.613 2.613 ( -0.879 0.200 3.120) 3.248 2.634 ( 2.362 1.953 -2.231) 3.791 2.685 ( 1.473 0.623 -2.162) 2.689 2.895 ( 0.625 3.236 2.628) 4.215 2.977 ( -1.443 2.048 -0.202) 2.514 3.192 ( 1.714 1.586 -1.739) 2.912 3.214 ( -0.943 0.608 -1.170) 1.621 3.302 ( -0.379 -2.032 2.121) 2.962 3.354 ( 1.467 -0.168 -1.763) 2.300 3.488 ( -0.829 -0.686 2.431) 2.658 3.578 ( -0.492 2.392 -1.745) 3.001 3.607 ( 1.067 -3.451 -0.765) 3.693 3.673 ( -0.534 -2.970 -3.485) 4.610 3.819 ( 0.706 0.108 2.793) 2.883 3.962 ( -1.326 -0.797 -2.494) 2.935 4.020 ( 1.833 -1.150 1.036) 2.398 4.081 ( -0.658 0.268 0.094) 0.717 4.307 ( 1.205 0.618 0.116) 1.359 4.336 ( -0.688 0.590 0.085) 0.911 4.427 ( 1.393 -1.622 1.609) 2.676 4.453 ( -1.562 -1.050 1.779) 2.590 4.931 ( 0.032 -0.540 2.719) 2.772 5.023 ( 0.171 -0.976 -2.348) 2.548 6.216 ( -0.197 0.210 0.314) 0.426 6.245 ( -0.348 0.048 -1.189) 1.240 8.318 ( 0.506 -0.576 1.277) 1.489 8.375 ( -0.326 -1.208 -1.310) 1.812 12.686 ( -0.143 -0.398 2.067) 2.110 12.715 ( -0.485 -0.063 0.708) 0.860 12.735 ( 0.230 0.670 -0.105) 0.716 12.761 ( -0.090 -1.190 -1.791) 2.152 13.011 ( -0.842 3.315 4.018) 5.276 13.118 ( 1.589 3.828 -2.599) 4.892 13.160 ( 0.191 1.494 0.910) 1.759 13.233 ( -0.006 2.864 -2.183) 3.601 13.792 ( -0.468 -0.092 0.114) 0.491 13.798 ( 1.154 -0.234 -1.078) 1.596 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -6.851 1.843 -0.494) 7.112 0.868 ( -2.411 5.393 1.438) 6.079 0.904 ( 0.782 -1.764 3.616) 4.099 1.010 ( 2.671 -1.071 -1.565) 3.276 1.059 ( -0.950 0.147 -3.345) 3.481 1.078 ( 4.003 2.191 -1.256) 4.734 1.206 ( -7.889 1.864 0.940) 8.161 1.316 ( 0.513 -3.363 1.075) 3.568 1.352 ( 3.621 -1.436 1.794) 4.289 1.421 ( 4.754 -0.027 -4.282) 6.398 1.464 ( -1.076 1.057 1.103) 1.869 1.485 ( 0.848 0.957 -0.746) 1.480 1.909 ( -6.230 -0.409 3.380) 7.099 1.954 ( -4.027 0.305 -1.370) 4.264 1.990 ( -4.015 -1.124 -3.127) 5.212 2.070 ( 6.921 0.562 3.419) 7.740 2.145 ( -0.406 1.109 3.124) 3.340 2.200 ( 0.797 -0.226 -4.394) 4.471 2.303 ( -0.352 -0.225 3.440) 3.466 2.353 ( 3.870 -1.028 -1.316) 4.215 2.400 ( -2.989 -1.733 1.609) 3.812 2.477 ( 2.490 -0.319 -3.651) 4.431 2.554 ( -2.302 1.991 4.816) 5.697 2.613 ( -3.051 -0.041 2.732) 4.096 2.646 ( 3.023 0.128 -3.610) 4.710 2.695 ( 3.188 1.582 -2.758) 4.503 2.932 ( -0.767 2.043 1.490) 2.643 2.951 ( 0.655 2.950 -0.167) 3.027 3.179 ( -1.364 1.037 -0.055) 1.715 3.214 ( 2.084 2.756 -1.465) 3.753 3.301 ( -2.217 -1.651 1.757) 3.275 3.370 ( 2.881 -2.305 -2.690) 4.566 3.506 ( -1.252 0.866 3.377) 3.704 3.541 ( -0.649 0.915 -1.668) 2.011 3.609 ( -1.322 -3.435 0.017) 3.681 3.645 ( 1.518 -2.056 -1.685) 3.061 3.883 ( 2.048 -0.932 3.211) 3.921 3.898 ( -0.501 -0.760 -3.713) 3.823 4.047 ( -1.911 0.167 0.013) 1.919 4.071 ( 0.941 -0.631 0.354) 1.187 4.307 ( -1.875 0.911 0.187) 2.093 4.336 ( 1.328 0.482 -0.120) 1.418 4.440 ( -1.719 -1.560 0.715) 2.430 4.464 ( 1.271 -1.500 0.805) 2.125 4.962 ( -0.420 -0.764 2.710) 2.846 4.995 ( 0.249 -1.119 -2.581) 2.824 6.223 ( 0.352 0.207 0.739) 0.845 6.229 ( 0.025 0.315 -0.958) 1.008 8.344 ( 0.459 -0.849 1.310) 1.627 8.352 ( -0.311 -0.764 -1.513) 1.724 12.699 ( -0.938 -1.152 2.321) 2.756 12.716 ( -0.434 -0.858 -0.033) 0.962 12.735 ( 0.072 0.710 -0.316) 0.780 12.748 ( 0.931 0.144 -1.272) 1.582 13.036 ( -1.554 3.734 3.996) 5.686 13.104 ( 1.593 3.874 -4.322) 6.019 13.180 ( -0.327 1.505 2.523) 2.956 13.204 ( -0.472 2.449 -2.201) 3.326 13.781 ( -1.140 0.000 0.386) 1.204 13.802 ( 0.652 -0.298 -0.801) 1.075 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -9.446 0.915 -4.137) 10.352 0.789 ( -9.194 6.637 4.563) 12.223 0.955 ( -0.448 -1.055 -0.169) 1.158 1.020 ( 0.241 2.787 0.082) 2.798 1.046 ( 0.142 -1.284 1.887) 2.287 1.082 ( 0.912 2.009 -2.753) 3.528 1.171 ( 1.160 0.211 2.320) 2.603 1.319 ( -2.776 -1.342 4.090) 5.122 1.363 ( -0.211 -0.773 -4.415) 4.487 1.414 ( -2.639 0.989 0.370) 2.842 1.480 ( 4.116 0.095 -2.902) 5.037 1.568 ( 6.600 -0.161 2.251) 6.975 1.747 ( -10.243 2.387 0.134) 10.519 1.911 ( -2.498 -3.611 1.489) 4.637 1.992 ( 1.252 -0.386 1.783) 2.213 2.127 ( 0.057 2.002 0.989) 2.234 2.147 ( -0.552 -1.101 -2.840) 3.096 2.235 ( 2.460 2.355 2.470) 4.207 2.325 ( -0.801 -0.938 1.858) 2.230 2.377 ( -1.191 -2.145 1.415) 2.832 2.424 ( 5.603 -2.126 -1.466) 6.170 2.471 ( 0.992 0.463 -2.032) 2.308 2.569 ( -1.660 0.719 2.448) 3.044 2.599 ( -1.071 -1.393 2.342) 2.928 2.647 ( 2.694 -0.949 -4.501) 5.331 2.709 ( 1.970 1.480 -2.619) 3.596 2.908 ( -0.287 4.771 -1.816) 5.113 2.988 ( 1.074 1.661 1.641) 2.570 3.148 ( -2.137 -0.065 -0.615) 2.225 3.244 ( 2.696 1.393 -0.034) 3.034 3.289 ( -0.558 1.143 0.796) 1.501 3.372 ( 0.483 -2.888 -1.870) 3.474 3.491 ( -1.578 -0.615 -0.235) 1.710 3.559 ( 0.491 1.475 2.480) 2.927 3.586 ( -0.820 -4.009 -0.106) 4.094 3.664 ( 0.636 -0.972 1.447) 1.855 3.845 ( -0.073 -0.797 -3.468) 3.559 3.972 ( 2.940 -2.168 3.338) 4.948 3.992 ( -2.665 1.037 -2.228) 3.626 4.086 ( -0.108 -0.900 0.627) 1.103 4.279 ( -1.763 1.627 0.338) 2.423 4.347 ( 0.023 0.082 -0.354) 0.365 4.410 ( -2.047 -1.549 -0.657) 2.650 4.488 ( 1.437 -1.003 -0.292) 1.777 4.949 ( -0.730 -1.317 -1.703) 2.273 5.002 ( 0.292 0.081 1.396) 1.429 6.225 ( 0.480 0.308 -0.411) 0.703 6.242 ( 0.583 -0.008 0.951) 1.116 8.324 ( -0.451 -0.473 -1.407) 1.551 8.370 ( 0.500 -1.001 1.101) 1.570 12.694 ( -0.914 -0.861 -1.225) 1.754 12.712 ( -0.603 -1.790 2.038) 2.778 12.737 ( 0.442 0.623 -0.337) 0.835 12.759 ( 0.904 0.098 0.259) 0.946 13.043 ( -1.480 3.756 1.168) 4.202 13.081 ( 0.774 4.095 -2.613) 4.919 13.172 ( -0.622 1.934 -1.441) 2.490 13.202 ( -0.736 1.858 2.461) 3.170 13.766 ( -1.456 0.175 0.805) 1.673 13.801 ( 0.151 -0.259 -0.595) 0.666 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -7.502 4.641 2.081) 9.063 0.703 ( -9.644 5.354 8.203) 13.746 0.956 ( -1.174 -1.318 2.705) 3.230 0.987 ( -0.634 0.477 -3.808) 3.890 1.075 ( -0.534 2.271 1.052) 2.559 1.111 ( 2.122 0.543 1.991) 2.960 1.182 ( -5.169 2.251 5.099) 7.602 1.279 ( -3.998 -0.121 1.605) 4.310 1.326 ( 1.809 -0.021 -3.171) 3.650 1.435 ( 3.202 0.564 2.077) 3.858 1.502 ( 1.510 -0.998 -1.442) 2.314 1.635 ( -2.547 1.120 1.513) 3.167 1.691 ( 3.787 0.393 1.401) 4.057 1.887 ( -2.988 -3.817 2.090) 5.279 2.035 ( 1.879 -1.660 0.280) 2.523 2.096 ( -0.428 1.159 -2.465) 2.757 2.153 ( 0.658 1.668 -0.812) 1.969 2.254 ( -0.777 1.941 0.036) 2.091 2.301 ( -3.221 -1.823 0.910) 3.812 2.387 ( 0.096 0.221 -0.540) 0.592 2.474 ( 0.552 0.126 1.214) 1.340 2.484 ( 3.324 -3.795 -1.270) 5.202 2.560 ( -0.644 -3.684 -0.171) 3.743 2.621 ( 1.284 -0.142 -0.073) 1.294 2.645 ( 2.482 -0.490 -2.726) 3.719 2.697 ( 0.430 0.681 -3.033) 3.138 2.885 ( 0.313 4.874 -2.410) 5.446 3.015 ( 1.106 1.305 -0.092) 1.714 3.112 ( -1.288 0.230 0.301) 1.342 3.294 ( 2.985 -0.473 0.612) 3.083 3.298 ( 0.198 -0.538 -0.374) 0.684 3.364 ( 0.278 -0.250 1.308) 1.360 3.459 ( -2.256 -1.792 -0.331) 2.900 3.571 ( -0.645 2.274 -0.277) 2.380 3.587 ( 0.112 -3.808 1.058) 3.954 3.708 ( 0.997 -0.566 4.140) 4.296 3.809 ( -0.863 -1.085 -1.700) 2.193 3.922 ( -2.155 1.431 -3.184) 4.102 4.044 ( 1.920 -3.423 2.249) 4.523 4.092 ( 0.350 -1.008 0.725) 1.290 4.258 ( -1.480 1.344 0.521) 2.066 4.326 ( -1.772 0.940 -0.821) 2.168 4.366 ( -1.643 -0.721 -1.179) 2.147 4.500 ( 1.220 -0.458 -1.739) 2.174 4.924 ( -0.101 -0.602 -1.337) 1.470 5.012 ( -0.572 0.466 0.621) 0.965 6.234 ( 0.746 0.179 0.082) 0.772 6.259 ( 0.298 -0.350 0.826) 0.945 8.312 ( 0.232 -0.390 -0.240) 0.513 8.384 ( 0.144 -1.040 0.421) 1.132 12.668 ( -0.507 -0.828 -1.157) 1.510 12.718 ( -0.639 -0.925 0.650) 1.298 12.740 ( 0.396 -0.076 -0.512) 0.652 12.778 ( 0.022 -1.944 0.787) 2.097 13.020 ( 0.700 3.933 -2.729) 4.838 13.076 ( -0.840 5.006 1.136) 5.202 13.153 ( -0.340 1.571 -0.533) 1.693 13.208 ( -1.447 1.919 1.720) 2.955 13.754 ( -1.378 0.408 1.112) 1.817 13.794 ( -0.104 -0.094 -0.649) 0.664 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 2.463 2.658 13.688) 14.159 0.666 ( -7.789 2.613 10.304) 13.179 0.917 ( 0.145 -2.452 -5.856) 6.351 0.973 ( -2.323 0.103 3.174) 3.935 1.046 ( -0.319 2.282 -3.152) 3.904 1.130 ( -1.314 1.233 0.928) 2.027 1.189 ( -4.913 4.729 11.123) 13.047 1.266 ( 2.068 -0.511 -1.980) 2.908 1.353 ( 1.423 -0.632 1.613) 2.242 1.482 ( -1.140 3.993 2.493) 4.844 1.516 ( 2.255 -1.828 -2.121) 3.596 1.692 ( 5.828 -1.547 3.768) 7.111 1.736 ( 2.280 -0.235 -2.928) 3.719 1.869 ( -2.179 -1.802 2.738) 3.936 2.026 ( -2.367 -0.853 -2.729) 3.712 2.071 ( 0.851 0.182 -2.298) 2.457 2.122 ( -1.307 2.556 -2.970) 4.131 2.225 ( -2.228 0.191 0.114) 2.239 2.262 ( -2.195 -1.876 -0.219) 2.896 2.372 ( 0.427 1.200 -1.530) 1.991 2.487 ( -0.101 -1.747 -0.495) 1.818 2.516 ( -2.147 -0.941 3.793) 4.459 2.553 ( 2.396 -3.958 -2.046) 5.058 2.597 ( -0.101 -0.463 -6.417) 6.434 2.661 ( 2.816 -0.825 -0.877) 3.063 2.696 ( 1.045 -0.493 0.278) 1.188 2.877 ( 0.680 3.042 -0.056) 3.118 3.014 ( 0.686 1.392 -2.921) 3.308 3.123 ( 0.854 0.187 1.774) 1.977 3.269 ( -1.049 -1.713 -2.288) 3.044 3.347 ( 2.116 -2.357 0.983) 3.317 3.413 ( -2.286 -1.981 0.099) 3.027 3.424 ( 1.849 1.614 3.779) 4.506 3.541 ( -1.540 1.436 -1.203) 2.425 3.610 ( 1.263 -2.472 1.296) 3.064 3.756 ( -1.858 1.864 2.952) 3.955 3.798 ( 1.080 -1.811 0.869) 2.281 3.860 ( -1.028 0.039 -1.989) 2.240 4.075 ( -0.342 -2.143 1.187) 2.473 4.109 ( 0.809 -2.474 -0.435) 2.639 4.241 ( -0.975 -0.319 0.269) 1.060 4.283 ( -2.245 1.593 -0.103) 2.755 4.348 ( 0.350 1.534 0.095) 1.576 4.483 ( 0.015 0.254 -3.177) 3.187 4.924 ( 1.309 -0.260 -0.183) 1.347 4.997 ( -1.572 0.208 -0.152) 1.593 6.248 ( 0.676 0.070 0.306) 0.745 6.268 ( -0.173 -0.475 0.501) 0.712 8.327 ( 1.172 -0.861 0.625) 1.583 8.383 ( -0.277 -0.898 -0.342) 1.000 12.657 ( 0.371 -1.028 -0.651) 1.272 12.708 ( -2.044 -2.330 0.543) 3.147 12.732 ( -0.232 0.654 -0.983) 1.203 12.759 ( -1.357 -0.095 -0.656) 1.510 13.029 ( 2.510 3.550 -1.058) 4.475 13.072 ( -0.868 4.688 0.679) 4.816 13.152 ( 0.380 1.259 0.299) 1.349 13.194 ( -1.630 1.622 0.501) 2.353 13.748 ( -0.963 0.640 1.280) 1.725 13.785 ( 0.029 0.178 -0.873) 0.892 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.039 2.247 5.824) 7.435 0.764 ( 3.446 2.005 10.334) 11.076 0.829 ( 1.513 -0.414 -5.947) 6.150 0.970 ( -0.411 0.796 -5.439) 5.512 1.028 ( -2.372 0.173 1.084) 2.614 1.114 ( 0.759 -1.748 -3.226) 3.747 1.236 ( -3.112 0.554 0.254) 3.171 1.254 ( 3.764 -0.813 -0.465) 3.879 1.424 ( -1.859 -1.033 3.379) 3.993 1.489 ( 2.938 -3.083 -2.100) 4.749 1.594 ( -0.432 4.830 5.641) 7.438 1.690 ( -0.008 0.980 -2.973) 3.130 1.815 ( 2.629 0.222 5.158) 5.794 1.901 ( -0.145 1.134 -2.021) 2.322 1.959 ( -2.595 1.317 3.230) 4.348 2.036 ( 0.696 0.203 -1.518) 1.682 2.152 ( -1.245 1.766 1.590) 2.683 2.192 ( 0.156 1.741 -2.311) 2.897 2.275 ( 1.118 0.757 3.801) 4.033 2.362 ( -0.479 0.207 -2.699) 2.749 2.414 ( -1.983 -4.013 -1.326) 4.669 2.427 ( -1.749 -2.153 -2.832) 3.965 2.545 ( 1.926 -0.540 -0.885) 2.187 2.551 ( 1.094 0.085 -1.488) 1.849 2.651 ( -1.751 -2.814 0.871) 3.427 2.671 ( 1.626 -2.378 -0.964) 3.038 2.956 ( -0.731 3.481 2.106) 4.134 3.012 ( -0.620 1.983 -2.702) 3.408 3.161 ( 0.524 -0.374 1.539) 1.668 3.205 ( 0.497 -1.280 -2.535) 2.883 3.331 ( 0.229 -1.185 1.769) 2.142 3.364 ( 0.185 -1.346 -1.080) 1.736 3.474 ( 0.683 -1.309 1.269) 1.947 3.498 ( -1.167 -1.265 -1.512) 2.291 3.680 ( 3.979 1.945 2.478) 5.075 3.727 ( -4.322 1.134 -1.280) 4.649 3.820 ( 1.613 -1.637 1.726) 2.874 3.832 ( 0.130 -1.833 0.550) 1.918 4.067 ( 0.374 -0.128 -0.080) 0.403 4.068 ( -0.694 -0.056 -0.052) 0.698 4.236 ( 1.253 -0.985 0.761) 1.766 4.254 ( -1.031 -0.870 -1.020) 1.691 4.407 ( 0.041 1.667 1.515) 2.253 4.448 ( -0.800 0.243 -2.198) 2.351 4.941 ( 0.779 -0.556 0.490) 1.075 4.955 ( -0.925 -0.724 -0.974) 1.526 6.257 ( -0.301 -0.325 0.292) 0.531 6.260 ( 0.342 -0.239 0.075) 0.424 8.329 ( 0.409 -1.064 0.650) 1.312 8.346 ( -0.132 -1.443 -0.927) 1.720 12.632 ( -1.449 -1.021 1.319) 2.210 12.648 ( 0.664 -1.456 -0.190) 1.612 12.751 ( 0.004 0.617 -0.282) 0.678 12.754 ( 0.277 0.627 -0.629) 0.931 13.116 ( -2.935 3.881 1.245) 5.023 13.149 ( 2.824 4.171 -1.561) 5.273 13.175 ( -2.740 1.183 1.899) 3.537 13.221 ( 2.850 1.788 -2.128) 3.981 13.771 ( -0.235 1.191 0.971) 1.554 13.788 ( 0.362 0.638 -0.630) 0.967 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.169 1.119 5.163) 5.286 0.785 ( -1.239 2.209 -4.506) 5.168 0.867 ( 2.111 0.328 -6.297) 6.649 0.927 ( 3.754 0.100 4.583) 5.926 1.047 ( -0.819 -0.559 4.253) 4.367 1.100 ( 1.298 0.629 -3.131) 3.448 1.168 ( -3.566 -1.338 1.688) 4.166 1.324 ( 2.863 -2.384 -1.875) 4.171 1.416 ( -2.079 -1.609 2.868) 3.891 1.498 ( 2.266 -1.810 -4.031) 4.965 1.617 ( -1.437 1.407 0.199) 2.021 1.641 ( -3.475 2.545 0.002) 4.307 1.815 ( -1.693 2.173 -3.498) 4.452 1.900 ( 1.484 0.699 1.150) 2.003 2.003 ( 0.282 1.622 3.198) 3.597 2.047 ( 4.378 0.836 -1.082) 4.586 2.141 ( -1.401 1.842 -0.162) 2.320 2.206 ( 2.337 2.257 1.207) 3.466 2.301 ( -0.957 0.012 -2.905) 3.059 2.344 ( -0.346 0.382 0.636) 0.819 2.406 ( 1.443 -0.554 6.511) 6.692 2.417 ( -0.238 -4.054 0.745) 4.128 2.537 ( 0.764 -0.509 -2.730) 2.880 2.571 ( 2.495 -0.628 -2.000) 3.259 2.610 ( -4.175 -2.799 1.058) 5.136 2.682 ( 0.653 -2.049 -0.742) 2.275 2.935 ( -3.084 2.839 0.856) 4.279 2.998 ( -0.031 2.111 0.974) 2.325 3.176 ( -0.366 -0.093 -1.012) 1.080 3.194 ( 1.492 -0.842 0.031) 1.713 3.325 ( -1.645 -0.771 -0.788) 1.981 3.378 ( 2.003 -1.787 -0.037) 2.684 3.475 ( 0.122 -1.792 -0.312) 1.823 3.514 ( 1.873 -1.531 0.897) 2.580 3.638 ( -3.621 1.854 -2.003) 4.534 3.758 ( 0.124 -0.538 1.887) 1.967 3.814 ( 1.772 -0.361 -0.922) 2.030 3.863 ( 1.329 -0.279 -1.172) 1.794 4.055 ( -0.720 -0.858 0.687) 1.314 4.071 ( -0.247 -0.461 -0.416) 0.668 4.238 ( 0.809 -0.657 -0.504) 1.158 4.281 ( 2.661 -0.912 0.352) 2.834 4.401 ( -1.884 1.487 -0.296) 2.418 4.431 ( -0.344 0.477 1.497) 1.609 4.921 ( -1.383 0.076 -0.140) 1.393 4.976 ( 1.779 -1.375 0.401) 2.284 6.249 ( -0.747 -0.127 0.041) 0.759 6.265 ( 0.196 -0.481 -0.120) 0.533 8.322 ( -1.003 -0.878 -0.451) 1.407 8.349 ( 0.551 -1.692 0.079) 1.781 12.627 ( -0.595 -0.361 1.059) 1.267 12.667 ( 1.494 -2.007 0.032) 2.502 12.745 ( -0.134 0.882 -0.118) 0.900 12.760 ( 0.675 0.228 -0.276) 0.765 13.076 ( -3.494 3.933 1.535) 5.480 13.153 ( -2.179 0.746 1.622) 2.817 13.185 ( 3.191 4.646 -1.317) 5.788 13.256 ( 3.817 2.069 -1.792) 4.697 13.778 ( 0.025 0.957 0.561) 1.109 13.788 ( 0.637 0.692 -0.786) 1.225 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -1.502 3.544 -6.952) 7.947 0.836 ( 3.697 1.627 3.466) 5.323 0.887 ( 5.455 -0.291 -2.278) 5.918 1.027 ( 0.081 1.942 5.096) 5.454 1.036 ( 0.999 -1.162 -2.227) 2.703 1.116 ( -0.411 0.887 2.881) 3.042 1.166 ( -0.556 -2.318 2.339) 3.340 1.278 ( -4.786 -3.063 -1.131) 5.794 1.414 ( -1.780 -0.729 -0.372) 1.959 1.475 ( 2.508 -0.041 -5.952) 6.459 1.546 ( -4.563 1.242 -1.579) 4.986 1.613 ( -0.296 -1.475 0.225) 1.522 1.797 ( 1.990 4.659 -1.294) 5.229 1.910 ( 0.500 0.697 -0.973) 1.297 2.034 ( 1.950 1.065 -0.643) 2.313 2.118 ( 2.452 2.703 -0.817) 3.740 2.142 ( 2.470 -0.191 1.600) 2.949 2.245 ( -0.543 -0.867 -0.402) 1.099 2.272 ( 0.911 -0.008 1.222) 1.524 2.341 ( -1.231 2.372 1.393) 3.014 2.403 ( -2.711 -3.670 1.605) 4.836 2.504 ( 0.213 -1.344 -3.586) 3.836 2.533 ( 0.375 -0.514 6.470) 6.501 2.550 ( -1.907 -0.420 1.624) 2.539 2.604 ( 3.126 -0.163 -0.875) 3.251 2.674 ( -0.114 -1.647 -1.267) 2.081 2.918 ( -0.514 3.368 1.671) 3.795 3.012 ( -0.622 1.633 2.186) 2.798 3.162 ( 0.638 1.234 -1.255) 1.872 3.224 ( 1.193 -2.048 0.398) 2.403 3.285 ( -1.947 -0.789 -0.415) 2.141 3.393 ( 0.746 -2.852 -1.443) 3.282 3.474 ( 0.986 -0.028 -1.632) 1.906 3.547 ( -0.596 -0.182 0.592) 0.859 3.591 ( 0.500 0.439 0.138) 0.680 3.721 ( -2.169 -3.294 -2.326) 4.579 3.845 ( 0.854 1.358 -2.983) 3.387 3.882 ( 2.688 1.148 2.487) 3.838 4.038 ( -1.685 -2.002 -1.837) 3.197 4.066 ( 0.119 -1.515 1.210) 1.942 4.262 ( 1.868 -0.012 0.045) 1.868 4.322 ( 2.210 -0.708 0.042) 2.321 4.374 ( -1.339 1.890 0.335) 2.340 4.440 ( -1.364 -0.506 2.299) 2.721 4.907 ( -0.606 0.643 0.466) 0.999 5.005 ( 1.225 -1.663 0.076) 2.067 6.236 ( -0.856 0.048 0.015) 0.858 6.263 ( -0.056 -0.679 -0.427) 0.804 8.302 ( -0.779 -0.494 -0.205) 0.945 8.355 ( 0.128 -2.056 0.037) 2.060 12.637 ( 0.356 -0.206 0.978) 1.061 12.689 ( 1.142 -2.311 -0.123) 2.581 12.746 ( 0.093 1.034 0.216) 1.060 12.765 ( 0.107 -0.271 -0.230) 0.372 13.049 ( -2.283 4.447 2.391) 5.541 13.143 ( -1.514 0.748 2.045) 2.652 13.217 ( 3.020 5.051 -2.043) 6.230 13.294 ( 3.162 2.536 -1.987) 4.514 13.784 ( 0.525 0.524 -0.234) 0.778 13.791 ( 0.581 0.433 -0.532) 0.899 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 2.968 2.864 -0.783) 4.198 0.909 ( 3.179 -0.509 -0.610) 3.277 0.957 ( 3.256 1.345 0.037) 3.523 1.036 ( 1.234 -1.035 0.444) 1.671 1.074 ( 0.012 0.636 1.732) 1.845 1.116 ( -0.724 -0.007 -1.677) 1.826 1.153 ( -2.919 -1.669 -0.134) 3.365 1.228 ( -2.041 -1.666 4.419) 5.145 1.373 ( -2.307 0.777 0.874) 2.586 1.455 ( 1.648 0.128 -4.971) 5.239 1.483 ( -1.487 1.457 -0.072) 2.083 1.596 ( -1.848 -0.768 -0.763) 2.142 1.838 ( 4.559 4.481 -0.795) 6.442 1.906 ( 0.595 0.939 -1.176) 1.619 2.044 ( 0.949 1.055 -2.481) 2.858 2.135 ( 1.312 2.181 0.184) 2.552 2.192 ( 1.142 2.151 -0.275) 2.451 2.230 ( -0.034 -2.829 0.904) 2.970 2.298 ( -3.497 -1.281 3.046) 4.811 2.333 ( -1.198 0.442 0.734) 1.473 2.385 ( 2.079 -4.442 -2.150) 5.355 2.436 ( -2.776 -1.297 -1.882) 3.596 2.549 ( -1.052 1.085 3.186) 3.526 2.604 ( 0.181 1.474 3.444) 3.751 2.653 ( 1.845 0.722 -1.844) 2.707 2.672 ( 1.970 -0.981 1.148) 2.482 2.942 ( 0.021 3.995 2.151) 4.538 3.023 ( -0.819 1.633 1.560) 2.403 3.170 ( 2.527 0.360 -1.502) 2.961 3.230 ( -0.366 -2.394 0.242) 2.434 3.269 ( -0.981 0.179 1.326) 1.659 3.377 ( 0.088 -0.883 -2.403) 2.561 3.479 ( 1.294 1.039 -0.476) 1.726 3.528 ( -0.251 -1.905 -0.631) 2.023 3.618 ( 0.694 0.365 0.570) 0.970 3.657 ( -1.392 -4.046 -3.624) 5.608 3.825 ( -0.277 1.467 -0.959) 1.775 3.952 ( 2.557 -0.413 1.544) 3.015 3.987 ( -1.657 -1.309 -1.698) 2.710 4.081 ( 0.092 -0.747 0.941) 1.205 4.288 ( 1.197 -0.234 0.203) 1.236 4.351 ( 0.934 -0.418 -0.036) 1.023 4.367 ( 0.015 0.617 0.865) 1.063 4.438 ( -1.814 -1.205 1.958) 2.928 4.909 ( -0.152 0.551 0.967) 1.124 5.013 ( 0.294 -1.794 -0.890) 2.024 6.225 ( -0.654 0.232 0.176) 0.716 6.255 ( -0.180 -0.575 -0.657) 0.891 8.296 ( -0.189 -0.331 0.533) 0.655 8.354 ( -0.080 -2.075 -0.244) 2.090 12.657 ( 0.640 -0.354 1.057) 1.285 12.699 ( 0.594 -1.897 -0.443) 2.037 12.748 ( -0.135 0.667 -0.017) 0.680 12.759 ( -0.408 -0.135 -0.053) 0.433 13.058 ( -0.975 4.552 3.641) 5.910 13.150 ( -0.941 1.153 2.827) 3.195 13.233 ( 2.512 5.226 -3.251) 6.647 13.308 ( 1.831 2.918 -2.724) 4.391 13.790 ( 0.915 0.137 -0.825) 1.239 13.793 ( 0.213 0.099 -0.231) 0.329 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 5.931 -0.199 4.491) 7.442 0.912 ( -1.703 -1.702 -1.248) 2.711 0.983 ( 0.551 2.648 -0.400) 2.734 1.010 ( -2.663 -0.276 -1.165) 2.920 1.081 ( 2.085 -0.063 -2.254) 3.071 1.108 ( -3.256 0.201 0.675) 3.331 1.160 ( 5.001 -0.634 3.021) 5.877 1.252 ( -0.474 -3.074 1.650) 3.520 1.345 ( -3.591 1.117 2.136) 4.325 1.422 ( 1.337 0.252 -4.760) 4.951 1.489 ( 0.698 2.172 1.005) 2.493 1.548 ( -1.992 1.826 -1.336) 3.014 1.890 ( -0.120 -0.170 1.530) 1.544 1.946 ( 5.369 3.350 1.246) 6.450 2.008 ( -0.074 1.010 -3.281) 3.434 2.156 ( -0.718 1.598 -1.746) 2.473 2.205 ( -1.399 3.312 -0.778) 3.679 2.215 ( 0.641 -0.653 -0.939) 1.311 2.255 ( -3.281 -1.407 2.384) 4.292 2.288 ( -1.994 -4.024 -1.205) 4.650 2.389 ( -1.458 -1.363 2.377) 3.104 2.446 ( 4.801 -1.898 -2.631) 5.794 2.564 ( -2.238 1.016 3.957) 4.659 2.631 ( 1.198 1.754 -0.538) 2.191 2.651 ( -1.552 0.235 2.315) 2.797 2.716 ( 3.005 2.000 -1.389) 3.868 2.953 ( -1.068 2.463 1.918) 3.299 3.013 ( -1.084 1.139 -0.355) 1.612 3.212 ( 3.285 0.421 -0.328) 3.328 3.239 ( -0.085 1.511 1.792) 2.345 3.262 ( -1.334 -1.343 0.882) 2.088 3.348 ( 0.407 -0.264 -3.268) 3.303 3.498 ( -0.039 1.683 1.622) 2.338 3.539 ( 1.908 -3.109 -0.020) 3.648 3.599 ( 0.535 -2.684 -4.597) 5.350 3.613 ( -2.022 -0.781 -0.388) 2.201 3.825 ( 0.381 0.598 1.311) 1.490 3.928 ( -1.084 -2.658 -3.204) 4.301 4.017 ( 1.462 0.925 2.589) 3.113 4.086 ( -0.216 0.141 -0.188) 0.320 4.306 ( 0.418 -0.561 0.794) 1.058 4.348 ( -0.254 0.189 -0.704) 0.772 4.393 ( 1.212 -1.499 1.238) 2.291 4.426 ( -1.728 -1.622 1.117) 2.621 4.923 ( 0.126 -0.134 1.648) 1.658 4.995 ( -0.407 -1.848 -1.918) 2.695 6.221 ( -0.201 0.362 0.460) 0.619 6.244 ( -0.127 -0.188 -0.803) 0.834 8.307 ( 0.310 -0.500 1.131) 1.275 8.347 ( -0.182 -1.676 -0.713) 1.830 12.674 ( -0.188 -0.655 1.158) 1.343 12.700 ( 0.220 -1.471 -0.557) 1.588 12.745 ( 0.179 0.310 -0.110) 0.374 12.753 ( -0.281 0.269 -0.112) 0.405 13.090 ( -0.911 4.562 4.509) 6.479 13.175 ( -0.570 1.804 3.593) 4.061 13.225 ( 1.845 4.929 -4.315) 6.806 13.293 ( 0.613 2.996 -3.419) 4.588 13.791 ( -0.199 0.011 -0.173) 0.264 13.794 ( 0.747 -0.108 -0.777) 1.083 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -5.657 -0.429 -3.596) 6.717 0.860 ( 2.843 -2.631 3.757) 5.396 0.953 ( -2.543 2.604 1.486) 3.931 1.013 ( 2.880 1.340 -0.680) 3.248 1.066 ( -2.216 0.046 -0.078) 2.218 1.104 ( 1.726 0.681 -0.034) 1.856 1.219 ( -2.820 -0.300 -1.460) 3.189 1.258 ( 2.780 -2.634 -0.490) 3.861 1.332 ( -0.871 0.597 3.582) 3.734 1.416 ( 4.280 -0.700 -3.121) 5.343 1.507 ( -0.830 3.178 0.241) 3.293 1.520 ( 0.935 2.538 -0.421) 2.737 1.901 ( -2.817 -0.086 3.469) 4.470 1.954 ( 0.341 -1.248 -1.519) 1.995 2.006 ( -8.662 3.910 -4.235) 10.405 2.092 ( 4.909 1.202 3.271) 6.020 2.182 ( -2.327 2.268 1.337) 3.514 2.212 ( -0.015 1.819 -1.177) 2.167 2.270 ( 1.370 -2.720 0.795) 3.148 2.296 ( 4.094 -3.277 -0.706) 5.292 2.385 ( -2.864 -1.224 2.390) 3.926 2.473 ( 3.180 -0.866 -4.391) 5.491 2.568 ( -2.259 0.132 3.814) 4.434 2.633 ( -0.166 -0.526 -1.241) 1.358 2.649 ( -1.860 3.055 2.585) 4.413 2.738 ( 2.618 2.123 -3.056) 4.550 2.965 ( -0.923 0.910 3.020) 3.286 2.996 ( 0.451 0.936 -0.890) 1.368 3.207 ( -3.138 1.534 0.288) 3.505 3.266 ( 2.007 1.988 -1.048) 3.013 3.283 ( 1.279 0.967 2.363) 2.856 3.320 ( 0.990 -2.577 -3.486) 4.446 3.517 ( -0.124 0.139 2.464) 2.471 3.541 ( -0.747 -2.466 -1.251) 2.864 3.556 ( -2.981 -0.160 -1.908) 3.543 3.604 ( 2.978 -2.065 -0.359) 3.642 3.863 ( 0.912 -1.115 2.002) 2.466 3.878 ( -0.225 -1.277 -2.641) 2.943 4.058 ( -0.166 0.895 1.139) 1.458 4.066 ( -0.349 0.329 -0.814) 0.945 4.316 ( -0.995 -0.227 0.882) 1.349 4.336 ( 0.465 -0.640 -0.675) 1.040 4.407 ( -1.504 -1.550 0.255) 2.174 4.429 ( 1.553 -1.917 0.850) 2.609 4.946 ( -0.436 -0.867 1.636) 1.903 4.968 ( 0.368 -1.519 -1.501) 2.167 6.228 ( 0.170 0.242 0.627) 0.694 6.235 ( 0.163 0.198 -0.754) 0.796 8.326 ( 0.231 -0.928 0.915) 1.324 8.333 ( 0.006 -1.047 -0.971) 1.428 12.677 ( -1.138 -1.038 1.460) 2.122 12.693 ( -0.428 -1.363 -0.529) 1.524 12.747 ( 0.103 0.483 -0.263) 0.560 12.754 ( 0.829 0.235 -0.203) 0.885 13.122 ( -1.513 4.853 4.662) 6.897 13.192 ( 0.879 4.711 -3.320) 5.830 13.215 ( -0.270 1.964 2.435) 3.140 13.257 ( -0.081 2.778 -3.626) 4.568 13.783 ( -0.730 0.198 0.139) 0.769 13.797 ( 0.459 -0.255 -0.597) 0.795 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -6.355 1.864 -4.312) 7.902 0.877 ( -4.617 1.162 2.285) 5.281 0.943 ( -1.438 0.212 1.187) 1.876 1.033 ( -0.185 0.188 0.165) 0.311 1.068 ( 2.296 0.896 0.266) 2.479 1.131 ( 0.679 2.187 -0.580) 2.362 1.163 ( 0.385 1.546 -1.339) 2.081 1.281 ( 1.852 -3.277 -0.582) 3.809 1.364 ( -0.677 0.920 2.570) 2.812 1.434 ( 0.667 -0.164 -3.228) 3.301 1.490 ( -0.224 1.681 -0.829) 1.888 1.565 ( 3.304 0.155 1.892) 3.811 1.824 ( -8.827 5.883 0.400) 10.615 1.879 ( -2.176 0.618 0.975) 2.463 1.983 ( 0.621 -0.274 1.603) 1.741 2.129 ( -1.054 -0.519 0.688) 1.361 2.178 ( 0.003 1.469 1.619) 2.186 2.246 ( 0.804 -0.877 0.851) 1.463 2.305 ( 1.649 -1.007 2.126) 2.873 2.339 ( -0.952 -0.791 0.444) 1.315 2.363 ( 2.807 -4.652 -2.114) 5.830 2.466 ( 2.583 -0.301 -4.044) 4.808 2.582 ( -1.154 -0.053 2.284) 2.560 2.600 ( -3.307 1.224 2.330) 4.226 2.643 ( 0.472 1.104 -2.238) 2.540 2.733 ( 1.135 0.901 -3.112) 3.433 2.977 ( 0.312 1.911 0.127) 1.940 3.017 ( 0.757 0.868 1.576) 1.952 3.153 ( -2.780 0.823 -0.672) 2.976 3.267 ( 0.604 0.460 -1.942) 2.085 3.300 ( 0.268 -0.817 -0.974) 1.300 3.335 ( 1.881 0.416 0.529) 1.998 3.486 ( -3.030 -0.308 -1.113) 3.243 3.524 ( 0.311 -1.371 -0.404) 1.463 3.562 ( 1.243 -1.344 3.494) 3.944 3.637 ( 0.879 -1.619 0.023) 1.843 3.835 ( -0.602 -0.205 -2.032) 2.130 3.916 ( 0.654 -3.260 2.633) 4.241 4.019 ( -0.913 1.722 -2.491) 3.163 4.080 ( -0.336 0.176 1.063) 1.128 4.294 ( -1.529 -0.125 -0.293) 1.562 4.344 ( -0.317 -1.039 0.558) 1.221 4.384 ( -0.797 -0.246 -0.527) 0.987 4.461 ( 1.756 -1.783 -0.029) 2.503 4.931 ( -0.512 -0.505 -0.924) 1.171 4.989 ( 0.772 -1.403 1.276) 2.048 6.231 ( 0.417 0.285 -0.418) 0.655 6.241 ( 0.358 -0.098 0.564) 0.675 8.314 ( -0.204 -0.456 -1.115) 1.222 8.346 ( 0.495 -1.443 0.573) 1.629 12.672 ( -1.449 -1.403 0.620) 2.110 12.676 ( -1.022 -1.567 0.621) 1.971 12.750 ( 0.522 0.564 -0.255) 0.809 12.764 ( 0.699 0.291 -0.367) 0.842 13.133 ( -1.114 5.177 0.345) 5.307 13.168 ( 0.258 4.587 -1.082) 4.720 13.216 ( -0.162 2.391 -2.972) 3.818 13.240 ( -1.257 1.841 3.493) 4.143 13.773 ( -0.939 0.480 0.512) 1.173 13.796 ( 0.120 -0.256 -0.374) 0.469 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -2.960 6.150 0.977) 6.895 0.801 ( -6.666 4.136 2.097) 8.121 0.932 ( -1.476 -0.769 0.681) 1.798 1.011 ( -0.892 1.287 -2.654) 3.082 1.114 ( 1.372 0.954 -0.297) 1.697 1.124 ( 1.574 0.948 -0.062) 1.838 1.183 ( 0.625 -0.057 0.067) 0.631 1.300 ( 0.425 -1.460 0.059) 1.522 1.347 ( -3.077 3.575 2.431) 5.306 1.422 ( 1.842 -1.497 -0.412) 2.409 1.501 ( 0.739 0.336 1.979) 2.139 1.620 ( 1.802 -2.279 -0.629) 2.973 1.750 ( -3.525 6.011 4.066) 8.067 1.862 ( -1.740 1.407 1.775) 2.856 2.001 ( -0.217 -0.997 1.472) 1.791 2.118 ( -1.294 0.493 -0.377) 1.435 2.184 ( -1.651 0.091 -1.684) 2.360 2.235 ( 0.277 -3.427 1.460) 3.735 2.287 ( -2.725 -0.624 -0.468) 2.834 2.371 ( 1.214 -0.944 0.225) 1.554 2.414 ( 4.563 -2.248 -0.222) 5.091 2.474 ( 2.206 -0.474 -2.187) 3.142 2.545 ( -3.537 1.963 1.191) 4.217 2.615 ( 0.792 -0.458 0.646) 1.120 2.631 ( 1.191 -0.913 -1.252) 1.954 2.695 ( -0.845 -0.868 -4.740) 4.892 2.967 ( -0.071 3.716 -2.510) 4.485 3.039 ( 0.464 1.015 0.605) 1.270 3.124 ( -0.853 0.961 1.205) 1.761 3.254 ( 0.533 -3.017 -2.314) 3.839 3.294 ( 0.672 -0.031 -0.858) 1.091 3.359 ( -0.139 -1.109 1.238) 1.668 3.444 ( -1.509 0.729 0.597) 1.778 3.543 ( 1.931 -0.320 0.415) 2.000 3.606 ( -0.574 1.027 0.065) 1.178 3.660 ( 2.283 -4.124 2.677) 5.421 3.804 ( -2.004 0.543 0.303) 2.098 3.915 ( -2.929 -2.500 0.032) 3.851 4.010 ( 1.998 0.334 -0.092) 2.028 4.081 ( -0.230 -0.449 0.162) 0.530 4.264 ( -1.967 -0.212 -0.210) 1.989 4.325 ( -1.979 -1.166 -0.127) 2.300 4.380 ( 0.515 1.975 -0.184) 2.050 4.481 ( 1.408 -1.474 -1.174) 2.352 4.919 ( 0.148 0.227 -0.641) 0.696 5.003 ( -0.144 -1.356 0.220) 1.381 6.237 ( 0.684 0.163 -0.107) 0.711 6.251 ( 0.135 -0.463 0.574) 0.750 8.305 ( 0.251 -0.227 -0.480) 0.587 8.356 ( 0.337 -1.772 0.036) 1.804 12.650 ( -1.109 -1.029 -0.243) 1.532 12.671 ( -1.571 -2.508 1.508) 3.322 12.754 ( 0.328 0.760 -0.406) 0.922 12.767 ( 0.333 0.150 -0.479) 0.602 13.111 ( 1.028 5.055 -2.947) 5.941 13.169 ( -1.335 4.555 1.909) 5.116 13.189 ( 0.191 1.979 -1.931) 2.772 13.246 ( -2.063 1.787 2.330) 3.589 13.766 ( -0.828 0.803 0.850) 1.433 13.793 ( -0.006 -0.056 -0.299) 0.304 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 1.560 5.502 8.267) 10.052 0.730 ( -5.853 3.731 3.622) 7.829 0.887 ( -0.457 -0.515 -5.486) 5.529 0.989 ( -1.464 1.501 2.030) 2.918 1.084 ( 0.019 1.653 -4.913) 5.183 1.142 ( 0.285 -1.921 -1.972) 2.768 1.192 ( 0.830 -0.516 0.951) 1.364 1.293 ( -3.001 0.505 2.301) 3.815 1.377 ( 1.889 2.649 3.372) 4.685 1.464 ( 2.277 -3.501 -0.404) 4.196 1.548 ( -0.108 2.490 4.459) 5.109 1.647 ( 3.511 -3.106 1.187) 4.836 1.762 ( -0.839 3.927 2.694) 4.836 1.870 ( -0.367 1.944 3.152) 3.721 2.017 ( 0.589 -0.143 0.112) 0.616 2.047 ( -4.691 -2.209 -1.515) 5.402 2.158 ( 0.542 0.815 -1.184) 1.536 2.226 ( -2.095 -1.034 -1.068) 2.569 2.262 ( -1.331 1.482 1.278) 2.367 2.372 ( 0.629 0.143 -1.253) 1.409 2.454 ( 0.352 -4.737 -2.750) 5.489 2.485 ( 0.838 0.232 0.149) 0.883 2.522 ( -1.055 1.547 1.853) 2.635 2.586 ( -0.964 -0.702 -7.024) 7.124 2.639 ( 2.237 -1.433 -0.742) 2.758 2.661 ( 0.186 -2.875 0.693) 2.963 2.946 ( 0.464 3.942 -0.919) 4.075 3.041 ( 0.440 1.220 -1.738) 2.169 3.138 ( -0.003 1.138 1.795) 2.126 3.229 ( -0.186 -2.460 -2.430) 3.463 3.306 ( 1.031 -1.609 0.480) 1.970 3.367 ( -0.428 -2.465 1.134) 2.747 3.449 ( 0.086 0.714 1.716) 1.860 3.555 ( -1.972 -0.011 -2.674) 3.322 3.599 ( 2.875 1.209 1.437) 3.434 3.743 ( 3.434 -3.115 2.596) 5.314 3.784 ( -2.739 0.967 2.336) 3.727 3.855 ( -3.166 -0.971 -0.497) 3.348 4.052 ( 1.528 -0.490 1.202) 2.005 4.075 ( 0.075 -1.308 -1.000) 1.648 4.232 ( -1.444 -0.150 0.107) 1.456 4.289 ( -1.997 -0.637 -0.461) 2.146 4.390 ( 0.596 2.342 0.432) 2.455 4.477 ( 0.340 -0.842 -2.094) 2.282 4.922 ( 0.857 0.193 -0.214) 0.904 4.988 ( -1.240 -1.110 -0.765) 1.832 6.249 ( 0.662 -0.008 0.089) 0.668 6.257 ( -0.109 -0.545 0.525) 0.765 8.313 ( 0.744 -0.539 0.300) 0.967 8.356 ( 0.038 -1.756 -0.497) 1.826 12.636 ( -0.563 -1.043 0.253) 1.211 12.657 ( -1.730 -2.272 0.902) 2.995 12.752 ( 0.262 0.883 -0.665) 1.136 12.763 ( -0.155 0.302 -0.531) 0.630 13.112 ( 2.310 4.669 -1.793) 5.509 13.157 ( -2.095 4.019 0.973) 4.636 13.182 ( 0.397 1.763 -0.280) 1.828 13.227 ( -1.773 1.606 0.276) 2.408 13.765 ( -0.528 1.102 1.029) 1.597 13.790 ( 0.112 0.316 -0.385) 0.511 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -1.103 2.093 1.890) 3.028 0.773 ( 2.265 -0.849 1.053) 2.638 0.877 ( 1.008 4.754 -0.945) 4.951 0.960 ( 0.317 -2.659 -5.760) 6.352 1.036 ( -2.230 0.439 0.172) 2.279 1.057 ( -0.890 -2.603 -0.246) 2.762 1.252 ( -0.163 1.585 -0.875) 1.818 1.269 ( 1.942 0.868 -2.231) 3.082 1.392 ( -2.243 -1.265 1.565) 3.013 1.418 ( 1.865 -3.567 -0.578) 4.066 1.665 ( 1.307 2.705 4.661) 5.545 1.697 ( 1.516 -0.619 2.462) 2.957 1.846 ( -0.361 2.646 1.761) 3.198 1.892 ( -1.886 -1.895 -2.145) 3.428 1.997 ( -0.498 2.415 4.730) 5.334 2.035 ( -0.126 -1.028 1.906) 2.169 2.177 ( 0.092 1.876 0.441) 1.929 2.213 ( 3.040 -0.715 -3.233) 4.495 2.293 ( -1.321 1.618 3.805) 4.341 2.340 ( -0.328 -3.283 0.278) 3.311 2.372 ( -0.469 1.322 -2.921) 3.240 2.401 ( -2.160 -1.272 -4.653) 5.285 2.559 ( -1.190 1.476 -0.433) 1.944 2.568 ( 2.280 1.889 -1.111) 3.162 2.597 ( -2.498 -2.608 0.572) 3.656 2.617 ( 2.371 -3.032 -1.366) 4.084 3.016 ( -1.518 2.424 1.497) 3.228 3.036 ( -1.325 0.325 -0.233) 1.384 3.159 ( 0.586 0.406 0.002) 0.713 3.180 ( 1.500 -1.478 -1.798) 2.769 3.323 ( 0.769 0.438 1.253) 1.534 3.340 ( 0.636 -1.129 -0.209) 1.312 3.460 ( 0.117 0.062 -0.320) 0.346 3.474 ( -1.142 -1.221 -1.850) 2.493 3.725 ( 3.409 2.539 1.926) 4.666 3.748 ( -2.995 0.903 0.169) 3.133 3.785 ( 2.256 -1.770 1.501) 3.237 3.793 ( -1.690 -2.006 0.815) 2.747 4.070 ( 0.785 0.456 0.268) 0.946 4.075 ( 0.346 0.116 0.044) 0.367 4.223 ( 0.220 -0.118 -0.036) 0.252 4.234 ( -0.933 -1.093 -0.980) 1.739 4.431 ( -0.230 0.963 0.343) 1.048 4.445 ( -0.450 -0.463 -0.888) 1.098 4.936 ( 0.183 0.043 0.102) 0.214 4.942 ( -0.554 -0.594 -0.521) 0.965 6.253 ( -0.116 -0.059 0.220) 0.256 6.255 ( 0.223 -0.220 0.052) 0.317 8.316 ( 0.210 -0.221 0.112) 0.324 8.323 ( 0.022 -0.890 -0.473) 1.008 12.620 ( -0.547 -0.182 0.870) 1.044 12.626 ( 0.136 -0.808 0.309) 0.876 12.758 ( -0.001 0.222 -0.337) 0.403 12.760 ( 0.150 0.051 -0.508) 0.532 13.172 ( -3.064 1.898 1.282) 3.825 13.187 ( -2.395 0.174 0.980) 2.594 13.219 ( 2.334 2.590 -0.977) 3.621 13.242 ( 2.943 0.153 -1.943) 3.530 13.791 ( -0.009 0.790 0.495) 0.932 13.797 ( 0.203 0.163 -0.057) 0.266 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 2.305 2.798 0.272) 3.635 0.815 ( 3.548 -0.644 -1.339) 3.847 0.879 ( -0.142 2.104 -6.469) 6.804 0.922 ( 1.359 -1.119 4.045) 4.411 1.037 ( -0.403 0.148 2.426) 2.463 1.073 ( 1.372 -2.923 1.726) 3.662 1.194 ( -3.607 3.762 -0.183) 5.215 1.270 ( -1.398 -3.667 -1.145) 4.088 1.405 ( 1.735 1.024 1.028) 2.262 1.449 ( 2.832 -3.015 -1.527) 4.409 1.641 ( -4.382 1.245 -1.328) 4.745 1.660 ( -5.268 -0.430 -1.704) 5.553 1.865 ( 0.729 2.672 -0.245) 2.781 1.901 ( 1.584 -0.917 1.781) 2.554 2.040 ( 0.590 1.893 2.156) 2.929 2.059 ( 2.436 0.062 -0.419) 2.473 2.171 ( 0.216 1.768 -1.140) 2.115 2.211 ( 2.142 -1.812 -3.348) 4.369 2.308 ( -1.327 1.039 1.310) 2.134 2.341 ( -0.712 -2.516 0.772) 2.726 2.382 ( 2.347 2.303 0.882) 3.404 2.410 ( 3.922 -0.114 3.348) 5.158 2.525 ( -1.490 -0.148 -1.054) 1.831 2.553 ( -3.558 -2.807 1.377) 4.736 2.590 ( 1.527 2.064 -1.028) 2.766 2.635 ( 1.273 -2.599 -0.996) 3.060 2.989 ( -3.207 2.506 1.759) 4.434 3.018 ( -1.930 -0.299 1.884) 2.714 3.173 ( 1.325 0.437 -0.583) 1.512 3.188 ( 2.073 -0.591 -1.932) 2.895 3.324 ( -0.944 0.575 -1.365) 1.757 3.344 ( 0.445 -1.555 -0.764) 1.789 3.456 ( 0.306 0.272 0.417) 0.585 3.481 ( 1.458 -1.891 1.292) 2.715 3.684 ( -3.130 2.623 -1.463) 4.338 3.730 ( -2.862 -2.154 -0.524) 3.620 3.823 ( 4.075 1.084 0.509) 4.247 3.847 ( 3.071 -1.277 -0.215) 3.333 4.052 ( -1.762 0.432 -0.618) 1.916 4.063 ( -1.474 -0.590 -0.995) 1.874 4.236 ( 1.846 0.573 0.292) 1.954 4.257 ( 2.624 -1.430 0.654) 3.059 4.422 ( -1.414 0.799 0.311) 1.654 4.432 ( -0.870 -0.287 0.759) 1.190 4.929 ( -0.412 0.812 0.133) 0.920 4.950 ( 0.783 -1.349 0.438) 1.620 6.249 ( -0.465 0.159 -0.008) 0.492 6.255 ( -0.089 -0.455 -0.162) 0.491 8.312 ( -0.537 -0.068 -0.253) 0.597 8.321 ( 0.019 -1.074 -0.060) 1.076 12.624 ( 0.141 0.165 0.507) 0.552 12.636 ( 0.821 -1.172 0.064) 1.433 12.757 ( 0.116 0.406 -0.054) 0.426 12.761 ( 0.317 -0.106 -0.138) 0.362 13.137 ( -3.151 2.298 1.884) 4.331 13.160 ( -2.646 -0.243 1.869) 3.248 13.257 ( 3.724 2.709 -1.556) 4.861 13.281 ( 4.104 0.209 -1.887) 4.521 13.794 ( 0.035 0.635 0.055) 0.639 13.798 ( 0.260 0.243 -0.387) 0.526 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -0.674 5.938 -4.540) 7.505 0.850 ( 3.155 -2.995 -3.783) 5.765 0.900 ( 3.768 3.233 3.774) 6.236 0.976 ( 1.745 -4.442 0.694) 4.823 1.062 ( -0.756 2.150 4.055) 4.652 1.112 ( -0.454 -2.970 2.817) 4.118 1.155 ( -2.566 3.126 1.463) 4.301 1.219 ( -3.988 -3.349 0.811) 5.270 1.421 ( 0.431 1.484 -1.928) 2.471 1.457 ( 1.607 -1.776 -3.421) 4.176 1.558 ( -3.137 0.742 -1.674) 3.632 1.583 ( -1.015 -1.723 -0.833) 2.167 1.884 ( 1.623 3.880 0.543) 4.240 1.924 ( 0.982 -0.176 0.139) 1.007 2.066 ( 1.513 2.164 -0.964) 2.811 2.106 ( 3.871 -1.958 -1.153) 4.489 2.164 ( 0.811 1.783 -1.333) 2.369 2.208 ( 0.888 -2.785 -1.884) 3.478 2.302 ( -0.375 2.108 0.147) 2.147 2.341 ( -1.082 -2.460 1.039) 2.882 2.402 ( -1.803 3.617 0.743) 4.109 2.463 ( -2.526 -2.692 -0.720) 3.761 2.534 ( 1.520 0.574 4.705) 4.978 2.550 ( 0.714 -0.624 3.482) 3.609 2.608 ( 2.399 1.027 -0.491) 2.656 2.638 ( 1.045 -1.845 -1.316) 2.496 2.980 ( -0.795 3.032 2.826) 4.220 3.021 ( -0.955 -0.931 2.891) 3.184 3.179 ( 0.668 0.690 -1.274) 1.596 3.197 ( 1.515 -0.974 -2.511) 3.091 3.290 ( -1.063 1.328 -0.455) 1.761 3.333 ( 0.165 -3.136 -1.081) 3.321 3.476 ( 0.970 1.750 0.606) 2.091 3.529 ( 1.440 -2.822 2.206) 3.861 3.621 ( -1.920 2.704 -2.396) 4.091 3.669 ( -2.105 -2.360 -2.709) 4.164 3.870 ( 1.726 1.205 -2.269) 3.096 3.888 ( 2.903 -0.509 0.009) 2.947 4.017 ( -1.973 -0.043 -0.480) 2.031 4.034 ( -0.657 -1.595 0.917) 1.954 4.274 ( 2.026 1.257 0.122) 2.387 4.301 ( 2.143 -1.420 0.056) 2.571 4.404 ( -1.584 1.330 0.856) 2.238 4.425 ( -1.556 -0.981 1.413) 2.320 4.929 ( -0.064 1.706 0.371) 1.747 4.967 ( 0.625 -2.188 0.321) 2.298 6.240 ( -0.604 0.355 -0.050) 0.703 6.250 ( -0.265 -0.654 -0.289) 0.762 8.301 ( -0.537 0.417 0.005) 0.680 8.319 ( -0.217 -1.548 0.090) 1.566 12.636 ( 0.741 0.266 0.320) 0.850 12.651 ( 1.098 -1.463 -0.180) 1.838 12.759 ( 0.045 0.444 0.128) 0.465 12.764 ( -0.026 -0.048 0.031) 0.063 13.119 ( -2.113 2.740 2.778) 4.438 13.148 ( -1.817 -0.442 2.656) 3.249 13.296 ( 3.550 2.988 -2.252) 5.158 13.322 ( 3.715 0.229 -2.304) 4.377 13.794 ( 0.241 0.435 -0.432) 0.658 13.797 ( 0.266 0.135 -0.545) 0.621 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 0.632 6.633 -1.275) 6.784 0.848 ( 0.688 -6.515 -1.753) 6.782 0.988 ( 3.435 1.966 0.340) 3.972 1.016 ( 2.994 -0.719 0.150) 3.083 1.076 ( -2.758 0.621 1.658) 3.278 1.109 ( -3.819 -2.232 2.680) 5.172 1.142 ( -0.777 1.651 2.162) 2.829 1.185 ( -2.207 -2.432 3.643) 4.904 1.403 ( -0.191 2.046 -1.559) 2.579 1.440 ( 0.910 -1.651 -3.269) 3.774 1.524 ( -0.059 2.625 -0.321) 2.645 1.570 ( -0.381 -2.043 -0.106) 2.081 1.929 ( 1.985 4.311 0.355) 4.759 1.948 ( 2.014 2.217 0.400) 3.022 2.061 ( 0.611 1.191 -2.987) 3.273 2.125 ( -0.026 -4.822 -0.217) 4.827 2.182 ( 3.044 1.075 -1.692) 3.645 2.215 ( 2.154 -1.085 -0.071) 2.413 2.288 ( -1.770 0.647 -0.521) 1.956 2.313 ( -2.468 -2.099 -1.220) 3.462 2.371 ( -1.552 2.598 0.211) 3.033 2.414 ( -1.884 -1.599 0.038) 2.471 2.576 ( -0.147 1.810 2.785) 3.325 2.616 ( -0.166 -2.079 3.548) 4.116 2.645 ( 2.170 1.595 0.275) 2.707 2.670 ( 3.522 -0.515 0.755) 3.639 3.005 ( -0.497 2.601 1.543) 3.064 3.036 ( -0.978 -0.490 1.265) 1.672 3.175 ( 1.263 0.243 -0.905) 1.573 3.189 ( 0.995 -1.492 -0.659) 1.911 3.291 ( 0.177 1.948 1.128) 2.258 3.338 ( 0.938 -2.834 -0.084) 2.987 3.493 ( 0.806 2.190 -0.080) 2.335 3.550 ( -0.302 -0.583 -0.604) 0.892 3.575 ( -1.007 -0.563 -1.754) 2.100 3.616 ( -0.197 -1.872 -2.597) 3.207 3.857 ( 0.033 2.040 -1.855) 2.758 3.904 ( 0.473 -2.922 -2.184) 3.678 4.009 ( 0.160 2.145 2.040) 2.965 4.052 ( 0.403 -2.159 1.958) 2.942 4.297 ( 1.035 1.202 -0.409) 1.638 4.326 ( 1.236 -1.637 -0.466) 2.104 4.390 ( -1.297 1.244 0.855) 1.990 4.413 ( -1.750 -1.283 1.264) 2.511 4.931 ( -0.120 1.768 0.172) 1.781 4.972 ( -0.012 -2.389 -0.458) 2.433 6.231 ( -0.444 0.487 0.113) 0.669 6.242 ( -0.217 -0.660 -0.252) 0.740 8.297 ( -0.204 0.552 0.496) 0.770 8.318 ( -0.156 -1.612 0.206) 1.632 12.653 ( 0.859 0.103 0.344) 0.931 12.666 ( 0.995 -1.322 -0.295) 1.681 12.757 ( -0.424 0.406 -0.024) 0.588 12.761 ( -0.321 -0.016 0.075) 0.330 13.131 ( -1.138 2.893 3.895) 4.983 13.161 ( -1.073 -0.324 3.681) 3.848 13.316 ( 2.695 3.140 -3.455) 5.390 13.342 ( 2.513 0.365 -3.317) 4.178 13.793 ( 0.457 0.193 -0.675) 0.837 13.795 ( 0.216 0.037 -0.492) 0.539 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 2.998 3.242 1.977) 4.838 0.839 ( -0.157 -5.354 -1.000) 5.449 1.010 ( 0.623 1.182 -1.886) 2.311 1.029 ( -2.768 0.184 -0.728) 2.868 1.066 ( 2.918 -0.340 0.239) 2.948 1.080 ( -2.857 -1.562 3.119) 4.509 1.177 ( 1.099 1.594 3.220) 3.757 1.210 ( -0.126 -1.744 2.452) 3.012 1.375 ( -1.312 1.930 -0.710) 2.440 1.409 ( -0.184 -1.448 -2.866) 3.216 1.540 ( 1.352 2.517 0.626) 2.925 1.567 ( -0.243 -0.134 0.327) 0.429 1.918 ( -1.306 2.769 -0.814) 3.168 1.970 ( -1.442 -1.748 -1.822) 2.907 2.060 ( 3.729 4.824 0.154) 6.099 2.147 ( 2.249 -3.504 0.313) 4.175 2.205 ( 0.667 0.239 -2.130) 2.245 2.226 ( -3.663 -1.498 -0.182) 3.961 2.256 ( -0.875 0.888 -0.233) 1.268 2.260 ( 0.241 1.649 0.713) 1.813 2.369 ( 0.780 0.014 0.227) 0.812 2.403 ( 0.803 -2.562 -1.229) 2.953 2.592 ( -2.146 2.012 3.282) 4.407 2.629 ( -0.891 -1.522 1.369) 2.232 2.688 ( 1.120 2.852 1.689) 3.499 2.729 ( 2.947 -0.963 -0.086) 3.101 2.985 ( -1.894 1.285 -0.228) 2.300 3.010 ( -1.727 -1.174 -1.018) 2.323 3.213 ( 2.627 -0.019 0.721) 2.724 3.221 ( 1.864 -1.063 0.986) 2.361 3.305 ( -0.101 3.196 1.132) 3.392 3.344 ( -0.197 -0.736 -0.386) 0.854 3.503 ( 0.684 -0.196 -0.363) 0.799 3.533 ( -0.487 -2.884 -1.765) 3.416 3.545 ( 0.433 2.748 -0.611) 2.848 3.595 ( -0.235 -2.005 -1.798) 2.704 3.843 ( 0.002 1.319 -0.420) 1.384 3.877 ( -0.376 -2.394 -1.950) 3.111 4.046 ( 0.813 1.883 2.233) 3.032 4.077 ( 0.302 -1.191 1.108) 1.655 4.302 ( 0.189 0.629 -0.122) 0.668 4.329 ( 0.159 -1.803 -1.067) 2.101 4.386 ( -0.213 0.403 0.804) 0.924 4.400 ( -1.285 -1.079 0.779) 1.850 4.930 ( -0.122 0.967 0.272) 1.012 4.958 ( -0.443 -1.893 -1.043) 2.206 6.229 ( -0.126 0.461 0.267) 0.548 6.238 ( -0.044 -0.425 -0.249) 0.494 8.304 ( 0.125 0.271 0.724) 0.783 8.318 ( -0.023 -1.220 0.049) 1.221 12.666 ( 0.138 -0.061 0.440) 0.465 12.675 ( 0.412 -0.972 -0.230) 1.081 12.751 ( -0.132 0.323 -0.010) 0.349 12.755 ( -0.298 -0.119 -0.117) 0.342 13.164 ( -0.953 2.926 4.780) 5.685 13.192 ( -0.836 -0.131 4.589) 4.666 13.306 ( 1.666 3.039 -4.599) 5.759 13.329 ( 1.239 0.526 -4.262) 4.469 13.792 ( 0.094 0.097 -0.410) 0.431 13.794 ( 0.351 -0.030 -0.553) 0.656 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -2.228 -0.643 -2.592) 3.478 0.814 ( 1.479 -1.829 1.532) 2.807 0.980 ( -2.131 1.073 0.812) 2.520 1.009 ( 0.166 -1.921 0.226) 1.942 1.078 ( -0.120 2.079 0.489) 2.139 1.111 ( 2.333 -0.819 0.087) 2.474 1.220 ( 0.787 0.433 0.256) 0.934 1.229 ( 1.676 -0.503 -0.928) 1.980 1.359 ( -1.040 1.663 1.662) 2.571 1.391 ( 1.266 -1.741 -1.362) 2.548 1.558 ( -0.792 1.854 -0.632) 2.112 1.564 ( 0.520 1.421 0.263) 1.536 1.908 ( -0.463 0.814 1.369) 1.658 1.929 ( 0.564 -1.287 -0.555) 1.511 2.092 ( -6.089 4.185 -2.474) 7.792 2.120 ( -0.718 1.632 2.165) 2.804 2.183 ( -1.064 -1.428 0.150) 1.787 2.219 ( 2.977 -3.147 0.576) 4.370 2.252 ( -0.463 1.728 0.077) 1.791 2.277 ( 0.344 0.436 -0.453) 0.717 2.367 ( -0.292 0.990 -0.241) 1.060 2.426 ( 3.947 -3.754 -2.546) 6.012 2.588 ( -2.929 1.937 3.744) 5.133 2.622 ( -2.171 -1.143 1.691) 2.980 2.711 ( 0.097 3.223 0.340) 3.242 2.754 ( 1.630 -0.815 -2.350) 2.974 2.968 ( -1.068 0.081 1.971) 2.243 2.985 ( -0.168 -1.428 0.222) 1.455 3.226 ( -1.087 1.009 -0.803) 1.687 3.256 ( 1.851 -2.170 -1.671) 3.306 3.319 ( -0.431 2.496 0.817) 2.662 3.332 ( 0.548 1.566 0.058) 1.660 3.501 ( -0.876 -0.829 -0.101) 1.210 3.511 ( 0.030 -1.182 -0.336) 1.229 3.560 ( -0.466 0.382 -0.818) 1.016 3.573 ( 1.388 -1.117 -0.656) 1.899 3.848 ( 0.185 -0.297 0.447) 0.568 3.855 ( 0.004 -0.975 -1.186) 1.535 4.076 ( 0.309 0.832 1.241) 1.526 4.079 ( -0.390 0.550 -0.726) 0.991 4.304 ( -0.516 -0.482 0.662) 0.968 4.313 ( -0.323 -1.349 -0.759) 1.581 4.392 ( -0.260 -0.032 0.267) 0.374 4.401 ( 0.991 -0.949 0.641) 1.514 4.935 ( -0.198 -0.114 0.557) 0.602 4.943 ( 0.172 -0.974 -0.457) 1.090 6.232 ( 0.114 0.232 0.244) 0.355 6.236 ( 0.179 -0.092 -0.311) 0.370 8.314 ( 0.156 -0.273 0.379) 0.493 8.317 ( 0.121 -0.590 -0.316) 0.680 12.665 ( -0.980 -0.144 0.636) 1.177 12.672 ( -0.632 -0.803 -0.062) 1.024 12.753 ( 0.287 0.141 -0.202) 0.378 12.755 ( 0.587 -0.072 -0.045) 0.593 13.200 ( -1.430 3.063 5.044) 6.072 13.230 ( -1.214 -0.084 4.936) 5.084 13.271 ( 0.957 2.780 -5.095) 5.883 13.292 ( 0.417 0.601 -4.613) 4.671 13.788 ( -0.238 0.289 -0.136) 0.399 13.793 ( 0.170 -0.203 -0.383) 0.465 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -2.441 4.588 -2.519) 5.775 0.828 ( -0.748 -5.138 0.482) 5.214 0.966 ( -1.854 1.877 1.714) 3.146 1.010 ( -1.349 -2.517 0.766) 2.957 1.096 ( 2.582 2.870 -0.550) 3.900 1.146 ( 2.069 -1.549 -0.019) 2.585 1.215 ( 1.560 2.541 -4.400) 5.315 1.241 ( 2.054 -0.443 -1.451) 2.554 1.376 ( -0.524 0.485 2.818) 2.907 1.402 ( 1.048 -2.327 -1.295) 2.861 1.530 ( -1.380 2.292 -1.136) 2.907 1.564 ( -0.351 -0.944 0.375) 1.075 1.925 ( 0.834 3.788 0.803) 3.961 1.962 ( -6.085 7.159 3.120) 9.900 1.977 ( 0.237 -0.311 -0.425) 0.577 2.100 ( -2.400 -5.323 2.277) 6.267 2.157 ( -2.871 0.854 0.584) 3.052 2.219 ( -4.071 -4.095 -0.843) 5.836 2.280 ( 2.490 -0.999 0.288) 2.699 2.284 ( 2.311 -1.064 1.183) 2.805 2.385 ( 3.052 4.046 -1.096) 5.185 2.449 ( 2.968 -2.103 -2.830) 4.609 2.586 ( -1.976 0.500 3.125) 3.731 2.599 ( -2.736 -0.683 1.623) 3.253 2.691 ( -1.261 2.948 -2.190) 3.883 2.733 ( -0.060 -1.181 -3.559) 3.750 2.993 ( 0.664 0.689 2.876) 3.031 3.013 ( 1.026 -1.046 2.498) 2.896 3.181 ( -1.923 2.095 -1.950) 3.448 3.231 ( -0.672 -3.022 -3.106) 4.386 3.316 ( 0.040 1.984 -0.715) 2.109 3.346 ( 0.113 -0.595 -0.608) 0.858 3.490 ( -0.184 1.489 0.142) 1.507 3.526 ( 1.072 -1.982 1.691) 2.817 3.539 ( -0.007 2.247 -0.274) 2.263 3.595 ( 0.620 -3.001 0.180) 3.070 3.838 ( -0.675 0.625 -0.222) 0.946 3.863 ( -0.349 -2.133 1.360) 2.553 4.054 ( -0.546 1.832 -1.907) 2.700 4.079 ( -0.371 -0.594 -0.369) 0.791 4.290 ( -1.171 0.250 0.084) 1.200 4.311 ( -0.831 -1.792 0.849) 2.150 4.399 ( 0.917 1.287 0.017) 1.580 4.427 ( 1.615 -1.687 0.091) 2.337 4.933 ( 0.021 0.752 -0.020) 0.752 4.957 ( 0.543 -1.685 0.840) 1.959 6.235 ( 0.290 0.178 -0.190) 0.390 6.238 ( 0.273 -0.140 0.075) 0.316 8.311 ( 0.064 0.149 -0.649) 0.669 8.321 ( 0.308 -0.998 -0.055) 1.046 12.653 ( -1.532 -0.470 0.860) 1.819 12.655 ( -1.284 -0.690 0.077) 1.459 12.759 ( 0.592 0.383 -0.173) 0.726 12.765 ( 0.640 -0.194 -0.169) 0.690 13.217 ( -0.725 3.272 -0.571) 3.400 13.238 ( -0.712 2.492 0.448) 2.630 13.246 ( 0.296 0.313 -3.823) 3.847 13.259 ( -1.749 0.065 3.848) 4.227 13.783 ( -0.380 0.531 0.176) 0.677 13.791 ( -0.017 -0.315 -0.121) 0.338 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -0.303 7.331 0.614) 7.362 0.812 ( -1.876 -3.807 0.496) 4.273 0.944 ( -2.290 2.175 0.485) 3.195 0.993 ( -0.263 -2.677 -1.306) 2.990 1.126 ( 1.126 2.078 -1.029) 2.578 1.159 ( -0.231 -0.090 -1.744) 1.762 1.204 ( 3.110 2.712 -3.093) 5.157 1.261 ( 3.294 -2.438 -2.634) 4.872 1.382 ( -1.854 0.402 2.517) 3.152 1.393 ( -0.599 -1.246 0.002) 1.382 1.515 ( -0.079 1.821 1.844) 2.593 1.568 ( 0.107 -3.164 0.421) 3.194 1.885 ( -4.119 6.892 1.588) 8.185 1.925 ( -0.568 3.601 -0.962) 3.770 2.004 ( -1.267 1.284 3.806) 4.212 2.086 ( -3.898 -5.960 0.141) 7.123 2.132 ( -0.761 -0.461 2.445) 2.602 2.171 ( -1.957 -3.914 2.054) 4.834 2.294 ( 0.162 1.594 -0.064) 1.603 2.334 ( 1.422 -2.524 1.127) 3.109 2.433 ( 4.006 3.001 -1.568) 5.245 2.473 ( 3.003 -0.587 -1.939) 3.623 2.575 ( -1.560 0.786 0.823) 1.931 2.597 ( -0.807 -1.617 2.277) 2.907 2.634 ( -1.458 1.756 -3.159) 3.897 2.670 ( -1.800 -1.665 -5.126) 5.682 3.025 ( 0.272 2.308 -0.082) 2.326 3.048 ( 0.221 -0.199 1.383) 1.415 3.147 ( -0.467 1.623 0.195) 1.700 3.193 ( 0.097 -3.200 -2.256) 3.917 3.301 ( -0.166 0.802 -1.250) 1.494 3.326 ( -0.790 -1.788 -0.620) 2.051 3.489 ( -0.100 3.634 -0.604) 3.685 3.560 ( 1.664 -0.495 0.213) 1.749 3.577 ( 0.967 -2.019 1.317) 2.598 3.605 ( 1.612 -1.391 2.304) 3.137 3.823 ( -2.154 1.419 1.554) 3.011 3.861 ( -2.426 -2.657 1.877) 4.058 4.033 ( 0.771 1.640 -1.606) 2.421 4.064 ( -0.082 -1.424 -1.295) 1.927 4.271 ( -1.664 1.069 0.322) 2.004 4.298 ( -1.618 -1.611 0.364) 2.312 4.417 ( 1.157 1.843 -0.220) 2.187 4.450 ( 1.427 -1.721 -0.636) 2.325 4.935 ( 0.162 1.407 -0.119) 1.422 4.969 ( 0.013 -2.058 0.200) 2.068 6.240 ( 0.456 0.138 -0.052) 0.479 6.244 ( 0.213 -0.294 0.206) 0.417 8.306 ( 0.300 0.485 -0.505) 0.762 8.324 ( 0.330 -1.400 -0.296) 1.468 12.635 ( -1.394 -0.431 0.426) 1.520 12.638 ( -1.442 -0.900 0.820) 1.887 12.764 ( 0.329 0.392 -0.262) 0.575 12.769 ( 0.304 -0.088 -0.392) 0.504 13.190 ( 1.192 2.889 -3.564) 4.740 13.213 ( 0.881 0.287 -3.261) 3.390 13.238 ( -2.524 2.627 3.028) 4.738 13.264 ( -2.671 -0.096 3.068) 4.069 13.781 ( -0.283 0.722 0.506) 0.926 13.790 ( -0.004 -0.265 0.113) 0.288 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 0.204 5.347 3.239) 6.255 0.776 ( -2.525 -0.013 -0.094) 2.527 0.905 ( -0.976 2.810 -2.820) 4.099 0.981 ( 0.767 -3.761 -1.349) 4.069 1.097 ( -2.208 0.282 -2.018) 3.005 1.105 ( -1.900 0.010 -3.650) 4.115 1.224 ( 2.645 2.751 -1.983) 4.300 1.277 ( 1.614 -2.078 -1.657) 3.110 1.398 ( 0.162 -0.225 1.911) 1.931 1.406 ( -0.521 -1.697 1.762) 2.501 1.573 ( 2.296 0.604 5.011) 5.545 1.594 ( 2.855 -2.028 2.585) 4.353 1.859 ( -2.138 5.071 1.834) 5.801 1.914 ( 0.268 0.705 -0.036) 0.755 2.004 ( -4.612 -0.188 2.645) 5.320 2.027 ( -1.414 -0.400 0.698) 1.627 2.153 ( -0.143 -0.060 2.954) 2.958 2.188 ( 0.899 -2.841 1.112) 3.180 2.293 ( -0.928 2.271 0.828) 2.589 2.350 ( -0.029 -3.528 -0.231) 3.536 2.434 ( -0.768 3.317 -3.994) 5.249 2.486 ( 0.264 -1.130 -2.521) 2.775 2.556 ( -1.051 1.537 -1.558) 2.428 2.581 ( -0.533 0.266 -1.908) 1.999 2.602 ( 1.598 -2.209 -2.345) 3.596 2.614 ( -0.499 -1.653 0.473) 1.790 3.017 ( 0.144 3.256 -0.601) 3.314 3.051 ( -0.023 -0.348 -0.541) 0.643 3.153 ( -0.297 0.619 0.956) 1.177 3.181 ( 0.714 -2.389 -1.574) 2.949 3.298 ( 0.600 0.781 0.568) 1.137 3.325 ( 0.439 -1.919 0.727) 2.099 3.473 ( -0.514 2.301 -1.063) 2.586 3.528 ( -1.768 -2.836 -2.704) 4.298 3.641 ( 3.558 2.763 2.319) 5.067 3.690 ( 3.840 -2.500 2.851) 5.397 3.803 ( -3.299 1.061 2.357) 4.191 3.828 ( -3.656 -1.593 1.537) 4.274 4.048 ( 1.950 0.091 -0.028) 1.952 4.056 ( 0.831 -0.721 -0.871) 1.403 4.243 ( -1.815 1.179 -0.164) 2.170 4.269 ( -1.940 -1.387 -0.393) 2.416 4.428 ( 0.601 1.707 -0.255) 1.828 4.456 ( 0.552 -1.313 -1.109) 1.805 4.934 ( 0.135 1.092 -0.299) 1.140 4.961 ( -0.676 -1.605 -0.538) 1.823 6.248 ( 0.455 -0.019 0.101) 0.467 6.250 ( 0.128 -0.246 0.344) 0.442 8.310 ( 0.485 0.314 -0.112) 0.589 8.326 ( 0.248 -1.343 -0.374) 1.416 12.622 ( -0.914 -0.330 0.692) 1.193 12.627 ( -0.981 -0.892 0.725) 1.511 12.763 ( 0.056 0.337 -0.486) 0.593 12.766 ( 0.002 -0.012 -0.539) 0.539 13.183 ( 1.853 2.484 -2.184) 3.791 13.202 ( 0.777 0.438 -1.690) 1.911 13.222 ( -2.596 2.252 1.857) 3.906 13.244 ( -2.161 -0.034 0.894) 2.339 13.785 ( -0.096 0.826 0.661) 1.062 13.793 ( 0.120 -0.062 0.176) 0.222 =================== 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 3/18900 10.0 23.430 24.811 27.788 0.000 -5.260 0.000 3/18900 20.0 5.435 5.584 6.702 0.000 -1.036 0.000 3/18900 30.0 2.701 2.746 3.353 0.000 -0.479 0.000 3/18900 40.0 1.777 1.796 2.205 0.000 -0.300 0.000 3/18900 50.0 1.331 1.340 1.649 0.000 -0.217 0.000 3/18900 60.0 1.070 1.076 1.323 0.000 -0.170 0.000 3/18900 70.0 0.898 0.903 1.109 0.000 -0.140 0.000 3/18900 80.0 0.776 0.781 0.958 0.000 -0.120 0.000 3/18900 90.0 0.685 0.691 0.846 0.000 -0.105 0.000 3/18900 100.0 0.614 0.623 0.759 0.000 -0.094 0.000 3/18900 110.0 0.558 0.569 0.690 0.000 -0.086 0.000 3/18900 120.0 0.511 0.526 0.634 0.000 -0.079 0.000 3/18900 130.0 0.473 0.490 0.587 0.000 -0.074 0.000 3/18900 140.0 0.440 0.460 0.548 0.000 -0.069 0.000 3/18900 150.0 0.412 0.435 0.514 0.000 -0.066 0.000 3/18900 160.0 0.388 0.413 0.485 0.000 -0.062 0.000 3/18900 170.0 0.366 0.393 0.459 0.000 -0.060 0.000 3/18900 180.0 0.347 0.376 0.436 0.000 -0.057 0.000 3/18900 190.0 0.330 0.360 0.415 0.000 -0.055 0.000 3/18900 200.0 0.315 0.346 0.397 0.000 -0.053 0.000 3/18900 210.0 0.301 0.333 0.380 0.000 -0.051 0.000 3/18900 220.0 0.288 0.321 0.365 0.000 -0.050 0.000 3/18900 230.0 0.277 0.310 0.351 0.000 -0.048 0.000 3/18900 240.0 0.266 0.300 0.338 0.000 -0.047 0.000 3/18900 250.0 0.256 0.291 0.326 0.000 -0.045 0.000 3/18900 260.0 0.247 0.282 0.315 0.000 -0.044 0.000 3/18900 270.0 0.239 0.273 0.304 0.000 -0.043 0.000 3/18900 280.0 0.231 0.265 0.295 0.000 -0.042 0.000 3/18900 290.0 0.223 0.258 0.285 0.000 -0.041 0.000 3/18900 300.0 0.216 0.251 0.277 0.000 -0.040 0.000 3/18900 310.0 0.210 0.244 0.269 0.000 -0.039 0.000 3/18900 320.0 0.204 0.238 0.261 0.000 -0.038 0.000 3/18900 330.0 0.198 0.232 0.254 0.000 -0.037 0.000 3/18900 340.0 0.192 0.226 0.247 0.000 -0.036 0.000 3/18900 350.0 0.187 0.221 0.241 0.000 -0.035 0.000 3/18900 360.0 0.182 0.216 0.235 0.000 -0.034 0.000 3/18900 370.0 0.178 0.211 0.229 0.000 -0.034 0.000 3/18900 380.0 0.173 0.206 0.224 0.000 -0.033 0.000 3/18900 390.0 0.169 0.202 0.218 0.000 -0.032 0.000 3/18900 400.0 0.165 0.197 0.213 0.000 -0.032 0.000 3/18900 410.0 0.161 0.193 0.208 0.000 -0.031 0.000 3/18900 420.0 0.158 0.189 0.204 0.000 -0.030 0.000 3/18900 430.0 0.154 0.185 0.200 0.000 -0.030 0.000 3/18900 440.0 0.151 0.182 0.195 0.000 -0.029 0.000 3/18900 450.0 0.148 0.178 0.191 0.000 -0.029 0.000 3/18900 460.0 0.145 0.175 0.187 0.000 -0.028 0.000 3/18900 470.0 0.142 0.171 0.184 0.000 -0.028 0.000 3/18900 480.0 0.139 0.168 0.180 0.000 -0.027 0.000 3/18900 490.0 0.136 0.165 0.177 0.000 -0.027 0.000 3/18900 500.0 0.133 0.162 0.173 0.000 -0.026 0.000 3/18900 510.0 0.131 0.159 0.170 0.000 -0.026 0.000 3/18900 520.0 0.129 0.157 0.167 0.000 -0.025 0.000 3/18900 530.0 0.126 0.154 0.164 0.000 -0.025 0.000 3/18900 540.0 0.124 0.151 0.161 0.000 -0.025 0.000 3/18900 550.0 0.122 0.149 0.159 0.000 -0.024 0.000 3/18900 560.0 0.120 0.147 0.156 0.000 -0.024 0.000 3/18900 570.0 0.118 0.144 0.153 0.000 -0.023 0.000 3/18900 580.0 0.116 0.142 0.151 0.000 -0.023 0.000 3/18900 590.0 0.114 0.140 0.148 0.000 -0.023 0.000 3/18900 600.0 0.112 0.138 0.146 0.000 -0.022 0.000 3/18900 610.0 0.110 0.136 0.144 0.000 -0.022 0.000 3/18900 620.0 0.109 0.134 0.142 0.000 -0.022 0.000 3/18900 630.0 0.107 0.132 0.139 0.000 -0.021 0.000 3/18900 640.0 0.105 0.130 0.137 0.000 -0.021 0.000 3/18900 650.0 0.104 0.128 0.135 0.000 -0.021 0.000 3/18900 660.0 0.102 0.126 0.133 0.000 -0.021 0.000 3/18900 670.0 0.101 0.124 0.131 0.000 -0.020 0.000 3/18900 680.0 0.099 0.123 0.130 0.000 -0.020 0.000 3/18900 690.0 0.098 0.121 0.128 0.000 -0.020 0.000 3/18900 700.0 0.096 0.119 0.126 0.000 -0.020 0.000 3/18900 710.0 0.095 0.118 0.124 0.000 -0.019 0.000 3/18900 720.0 0.094 0.116 0.123 0.000 -0.019 0.000 3/18900 730.0 0.093 0.115 0.121 0.000 -0.019 0.000 3/18900 740.0 0.091 0.113 0.120 0.000 -0.019 0.000 3/18900 750.0 0.090 0.112 0.118 0.000 -0.018 0.000 3/18900 760.0 0.089 0.111 0.117 0.000 -0.018 0.000 3/18900 770.0 0.088 0.109 0.115 0.000 -0.018 0.000 3/18900 780.0 0.087 0.108 0.114 0.000 -0.018 0.000 3/18900 790.0 0.086 0.107 0.112 0.000 -0.018 0.000 3/18900 800.0 0.085 0.105 0.111 0.000 -0.017 0.000 3/18900 810.0 0.084 0.104 0.110 0.000 -0.017 0.000 3/18900 820.0 0.083 0.103 0.108 0.000 -0.017 0.000 3/18900 830.0 0.082 0.102 0.107 0.000 -0.017 0.000 3/18900 840.0 0.081 0.101 0.106 0.000 -0.017 0.000 3/18900 850.0 0.080 0.100 0.105 0.000 -0.016 0.000 3/18900 860.0 0.079 0.099 0.103 0.000 -0.016 0.000 3/18900 870.0 0.078 0.097 0.102 0.000 -0.016 0.000 3/18900 880.0 0.077 0.096 0.101 0.000 -0.016 0.000 3/18900 890.0 0.076 0.095 0.100 0.000 -0.016 0.000 3/18900 900.0 0.076 0.094 0.099 0.000 -0.016 0.000 3/18900 910.0 0.075 0.093 0.098 0.000 -0.015 0.000 3/18900 920.0 0.074 0.092 0.097 0.000 -0.015 0.000 3/18900 930.0 0.073 0.091 0.096 0.000 -0.015 0.000 3/18900 940.0 0.072 0.091 0.095 0.000 -0.015 0.000 3/18900 950.0 0.072 0.090 0.094 0.000 -0.015 0.000 3/18900 960.0 0.071 0.089 0.093 0.000 -0.015 0.000 3/18900 970.0 0.070 0.088 0.092 0.000 -0.014 0.000 3/18900 980.0 0.069 0.087 0.091 0.000 -0.014 0.000 3/18900 990.0 0.069 0.086 0.090 0.000 -0.014 0.000 3/18900 1000.0 0.068 0.085 0.089 0.000 -0.014 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:55:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|