----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:48:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.927096356597188 1.689959869425356 9.496071239999988 b -2.927096356597183 1.689959869425356 9.496071239999988 c 0.000000000000003 -3.379919738850717 9.496071239999988 Atomic positions (fractional): *1 Li 0.59590158008699 0.59590158008699 0.59590158008699 6.941 2 Li 0.40409841991301 0.40409841991302 0.40409841991302 6.941 *3 F 0.27453848572581 0.80546667498976 0.80546667498976 18.998 4 F 0.72546151427419 0.19453332501024 0.19453332501024 18.998 5 F 0.80546667498976 0.27453848572581 0.80546667498976 18.998 6 F 0.80546667498976 0.80546667498976 0.27453848572581 18.998 7 F 0.19453332501024 0.72546151427420 0.19453332501024 18.998 8 F 0.19453332501024 0.19453332501024 0.72546151427419 18.998 *9 F 0.39246540903603 0.39246540903604 0.83781368858908 18.998 10 F 0.39246540903603 0.83781368858908 0.39246540903603 18.998 11 F 0.83781368858908 0.39246540903604 0.39246540903603 18.998 12 F 0.16218631141092 0.60753459096397 0.60753459096397 18.998 13 F 0.60753459096397 0.60753459096397 0.16218631141092 18.998 14 F 0.60753459096397 0.16218631141092 0.60753459096397 18.998 *15 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 *16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 *17 Rb 0.28353849745040 0.28353849745040 0.28353849745040 85.468 18 Rb 0.71646150254960 0.71646150254961 0.71646150254960 85.468 *19 Rb 0.12747636320773 0.12747636320773 0.12747636320773 85.468 20 Rb 0.87252363679227 0.87252363679227 0.87252363679227 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.854192713194371 0.000000000000000 0.000000000000000 b -2.927096356597186 5.069879608276073 0.000000000000000 c 0.000000000000000 0.000000000000000 28.488213719999997 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.92923491342032 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.73743175324635 6.941 > 2 3 Li 0.33333333333333 0.66666666666667 0.26256824675365 6.941 > 1 4 Li 0.33333333333333 0.66666666666667 0.07076508657968 6.941 > 2 5 Li 0.00000000000000 0.00000000000000 0.59590158008699 6.941 > 1 6 Li 0.00000000000000 0.00000000000000 0.40409841991301 6.941 > 2 *7 F 0.31271454049070 0.15635727024535 0.96182394523511 18.998 > 3 8 F 0.02061879284264 0.51030939642132 0.70484272143156 18.998 > 4 9 F 0.84364272975465 0.15635727024535 0.96182394523511 18.998 > 5 10 F 0.84364272975465 0.68728545950930 0.96182394523511 18.998 > 6 11 F 0.48969060357868 0.51030939642132 0.70484272143156 18.998 > 7 12 F 0.48969060357868 0.97938120715736 0.70484272143156 18.998 > 8 *13 F 0.51821724014898 0.03643448029797 0.87424816888705 18.998 > 9 14 F 0.51821724014898 0.48178275985102 0.87424816888705 18.998 > 10 15 F 0.96356551970203 0.48178275985102 0.87424816888705 18.998 > 11 16 F 0.36976781363130 0.18488390681565 0.79241849777962 18.998 > 12 17 F 0.81511609318435 0.63023218636870 0.79241849777962 18.998 > 13 18 F 0.81511609318435 0.18488390681565 0.79241849777962 18.998 > 14 19 F 0.97938120715736 0.48969060357868 0.29515727856844 18.998 > 3 20 F 0.68728545950930 0.84364272975465 0.03817605476489 18.998 > 4 21 F 0.51030939642132 0.48969060357868 0.29515727856844 18.998 > 5 22 F 0.51030939642132 0.02061879284264 0.29515727856844 18.998 > 6 23 F 0.15635727024535 0.84364272975465 0.03817605476489 18.998 > 7 24 F 0.15635727024535 0.31271454049070 0.03817605476489 18.998 > 8 25 F 0.18488390681565 0.36976781363130 0.20758150222038 18.998 > 9 26 F 0.18488390681565 0.81511609318435 0.20758150222038 18.998 > 10 27 F 0.63023218636870 0.81511609318435 0.20758150222038 18.998 > 11 28 F 0.03643448029797 0.51821724014898 0.12575183111295 18.998 > 12 29 F 0.48178275985102 0.96356551970203 0.12575183111295 18.998 > 13 30 F 0.48178275985102 0.51821724014898 0.12575183111295 18.998 > 14 31 F 0.64604787382403 0.82302393691202 0.62849061190178 18.998 > 3 32 F 0.35395212617597 0.17697606308798 0.37150938809822 18.998 > 4 33 F 0.17697606308798 0.82302393691202 0.62849061190178 18.998 > 5 34 F 0.17697606308798 0.35395212617597 0.62849061190178 18.998 > 6 35 F 0.82302393691202 0.17697606308798 0.37150938809822 18.998 > 7 36 F 0.82302393691202 0.64604787382403 0.37150938809822 18.998 > 8 37 F 0.85155057348232 0.70310114696463 0.54091483555372 18.998 > 9 38 F 0.85155057348232 0.14844942651768 0.54091483555372 18.998 > 10 39 F 0.29689885303537 0.14844942651768 0.54091483555372 18.998 > 11 40 F 0.70310114696463 0.85155057348232 0.45908516444628 18.998 > 12 41 F 0.14844942651768 0.29689885303537 0.45908516444628 18.998 > 13 42 F 0.14844942651768 0.85155057348232 0.45908516444628 18.998 > 14 *43 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 15 *44 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 16 45 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 15 46 Ga 0.66666666666667 0.33333333333333 0.33333333333333 69.723 > 16 47 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 15 48 Ga 0.33333333333333 0.66666666666667 0.66666666666667 69.723 > 16 *49 Rb 0.33333333333333 0.66666666666667 0.95020516411706 85.468 > 17 50 Rb 0.00000000000000 0.00000000000000 0.71646150254960 85.468 > 18 *51 Rb 0.33333333333333 0.66666666666667 0.79414302987440 85.468 > 19 52 Rb 0.00000000000000 0.00000000000000 0.87252363679227 85.468 > 20 53 Rb 0.00000000000000 0.00000000000000 0.28353849745040 85.468 > 17 54 Rb 0.66666666666667 0.33333333333333 0.04979483588294 85.468 > 18 55 Rb 0.00000000000000 0.00000000000000 0.12747636320773 85.468 > 19 56 Rb 0.66666666666667 0.33333333333333 0.20585697012560 85.468 > 20 57 Rb 0.66666666666667 0.33333333333333 0.61687183078373 85.468 > 17 58 Rb 0.33333333333333 0.66666666666667 0.38312816921627 85.468 > 18 59 Rb 0.66666666666667 0.33333333333333 0.46080969654106 85.468 > 19 60 Rb 0.33333333333333 0.66666666666667 0.53919030345894 85.468 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.854192713194371 0.000000000000000 0.000000000000000 b -2.927096356597186 5.069879608276073 0.000000000000000 c 0.000000000000000 0.000000000000000 28.488213719999997 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.92923491342032 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.73743175324635 6.941 > 2 3 Li 0.33333333333333 0.66666666666667 0.26256824675365 6.941 > 1 4 Li 0.33333333333333 0.66666666666667 0.07076508657968 6.941 > 2 5 Li 0.00000000000000 0.00000000000000 0.59590158008699 6.941 > 1 6 Li 0.00000000000000 0.00000000000000 0.40409841991301 6.941 > 2 *7 F 0.31271454049070 0.15635727024535 0.96182394523511 18.998 > 3 8 F 0.02061879284264 0.51030939642132 0.70484272143156 18.998 > 4 9 F 0.84364272975465 0.15635727024535 0.96182394523511 18.998 > 5 10 F 0.84364272975465 0.68728545950930 0.96182394523511 18.998 > 6 11 F 0.48969060357868 0.51030939642132 0.70484272143156 18.998 > 7 12 F 0.48969060357868 0.97938120715736 0.70484272143156 18.998 > 8 *13 F 0.51821724014898 0.03643448029797 0.87424816888705 18.998 > 9 14 F 0.51821724014898 0.48178275985102 0.87424816888705 18.998 > 10 15 F 0.96356551970203 0.48178275985102 0.87424816888705 18.998 > 11 16 F 0.36976781363130 0.18488390681565 0.79241849777962 18.998 > 12 17 F 0.81511609318435 0.63023218636870 0.79241849777962 18.998 > 13 18 F 0.81511609318435 0.18488390681565 0.79241849777962 18.998 > 14 19 F 0.97938120715736 0.48969060357868 0.29515727856844 18.998 > 3 20 F 0.68728545950930 0.84364272975465 0.03817605476489 18.998 > 4 21 F 0.51030939642132 0.48969060357868 0.29515727856844 18.998 > 5 22 F 0.51030939642132 0.02061879284264 0.29515727856844 18.998 > 6 23 F 0.15635727024535 0.84364272975465 0.03817605476489 18.998 > 7 24 F 0.15635727024535 0.31271454049070 0.03817605476489 18.998 > 8 25 F 0.18488390681565 0.36976781363130 0.20758150222038 18.998 > 9 26 F 0.18488390681565 0.81511609318435 0.20758150222038 18.998 > 10 27 F 0.63023218636870 0.81511609318435 0.20758150222038 18.998 > 11 28 F 0.03643448029797 0.51821724014898 0.12575183111295 18.998 > 12 29 F 0.48178275985102 0.96356551970203 0.12575183111295 18.998 > 13 30 F 0.48178275985102 0.51821724014898 0.12575183111295 18.998 > 14 31 F 0.64604787382403 0.82302393691202 0.62849061190178 18.998 > 3 32 F 0.35395212617597 0.17697606308798 0.37150938809822 18.998 > 4 33 F 0.17697606308798 0.82302393691202 0.62849061190178 18.998 > 5 34 F 0.17697606308798 0.35395212617597 0.62849061190178 18.998 > 6 35 F 0.82302393691202 0.17697606308798 0.37150938809822 18.998 > 7 36 F 0.82302393691202 0.64604787382403 0.37150938809822 18.998 > 8 37 F 0.85155057348232 0.70310114696463 0.54091483555372 18.998 > 9 38 F 0.85155057348232 0.14844942651768 0.54091483555372 18.998 > 10 39 F 0.29689885303537 0.14844942651768 0.54091483555372 18.998 > 11 40 F 0.70310114696463 0.85155057348232 0.45908516444628 18.998 > 12 41 F 0.14844942651768 0.29689885303537 0.45908516444628 18.998 > 13 42 F 0.14844942651768 0.85155057348232 0.45908516444628 18.998 > 14 *43 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 15 *44 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 16 45 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 15 46 Ga 0.66666666666667 0.33333333333333 0.33333333333333 69.723 > 16 47 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 15 48 Ga 0.33333333333333 0.66666666666667 0.66666666666667 69.723 > 16 *49 Rb 0.33333333333333 0.66666666666667 0.95020516411706 85.468 > 17 50 Rb 0.00000000000000 0.00000000000000 0.71646150254960 85.468 > 18 *51 Rb 0.33333333333333 0.66666666666667 0.79414302987440 85.468 > 19 52 Rb 0.00000000000000 0.00000000000000 0.87252363679227 85.468 > 20 53 Rb 0.00000000000000 0.00000000000000 0.28353849745040 85.468 > 17 54 Rb 0.66666666666667 0.33333333333333 0.04979483588294 85.468 > 18 55 Rb 0.00000000000000 0.00000000000000 0.12747636320773 85.468 > 19 56 Rb 0.66666666666667 0.33333333333333 0.20585697012560 85.468 > 20 57 Rb 0.66666666666667 0.33333333333333 0.61687183078373 85.468 > 17 58 Rb 0.33333333333333 0.66666666666667 0.38312816921627 85.468 > 18 59 Rb 0.66666666666667 0.33333333333333 0.46080969654106 85.468 > 19 60 Rb 0.33333333333333 0.66666666666667 0.53919030345894 85.468 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2464464 0.0000000 0.0000000 0.0000000 2.2464464 0.0000000 0.0000000 0.0000000 2.2426286 -------------------------- Born effective charges -------------------------- 1 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 2 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 3 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 4 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 5 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 6 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 7 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 8 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 9 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 10 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 11 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 12 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 13 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 14 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 15 Ga 2.8095978 0.0000000 -0.0000000 0.0000000 2.8095978 -0.0000000 0.0000000 0.0000000 2.8245001 16 Ga 2.8840405 0.0000000 -0.0000000 0.0000000 2.8840405 -0.0000000 0.0000000 0.0000000 2.8812047 17 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 18 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 19 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 20 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 516 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.309 Solver_block: 200 / 240 - Time: 0.344 Solver_block: 240 / 240 - Time: 0.133 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.799 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 516 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:48:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:48:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.927096356597188 1.689959869425356 9.496071239999988 b -2.927096356597183 1.689959869425356 9.496071239999988 c 0.000000000000003 -3.379919738850717 9.496071239999988 Atomic positions (fractional): 1 Li 0.59590158008699 0.59590158008699 0.59590158008699 6.941 2 Li 0.40409841991301 0.40409841991302 0.40409841991302 6.941 3 F 0.27453848572581 0.80546667498976 0.80546667498976 18.998 4 F 0.72546151427419 0.19453332501024 0.19453332501024 18.998 5 F 0.80546667498976 0.27453848572581 0.80546667498976 18.998 6 F 0.80546667498976 0.80546667498976 0.27453848572581 18.998 7 F 0.19453332501024 0.72546151427420 0.19453332501024 18.998 8 F 0.19453332501024 0.19453332501024 0.72546151427419 18.998 9 F 0.39246540903603 0.39246540903604 0.83781368858908 18.998 10 F 0.39246540903603 0.83781368858908 0.39246540903603 18.998 11 F 0.83781368858908 0.39246540903604 0.39246540903603 18.998 12 F 0.16218631141092 0.60753459096397 0.60753459096397 18.998 13 F 0.60753459096397 0.60753459096397 0.16218631141092 18.998 14 F 0.60753459096397 0.16218631141092 0.60753459096397 18.998 15 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 17 Rb 0.28353849745040 0.28353849745040 0.28353849745040 85.468 18 Rb 0.71646150254960 0.71646150254961 0.71646150254960 85.468 19 Rb 0.12747636320773 0.12747636320773 0.12747636320773 85.468 20 Rb 0.87252363679227 0.87252363679227 0.87252363679227 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.854192713194371 0.000000000000000 0.000000000000000 b -2.927096356597186 5.069879608276073 0.000000000000000 c 0.000000000000000 0.000000000000000 28.488213719999997 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.92923491342032 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.73743175324635 6.941 > 2 3 Li 0.33333333333333 0.66666666666667 0.26256824675365 6.941 > 1 4 Li 0.33333333333333 0.66666666666667 0.07076508657968 6.941 > 2 5 Li 0.00000000000000 0.00000000000000 0.59590158008699 6.941 > 1 6 Li 0.00000000000000 0.00000000000000 0.40409841991301 6.941 > 2 7 F 0.31271454049070 0.15635727024535 0.96182394523511 18.998 > 7 8 F 0.02061879284264 0.51030939642132 0.70484272143156 18.998 > 8 9 F 0.84364272975465 0.15635727024535 0.96182394523511 18.998 > 9 10 F 0.84364272975465 0.68728545950930 0.96182394523511 18.998 > 10 11 F 0.48969060357868 0.51030939642132 0.70484272143156 18.998 > 11 12 F 0.48969060357868 0.97938120715736 0.70484272143156 18.998 > 12 13 F 0.51821724014898 0.03643448029797 0.87424816888705 18.998 > 13 14 F 0.51821724014898 0.48178275985102 0.87424816888705 18.998 > 14 15 F 0.96356551970203 0.48178275985102 0.87424816888705 18.998 > 15 16 F 0.36976781363130 0.18488390681565 0.79241849777962 18.998 > 16 17 F 0.81511609318435 0.63023218636870 0.79241849777962 18.998 > 17 18 F 0.81511609318435 0.18488390681565 0.79241849777962 18.998 > 18 19 F 0.97938120715736 0.48969060357868 0.29515727856844 18.998 > 7 20 F 0.68728545950930 0.84364272975465 0.03817605476489 18.998 > 8 21 F 0.51030939642132 0.48969060357868 0.29515727856844 18.998 > 9 22 F 0.51030939642132 0.02061879284264 0.29515727856844 18.998 > 10 23 F 0.15635727024535 0.84364272975465 0.03817605476489 18.998 > 11 24 F 0.15635727024535 0.31271454049070 0.03817605476489 18.998 > 12 25 F 0.18488390681565 0.36976781363130 0.20758150222038 18.998 > 13 26 F 0.18488390681565 0.81511609318435 0.20758150222038 18.998 > 14 27 F 0.63023218636870 0.81511609318435 0.20758150222038 18.998 > 15 28 F 0.03643448029797 0.51821724014898 0.12575183111295 18.998 > 16 29 F 0.48178275985102 0.96356551970203 0.12575183111295 18.998 > 17 30 F 0.48178275985102 0.51821724014898 0.12575183111295 18.998 > 18 31 F 0.64604787382403 0.82302393691202 0.62849061190178 18.998 > 7 32 F 0.35395212617597 0.17697606308798 0.37150938809822 18.998 > 8 33 F 0.17697606308798 0.82302393691202 0.62849061190178 18.998 > 9 34 F 0.17697606308798 0.35395212617597 0.62849061190178 18.998 > 10 35 F 0.82302393691202 0.17697606308798 0.37150938809822 18.998 > 11 36 F 0.82302393691202 0.64604787382403 0.37150938809822 18.998 > 12 37 F 0.85155057348232 0.70310114696463 0.54091483555372 18.998 > 13 38 F 0.85155057348232 0.14844942651768 0.54091483555372 18.998 > 14 39 F 0.29689885303537 0.14844942651768 0.54091483555372 18.998 > 15 40 F 0.70310114696463 0.85155057348232 0.45908516444628 18.998 > 16 41 F 0.14844942651768 0.29689885303537 0.45908516444628 18.998 > 17 42 F 0.14844942651768 0.85155057348232 0.45908516444628 18.998 > 18 43 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 43 44 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 44 45 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 43 46 Ga 0.66666666666667 0.33333333333333 0.33333333333333 69.723 > 44 47 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 43 48 Ga 0.33333333333333 0.66666666666667 0.66666666666667 69.723 > 44 49 Rb 0.33333333333333 0.66666666666667 0.95020516411706 85.468 > 49 50 Rb 0.00000000000000 0.00000000000000 0.71646150254960 85.468 > 50 51 Rb 0.33333333333333 0.66666666666667 0.79414302987440 85.468 > 51 52 Rb 0.00000000000000 0.00000000000000 0.87252363679227 85.468 > 52 53 Rb 0.00000000000000 0.00000000000000 0.28353849745040 85.468 > 49 54 Rb 0.66666666666667 0.33333333333333 0.04979483588294 85.468 > 50 55 Rb 0.00000000000000 0.00000000000000 0.12747636320773 85.468 > 51 56 Rb 0.66666666666667 0.33333333333333 0.20585697012560 85.468 > 52 57 Rb 0.66666666666667 0.33333333333333 0.61687183078373 85.468 > 49 58 Rb 0.33333333333333 0.66666666666667 0.38312816921627 85.468 > 50 59 Rb 0.66666666666667 0.33333333333333 0.46080969654106 85.468 > 51 60 Rb 0.33333333333333 0.66666666666667 0.53919030345894 85.468 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2464464 0.0000000 0.0000000 0.0000000 2.2464464 0.0000000 0.0000000 0.0000000 2.2426286 -------------------------- Born effective charges -------------------------- 1 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 2 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 3 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 4 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 5 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 6 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 7 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 8 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 9 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 10 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 11 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 12 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 13 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 14 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 15 Ga 2.8095978 0.0000000 -0.0000000 0.0000000 2.8095978 -0.0000000 0.0000000 0.0000000 2.8245001 16 Ga 2.8840405 0.0000000 -0.0000000 0.0000000 2.8840405 -0.0000000 0.0000000 0.0000000 2.8812047 17 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 18 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 19 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 20 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 44, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 00:48:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:48:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.927096356597188 1.689959869425356 9.496071239999988 b -2.927096356597183 1.689959869425356 9.496071239999988 c 0.000000000000003 -3.379919738850717 9.496071239999988 Atomic positions (fractional): 1 Li 0.59590158008699 0.59590158008699 0.59590158008699 6.941 2 Li 0.40409841991301 0.40409841991302 0.40409841991302 6.941 3 F 0.27453848572581 0.80546667498976 0.80546667498976 18.998 4 F 0.72546151427419 0.19453332501024 0.19453332501024 18.998 5 F 0.80546667498976 0.27453848572581 0.80546667498976 18.998 6 F 0.80546667498976 0.80546667498976 0.27453848572581 18.998 7 F 0.19453332501024 0.72546151427420 0.19453332501024 18.998 8 F 0.19453332501024 0.19453332501024 0.72546151427419 18.998 9 F 0.39246540903603 0.39246540903604 0.83781368858908 18.998 10 F 0.39246540903603 0.83781368858908 0.39246540903603 18.998 11 F 0.83781368858908 0.39246540903604 0.39246540903603 18.998 12 F 0.16218631141092 0.60753459096397 0.60753459096397 18.998 13 F 0.60753459096397 0.60753459096397 0.16218631141092 18.998 14 F 0.60753459096397 0.16218631141092 0.60753459096397 18.998 15 Ga 0.50000000000000 0.50000000000000 0.50000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 17 Rb 0.28353849745040 0.28353849745040 0.28353849745040 85.468 18 Rb 0.71646150254960 0.71646150254961 0.71646150254960 85.468 19 Rb 0.12747636320773 0.12747636320773 0.12747636320773 85.468 20 Rb 0.87252363679227 0.87252363679227 0.87252363679227 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.854192713194371 0.000000000000000 0.000000000000000 b -2.927096356597186 5.069879608276073 0.000000000000000 c 0.000000000000000 0.000000000000000 28.488213719999997 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.92923491342032 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.73743175324635 6.941 > 2 3 Li 0.33333333333333 0.66666666666667 0.26256824675365 6.941 > 1 4 Li 0.33333333333333 0.66666666666667 0.07076508657968 6.941 > 2 5 Li 0.00000000000000 0.00000000000000 0.59590158008699 6.941 > 1 6 Li 0.00000000000000 0.00000000000000 0.40409841991301 6.941 > 2 7 F 0.31271454049070 0.15635727024535 0.96182394523511 18.998 > 7 8 F 0.02061879284264 0.51030939642132 0.70484272143156 18.998 > 8 9 F 0.84364272975465 0.15635727024535 0.96182394523511 18.998 > 9 10 F 0.84364272975465 0.68728545950930 0.96182394523511 18.998 > 10 11 F 0.48969060357868 0.51030939642132 0.70484272143156 18.998 > 11 12 F 0.48969060357868 0.97938120715736 0.70484272143156 18.998 > 12 13 F 0.51821724014898 0.03643448029797 0.87424816888705 18.998 > 13 14 F 0.51821724014898 0.48178275985102 0.87424816888705 18.998 > 14 15 F 0.96356551970203 0.48178275985102 0.87424816888705 18.998 > 15 16 F 0.36976781363130 0.18488390681565 0.79241849777962 18.998 > 16 17 F 0.81511609318435 0.63023218636870 0.79241849777962 18.998 > 17 18 F 0.81511609318435 0.18488390681565 0.79241849777962 18.998 > 18 19 F 0.97938120715736 0.48969060357868 0.29515727856844 18.998 > 7 20 F 0.68728545950930 0.84364272975465 0.03817605476489 18.998 > 8 21 F 0.51030939642132 0.48969060357868 0.29515727856844 18.998 > 9 22 F 0.51030939642132 0.02061879284264 0.29515727856844 18.998 > 10 23 F 0.15635727024535 0.84364272975465 0.03817605476489 18.998 > 11 24 F 0.15635727024535 0.31271454049070 0.03817605476489 18.998 > 12 25 F 0.18488390681565 0.36976781363130 0.20758150222038 18.998 > 13 26 F 0.18488390681565 0.81511609318435 0.20758150222038 18.998 > 14 27 F 0.63023218636870 0.81511609318435 0.20758150222038 18.998 > 15 28 F 0.03643448029797 0.51821724014898 0.12575183111295 18.998 > 16 29 F 0.48178275985102 0.96356551970203 0.12575183111295 18.998 > 17 30 F 0.48178275985102 0.51821724014898 0.12575183111295 18.998 > 18 31 F 0.64604787382403 0.82302393691202 0.62849061190178 18.998 > 7 32 F 0.35395212617597 0.17697606308798 0.37150938809822 18.998 > 8 33 F 0.17697606308798 0.82302393691202 0.62849061190178 18.998 > 9 34 F 0.17697606308798 0.35395212617597 0.62849061190178 18.998 > 10 35 F 0.82302393691202 0.17697606308798 0.37150938809822 18.998 > 11 36 F 0.82302393691202 0.64604787382403 0.37150938809822 18.998 > 12 37 F 0.85155057348232 0.70310114696463 0.54091483555372 18.998 > 13 38 F 0.85155057348232 0.14844942651768 0.54091483555372 18.998 > 14 39 F 0.29689885303537 0.14844942651768 0.54091483555372 18.998 > 15 40 F 0.70310114696463 0.85155057348232 0.45908516444628 18.998 > 16 41 F 0.14844942651768 0.29689885303537 0.45908516444628 18.998 > 17 42 F 0.14844942651768 0.85155057348232 0.45908516444628 18.998 > 18 43 Ga 0.66666666666667 0.33333333333333 0.83333333333333 69.723 > 43 44 Ga 0.00000000000000 0.00000000000000 0.00000000000000 69.723 > 44 45 Ga 0.33333333333333 0.66666666666667 0.16666666666667 69.723 > 43 46 Ga 0.66666666666667 0.33333333333333 0.33333333333333 69.723 > 44 47 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 43 48 Ga 0.33333333333333 0.66666666666667 0.66666666666667 69.723 > 44 49 Rb 0.33333333333333 0.66666666666667 0.95020516411706 85.468 > 49 50 Rb 0.00000000000000 0.00000000000000 0.71646150254960 85.468 > 50 51 Rb 0.33333333333333 0.66666666666667 0.79414302987440 85.468 > 51 52 Rb 0.00000000000000 0.00000000000000 0.87252363679227 85.468 > 52 53 Rb 0.00000000000000 0.00000000000000 0.28353849745040 85.468 > 49 54 Rb 0.66666666666667 0.33333333333333 0.04979483588294 85.468 > 50 55 Rb 0.00000000000000 0.00000000000000 0.12747636320773 85.468 > 51 56 Rb 0.66666666666667 0.33333333333333 0.20585697012560 85.468 > 52 57 Rb 0.66666666666667 0.33333333333333 0.61687183078373 85.468 > 49 58 Rb 0.33333333333333 0.66666666666667 0.38312816921627 85.468 > 50 59 Rb 0.66666666666667 0.33333333333333 0.46080969654106 85.468 > 51 60 Rb 0.33333333333333 0.66666666666667 0.53919030345894 85.468 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2464464 0.0000000 0.0000000 0.0000000 2.2464464 0.0000000 0.0000000 0.0000000 2.2426286 -------------------------- Born effective charges -------------------------- 1 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 2 Li 1.1122572 0.0000000 -0.0000000 0.0000000 1.1122572 -0.0000000 0.0000000 0.0000000 1.2082125 3 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 4 F -1.1881450 -0.1533741 0.2066456 -0.1533741 -1.0110438 0.1193069 0.2185072 0.1261552 -1.0690498 5 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 6 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 7 F -1.1881450 0.1533741 -0.2066456 0.1533741 -1.0110438 0.1193069 -0.2185072 0.1261552 -1.0690498 8 F -0.9224932 -0.0000000 0.0000000 0.0000000 -1.2766956 -0.2386138 0.0000000 -0.2523103 -1.0690498 9 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 10 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 11 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 12 F -1.1295651 -0.1064026 -0.2011867 -0.1064026 -1.0067020 -0.1161552 -0.1539909 -0.0889067 -1.1031544 13 F -0.9452705 -0.0000000 -0.0000000 0.0000000 -1.1909967 0.2323104 0.0000000 0.1778134 -1.1031544 14 F -1.1295651 0.1064026 0.2011867 0.1064026 -1.0067020 -0.1161552 0.1539909 -0.0889067 -1.1031544 15 Ga 2.8095978 0.0000000 -0.0000000 0.0000000 2.8095978 -0.0000000 0.0000000 0.0000000 2.8245001 16 Ga 2.8840405 0.0000000 -0.0000000 0.0000000 2.8840405 -0.0000000 0.0000000 0.0000000 2.8812047 17 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 18 Rb 1.2860008 0.0000000 -0.0000000 0.0000000 1.2860008 -0.0000000 0.0000000 0.0000000 1.2421786 19 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 20 Rb 1.2581069 0.0000000 -0.0000000 0.0000000 1.2581069 -0.0000000 0.0000000 0.0000000 1.2133692 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 325, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.397 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.819 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.720 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 19.687 11.366 0.517) 22.738 0.540 ( 22.868 13.203 2.267) 26.502 0.634 ( 26.012 15.018 8.626) 31.251 1.764 ( 4.819 2.782 -0.692) 5.608 1.772 ( 4.941 2.853 -4.471) 7.249 2.251 ( 2.877 1.661 0.264) 3.332 2.257 ( 2.678 1.546 3.122) 4.394 2.475 ( -0.436 -0.251 -0.737) 0.892 2.609 ( 0.259 0.150 1.345) 1.378 2.715 ( 0.193 0.111 -0.543) 0.587 2.733 ( 1.270 0.733 0.750) 1.647 2.766 ( -0.226 -0.130 -1.492) 1.514 2.997 ( -2.389 -1.379 2.770) 3.909 3.070 ( -1.615 -0.932 -0.608) 1.961 3.143 ( 3.191 1.842 0.759) 3.762 3.295 ( -2.830 -1.634 0.429) 3.296 3.363 ( -0.151 -0.087 -0.328) 0.372 3.419 ( -1.270 -0.733 -0.319) 1.501 3.422 ( -1.049 -0.606 0.224) 1.232 3.448 ( 2.365 1.365 0.137) 2.734 3.523 ( -0.196 -0.113 0.829) 0.860 3.918 ( -2.449 -1.414 2.227) 3.599 4.011 ( -0.336 -0.194 -1.017) 1.088 4.303 ( -2.517 -1.453 -12.328) 12.666 5.122 ( 1.112 0.642 0.444) 1.359 5.404 ( 0.374 0.216 1.548) 1.607 5.428 ( 0.698 0.403 -1.201) 1.446 5.808 ( -0.687 -0.397 -1.817) 1.983 5.865 ( -0.132 -0.076 -1.223) 1.232 5.918 ( -0.022 -0.013 -0.101) 0.104 7.080 ( -1.286 -0.742 17.414) 17.477 7.164 ( -1.411 -0.814 -2.249) 2.777 7.185 ( -0.612 -0.353 1.450) 1.613 7.323 ( 2.213 1.278 2.253) 3.407 7.427 ( 1.028 0.593 2.477) 2.747 7.620 ( 0.178 0.103 1.136) 1.154 7.997 ( -1.993 -1.151 0.193) 2.310 8.031 ( 0.622 0.359 0.812) 1.084 8.080 ( 0.589 0.340 -0.818) 1.063 8.393 ( -9.954 -5.747 -0.339) 11.499 8.595 ( -2.190 -1.264 -0.451) 2.568 8.632 ( 1.496 0.864 2.965) 3.432 8.731 ( -0.895 -0.517 3.583) 3.729 8.948 ( 12.292 7.097 -0.022) 14.194 9.301 ( -0.145 -0.084 -2.712) 2.717 10.246 ( -0.158 -0.091 1.636) 1.646 10.251 ( 1.604 0.926 -6.601) 6.856 10.515 ( 2.769 1.599 -2.877) 4.301 11.127 ( -3.125 -1.804 -1.613) 3.952 11.301 ( -0.751 -0.434 9.177) 9.218 11.421 ( -0.372 -0.215 -1.637) 1.692 11.490 ( 4.714 2.722 3.335) 6.384 13.078 ( 0.340 0.197 1.420) 1.474 13.547 ( 2.585 1.492 -6.421) 7.080 13.839 ( -2.449 -1.414 2.495) 3.771 13.963 ( -0.092 -0.053 -0.700) 0.708 15.122 ( -2.187 -1.263 -1.917) 3.171 15.406 ( 0.285 0.164 -14.762) 14.765 15.670 ( 0.014 0.008 0.361) 0.362 15.671 ( -7.773 -4.488 11.094) 14.270 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 18.229 10.525 0.240) 21.051 1.048 ( 20.864 12.046 2.120) 24.185 1.234 ( 23.875 13.784 7.537) 28.580 1.912 ( 8.065 4.656 -1.153) 9.384 1.916 ( 9.032 5.215 -5.677) 11.874 2.328 ( 1.743 1.006 3.296) 3.862 2.341 ( 4.662 2.691 0.540) 5.410 2.459 ( -0.493 -0.285 -0.297) 0.643 2.651 ( 2.934 1.694 2.337) 4.116 2.717 ( 0.163 0.094 -0.882) 0.902 2.755 ( 0.488 0.282 -4.301) 4.338 2.768 ( 0.914 0.528 3.458) 3.616 2.966 ( -0.757 -0.437 0.380) 0.953 2.998 ( -4.392 -2.536 -1.234) 5.220 3.201 ( 0.970 0.560 -0.862) 1.413 3.254 ( -0.941 -0.543 0.785) 1.340 3.356 ( 0.002 0.001 -0.386) 0.386 3.372 ( -2.632 -1.520 -1.082) 3.226 3.392 ( -1.747 -1.009 2.368) 3.111 3.449 ( -1.687 -0.974 1.122) 2.248 3.564 ( 2.864 1.654 1.136) 3.497 3.857 ( -3.494 -2.017 2.867) 4.950 3.995 ( -0.665 -0.384 -1.638) 1.809 4.155 ( -7.317 -4.225 -7.356) 11.203 5.158 ( 1.782 1.029 0.629) 2.152 5.424 ( 0.712 0.411 2.818) 2.935 5.445 ( 1.126 0.650 -1.073) 1.686 5.776 ( -1.234 -0.712 -3.270) 3.567 5.851 ( -1.047 -0.605 0.290) 1.244 5.917 ( -0.065 -0.038 -0.153) 0.170 7.123 ( 0.700 0.404 10.297) 10.329 7.128 ( -0.903 -0.522 -2.543) 2.748 7.188 ( 0.415 0.239 2.546) 2.591 7.382 ( 1.991 1.149 2.668) 3.522 7.467 ( 2.338 1.350 -2.163) 3.459 7.623 ( -0.442 -0.255 1.092) 1.205 7.940 ( -2.822 -1.629 -0.016) 3.258 8.049 ( 0.509 0.294 1.119) 1.264 8.092 ( 0.760 0.439 -1.103) 1.410 8.195 ( -7.242 -4.181 -0.832) 8.403 8.524 ( -3.770 -2.176 0.042) 4.353 8.697 ( 2.845 1.642 5.457) 6.369 8.724 ( -0.421 -0.243 1.585) 1.658 9.207 ( 10.127 5.847 -0.123) 11.694 9.279 ( -0.623 -0.359 -5.106) 5.157 10.249 ( -0.260 -0.150 2.740) 2.756 10.273 ( 2.822 1.630 -9.518) 10.061 10.582 ( 2.821 1.629 2.876) 4.345 11.032 ( -4.565 -2.636 -0.806) 5.332 11.323 ( 0.798 0.461 3.743) 3.855 11.402 ( -0.635 -0.367 -2.681) 2.779 11.654 ( 7.889 4.555 6.002) 10.909 13.095 ( 0.559 0.323 2.321) 2.409 13.590 ( 2.214 1.278 -2.854) 3.831 13.776 ( -3.176 -1.834 1.409) 3.929 13.956 ( -0.161 -0.093 -1.176) 1.190 15.036 ( -4.471 -2.581 -3.892) 6.465 15.349 ( -2.501 -1.444 -4.487) 5.336 15.488 ( -9.343 -5.394 3.024) 11.205 15.671 ( -0.097 -0.056 0.237) 0.262 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 15.835 9.142 -0.097) 18.285 1.497 ( 17.845 10.303 1.880) 20.692 1.760 ( 19.880 11.478 5.624) 23.635 2.104 ( 8.679 5.011 -1.309) 10.106 2.115 ( 8.496 4.905 -3.756) 10.505 2.342 ( -0.124 -0.071 -1.167) 1.175 2.452 ( 4.549 2.626 0.736) 5.304 2.469 ( 0.994 0.574 2.917) 3.135 2.711 ( -0.652 -0.376 -0.817) 1.111 2.730 ( 2.819 1.627 -1.081) 3.430 2.761 ( 0.410 0.237 3.484) 3.516 2.823 ( 4.015 2.318 -0.990) 4.741 2.873 ( -5.700 -3.291 -1.344) 6.718 2.964 ( 0.441 0.255 0.312) 0.597 3.161 ( -3.222 -1.860 -2.241) 4.343 3.246 ( -0.311 -0.180 0.443) 0.571 3.296 ( -3.426 -1.978 -1.637) 4.282 3.322 ( -3.825 -2.208 3.279) 5.500 3.411 ( 2.617 1.511 1.233) 3.264 3.411 ( -1.843 -1.064 2.048) 2.953 3.634 ( 2.756 1.591 1.124) 3.374 3.780 ( -4.307 -2.487 1.414) 5.170 3.931 ( -9.725 -5.615 -5.226) 12.386 3.970 ( -0.913 -0.527 -1.737) 2.032 5.202 ( 1.764 1.019 0.550) 2.110 5.455 ( 0.969 0.559 3.485) 3.660 5.470 ( 1.387 0.801 -1.067) 1.924 5.731 ( -1.498 -0.865 -3.976) 4.336 5.820 ( -1.737 -1.003 0.577) 2.088 5.914 ( -0.113 -0.065 -0.143) 0.193 7.107 ( -0.225 -0.130 -2.309) 2.323 7.179 ( 1.418 0.819 7.393) 7.573 7.225 ( 1.886 1.089 3.224) 3.890 7.425 ( 0.846 0.489 2.654) 2.828 7.514 ( 2.564 1.480 -3.053) 4.253 7.602 ( -1.565 -0.904 0.125) 1.812 7.878 ( -2.363 -1.364 -0.332) 2.749 8.022 ( -4.553 -2.629 -1.749) 5.540 8.085 ( -0.902 -0.521 0.558) 1.182 8.106 ( 0.792 0.457 -0.983) 1.342 8.439 ( -3.592 -2.074 1.441) 4.391 8.725 ( 0.118 0.068 0.619) 0.634 8.795 ( 3.712 2.143 7.115) 8.306 9.234 ( -1.467 -0.847 -6.845) 7.052 9.401 ( 6.891 3.979 -0.300) 7.963 10.253 ( -0.266 -0.154 2.860) 2.876 10.312 ( 3.484 2.011 -9.205) 10.045 10.651 ( 2.161 1.248 2.760) 3.721 10.925 ( -4.840 -2.794 1.878) 5.896 11.367 ( 2.342 1.352 0.914) 2.854 11.376 ( -0.679 -0.392 -2.728) 2.838 11.865 ( 8.106 4.680 6.144) 11.196 13.117 ( 0.572 0.330 2.355) 2.446 13.580 ( -3.099 -1.789 -1.767) 3.991 13.755 ( 1.635 0.944 1.968) 2.727 13.948 ( -0.177 -0.102 -1.235) 1.252 14.895 ( -6.452 -3.725 -4.606) 8.759 15.215 ( -8.210 -4.740 1.170) 9.552 15.353 ( -2.200 -1.270 -2.096) 3.294 15.667 ( -0.279 -0.161 0.135) 0.350 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 11.838 6.834 -0.257) 13.671 1.864 ( 13.430 7.754 1.493) 15.579 2.114 ( 4.386 2.532 -0.731) 5.117 2.212 ( 5.042 2.911 5.378) 7.925 2.267 ( 4.969 2.869 -1.097) 5.842 2.393 ( 4.926 2.844 -5.185) 7.697 2.516 ( 2.352 1.358 2.448) 3.656 2.533 ( 1.929 1.114 0.310) 2.249 2.655 ( -3.975 -2.295 -0.557) 4.623 2.778 ( -1.494 -0.862 -0.551) 1.811 2.779 ( 2.878 1.662 -5.221) 6.189 2.795 ( 0.951 0.549 4.561) 4.692 2.897 ( -0.016 -0.010 3.653) 3.653 3.007 ( 4.309 2.488 -1.766) 5.280 3.091 ( -0.802 -0.463 -0.851) 1.257 3.215 ( -2.641 -1.525 -1.264) 3.301 3.228 ( -4.929 -2.846 3.189) 6.524 3.238 ( -0.670 -0.387 0.025) 0.774 3.386 ( -0.903 -0.521 1.580) 1.893 3.466 ( 0.469 0.271 -1.025) 1.159 3.613 ( -9.127 -5.270 -0.277) 10.543 3.691 ( 1.800 1.039 0.872) 2.254 3.763 ( -3.488 -2.014 -1.548) 4.315 3.944 ( -0.812 -0.469 -1.238) 1.553 5.237 ( 1.082 0.625 0.322) 1.290 5.489 ( 0.916 0.529 2.956) 3.140 5.497 ( 1.117 0.645 -0.752) 1.492 5.686 ( -1.241 -0.716 -3.297) 3.595 5.782 ( -1.486 -0.858 0.411) 1.764 5.911 ( -0.099 -0.057 -0.084) 0.141 7.100 ( 0.127 0.073 -1.469) 1.476 7.234 ( 1.378 0.796 4.287) 4.573 7.284 ( 2.013 1.162 2.782) 3.625 7.440 ( -0.131 -0.076 1.827) 1.833 7.558 ( -0.993 -0.573 1.154) 1.627 7.563 ( 1.474 0.851 -3.709) 4.081 7.837 ( -1.102 -0.636 -0.381) 1.328 7.898 ( -4.716 -2.723 -2.467) 5.979 8.087 ( 0.301 0.174 0.312) 0.467 8.119 ( 0.536 0.309 -0.561) 0.835 8.381 ( -1.960 -1.132 1.812) 2.899 8.731 ( 0.275 0.159 0.145) 0.349 8.907 ( 3.644 2.104 7.368) 8.485 9.166 ( -2.249 -1.298 -7.243) 7.695 9.518 ( 3.514 2.029 -0.287) 4.067 10.256 ( -0.167 -0.097 1.830) 1.840 10.360 ( 2.820 1.628 -6.036) 6.858 10.700 ( 1.896 1.095 -0.520) 2.251 10.829 ( -4.442 -2.564 4.508) 6.828 11.355 ( -0.442 -0.255 -1.713) 1.788 11.427 ( 2.418 1.396 -0.051) 2.792 12.039 ( 5.058 2.920 3.737) 6.934 13.135 ( 0.360 0.208 1.477) 1.534 13.484 ( -3.764 -2.173 -0.971) 4.453 13.828 ( 3.101 1.790 2.138) 4.170 13.941 ( -0.118 -0.068 -0.796) 0.808 14.728 ( -6.120 -3.534 -3.461) 7.869 15.064 ( -4.576 -2.642 0.113) 5.285 15.321 ( -0.626 -0.361 -0.846) 1.112 15.661 ( -0.225 -0.130 0.048) 0.264 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 0.000 -0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 -0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.818 ( -0.000 -0.000 0.000) 0.000 2.875 ( 0.000 0.000 -0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 -0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 -0.000) 0.000 5.250 ( 0.000 0.000 -0.000) 0.000 5.508 ( 0.000 0.000 -0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 -0.000) 0.000 5.910 ( 0.000 0.000 -0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 -0.000) 0.000 7.824 ( 0.000 0.000 -0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 8.092 ( -0.000 -0.000 0.000) 0.000 8.125 ( 0.000 0.000 -0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 -0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 -0.000) 0.000 10.385 ( 0.000 0.000 -0.000) 0.000 10.734 ( -0.000 -0.000 0.000) 0.000 10.770 ( 0.000 0.000 -0.000) 0.000 11.347 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 -0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.435 ( 0.000 0.000 -0.000) 0.000 13.874 ( 0.000 0.000 -0.000) 0.000 13.938 ( 0.000 0.000 -0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.312 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.000 22.265 6.218) 23.117 0.561 ( -0.000 25.634 6.289) 26.394 0.649 ( -0.000 28.124 12.005) 30.579 1.735 ( 0.000 4.996 -5.968) 7.783 1.779 ( 0.000 6.749 -3.383) 7.550 2.249 ( -0.000 2.317 1.761) 2.910 2.271 ( -0.000 3.762 3.790) 5.340 2.472 ( 0.000 -0.437 -1.073) 1.159 2.615 ( -0.000 0.166 2.194) 2.200 2.703 ( 0.000 -1.216 -4.016) 4.196 2.718 ( -0.000 0.361 -0.003) 0.361 2.776 ( -0.000 1.878 -0.058) 1.879 3.019 ( -0.000 -3.750 5.668) 6.796 3.072 ( 0.000 -1.585 -0.149) 1.592 3.141 ( -0.000 2.881 0.432) 2.913 3.295 ( -0.000 -3.462 0.400) 3.485 3.360 ( 0.000 -0.310 -0.676) 0.744 3.416 ( 0.000 -1.237 -0.887) 1.522 3.425 ( -0.000 -0.982 0.737) 1.228 3.453 ( -0.000 2.474 1.014) 2.674 3.517 ( 0.000 -0.442 -0.138) 0.463 3.932 ( -0.000 -2.654 4.504) 5.227 4.007 ( 0.000 -0.190 -1.778) 1.788 4.255 ( 0.000 1.982 -18.761) 18.865 5.124 ( -0.000 1.206 0.797) 1.445 5.395 ( 0.000 -0.143 -0.189) 0.236 5.435 ( -0.000 1.486 0.640) 1.618 5.821 ( -0.000 -0.043 0.675) 0.677 5.837 ( 0.000 -0.164 -5.139) 5.141 5.917 ( 0.000 -0.065 -0.264) 0.272 7.132 ( -0.000 -3.644 10.583) 11.192 7.186 ( -0.000 -0.957 1.819) 2.055 7.198 ( -0.000 -4.056 13.142) 13.753 7.291 ( 0.000 1.632 -3.654) 4.002 7.454 ( -0.000 -1.727 7.976) 8.161 7.627 ( -0.000 0.030 2.777) 2.777 7.999 ( -0.000 -2.166 0.593) 2.245 8.027 ( -0.000 0.443 0.193) 0.483 8.094 ( -0.000 1.158 1.842) 2.176 8.393 ( 0.000 -10.857 -0.004) 10.857 8.589 ( 0.000 -2.829 -1.878) 3.396 8.612 ( 0.000 0.543 -0.701) 0.886 8.763 ( -0.000 -1.615 9.410) 9.548 8.972 ( -0.000 13.973 4.082) 14.558 9.315 ( -0.000 0.813 -0.014) 0.813 10.237 ( -0.000 -0.750 0.117) 0.759 10.287 ( 0.000 4.336 -0.683) 4.390 10.425 ( 0.000 3.590 -16.452) 16.839 11.120 ( 0.000 -4.467 -0.684) 4.519 11.360 ( -0.000 -2.723 14.510) 14.763 11.429 ( 0.000 0.116 -0.189) 0.222 11.483 ( -0.000 4.729 2.706) 5.449 13.072 ( -0.000 -0.053 0.344) 0.348 13.509 ( 0.000 5.427 -11.632) 12.835 13.838 ( -0.000 -4.256 1.747) 4.600 13.965 ( 0.000 0.102 -0.246) 0.266 15.112 ( 0.000 -2.314 -4.123) 4.727 15.337 ( 0.000 3.577 -17.259) 17.626 15.670 ( -0.000 -0.030 0.561) 0.561 15.740 ( -0.000 -10.325 14.652) 17.925 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 9.011 18.769 4.978) 21.407 0.941 ( 11.781 21.707 4.392) 25.085 1.104 ( 14.782 22.681 10.841) 29.163 1.823 ( 5.596 7.297 -6.878) 11.483 1.876 ( 3.668 9.087 -3.920) 10.554 2.300 ( 2.103 1.947 2.452) 3.771 2.349 ( 1.948 4.683 3.989) 6.453 2.458 ( -0.395 -0.855 -0.951) 1.339 2.640 ( 1.195 1.630 2.392) 3.132 2.676 ( 1.058 -1.829 -5.682) 6.062 2.739 ( 1.597 0.802 -0.803) 1.959 2.794 ( -0.814 2.213 1.854) 2.999 2.974 ( -2.282 -2.581 2.663) 4.354 3.051 ( -1.640 -0.705 -1.036) 2.064 3.163 ( 0.593 -0.531 -0.143) 0.809 3.273 ( 0.214 -0.260 0.192) 0.387 3.344 ( -0.362 -1.336 -1.405) 1.973 3.390 ( -1.321 -1.724 -1.352) 2.558 3.406 ( -0.873 -1.569 2.121) 2.779 3.457 ( -0.446 -1.869 0.815) 2.087 3.547 ( 1.808 2.567 1.347) 3.416 3.898 ( -2.354 -3.203 4.822) 6.249 3.995 ( -0.426 -0.090 -2.015) 2.062 4.170 ( -3.309 -4.023 -10.916) 12.096 5.149 ( 1.004 1.512 0.790) 1.980 5.405 ( 1.326 -0.384 0.129) 1.386 5.455 ( -0.028 1.834 1.779) 2.555 5.787 ( -1.793 -0.182 -2.950) 3.457 5.843 ( 0.730 -0.947 -0.653) 1.363 5.915 ( 0.021 -0.145 -0.406) 0.431 7.128 ( -0.655 -0.494 -0.095) 0.825 7.169 ( -1.131 -1.430 10.881) 11.033 7.199 ( -0.220 -0.306 4.959) 4.974 7.342 ( 4.145 0.348 -1.428) 4.397 7.461 ( -0.346 1.642 0.723) 1.828 7.632 ( -0.456 -0.419 2.518) 2.593 7.977 ( -1.489 -1.724 0.549) 2.344 8.014 ( -0.111 -1.166 0.598) 1.316 8.119 ( 0.056 2.460 0.960) 2.641 8.252 ( -5.147 -6.989 0.181) 8.681 8.529 ( -1.733 -4.840 -2.087) 5.548 8.604 ( 0.994 -2.295 3.008) 3.912 8.817 ( 1.055 2.522 6.036) 6.626 9.159 ( 4.923 11.713 2.863) 13.025 9.305 ( -1.951 2.327 -2.756) 4.101 10.206 ( -0.406 0.032 -4.544) 4.563 10.320 ( -1.441 5.777 -2.566) 6.484 10.491 ( 7.287 -1.170 -3.810) 8.306 11.045 ( -2.155 -5.284 -1.199) 5.832 11.351 ( -2.271 -0.331 5.724) 6.167 11.428 ( -0.978 1.964 0.047) 2.195 11.605 ( 5.479 5.250 6.821) 10.203 13.089 ( 1.390 -0.012 1.404) 1.976 13.548 ( 2.527 3.004 -6.348) 7.463 13.781 ( -1.490 -4.997 -0.228) 5.219 13.966 ( -0.125 0.767 -0.649) 1.012 15.047 ( -2.318 -3.585 -5.275) 6.786 15.321 ( 0.853 -0.687 -8.194) 8.267 15.597 ( -8.226 -9.246 8.152) 14.819 15.673 ( -0.159 -0.102 0.443) 0.481 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.537 14.708 3.396) 18.999 1.371 ( 13.658 17.527 3.255) 22.458 1.609 ( 16.385 17.288 8.206) 25.193 2.009 ( 8.810 8.675 -5.312) 13.457 2.043 ( 6.217 9.607 -3.720) 12.033 2.345 ( 0.052 0.088 1.220) 1.224 2.427 ( 1.447 1.747 0.378) 2.299 2.468 ( 2.056 2.612 3.444) 4.787 2.650 ( 1.945 -2.181 -5.521) 6.247 2.725 ( 3.360 2.558 2.531) 4.924 2.773 ( 0.420 3.336 -3.433) 4.805 2.804 ( -0.200 0.116 4.518) 4.524 2.914 ( -2.667 -3.344 0.922) 4.376 2.996 ( -3.222 1.156 -1.390) 3.694 3.152 ( 0.115 -3.308 -0.396) 3.334 3.261 ( -1.657 -0.482 -0.320) 1.755 3.320 ( -2.038 -2.690 -1.703) 3.780 3.340 ( -0.534 -2.071 0.247) 2.153 3.392 ( 0.728 -0.535 2.074) 2.262 3.427 ( -1.002 -2.262 2.100) 3.245 3.615 ( 2.243 2.517 1.621) 3.741 3.829 ( -3.593 -2.860 2.301) 5.136 3.972 ( -2.452 -2.288 -3.465) 4.822 3.995 ( -5.506 -4.978 -5.326) 9.136 5.189 ( 1.453 1.474 0.418) 2.111 5.430 ( 1.874 -0.326 0.382) 1.940 5.482 ( 0.073 1.926 2.298) 2.999 5.742 ( -1.887 -0.174 -3.428) 3.917 5.831 ( -0.756 -1.269 0.342) 1.516 5.912 ( 0.028 -0.227 -0.458) 0.512 7.108 ( -0.743 0.204 -1.518) 1.702 7.199 ( 0.672 -0.272 9.872) 9.899 7.223 ( 0.825 1.006 4.078) 4.280 7.411 ( 3.512 0.613 -0.914) 3.680 7.481 ( 0.776 1.970 -1.854) 2.814 7.616 ( -1.217 -1.333 1.629) 2.431 7.921 ( -3.399 -0.515 0.020) 3.438 8.010 ( 1.341 -3.058 0.459) 3.371 8.106 ( -5.242 -3.724 -0.085) 6.431 8.142 ( -0.904 2.861 -0.811) 3.108 8.437 ( -1.443 -6.251 -0.921) 6.481 8.614 ( 2.845 -5.404 4.072) 7.340 8.895 ( 0.385 6.681 6.183) 9.111 9.273 ( -2.863 3.206 -5.181) 6.732 9.363 ( 4.781 9.243 1.459) 10.508 10.207 ( 2.541 0.180 -6.043) 6.558 10.334 ( -2.149 5.361 -2.751) 6.398 10.585 ( 5.878 -2.299 0.961) 6.384 10.950 ( -2.325 -5.125 -0.024) 5.628 11.330 ( -0.427 -0.940 0.100) 1.038 11.437 ( -1.833 4.495 0.865) 4.930 11.793 ( 7.407 3.844 8.351) 11.806 13.121 ( 1.090 0.865 1.822) 2.293 13.589 ( 0.552 0.948 -3.742) 3.899 13.704 ( 0.262 -5.838 -0.456) 5.862 13.975 ( -0.321 2.557 -0.589) 2.644 14.928 ( -4.462 -4.564 -5.579) 8.477 15.289 ( -1.931 -1.603 -3.530) 4.331 15.375 ( -7.876 -8.119 3.976) 11.990 15.669 ( -0.177 -0.296 0.179) 0.389 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 10.720 11.167 2.387) 15.663 1.761 ( 12.048 14.272 2.447) 18.837 2.027 ( 11.921 10.743 3.056) 16.336 2.206 ( 3.921 5.329 1.590) 6.804 2.229 ( 5.424 8.426 -2.111) 10.241 2.332 ( 1.744 1.544 -4.611) 5.166 2.478 ( 3.114 -0.072 2.653) 4.092 2.551 ( 0.795 4.631 1.410) 4.905 2.657 ( 3.410 -1.911 -4.644) 6.070 2.738 ( -5.533 -0.058 -1.167) 5.655 2.793 ( 1.375 -0.198 5.093) 5.279 2.848 ( -1.699 0.887 0.972) 2.149 2.870 ( 4.375 2.480 -1.469) 5.239 2.982 ( 0.532 1.037 0.444) 1.247 3.093 ( -2.215 -3.288 -0.883) 4.062 3.230 ( -0.946 -1.759 -0.070) 1.999 3.240 ( -2.309 -2.648 -1.239) 3.726 3.276 ( -3.344 -4.520 2.533) 6.167 3.393 ( -0.986 -2.018 1.777) 2.864 3.442 ( 2.762 0.931 0.251) 2.925 3.678 ( 1.478 1.611 1.238) 2.512 3.704 ( -8.064 -5.796 -3.165) 10.423 3.785 ( -4.034 -5.063 -2.114) 6.810 3.958 ( -1.230 0.321 -0.830) 1.519 5.226 ( 1.248 1.078 -0.104) 1.653 5.464 ( 2.045 -0.051 0.515) 2.110 5.507 ( -0.013 1.383 1.793) 2.264 5.700 ( -1.783 0.413 -2.550) 3.138 5.799 ( -1.483 -1.306 0.629) 2.074 5.909 ( 0.054 -0.296 -0.425) 0.521 7.100 ( -0.240 0.766 -0.993) 1.277 7.244 ( 0.891 0.154 7.726) 7.779 7.268 ( 1.579 0.626 2.967) 3.419 7.455 ( 0.361 1.110 0.923) 1.488 7.516 ( 2.681 1.560 -3.275) 4.511 7.582 ( -1.660 -1.103 0.877) 2.177 7.862 ( -2.649 -0.190 -0.486) 2.700 7.946 ( -4.785 -3.050 -1.892) 5.982 8.048 ( 1.756 -2.431 0.649) 3.068 8.138 ( -1.218 1.227 -2.097) 2.718 8.366 ( -0.096 -5.206 0.841) 5.275 8.621 ( 3.702 -7.112 3.407) 8.711 9.002 ( 0.216 8.685 7.293) 11.343 9.223 ( -4.547 3.958 -6.818) 9.101 9.514 ( 2.427 7.393 1.176) 7.869 10.247 ( 3.523 0.739 -4.686) 5.909 10.336 ( -1.728 4.156 -3.527) 5.718 10.646 ( 3.831 -2.615 0.468) 4.662 10.868 ( -2.283 -4.873 3.405) 6.368 11.323 ( 1.361 -1.545 -1.849) 2.767 11.460 ( -1.774 5.661 0.610) 5.964 11.967 ( 6.677 0.529 6.636) 9.429 13.153 ( 0.171 2.113 1.104) 2.391 13.522 ( -4.292 -2.394 -2.347) 5.446 13.713 ( 5.618 -5.106 -0.381) 7.601 14.006 ( -0.705 5.685 0.201) 5.732 14.772 ( -5.715 -5.181 -4.531) 8.947 15.138 ( -7.445 -4.031 1.476) 8.594 15.296 ( 0.815 -3.027 -1.105) 3.323 15.663 ( -0.196 -0.258 0.021) 0.325 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 5.684 6.585 1.706) 8.865 2.057 ( 5.829 10.088 1.232) 11.716 2.118 ( -3.483 0.167 0.835) 3.586 2.301 ( 2.105 2.328 -0.676) 3.210 2.338 ( 0.077 3.511 -0.580) 3.560 2.431 ( 3.009 2.853 -0.483) 4.175 2.542 ( 1.943 1.683 0.035) 2.571 2.580 ( 0.032 2.860 -0.847) 2.983 2.647 ( -3.597 1.639 0.569) 3.994 2.692 ( 3.136 -1.795 -1.046) 3.761 2.824 ( -0.283 -0.792 4.316) 4.397 2.845 ( -0.377 2.430 -3.576) 4.340 2.920 ( -1.795 0.794 3.338) 3.872 3.022 ( 0.823 0.473 -2.722) 2.883 3.094 ( 7.471 -0.150 1.258) 7.577 3.165 ( -2.043 -3.751 1.702) 4.598 3.184 ( -1.441 -2.658 0.718) 3.108 3.221 ( 0.234 -1.228 -0.554) 1.367 3.353 ( -2.226 -3.463 -0.610) 4.162 3.419 ( -4.932 -2.197 -2.364) 5.894 3.546 ( 0.129 -1.792 0.522) 1.870 3.704 ( -0.602 -2.311 -2.155) 3.217 3.718 ( 0.329 0.874 0.362) 1.002 3.943 ( -0.833 0.666 0.347) 1.122 5.248 ( 0.477 0.504 -0.530) 0.873 5.498 ( 1.415 0.163 0.516) 1.515 5.513 ( -0.613 0.104 -0.129) 0.635 5.680 ( -0.984 1.435 0.054) 1.741 5.768 ( -0.839 -0.861 0.635) 1.359 5.906 ( 0.165 -0.290 -0.332) 0.471 7.105 ( -0.116 0.992 0.112) 1.005 7.276 ( -0.622 0.770 2.867) 3.033 7.294 ( 1.300 -2.083 1.790) 3.039 7.457 ( -1.135 0.853 0.470) 1.495 7.553 ( -1.437 0.470 0.264) 1.535 7.575 ( 2.359 1.710 -0.937) 3.061 7.823 ( -1.411 -0.860 -0.800) 1.836 7.849 ( -2.062 -0.499 -1.000) 2.345 8.067 ( 1.981 -1.643 -0.189) 2.581 8.120 ( 0.191 -1.087 -0.860) 1.399 8.331 ( 0.510 -3.237 -0.119) 3.279 8.623 ( 4.083 -8.129 2.230) 9.366 9.104 ( -3.098 8.975 3.006) 9.960 9.160 ( -3.323 4.135 -2.199) 5.742 9.595 ( -1.077 5.825 1.271) 6.059 10.291 ( -0.359 2.966 -0.568) 3.041 10.340 ( 1.848 0.570 -5.512) 5.842 10.680 ( 3.444 -1.574 -2.763) 4.688 10.796 ( -2.471 -4.864 6.242) 8.290 11.331 ( 1.704 -1.469 -0.395) 2.284 11.483 ( -1.814 4.638 -0.717) 5.032 12.061 ( 3.551 -3.259 3.201) 5.786 13.173 ( -1.235 3.220 -0.063) 3.449 13.435 ( -1.704 -1.745 -1.605) 2.920 13.749 ( 5.124 -6.780 -0.455) 8.511 14.052 ( -2.734 7.988 0.082) 8.443 14.636 ( -2.003 -3.870 -1.376) 4.569 15.030 ( -2.510 -1.416 1.250) 3.141 15.285 ( 1.318 -2.402 -0.747) 2.840 15.659 ( -0.080 -0.098 -0.042) 0.133 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -8.942 -2.023 1.175) 9.243 2.046 ( -12.658 -0.488 -0.804) 12.693 2.124 ( 2.329 3.325 2.235) 4.634 2.283 ( -5.749 -1.493 -3.476) 6.882 2.342 ( -2.549 2.519 0.338) 3.600 2.441 ( -1.344 -0.773 0.244) 1.570 2.544 ( -3.616 -0.945 0.547) 3.777 2.586 ( -2.934 2.009 0.278) 3.567 2.643 ( 0.969 3.433 -0.076) 3.568 2.710 ( 1.300 -3.104 2.247) 4.046 2.790 ( -1.757 -1.244 -2.446) 3.259 2.852 ( 0.353 -1.533 -2.344) 2.823 2.908 ( -2.276 5.124 1.928) 5.929 3.049 ( 1.828 -0.174 1.745) 2.533 3.078 ( -4.695 -6.364 -1.566) 8.063 3.153 ( 3.832 -0.499 0.221) 3.871 3.187 ( 2.218 -0.137 0.918) 2.404 3.219 ( 1.330 -0.701 -0.759) 1.684 3.351 ( 2.334 -0.796 -0.766) 2.583 3.444 ( 6.586 4.080 2.247) 8.067 3.530 ( 1.228 -0.825 -2.943) 3.294 3.710 ( 0.808 -0.228 -0.324) 0.900 3.715 ( 1.128 -0.224 -0.526) 1.265 3.949 ( 0.110 0.995 1.341) 1.673 5.247 ( -0.613 -0.007 -0.689) 0.922 5.489 ( -1.158 -0.849 -1.607) 2.155 5.513 ( -0.317 0.241 0.326) 0.515 5.694 ( 0.312 1.515 2.572) 3.001 5.766 ( 0.824 0.062 0.142) 0.838 5.907 ( 0.297 -0.186 -0.206) 0.407 7.113 ( -0.389 0.783 1.596) 1.820 7.247 ( -2.114 -0.986 -1.921) 3.022 7.286 ( -0.751 -1.756 -0.254) 1.927 7.448 ( -0.858 1.142 -1.181) 1.854 7.548 ( 0.126 0.880 -0.493) 1.017 7.588 ( -1.281 -0.633 1.347) 1.963 7.831 ( 1.172 1.112 0.473) 1.684 7.862 ( 3.012 2.089 1.548) 3.979 8.061 ( 0.422 -2.769 -1.101) 3.010 8.134 ( 1.314 0.387 1.558) 2.075 8.317 ( 1.983 -2.601 -2.740) 4.267 8.615 ( 4.000 -8.471 0.720) 9.395 9.040 ( -7.621 5.265 -6.139) 11.113 9.227 ( -0.538 6.596 7.456) 9.969 9.597 ( -4.822 3.711 1.581) 6.287 10.284 ( -2.667 2.639 -1.516) 4.047 10.367 ( 2.071 -0.703 -0.901) 2.366 10.698 ( 0.011 -3.132 -1.524) 3.483 10.760 ( 2.751 -1.506 1.844) 3.638 11.345 ( 1.210 -1.606 2.206) 2.984 11.476 ( -3.033 3.330 -2.016) 4.935 12.042 ( -1.087 -5.769 -0.303) 5.878 13.168 ( -2.624 2.740 -1.057) 3.938 13.439 ( 3.181 0.871 -0.912) 3.422 13.747 ( 3.097 -7.302 -0.772) 7.970 14.046 ( -5.560 5.976 -1.042) 8.229 14.657 ( 5.770 0.589 2.320) 6.247 15.030 ( 2.068 1.123 1.255) 2.667 15.288 ( 1.897 -2.217 -0.251) 2.928 15.659 ( 0.123 0.028 -0.061) 0.141 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -15.625 -4.296 1.132) 16.244 1.742 ( -18.703 -3.576 -1.002) 19.068 1.995 ( -18.238 -5.631 -2.527) 19.254 2.203 ( -2.888 0.864 1.093) 3.207 2.243 ( -9.263 0.051 0.471) 9.275 2.378 ( -4.667 -1.750 3.570) 6.131 2.449 ( -1.136 -2.637 -3.018) 4.165 2.537 ( -5.367 1.244 -0.753) 5.560 2.697 ( 0.174 -2.095 2.804) 3.505 2.734 ( 0.453 -0.627 -4.814) 4.876 2.753 ( 2.530 2.774 0.618) 3.805 2.822 ( -0.328 -0.983 -2.263) 2.489 2.904 ( -3.929 0.060 3.152) 5.037 2.978 ( -0.756 0.622 -0.233) 1.006 3.110 ( 3.808 -0.487 2.500) 4.582 3.225 ( 2.521 -0.300 -0.905) 2.695 3.248 ( 4.968 1.143 -0.957) 5.187 3.262 ( 3.368 1.375 1.465) 3.922 3.369 ( 2.159 -0.538 -2.708) 3.505 3.433 ( -2.595 -2.036 -1.646) 3.686 3.667 ( -2.709 -0.661 -0.580) 2.848 3.716 ( 7.400 4.161 -0.365) 8.497 3.808 ( 9.430 1.299 2.163) 9.762 3.970 ( 0.616 0.848 1.394) 1.744 5.223 ( -1.649 -0.314 -0.573) 1.773 5.453 ( -1.174 -0.866 -1.857) 2.362 5.498 ( -1.535 0.018 0.339) 1.573 5.733 ( 1.215 1.251 3.556) 3.960 5.791 ( 1.824 0.297 -0.877) 2.046 5.911 ( 0.317 -0.068 -0.081) 0.335 7.119 ( -0.375 0.396 2.446) 2.506 7.187 ( -2.608 -0.934 -3.088) 4.148 7.237 ( -1.985 -1.294 -2.779) 3.652 7.437 ( -1.222 1.151 -2.494) 3.007 7.540 ( -1.400 -1.449 0.871) 2.195 7.583 ( 1.082 0.107 1.334) 1.721 7.868 ( 1.385 2.248 0.452) 2.678 7.968 ( 4.578 1.502 2.102) 5.257 8.041 ( 1.409 -2.307 -0.245) 2.714 8.160 ( -1.390 2.727 2.095) 3.709 8.342 ( 5.695 -2.434 -3.552) 7.140 8.599 ( 3.555 -7.635 -0.838) 8.463 8.938 ( -7.467 4.516 -4.352) 9.752 9.292 ( -1.194 4.686 6.002) 7.708 9.516 ( -8.101 1.253 1.505) 8.334 10.254 ( -1.699 0.333 -1.636) 2.382 10.384 ( -1.129 1.666 3.531) 4.064 10.634 ( -1.101 -5.068 -1.943) 5.538 10.843 ( 5.815 0.950 -1.200) 6.013 11.349 ( 0.242 -2.337 2.860) 3.701 11.445 ( -3.229 3.550 -1.748) 5.107 11.917 ( -5.632 -6.021 -2.615) 8.650 13.137 ( -2.441 1.283 -1.654) 3.215 13.533 ( 5.111 2.720 -0.265) 5.796 13.711 ( 1.162 -6.021 -0.914) 6.200 14.004 ( -3.821 3.211 -0.169) 4.993 14.813 ( 8.152 2.448 2.888) 8.988 15.131 ( 6.476 3.773 0.409) 7.506 15.307 ( 2.929 -2.286 0.865) 3.815 15.663 ( 0.286 0.046 -0.079) 0.300 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -19.321 -3.582 0.763) 19.665 1.351 ( -22.467 -3.379 -0.635) 22.728 1.549 ( -25.109 -5.437 -2.883) 25.853 2.045 ( -10.664 -1.559 0.197) 10.779 2.072 ( -10.966 -1.812 2.539) 11.401 2.333 ( -1.548 -0.623 -0.873) 1.883 2.431 ( -5.056 0.197 0.564) 5.091 2.443 ( 0.006 -0.548 -1.045) 1.180 2.680 ( -2.264 -1.524 -0.297) 2.745 2.704 ( 0.556 -0.834 -0.882) 1.335 2.760 ( -1.465 1.125 -3.073) 3.585 2.809 ( -2.568 -0.507 3.209) 4.141 2.910 ( 3.826 -0.487 0.175) 3.861 3.009 ( 0.817 3.900 1.031) 4.116 3.156 ( 2.499 -2.805 0.386) 3.776 3.266 ( 1.367 1.507 0.707) 2.154 3.325 ( 3.300 0.161 -1.769) 3.748 3.342 ( 2.796 1.389 1.875) 3.642 3.375 ( -0.706 -1.005 -1.138) 1.674 3.403 ( 3.248 -0.264 -2.132) 3.894 3.604 ( -3.445 -0.717 -0.426) 3.544 3.807 ( 3.312 1.123 -1.001) 3.638 3.991 ( 0.748 0.388 1.023) 1.325 4.044 ( 11.512 2.355 2.612) 12.037 5.185 ( -2.197 -0.334 -0.330) 2.247 5.422 ( -0.876 -0.539 -1.288) 1.649 5.470 ( -1.640 -0.043 0.313) 1.670 5.778 ( 1.080 1.037 3.080) 3.424 5.821 ( 2.042 -0.214 -1.549) 2.573 5.915 ( 0.217 -0.010 0.001) 0.217 7.123 ( -2.499 -0.589 -3.351) 4.221 7.128 ( 0.224 0.142 2.082) 2.099 7.191 ( -1.181 -0.261 -2.179) 2.492 7.405 ( -2.361 0.185 -2.027) 3.117 7.500 ( -2.071 -1.222 1.447) 2.807 7.608 ( 1.204 -0.092 0.098) 1.212 7.923 ( 1.867 2.576 0.367) 3.203 8.005 ( 1.796 -2.909 -0.434) 3.446 8.111 ( 5.505 1.688 1.120) 5.866 8.151 ( -2.552 1.918 0.852) 3.304 8.435 ( 7.086 -0.576 -1.154) 7.202 8.584 ( 2.657 -5.040 -1.533) 5.900 8.850 ( -5.889 3.269 -2.016) 7.030 9.316 ( -2.252 1.176 2.786) 3.771 9.364 ( -9.975 0.330 1.457) 10.086 10.228 ( -0.455 -0.733 -0.634) 1.071 10.385 ( -3.973 3.491 5.394) 7.555 10.558 ( -0.366 -4.827 -4.487) 6.600 10.954 ( 6.201 0.861 -0.067) 6.261 11.327 ( -1.097 -1.124 0.182) 1.581 11.432 ( -1.522 2.194 0.396) 2.699 11.735 ( -8.100 -3.889 -2.603) 9.354 13.104 ( -1.612 0.240 -1.347) 2.115 13.611 ( -0.096 0.572 0.346) 0.675 13.703 ( 4.590 -1.750 -0.669) 4.958 13.980 ( -1.662 1.235 0.390) 2.107 14.970 ( 6.655 1.378 1.915) 7.061 15.300 ( 6.299 4.358 -1.762) 7.860 15.365 ( 7.271 -1.829 2.659) 7.955 15.668 ( 0.267 -0.002 -0.077) 0.278 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -21.850 -0.000 0.000) 21.850 0.918 ( -25.409 -0.000 0.000) 25.409 1.044 ( -29.039 -0.000 0.000) 29.039 1.866 ( -8.698 -0.000 0.000) 8.698 1.891 ( -9.044 -0.000 0.000) 9.044 2.289 ( -2.759 -0.000 0.000) 2.759 2.323 ( -5.719 -0.000 0.000) 5.719 2.466 ( 1.070 0.000 -0.000) 1.070 2.623 ( -2.215 -0.000 0.000) 2.215 2.714 ( 0.583 0.000 -0.000) 0.583 2.740 ( -0.818 -0.000 0.000) 0.818 2.779 ( -1.236 -0.000 0.000) 1.236 2.959 ( 2.395 0.000 -0.000) 2.395 3.057 ( 1.325 0.000 -0.000) 1.325 3.164 ( 0.152 0.000 -0.000) 0.152 3.272 ( -0.331 -0.000 0.000) 0.331 3.354 ( 1.052 0.000 -0.000) 1.052 3.391 ( 2.536 0.000 -0.000) 2.536 3.398 ( 1.917 0.000 -0.000) 1.917 3.451 ( 2.182 0.000 -0.000) 2.182 3.540 ( -3.071 -0.000 0.000) 3.071 3.868 ( 3.436 0.000 -0.000) 3.436 4.006 ( 0.575 0.000 -0.000) 0.575 4.233 ( 8.205 0.000 -0.000) 8.205 5.145 ( -1.983 -0.000 0.000) 1.983 5.405 ( -0.519 -0.000 0.000) 0.519 5.446 ( -1.245 -0.000 0.000) 1.245 5.805 ( 0.723 0.000 -0.000) 0.723 5.848 ( 1.550 0.000 -0.000) 1.550 5.917 ( 0.097 0.000 -0.000) 0.097 7.071 ( -2.114 -0.000 0.000) 2.114 7.147 ( 1.344 0.000 -0.000) 1.344 7.178 ( 0.001 0.000 -0.000) 0.001 7.354 ( -2.849 -0.000 0.000) 2.849 7.458 ( -2.403 -0.000 0.000) 2.403 7.619 ( 0.172 0.000 -0.000) 0.172 7.974 ( 2.115 0.000 -0.000) 2.115 8.010 ( 0.997 0.000 -0.000) 0.997 8.114 ( -2.297 -0.000 0.000) 2.297 8.251 ( 8.842 0.000 -0.000) 8.842 8.538 ( 5.032 0.000 -0.000) 5.032 8.588 ( 1.452 0.000 -0.000) 1.452 8.786 ( -3.514 -0.000 0.000) 3.514 9.144 ( -12.995 -0.000 0.000) 12.995 9.320 ( -1.078 -0.000 0.000) 1.078 10.224 ( 0.571 0.000 -0.000) 0.571 10.337 ( -4.769 -0.000 0.000) 4.769 10.518 ( -0.310 -0.000 0.000) 0.310 11.062 ( 5.524 0.000 -0.000) 5.524 11.300 ( -1.252 -0.000 0.000) 1.252 11.429 ( -0.364 -0.000 0.000) 0.364 11.572 ( -7.511 -0.000 0.000) 7.511 13.081 ( -0.784 -0.000 0.000) 0.784 13.584 ( -2.010 -0.000 0.000) 2.010 13.782 ( 4.344 0.000 -0.000) 4.344 13.969 ( -0.521 -0.000 0.000) 0.521 15.075 ( 4.406 0.000 -0.000) 4.406 15.386 ( 3.609 0.000 -0.000) 3.609 15.532 ( 9.667 0.000 -0.000) 9.667 15.670 ( 0.033 0.000 -0.000) 0.033 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.000 19.949 7.240) 21.222 1.088 ( -0.000 23.117 5.967) 23.874 1.267 ( -0.000 25.968 10.822) 28.133 1.832 ( 0.000 9.743 -7.579) 12.344 1.931 ( 0.000 11.274 -5.123) 12.383 2.314 ( -0.000 2.251 3.207) 3.918 2.395 ( -0.000 5.200 4.590) 6.936 2.447 ( 0.000 -1.566 -1.244) 2.000 2.622 ( 0.000 -1.853 -7.318) 7.549 2.663 ( -0.000 3.131 2.431) 3.964 2.722 ( 0.000 0.110 -0.405) 0.420 2.837 ( -0.000 3.316 1.197) 3.525 2.997 ( -0.000 -1.645 2.934) 3.364 3.014 ( 0.000 -4.438 0.135) 4.440 3.186 ( 0.000 2.150 -2.227) 3.096 3.246 ( -0.000 -1.567 0.151) 1.575 3.332 ( 0.000 -1.872 -1.205) 2.226 3.370 ( 0.000 -2.364 -2.118) 3.174 3.414 ( -0.000 -1.399 2.674) 3.018 3.430 ( -0.000 -3.522 0.197) 3.528 3.569 ( -0.000 3.687 1.698) 4.059 3.900 ( -0.000 -4.181 5.439) 6.860 3.994 ( 0.000 0.333 -1.827) 1.857 4.114 ( 0.000 -5.891 -10.227) 11.802 5.158 ( -0.000 1.514 0.688) 1.663 5.390 ( 0.000 -0.097 -0.249) 0.267 5.482 ( -0.000 1.980 2.578) 3.250 5.795 ( 0.000 -0.567 -3.828) 3.869 5.825 ( -0.000 -0.195 0.931) 0.951 5.911 ( 0.000 -0.271 -0.637) 0.692 7.139 ( 0.000 0.782 -0.095) 0.787 7.192 ( -0.000 -0.042 3.218) 3.219 7.219 ( -0.000 -3.652 14.626) 15.075 7.291 ( 0.000 1.425 -5.291) 5.479 7.484 ( 0.000 1.927 -0.579) 2.012 7.644 ( -0.000 -0.424 2.603) 2.637 7.952 ( -0.000 -3.095 0.953) 3.239 8.035 ( -0.000 0.133 -0.002) 0.133 8.135 ( -0.000 1.302 2.258) 2.607 8.230 ( -0.000 -6.381 2.350) 6.800 8.475 ( 0.000 -6.515 -4.688) 8.026 8.623 ( 0.000 1.168 -0.829) 1.433 8.822 ( -0.000 0.731 10.095) 10.121 9.259 ( -0.000 11.799 4.133) 12.502 9.335 ( 0.000 1.212 -0.208) 1.230 10.218 ( -0.000 -1.277 0.268) 1.304 10.355 ( 0.000 3.967 -17.907) 18.341 10.403 ( -0.000 3.377 3.761) 5.055 11.001 ( 0.000 -6.427 -0.515) 6.447 11.415 ( -0.000 0.178 7.456) 7.459 11.430 ( 0.000 0.132 -0.374) 0.397 11.654 ( -0.000 9.216 6.083) 11.042 13.073 ( -0.000 -0.094 0.548) 0.556 13.536 ( 0.000 3.221 -6.561) 7.310 13.738 ( 0.000 -5.348 -1.838) 5.655 13.966 ( 0.000 0.187 -0.360) 0.406 15.008 ( 0.000 -4.458 -5.455) 7.045 15.279 ( 0.000 -1.353 -4.835) 5.021 15.596 ( -0.000 -10.468 6.016) 12.074 15.676 ( -0.000 -0.516 0.616) 0.803 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 4.516 17.423 6.873) 19.266 1.396 ( 7.410 20.379 4.826) 22.215 1.621 ( 8.035 21.621 9.030) 24.771 1.961 ( 5.549 11.240 -6.291) 14.025 2.056 ( 3.128 11.968 -5.323) 13.466 2.356 ( 0.606 1.762 3.555) 4.014 2.414 ( -0.429 -2.736 -1.115) 2.986 2.483 ( 2.328 4.987 4.012) 6.811 2.588 ( 0.687 -0.930 -7.157) 7.250 2.719 ( 1.437 3.911 1.578) 4.455 2.745 ( 2.491 0.025 -0.084) 2.493 2.859 ( -1.667 3.019 1.459) 3.745 2.929 ( -2.615 -3.930 1.541) 4.966 3.017 ( 0.858 -1.817 -0.114) 2.012 3.148 ( -2.873 0.017 -1.130) 3.087 3.267 ( 1.033 -0.845 -1.054) 1.701 3.295 ( -0.643 -2.584 -0.817) 2.786 3.332 ( -0.667 -2.476 -2.857) 3.839 3.381 ( -0.644 -2.699 2.052) 3.451 3.416 ( 0.191 -2.522 2.445) 3.518 3.621 ( 1.099 3.233 1.875) 3.896 3.856 ( -2.166 -4.030 3.327) 5.656 3.970 ( -3.386 -6.647 -6.454) 9.864 3.995 ( -0.899 -1.622 -2.687) 3.265 5.183 ( 0.958 1.239 0.189) 1.577 5.401 ( 1.264 -0.004 -0.075) 1.266 5.510 ( -0.100 1.843 2.641) 3.223 5.764 ( -1.594 0.216 -2.549) 3.014 5.828 ( 0.010 -0.764 0.648) 1.002 5.906 ( 0.082 -0.349 -0.715) 0.800 7.131 ( -1.537 1.196 -0.494) 2.009 7.213 ( 0.531 0.116 5.845) 5.870 7.240 ( 0.406 -0.746 8.968) 9.008 7.328 ( 4.383 0.414 -3.689) 5.744 7.499 ( -0.108 2.302 -1.441) 2.718 7.634 ( -1.314 -0.916 1.850) 2.447 7.933 ( 0.824 -2.944 0.596) 3.114 8.002 ( -2.939 -0.543 0.309) 3.004 8.146 ( -2.749 -2.709 0.443) 3.885 8.175 ( -0.503 0.660 2.066) 2.226 8.372 ( -0.801 -8.240 -4.594) 9.468 8.599 ( -2.527 -0.470 2.621) 3.671 8.919 ( 4.201 3.019 8.162) 9.663 9.329 ( -1.620 2.635 -1.819) 3.588 9.413 ( 2.891 10.117 3.305) 11.029 10.180 ( -1.120 0.872 -5.533) 5.712 10.383 ( 3.204 1.910 -9.457) 10.166 10.462 ( 2.796 0.873 2.334) 3.745 10.926 ( -1.586 -5.139 -0.076) 5.379 11.367 ( -3.659 -0.039 0.865) 3.760 11.487 ( 1.832 1.978 3.214) 4.195 11.790 ( 2.101 7.957 7.979) 11.463 13.099 ( 2.394 0.233 0.812) 2.538 13.552 ( 2.121 -0.100 -5.044) 5.473 13.665 ( -2.159 -4.329 -2.213) 5.319 13.980 ( 1.381 1.064 -0.403) 1.789 14.921 ( -2.467 -5.045 -4.901) 7.454 15.256 ( 0.677 -2.145 -2.406) 3.294 15.447 ( -6.938 -9.448 3.686) 12.288 15.670 ( -0.225 -0.393 0.149) 0.477 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 6.687 13.905 5.693) 16.446 1.746 ( 9.519 17.357 3.647) 20.129 1.978 ( 9.013 14.098 3.711) 17.139 2.178 ( 7.774 10.978 -2.213) 13.633 2.227 ( 4.974 11.431 -3.847) 13.047 2.333 ( -2.421 -2.134 -2.371) 4.005 2.433 ( 3.128 0.051 4.284) 5.305 2.576 ( 0.887 0.626 -5.867) 5.966 2.594 ( 2.919 4.892 2.793) 6.344 2.783 ( 1.071 0.570 4.098) 4.273 2.802 ( 4.180 1.445 -2.381) 5.023 2.842 ( -4.787 -0.033 0.167) 4.790 2.861 ( -0.214 -1.197 2.027) 2.364 2.994 ( -1.390 -0.532 -1.537) 2.140 3.105 ( -1.912 -0.684 -0.171) 2.037 3.228 ( -1.337 -2.510 -0.855) 2.970 3.244 ( -1.979 -3.472 -0.847) 4.085 3.281 ( -2.044 -4.110 1.103) 4.720 3.386 ( 1.462 -1.006 -0.836) 1.962 3.402 ( 0.917 -1.641 2.954) 3.501 3.678 ( 1.341 2.373 1.555) 3.138 3.749 ( -6.649 -7.837 -6.398) 12.106 3.788 ( -3.291 -6.240 0.596) 7.080 3.982 ( -1.036 0.836 -0.416) 1.395 5.213 ( 1.328 0.826 -0.434) 1.623 5.430 ( 2.001 0.206 0.206) 2.022 5.530 ( -0.358 1.181 1.699) 2.100 5.733 ( -1.847 1.167 -1.308) 2.547 5.811 ( -1.038 -1.141 0.756) 1.718 5.902 ( 0.104 -0.419 -0.648) 0.778 7.120 ( -1.053 1.658 -0.165) 1.971 7.243 ( 0.945 -1.051 5.540) 5.718 7.277 ( 0.614 0.551 5.999) 6.055 7.411 ( 5.091 1.521 -1.957) 5.662 7.516 ( -0.116 2.209 -1.094) 2.468 7.602 ( -1.635 -0.841 1.128) 2.157 7.909 ( -2.004 -1.109 -0.324) 2.313 7.952 ( -0.721 -2.686 0.234) 2.791 8.046 ( -4.833 -2.367 -0.431) 5.398 8.152 ( -1.938 -1.678 -4.573) 5.242 8.305 ( 1.865 -4.718 0.900) 5.152 8.559 ( -1.356 -3.190 4.230) 5.469 9.061 ( 3.980 5.174 8.026) 10.346 9.308 ( -2.996 3.304 -4.549) 6.371 9.576 ( 2.608 10.465 2.445) 11.059 10.178 ( 2.072 1.902 -8.413) 8.871 10.407 ( -0.472 2.921 -2.892) 4.138 10.524 ( 5.303 -4.095 0.935) 6.765 10.852 ( -1.881 -3.976 0.573) 4.436 11.314 ( -2.152 -0.515 -0.410) 2.250 11.547 ( 0.196 4.662 2.145) 5.136 11.913 ( 2.483 2.555 7.707) 8.491 13.155 ( 2.473 1.783 0.269) 3.061 13.556 ( 1.299 -7.757 -1.606) 8.027 13.580 ( -1.343 0.687 -3.441) 3.757 14.037 ( 2.702 3.697 0.101) 4.580 14.792 ( -4.696 -5.434 -4.148) 8.294 15.236 ( -7.208 -3.933 -0.241) 8.214 15.243 ( -0.251 -5.151 1.208) 5.296 15.663 ( -0.143 -0.335 -0.030) 0.365 ======================= Grid point 26 (19/116) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 5.917 10.101 4.456) 12.526 2.069 ( 7.719 14.218 2.525) 16.374 2.173 ( 0.035 3.659 -0.230) 3.667 2.270 ( 2.096 0.172 -2.683) 3.409 2.373 ( 2.302 6.077 0.033) 6.499 2.406 ( 4.050 6.090 -1.618) 7.491 2.517 ( 3.607 3.103 1.120) 4.888 2.594 ( 1.445 3.370 -2.072) 4.212 2.674 ( 0.049 3.453 0.155) 3.457 2.747 ( -5.023 1.601 1.324) 5.436 2.815 ( 1.780 -1.975 5.152) 5.797 2.854 ( -0.048 -1.387 1.759) 2.241 2.906 ( 4.214 3.651 -4.580) 7.216 2.976 ( 2.866 -2.493 0.214) 3.805 3.060 ( -3.092 1.010 -0.192) 3.259 3.168 ( -2.087 -4.153 0.639) 4.691 3.181 ( -2.234 -3.972 0.795) 4.626 3.198 ( -0.833 -3.548 0.113) 3.647 3.359 ( -1.618 -2.136 0.026) 2.679 3.440 ( 0.083 -1.715 -1.684) 2.405 3.526 ( -3.374 -6.998 -1.964) 8.013 3.691 ( -2.467 -3.503 -2.154) 4.796 3.723 ( 0.717 1.369 0.832) 1.755 3.971 ( -1.203 0.980 0.466) 1.620 5.238 ( 1.047 0.436 -0.805) 1.390 5.471 ( 2.145 0.412 0.443) 2.229 5.529 ( -0.978 0.232 0.068) 1.008 5.719 ( -1.408 1.977 0.103) 2.429 5.781 ( -1.358 -1.148 1.015) 2.047 5.898 ( 0.191 -0.438 -0.516) 0.703 7.126 ( -0.520 1.963 0.341) 2.059 7.257 ( 0.941 -2.613 2.528) 3.755 7.306 ( -0.246 0.804 4.433) 4.513 7.488 ( 0.170 1.659 1.083) 1.989 7.536 ( 1.736 0.854 -0.775) 2.084 7.590 ( 0.004 2.537 0.158) 2.542 7.857 ( -2.992 -0.046 -0.707) 3.075 7.874 ( -3.639 -2.928 -2.605) 5.348 7.996 ( 2.753 -3.368 -0.574) 4.388 8.085 ( -0.578 -3.969 -2.801) 4.892 8.312 ( 0.506 -0.200 0.775) 0.947 8.521 ( 0.295 -5.544 3.748) 6.699 9.200 ( 2.274 5.298 7.897) 9.777 9.260 ( -4.307 3.771 -5.384) 7.859 9.711 ( -0.685 11.151 1.891) 11.331 10.219 ( 4.345 0.738 -8.147) 9.263 10.407 ( -2.839 3.999 -0.282) 4.912 10.569 ( 5.207 -4.651 -0.672) 7.014 10.785 ( -1.358 -5.377 2.517) 6.090 11.287 ( 0.339 -1.279 -0.208) 1.340 11.594 ( -2.426 7.183 0.287) 7.587 11.972 ( 2.679 -4.113 5.262) 7.196 13.214 ( 1.208 3.996 -0.946) 4.280 13.461 ( -3.877 -2.508 -0.810) 4.688 13.589 ( 4.809 -6.000 -1.898) 7.920 14.141 ( 2.258 7.347 0.479) 7.701 14.634 ( -4.831 -6.198 -2.486) 8.242 15.076 ( -4.862 -3.298 1.616) 6.093 15.232 ( 1.190 -2.418 -0.779) 2.805 15.659 ( -0.061 -0.165 -0.080) 0.193 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -3.185 3.150 2.118) 4.955 2.142 ( -0.096 2.353 2.498) 3.433 2.251 ( -5.776 5.632 -0.521) 8.084 2.331 ( 0.151 2.045 -2.139) 2.963 2.358 ( -1.649 -0.565 -2.040) 2.683 2.458 ( 1.433 3.156 0.656) 3.528 2.597 ( -0.037 4.496 -1.259) 4.669 2.648 ( -0.635 3.239 -0.061) 3.302 2.695 ( -4.564 1.917 -0.293) 4.959 2.714 ( -0.386 2.042 3.708) 4.250 2.809 ( -2.034 -3.539 2.027) 4.557 2.818 ( -0.475 -2.374 -2.168) 3.250 2.960 ( 1.777 0.709 -0.240) 1.928 3.020 ( -1.025 1.351 -0.155) 1.703 3.069 ( 3.002 -1.399 -0.876) 3.425 3.104 ( -0.970 -4.065 2.860) 5.064 3.131 ( 2.185 -2.700 0.407) 3.497 3.177 ( 1.154 -2.540 -1.538) 3.186 3.304 ( 2.158 -0.002 -0.168) 2.165 3.380 ( 1.548 -1.043 -0.477) 1.927 3.516 ( -0.432 -1.438 -0.681) 1.649 3.642 ( 2.301 -1.826 -2.184) 3.660 3.735 ( -0.752 0.490 0.021) 0.898 3.967 ( -0.615 0.950 1.018) 1.522 5.249 ( 0.235 0.169 -0.769) 0.821 5.501 ( -0.921 -0.231 -0.279) 0.989 5.512 ( 0.605 0.320 -0.080) 0.689 5.720 ( -0.803 1.557 0.727) 1.897 5.760 ( -0.219 -0.473 1.110) 1.226 5.897 ( 0.385 -0.312 -0.325) 0.593 7.140 ( -0.548 1.803 1.250) 2.261 7.240 ( 0.021 -2.729 -0.377) 2.755 7.307 ( -1.971 0.190 2.244) 2.993 7.477 ( -1.673 1.038 -0.133) 1.973 7.550 ( 0.297 -0.795 0.101) 0.855 7.627 ( -2.093 2.857 -0.583) 3.590 7.817 ( 1.829 1.217 0.601) 2.277 7.847 ( 0.636 0.360 -0.644) 0.974 8.023 ( 1.278 -1.753 -1.519) 2.648 8.044 ( 4.390 -5.824 -0.251) 7.298 8.311 ( -1.748 1.925 -0.806) 2.722 8.489 ( 2.065 -6.814 2.061) 7.412 9.178 ( -5.880 2.755 -4.164) 7.714 9.311 ( 0.787 4.658 5.967) 7.611 9.768 ( -5.875 9.555 2.007) 11.395 10.275 ( 5.128 -1.810 -4.757) 7.225 10.387 ( -4.295 5.288 -0.757) 6.854 10.615 ( 4.681 -2.230 -3.769) 6.410 10.719 ( -0.215 -6.677 5.152) 8.436 11.296 ( 2.155 -1.925 1.050) 3.074 11.599 ( -5.311 7.485 -1.579) 9.313 11.966 ( 2.092 -7.598 2.318) 8.215 13.255 ( -2.401 5.065 -0.794) 5.662 13.398 ( 0.316 -0.717 -1.487) 1.681 13.605 ( 4.924 -6.931 -0.326) 8.508 14.204 ( -5.232 7.276 -1.260) 9.050 14.557 ( 4.414 -4.011 1.121) 6.069 15.021 ( -0.142 -0.646 1.419) 1.566 15.230 ( 1.535 -2.276 -0.697) 2.833 15.657 ( 0.037 -0.026 -0.065) 0.079 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -12.684 -1.079 0.693) 12.748 2.034 ( -17.170 -0.203 -0.476) 17.178 2.210 ( -6.011 1.376 2.844) 6.790 2.251 ( -3.966 2.116 -1.374) 4.701 2.335 ( 0.550 -2.921 -2.590) 3.943 2.469 ( -8.061 2.921 0.842) 8.615 2.525 ( -9.252 -1.285 1.054) 9.401 2.643 ( -4.040 3.181 -0.920) 5.224 2.674 ( 0.975 -0.806 2.824) 3.094 2.712 ( 0.214 0.208 -0.996) 1.040 2.739 ( 0.440 -1.058 -2.291) 2.562 2.806 ( 1.015 -0.536 -0.640) 1.314 2.952 ( -2.488 -4.450 -0.484) 5.121 3.001 ( -0.753 2.295 0.797) 2.544 3.069 ( 1.314 0.840 1.432) 2.117 3.152 ( 4.799 0.046 0.759) 4.858 3.176 ( 3.709 -1.204 -0.408) 3.920 3.204 ( 4.680 -0.308 0.274) 4.698 3.331 ( 0.546 -0.306 -1.151) 1.310 3.455 ( -2.712 -1.392 -0.971) 3.199 3.561 ( 14.005 2.850 0.341) 14.297 3.696 ( 4.538 -0.820 -0.426) 4.631 3.709 ( -2.341 -0.067 -0.219) 2.352 3.975 ( 0.135 0.573 0.761) 0.962 5.243 ( -0.865 0.012 -0.416) 0.960 5.467 ( -1.700 -0.362 -0.670) 1.863 5.520 ( -0.618 0.162 0.171) 0.661 5.734 ( 0.930 0.740 1.307) 1.767 5.768 ( 0.722 0.016 0.020) 0.722 5.902 ( 0.496 -0.116 -0.129) 0.525 7.144 ( -1.059 0.680 1.459) 1.927 7.213 ( -0.868 -0.616 -0.295) 1.105 7.255 ( -3.367 -0.985 -1.319) 3.748 7.464 ( -1.082 0.971 -0.868) 1.693 7.544 ( -0.230 -0.678 0.004) 0.716 7.593 ( -1.882 0.215 0.339) 1.925 7.870 ( 1.345 2.328 0.322) 2.708 7.910 ( 3.803 0.436 0.739) 3.898 8.003 ( 0.779 -1.381 0.689) 1.729 8.125 ( 8.447 -2.053 -0.020) 8.693 8.281 ( -3.032 1.094 -1.623) 3.609 8.479 ( 3.176 -4.742 0.197) 5.711 9.080 ( -6.773 1.812 -2.374) 7.402 9.364 ( -0.599 2.415 3.338) 4.163 9.708 ( -9.632 4.408 1.446) 10.691 10.289 ( -1.313 -0.899 -0.637) 1.714 10.403 ( 1.471 4.665 -1.617) 5.152 10.595 ( -1.228 -5.620 -0.357) 5.763 10.744 ( 5.585 -0.789 0.709) 5.685 11.320 ( 1.812 -1.571 1.594) 2.879 11.554 ( -5.764 4.431 -1.654) 7.456 11.914 ( -1.103 -5.313 0.082) 5.426 13.214 ( -4.935 1.839 -0.516) 5.292 13.462 ( 5.539 2.085 -1.229) 6.045 13.616 ( 3.181 -4.948 0.271) 5.889 14.124 ( -7.134 2.408 -0.875) 7.580 14.685 ( 9.478 0.478 1.483) 9.605 15.065 ( 4.425 1.158 0.980) 4.677 15.238 ( 2.145 -1.939 -0.373) 2.916 15.659 ( 0.164 0.012 -0.038) 0.169 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -16.906 -0.000 0.000) 16.906 1.706 ( -20.501 -0.000 0.000) 20.501 1.923 ( -21.125 -0.000 0.000) 21.125 2.214 ( -8.183 -0.000 0.000) 8.183 2.259 ( -10.159 -0.000 0.000) 10.159 2.377 ( -4.940 -0.000 0.000) 4.940 2.398 ( 1.851 0.000 -0.000) 1.851 2.554 ( -6.963 -0.000 0.000) 6.963 2.684 ( 0.391 0.000 -0.000) 0.391 2.692 ( -0.021 -0.000 0.000) 0.021 2.796 ( -0.598 -0.000 0.000) 0.598 2.831 ( 3.862 0.000 -0.000) 3.862 2.869 ( -3.534 -0.000 0.000) 3.534 3.020 ( 0.728 0.000 -0.000) 0.728 3.100 ( 2.083 0.000 -0.000) 2.083 3.221 ( 3.747 0.000 -0.000) 3.747 3.253 ( 4.889 0.000 -0.000) 4.889 3.298 ( 5.286 0.000 -0.000) 5.286 3.338 ( 1.096 0.000 -0.000) 1.096 3.400 ( -2.262 -0.000 0.000) 2.262 3.658 ( -3.233 -0.000 0.000) 3.233 3.756 ( 3.424 0.000 -0.000) 3.424 3.834 ( 14.506 0.000 -0.000) 14.506 3.985 ( 0.513 0.000 -0.000) 0.513 5.218 ( -1.843 -0.000 0.000) 1.843 5.437 ( -1.388 -0.000 0.000) 1.388 5.499 ( -1.623 -0.000 0.000) 1.623 5.773 ( 2.391 0.000 -0.000) 2.391 5.778 ( 0.724 0.000 -0.000) 0.724 5.909 ( 0.406 0.000 -0.000) 0.406 7.132 ( -0.670 -0.000 0.000) 0.670 7.175 ( -3.821 -0.000 0.000) 3.821 7.204 ( -0.936 -0.000 0.000) 0.936 7.442 ( -1.918 -0.000 0.000) 1.918 7.525 ( -1.378 -0.000 0.000) 1.378 7.587 ( 0.854 0.000 -0.000) 0.854 7.917 ( 1.405 0.000 -0.000) 1.405 7.946 ( 2.410 0.000 -0.000) 2.410 8.042 ( 3.539 0.000 -0.000) 3.539 8.219 ( -3.629 -0.000 0.000) 3.629 8.281 ( 9.483 0.000 -0.000) 9.483 8.508 ( 3.042 0.000 -0.000) 3.042 8.969 ( -6.688 -0.000 0.000) 6.688 9.362 ( -1.634 -0.000 0.000) 1.634 9.553 ( -10.752 -0.000 0.000) 10.752 10.247 ( -2.170 -0.000 0.000) 2.170 10.479 ( 2.861 0.000 -0.000) 2.861 10.505 ( -4.163 -0.000 0.000) 4.163 10.848 ( 6.416 0.000 -0.000) 6.416 11.332 ( 0.127 0.000 -0.000) 0.127 11.489 ( -3.743 -0.000 0.000) 3.743 11.830 ( -5.518 -0.000 0.000) 5.518 13.147 ( -3.467 -0.000 0.000) 3.467 13.583 ( 6.694 0.000 -0.000) 6.694 13.621 ( 0.613 0.000 -0.000) 0.613 14.036 ( -4.157 -0.000 0.000) 4.157 14.850 ( 8.597 0.000 -0.000) 8.597 15.190 ( 8.530 0.000 -0.000) 8.530 15.267 ( 2.878 0.000 -0.000) 2.878 15.663 ( 0.276 0.000 -0.000) 0.276 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 16.391 8.209) 18.332 1.546 ( -0.000 19.203 4.911) 19.821 1.802 ( -0.000 20.458 7.813) 21.899 2.008 ( 0.000 12.483 -5.674) 13.712 2.130 ( 0.000 12.426 -5.972) 13.787 2.375 ( -0.000 -3.046 1.805) 3.541 2.389 ( -0.000 1.029 1.132) 1.530 2.516 ( -0.000 3.504 3.436) 4.908 2.561 ( 0.000 1.384 -6.487) 6.633 2.711 ( 0.000 -0.851 -0.960) 1.283 2.765 ( -0.000 5.094 2.093) 5.508 2.904 ( 0.000 -6.407 0.316) 6.415 2.914 ( -0.000 3.560 1.047) 3.711 2.993 ( -0.000 -0.391 1.946) 1.985 3.188 ( 0.000 0.023 -3.536) 3.536 3.225 ( 0.000 -1.333 -0.115) 1.338 3.282 ( 0.000 -2.544 -0.251) 2.557 3.293 ( 0.000 -2.345 -4.466) 5.044 3.367 ( -0.000 -3.416 2.101) 4.011 3.400 ( -0.000 -1.982 3.110) 3.688 3.650 ( -0.000 2.967 1.786) 3.463 3.843 ( -0.000 -4.636 3.361) 5.726 3.882 ( 0.000 -10.975 -8.006) 13.584 3.999 ( 0.000 1.097 -0.626) 1.263 5.183 ( 0.000 0.659 -0.194) 0.687 5.391 ( 0.000 0.356 -0.029) 0.357 5.537 ( -0.000 1.463 2.268) 2.699 5.775 ( 0.000 0.602 -1.291) 1.424 5.825 ( -0.000 -0.422 0.649) 0.774 5.899 ( 0.000 -0.343 -0.755) 0.830 7.168 ( -0.000 2.133 0.392) 2.169 7.229 ( -0.000 0.514 4.650) 4.678 7.258 ( -0.000 -1.449 10.513) 10.612 7.276 ( 0.000 1.380 -5.467) 5.638 7.513 ( 0.000 1.694 -1.719) 2.413 7.645 ( -0.000 -0.600 1.059) 1.218 7.894 ( -0.000 -3.246 0.551) 3.292 8.031 ( 0.000 -0.428 -0.268) 0.505 8.167 ( -0.000 -3.175 4.730) 5.697 8.172 ( -0.000 1.049 1.477) 1.812 8.276 ( 0.000 -8.423 -7.985) 11.607 8.646 ( 0.000 1.517 -0.341) 1.555 8.930 ( -0.000 2.675 10.332) 10.672 9.357 ( 0.000 1.127 -0.442) 1.211 9.487 ( -0.000 8.315 4.050) 9.249 10.193 ( -0.000 -1.381 0.366) 1.429 10.285 ( 0.000 2.098 -15.859) 15.997 10.476 ( -0.000 -0.058 0.102) 0.117 10.914 ( -0.000 -1.072 2.391) 2.620 11.429 ( 0.000 0.065 -0.460) 0.464 11.458 ( -0.000 0.027 3.512) 3.512 11.906 ( -0.000 10.382 8.058) 13.142 13.075 ( -0.000 -0.104 0.536) 0.546 13.490 ( 0.000 -4.694 -5.526) 7.251 13.659 ( 0.000 0.141 -2.295) 2.299 13.967 ( 0.000 0.216 -0.312) 0.380 14.878 ( 0.000 -5.050 -3.452) 6.117 15.223 ( 0.000 -2.323 -0.390) 2.356 15.424 ( -0.000 -8.852 1.164) 8.928 15.668 ( -0.000 -0.545 0.045) 0.547 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 2.488 13.909 7.828) 16.154 1.794 ( 5.992 16.528 3.873) 18.002 2.021 ( 3.225 12.538 2.034) 13.105 2.166 ( 5.552 12.149 -2.984) 13.687 2.259 ( 2.942 11.750 -4.288) 12.850 2.319 ( -1.043 -4.288 -2.443) 5.045 2.428 ( 0.775 1.501 5.724) 5.968 2.558 ( 0.657 2.063 -2.500) 3.307 2.594 ( 2.882 4.092 0.487) 5.029 2.727 ( 3.413 -1.194 -1.144) 3.793 2.813 ( -1.099 0.725 3.035) 3.308 2.835 ( -0.690 -1.814 0.259) 1.958 2.935 ( -2.187 3.405 -0.056) 4.047 3.002 ( -0.126 0.014 1.161) 1.168 3.138 ( -2.493 -0.455 -2.180) 3.342 3.204 ( -0.259 -3.690 -2.214) 4.311 3.239 ( -1.201 -3.136 0.327) 3.374 3.278 ( -0.298 -1.128 -2.032) 2.343 3.339 ( 0.682 -2.325 0.919) 2.592 3.394 ( -0.075 -1.646 3.285) 3.675 3.688 ( 0.617 1.914 1.260) 2.373 3.709 ( -3.194 -12.198 -6.613) 14.238 3.790 ( -2.105 -4.085 1.220) 4.754 4.005 ( -0.551 1.196 0.005) 1.316 5.195 ( 1.019 0.186 -0.619) 1.207 5.406 ( 1.193 0.521 0.131) 1.308 5.552 ( -0.351 0.850 1.350) 1.634 5.771 ( -1.205 1.323 -0.214) 1.802 5.818 ( -0.513 -0.694 0.561) 1.029 5.894 ( 0.042 -0.325 -0.607) 0.690 7.167 ( -1.971 2.263 0.465) 3.037 7.240 ( -0.053 -1.092 2.884) 3.084 7.289 ( 0.800 0.035 6.877) 6.924 7.334 ( 4.989 2.489 -1.125) 5.688 7.526 ( 0.479 1.408 -1.068) 1.831 7.630 ( -1.526 0.070 0.690) 1.676 7.873 ( 0.956 -3.215 -0.100) 3.356 7.988 ( -3.173 -2.045 0.296) 3.786 8.114 ( -4.570 -1.702 0.974) 4.973 8.138 ( -2.522 -5.061 -7.186) 9.144 8.227 ( 3.396 -1.348 2.125) 4.227 8.615 ( -4.232 0.309 1.836) 4.623 9.047 ( 5.163 3.568 8.628) 10.669 9.356 ( -1.212 1.638 -2.224) 3.016 9.615 ( 4.214 7.357 3.714) 9.256 10.165 ( -0.847 2.073 -6.385) 6.767 10.313 ( 5.693 -1.379 -7.177) 9.264 10.458 ( 0.892 -3.989 -0.296) 4.098 10.903 ( -3.809 2.386 2.866) 5.330 11.368 ( -4.093 -0.016 -0.577) 4.133 11.528 ( 4.532 0.006 2.336) 5.099 12.006 ( -2.673 7.637 7.339) 10.923 13.111 ( 3.552 0.612 0.194) 3.610 13.427 ( 1.686 -7.028 -4.236) 8.377 13.637 ( -2.779 1.358 -1.935) 3.648 14.001 ( 3.523 1.130 -0.151) 3.703 14.796 ( -2.844 -4.620 -2.449) 5.953 15.204 ( 0.194 -2.558 1.026) 2.763 15.299 ( -5.175 -6.169 -0.683) 8.081 15.662 ( -0.102 -0.419 -0.071) 0.437 ======================= Grid point 36 (25/116) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.773 10.917 6.689) 13.348 2.081 ( 7.919 12.936 2.745) 15.414 2.169 ( 5.335 4.944 -3.535) 8.087 2.236 ( -2.355 -3.268 -2.482) 4.731 2.365 ( 4.926 6.391 -0.410) 8.079 2.410 ( 3.052 6.661 -0.912) 7.383 2.495 ( 3.665 3.851 1.425) 5.503 2.597 ( 2.423 2.154 -0.797) 3.339 2.691 ( 1.679 3.946 1.166) 4.444 2.764 ( 0.504 -4.676 2.223) 5.202 2.792 ( 5.200 -0.730 -0.509) 5.276 2.851 ( -2.536 3.951 3.228) 5.698 2.916 ( -2.829 3.788 -1.196) 4.876 2.980 ( -2.638 0.518 -0.552) 2.744 3.100 ( -1.015 -0.000 -1.368) 1.704 3.154 ( -0.752 -3.013 -1.005) 3.264 3.177 ( -1.775 -4.485 0.559) 4.855 3.208 ( -4.045 -3.713 1.237) 5.628 3.357 ( 0.633 -0.386 -2.899) 2.993 3.396 ( 1.802 -1.365 3.279) 3.983 3.496 ( -4.363 -10.870 -4.686) 12.615 3.704 ( -2.980 -2.849 -0.788) 4.197 3.726 ( 0.520 0.947 0.824) 1.359 4.003 ( -1.074 0.994 0.440) 1.528 5.215 ( 1.451 0.012 -0.748) 1.632 5.440 ( 2.015 0.509 0.234) 2.092 5.549 ( -0.957 0.275 0.301) 1.040 5.762 ( -1.415 1.708 0.076) 2.219 5.797 ( -1.253 -0.903 0.920) 1.797 5.889 ( 0.049 -0.344 -0.447) 0.566 7.163 ( -1.207 2.268 0.173) 2.575 7.233 ( 0.049 -2.105 2.058) 2.944 7.326 ( 0.583 0.554 4.472) 4.543 7.452 ( 5.184 2.188 0.380) 5.640 7.552 ( 0.444 2.302 0.594) 2.418 7.611 ( -1.137 1.334 0.490) 1.820 7.850 ( 0.071 -3.568 -1.798) 3.996 7.912 ( -0.875 -4.201 -0.355) 4.306 7.961 ( -6.669 -2.705 -4.626) 8.555 8.075 ( -2.173 -1.075 -0.666) 2.514 8.281 ( 3.030 -0.290 1.226) 3.282 8.541 ( -4.483 -1.294 2.786) 5.435 9.204 ( 5.025 3.259 7.803) 9.837 9.329 ( -2.552 1.893 -4.341) 5.380 9.789 ( 5.205 8.513 2.899) 10.390 10.160 ( 0.092 2.262 -8.755) 9.043 10.385 ( 6.723 -2.712 -0.467) 7.265 10.444 ( 2.882 -4.377 -0.438) 5.259 10.837 ( -7.029 1.328 1.373) 7.283 11.303 ( -2.815 -0.335 -0.241) 2.845 11.624 ( 4.926 1.626 1.334) 5.356 12.003 ( -5.730 1.889 4.963) 7.812 13.197 ( 4.250 2.999 -1.215) 5.342 13.392 ( 3.871 -7.380 -0.809) 8.373 13.574 ( -4.887 0.516 -1.909) 5.272 14.112 ( 6.776 3.390 0.290) 7.583 14.669 ( -5.982 -4.449 -1.829) 7.676 15.132 ( -5.228 -4.491 1.383) 7.029 15.205 ( -0.330 -0.848 -0.964) 1.325 15.657 ( -0.009 -0.200 -0.091) 0.220 ======================= Grid point 37 (26/116) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.757 6.233 4.042) 7.468 2.158 ( 0.645 -3.021 -1.510) 3.439 2.235 ( 2.606 1.609 -2.057) 3.690 2.361 ( 4.172 7.364 0.243) 8.467 2.440 ( -1.621 0.044 3.003) 3.413 2.451 ( 1.831 4.455 -1.625) 5.084 2.619 ( 2.632 4.555 -3.765) 6.469 2.664 ( 5.129 -1.580 -0.117) 5.368 2.704 ( -3.226 2.562 0.084) 4.121 2.758 ( 2.277 -4.254 2.884) 5.622 2.827 ( -3.694 2.848 -1.694) 4.962 2.848 ( -2.974 -0.791 5.608) 6.397 2.960 ( 3.807 4.257 -0.872) 5.777 2.972 ( 1.276 3.719 -0.489) 3.962 3.070 ( -1.289 -2.883 -1.056) 3.330 3.089 ( -3.550 -3.135 0.347) 4.749 3.108 ( -1.386 -2.887 0.549) 3.250 3.130 ( 0.150 -2.562 -0.185) 2.573 3.277 ( -2.037 -4.341 -2.184) 5.269 3.373 ( -1.522 -1.078 0.288) 1.887 3.472 ( 4.478 -0.498 0.128) 4.507 3.620 ( -2.716 -1.774 -1.478) 3.565 3.745 ( 0.154 0.475 0.206) 0.540 3.993 ( -1.107 0.570 0.479) 1.334 5.236 ( 1.129 0.018 -0.483) 1.228 5.483 ( 2.188 0.342 0.236) 2.227 5.528 ( -1.597 -0.050 -0.229) 1.614 5.754 ( -1.449 1.307 -0.647) 2.056 5.770 ( -0.987 -0.755 1.524) 1.967 5.888 ( 0.243 -0.220 -0.233) 0.402 7.172 ( -0.483 2.231 0.143) 2.287 7.214 ( -0.155 -2.468 0.866) 2.620 7.345 ( -0.628 0.454 2.134) 2.270 7.518 ( 1.171 0.188 0.440) 1.265 7.544 ( -3.388 0.847 0.548) 3.535 7.675 ( 2.670 4.246 0.338) 5.027 7.796 ( -0.118 -2.189 -2.213) 3.115 7.851 ( -2.158 -0.199 -0.747) 2.292 7.890 ( 3.309 -4.994 -1.084) 6.088 8.028 ( -1.955 -0.743 -0.243) 2.105 8.334 ( 2.437 1.338 -0.326) 2.799 8.458 ( -4.005 -2.705 2.102) 5.270 9.267 ( -3.729 0.661 -0.456) 3.815 9.329 ( 2.720 2.436 1.955) 4.142 9.951 ( -0.725 10.414 3.395) 10.978 10.140 ( 3.333 -4.344 -6.293) 8.342 10.464 ( 2.082 0.867 -0.118) 2.259 10.489 ( 6.650 -1.556 -0.373) 6.840 10.712 ( -6.366 -2.550 0.959) 6.924 11.270 ( -0.469 -0.547 0.281) 0.774 11.729 ( 2.241 6.093 -0.969) 6.564 11.897 ( -5.208 -5.434 2.994) 8.100 13.291 ( 2.771 4.339 -2.144) 5.577 13.412 ( 3.414 -3.359 2.995) 5.649 13.477 ( -3.044 -2.659 -2.653) 4.835 14.287 ( 7.005 6.463 0.117) 9.531 14.498 ( -6.778 -5.908 -0.586) 9.011 15.035 ( -2.582 -1.445 0.643) 3.028 15.197 ( 0.345 -0.767 -0.294) 0.891 15.656 ( 0.042 -0.047 -0.048) 0.080 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -8.054 -0.000 0.000) 8.054 2.214 ( 4.815 0.000 -0.000) 4.815 2.266 ( 1.183 0.000 -0.000) 1.183 2.298 ( -12.219 -0.000 0.000) 12.219 2.363 ( -4.213 -0.000 0.000) 4.213 2.598 ( 0.659 0.000 -0.000) 0.659 2.631 ( 0.707 0.000 -0.000) 0.707 2.683 ( -0.042 -0.000 0.000) 0.042 2.709 ( -3.920 -0.000 0.000) 3.920 2.716 ( -3.834 -0.000 0.000) 3.834 2.764 ( 0.105 0.000 -0.000) 0.105 2.769 ( -4.935 -0.000 0.000) 4.935 2.973 ( -3.533 -0.000 0.000) 3.533 3.030 ( -0.744 -0.000 0.000) 0.744 3.057 ( 2.683 0.000 -0.000) 2.683 3.081 ( 4.823 0.000 -0.000) 4.823 3.106 ( 1.668 0.000 -0.000) 1.668 3.127 ( 2.394 0.000 -0.000) 2.394 3.313 ( 4.533 0.000 -0.000) 4.533 3.368 ( 5.078 0.000 -0.000) 5.078 3.494 ( -2.116 -0.000 0.000) 2.116 3.615 ( 3.818 0.000 -0.000) 3.818 3.739 ( -1.169 -0.000 0.000) 1.169 3.982 ( -0.531 -0.000 0.000) 0.531 5.248 ( 0.235 0.000 -0.000) 0.235 5.496 ( -1.913 -0.000 0.000) 1.913 5.516 ( 1.211 0.000 -0.000) 1.211 5.736 ( -0.773 -0.000 0.000) 0.773 5.764 ( -0.028 -0.000 0.000) 0.028 5.892 ( 0.472 0.000 -0.000) 0.472 7.174 ( -1.401 -0.000 0.000) 1.401 7.202 ( 0.790 0.000 -0.000) 0.790 7.316 ( -3.378 -0.000 0.000) 3.378 7.490 ( -2.084 -0.000 0.000) 2.084 7.537 ( 0.562 0.000 -0.000) 0.562 7.651 ( -4.337 -0.000 0.000) 4.337 7.847 ( 2.908 0.000 -0.000) 2.908 7.871 ( 1.875 0.000 -0.000) 1.875 7.945 ( 8.909 0.000 -0.000) 8.909 7.998 ( -0.798 -0.000 0.000) 0.798 8.362 ( -4.755 -0.000 0.000) 4.755 8.398 ( 3.314 0.000 -0.000) 3.314 9.189 ( -5.477 -0.000 0.000) 5.477 9.379 ( 1.001 0.000 -0.000) 1.001 9.904 ( -9.296 -0.000 0.000) 9.296 10.219 ( 7.219 0.000 -0.000) 7.219 10.464 ( -3.904 -0.000 0.000) 3.904 10.561 ( 2.030 0.000 -0.000) 2.030 10.655 ( 3.141 0.000 -0.000) 3.141 11.280 ( 1.815 0.000 -0.000) 1.815 11.705 ( -8.778 -0.000 0.000) 8.778 11.858 ( 3.884 0.000 -0.000) 3.884 13.321 ( -5.156 -0.000 0.000) 5.156 13.389 ( 2.722 0.000 -0.000) 2.722 13.514 ( 5.721 0.000 -0.000) 5.721 14.285 ( -9.957 -0.000 0.000) 9.957 14.512 ( 10.777 0.000 -0.000) 10.777 15.020 ( 1.240 0.000 -0.000) 1.240 15.202 ( 0.949 0.000 -0.000) 0.949 15.657 ( 0.075 0.000 -0.000) 0.075 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.000 11.921 8.253) 14.498 1.902 ( -0.000 13.617 2.802) 13.902 2.084 ( 0.000 4.154 -2.748) 4.980 2.221 ( 0.000 11.019 -2.251) 11.246 2.280 ( 0.000 -1.670 -2.709) 3.182 2.340 ( -0.000 9.107 -0.235) 9.110 2.448 ( -0.000 0.294 3.411) 3.423 2.551 ( -0.000 -2.094 1.010) 2.325 2.631 ( 0.000 9.023 -0.898) 9.067 2.671 ( 0.000 -2.657 -0.602) 2.725 2.796 ( 0.000 -3.666 0.168) 3.670 2.885 ( -0.000 5.315 2.860) 6.036 2.987 ( 0.000 3.435 -0.438) 3.463 3.014 ( -0.000 1.527 1.472) 2.121 3.143 ( 0.000 -2.044 -2.584) 3.295 3.161 ( 0.000 -3.384 -1.319) 3.632 3.215 ( 0.000 -3.831 -0.771) 3.908 3.266 ( 0.000 1.638 -3.162) 3.561 3.322 ( -0.000 -2.956 2.805) 4.075 3.393 ( -0.000 -1.113 2.748) 2.965 3.584 ( 0.000 -13.265 -5.802) 14.478 3.705 ( -0.000 1.505 0.962) 1.786 3.774 ( -0.000 -3.372 0.406) 3.397 4.023 ( -0.000 1.144 0.283) 1.178 5.183 ( 0.000 -0.187 -0.646) 0.673 5.402 ( -0.000 0.568 0.139) 0.585 5.566 ( -0.000 0.476 0.838) 0.964 5.794 ( -0.000 1.138 0.453) 1.224 5.818 ( -0.000 -0.427 0.162) 0.457 5.890 ( 0.000 -0.156 -0.386) 0.417 7.219 ( -0.000 1.908 1.262) 2.288 7.236 ( 0.000 -0.727 -0.294) 0.784 7.305 ( -0.000 0.163 5.762) 5.764 7.305 ( -0.000 2.422 0.607) 2.497 7.528 ( 0.000 0.623 -0.527) 0.816 7.655 ( -0.000 1.989 0.670) 2.099 7.836 ( 0.000 -2.477 -0.142) 2.481 7.964 ( 0.000 -8.265 -2.183) 8.548 8.106 ( 0.000 0.056 -6.406) 6.406 8.152 ( -0.000 -2.293 4.090) 4.689 8.196 ( -0.000 0.644 0.575) 0.864 8.672 ( -0.000 1.084 0.058) 1.086 9.053 ( -0.000 2.753 7.356) 7.854 9.372 ( 0.000 0.677 -0.396) 0.784 9.639 ( -0.000 4.440 3.106) 5.419 10.172 ( -0.000 -0.924 0.276) 0.964 10.234 ( 0.000 3.669 -13.510) 14.000 10.391 ( -0.000 -7.040 0.886) 7.095 10.996 ( -0.000 5.020 3.925) 6.373 11.427 ( 0.000 0.008 -0.327) 0.327 11.458 ( -0.000 -1.314 0.364) 1.364 12.138 ( -0.000 7.101 6.202) 9.428 13.077 ( -0.000 -0.070 0.324) 0.332 13.335 ( 0.000 -5.751 -4.189) 7.114 13.671 ( 0.000 1.375 -1.220) 1.838 13.970 ( 0.000 0.149 -0.168) 0.224 14.776 ( 0.000 -3.385 -1.139) 3.572 15.189 ( -0.000 -1.455 2.010) 2.482 15.282 ( 0.000 -4.949 -2.239) 5.432 15.658 ( 0.000 -0.392 -0.084) 0.401 ======================= Grid point 46 (29/116) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 1.695 9.106 7.118) 11.682 2.068 ( 3.780 3.681 -1.127) 5.395 2.095 ( 4.426 1.924 -3.119) 5.746 2.255 ( -1.215 0.582 -0.956) 1.652 2.347 ( 3.762 5.874 -0.460) 6.991 2.423 ( 1.381 3.830 0.486) 4.100 2.472 ( 2.244 1.238 0.767) 2.675 2.538 ( 1.812 -3.306 -0.539) 3.808 2.675 ( 3.277 -2.841 0.063) 4.337 2.739 ( 1.847 7.506 1.157) 7.816 2.760 ( -0.860 -1.024 0.238) 1.358 2.938 ( -1.148 4.269 3.269) 5.498 2.993 ( -2.029 2.827 -1.744) 3.892 3.035 ( -1.276 1.922 1.128) 2.567 3.098 ( -0.990 -1.431 -1.953) 2.615 3.133 ( 0.024 -1.888 -0.828) 2.061 3.169 ( -1.758 -2.316 0.853) 3.030 3.251 ( -3.283 -1.288 -0.182) 3.531 3.314 ( 2.004 -0.222 -0.883) 2.201 3.370 ( -0.134 -6.357 -0.403) 6.372 3.445 ( -1.815 -5.223 -1.701) 5.786 3.720 ( -0.566 -0.201 0.116) 0.612 3.732 ( -1.071 -1.041 0.147) 1.501 4.027 ( -0.625 0.656 0.280) 0.948 5.189 ( 1.112 -0.163 -0.438) 1.206 5.417 ( 1.166 0.343 0.102) 1.219 5.566 ( -0.568 0.173 0.285) 0.659 5.797 ( -0.910 0.919 0.118) 1.298 5.809 ( -0.683 -0.445 0.388) 0.903 5.887 ( -0.103 -0.116 -0.201) 0.254 7.210 ( -1.880 1.730 -0.728) 2.657 7.227 ( -0.481 -1.290 1.590) 2.103 7.330 ( 0.763 0.278 2.825) 2.939 7.381 ( 5.033 1.520 0.397) 5.272 7.543 ( 1.503 0.474 0.147) 1.582 7.676 ( -2.016 4.316 1.958) 5.151 7.814 ( -0.299 -2.541 -1.262) 2.853 7.854 ( -0.654 -7.512 -3.054) 8.136 8.052 ( -5.286 0.423 -2.461) 5.846 8.117 ( -2.562 -0.323 1.189) 2.843 8.231 ( 2.668 -0.117 0.850) 2.802 8.630 ( -4.932 0.228 0.674) 4.983 9.155 ( 5.750 1.867 4.483) 7.527 9.362 ( -1.472 0.478 -1.484) 2.144 9.740 ( 6.276 2.815 1.934) 7.145 10.178 ( 0.057 2.654 -3.800) 4.635 10.256 ( 3.678 0.093 -4.231) 5.607 10.345 ( 2.235 -5.755 1.420) 6.335 10.996 ( -6.344 3.109 1.930) 7.324 11.360 ( -3.981 -0.227 -0.598) 4.032 11.527 ( 5.955 -0.696 0.643) 6.030 12.159 ( -5.717 3.280 3.223) 7.336 13.126 ( 5.240 0.779 -0.078) 5.298 13.285 ( 1.016 -3.967 -1.911) 4.519 13.651 ( -3.239 0.669 -0.676) 3.376 14.018 ( 5.380 0.552 -0.013) 5.408 14.718 ( -3.447 -1.950 -0.589) 4.004 15.174 ( -2.508 -1.685 2.593) 3.982 15.209 ( -1.706 -1.472 -2.699) 3.516 15.655 ( 0.027 -0.173 -0.058) 0.184 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 2.091 0.000 -0.000) 2.091 2.071 ( 2.957 0.000 -0.000) 2.957 2.241 ( -0.809 -0.000 0.000) 0.809 2.284 ( 10.006 0.000 -0.000) 10.006 2.414 ( 1.873 0.000 -0.000) 1.873 2.458 ( 0.836 0.000 -0.000) 0.836 2.554 ( 2.422 0.000 -0.000) 2.422 2.586 ( 8.190 0.000 -0.000) 8.190 2.689 ( 0.204 0.000 -0.000) 0.204 2.761 ( 0.691 0.000 -0.000) 0.691 2.826 ( 2.392 0.000 -0.000) 2.392 2.924 ( -3.420 -0.000 0.000) 3.420 2.969 ( -1.517 -0.000 0.000) 1.517 3.027 ( -1.027 -0.000 0.000) 1.027 3.063 ( -3.020 -0.000 0.000) 3.020 3.116 ( -0.707 -0.000 0.000) 0.707 3.121 ( -1.686 -0.000 0.000) 1.686 3.159 ( -4.940 -0.000 0.000) 4.940 3.285 ( -2.480 -0.000 0.000) 2.480 3.384 ( 4.808 0.000 -0.000) 4.808 3.400 ( -1.847 -0.000 0.000) 1.847 3.666 ( -3.449 -0.000 0.000) 3.449 3.741 ( 0.635 0.000 -0.000) 0.635 4.016 ( -1.092 -0.000 0.000) 1.092 5.211 ( 1.549 0.000 -0.000) 1.549 5.447 ( 2.031 0.000 -0.000) 2.031 5.552 ( -1.191 -0.000 0.000) 1.191 5.785 ( -1.060 -0.000 0.000) 1.060 5.788 ( -1.485 -0.000 0.000) 1.485 5.884 ( -0.019 -0.000 0.000) 0.019 7.196 ( -0.821 -0.000 0.000) 0.821 7.210 ( -0.731 -0.000 0.000) 0.731 7.350 ( 0.582 0.000 -0.000) 0.582 7.472 ( 3.942 0.000 -0.000) 3.942 7.605 ( 5.390 0.000 -0.000) 5.390 7.644 ( -5.446 -0.000 0.000) 5.446 7.772 ( 0.349 0.000 -0.000) 0.349 7.828 ( 0.695 0.000 -0.000) 0.695 7.941 ( -6.694 -0.000 0.000) 6.694 8.069 ( -2.925 -0.000 0.000) 2.925 8.283 ( 3.272 0.000 -0.000) 3.272 8.540 ( -5.534 -0.000 0.000) 5.534 9.274 ( 5.289 0.000 -0.000) 5.289 9.325 ( -2.656 -0.000 0.000) 2.656 9.902 ( 9.664 0.000 -0.000) 9.664 10.146 ( -4.427 -0.000 0.000) 4.427 10.353 ( 8.027 0.000 -0.000) 8.027 10.382 ( 4.727 0.000 -0.000) 4.727 10.866 ( -10.032 -0.000 0.000) 10.032 11.298 ( -2.842 -0.000 0.000) 2.842 11.641 ( 7.288 0.000 -0.000) 7.288 12.042 ( -9.617 -0.000 0.000) 9.617 13.256 ( 8.315 0.000 -0.000) 8.315 13.278 ( 1.459 0.000 -0.000) 1.459 13.573 ( -5.913 -0.000 0.000) 5.913 14.152 ( 9.314 0.000 -0.000) 9.314 14.614 ( -7.396 -0.000 0.000) 7.396 15.091 ( -4.668 -0.000 0.000) 4.668 15.193 ( -0.194 -0.000 0.000) 0.194 15.655 ( 0.065 0.000 -0.000) 0.065 ======================= Grid point 58 (31/116) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 0.000 -0.000) 0.000 2.026 ( -0.000 0.000 0.000) 0.000 2.069 ( -0.000 0.000 0.000) 0.000 2.267 ( -0.000 0.000 0.000) 0.000 2.347 ( -0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 -0.000) 0.000 2.457 ( -0.000 0.000 0.000) 0.000 2.501 ( -0.000 0.000 0.000) 0.000 2.627 ( -0.000 0.000 0.000) 0.000 2.766 ( -0.000 0.000 0.000) 0.000 2.766 ( -0.000 0.000 0.000) 0.000 2.985 ( -0.000 0.000 0.000) 0.000 3.010 ( 0.000 -0.000 -0.000) 0.000 3.054 ( 0.000 0.000 -0.000) 0.000 3.100 ( -0.000 -0.000 0.000) 0.000 3.119 ( -0.000 0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 -0.000) 0.000 3.292 ( -0.000 0.000 0.000) 0.000 3.296 ( 0.000 -0.000 -0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 -0.000) 0.000 3.738 ( -0.000 0.000 0.000) 0.000 4.037 ( -0.000 0.000 0.000) 0.000 5.177 ( -0.000 0.000 0.000) 0.000 5.409 ( -0.000 0.000 0.000) 0.000 5.573 ( -0.000 0.000 0.000) 0.000 5.809 ( -0.000 0.000 0.000) 0.000 5.814 ( -0.000 0.000 0.000) 0.000 5.887 ( -0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 -0.000) 0.000 7.244 ( -0.000 0.000 0.000) 0.000 7.329 ( -0.000 0.000 0.000) 0.000 7.336 ( -0.000 0.000 0.000) 0.000 7.531 ( -0.000 0.000 0.000) 0.000 7.760 ( 0.000 -0.000 -0.000) 0.000 7.770 ( -0.000 0.000 0.000) 0.000 7.808 ( -0.000 0.000 0.000) 0.000 8.105 ( -0.000 -0.000 0.000) 0.000 8.140 ( 0.000 0.000 -0.000) 0.000 8.205 ( -0.000 0.000 0.000) 0.000 8.684 ( -0.000 0.000 0.000) 0.000 9.111 ( -0.000 0.000 0.000) 0.000 9.377 ( -0.000 0.000 0.000) 0.000 9.696 ( -0.000 0.000 0.000) 0.000 10.164 ( -0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 -0.000) 0.000 10.291 ( -0.000 -0.000 0.000) 0.000 11.077 ( 0.000 0.000 -0.000) 0.000 11.425 ( -0.000 0.000 0.000) 0.000 11.437 ( -0.000 0.000 0.000) 0.000 12.236 ( -0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 -0.000) 0.000 13.255 ( -0.000 0.000 0.000) 0.000 13.682 ( -0.000 0.000 0.000) 0.000 13.970 ( -0.000 0.000 0.000) 0.000 14.737 ( -0.000 0.000 0.000) 0.000 15.199 ( -0.000 0.000 0.000) 0.000 15.206 ( 0.000 -0.000 -0.000) 0.000 15.653 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 116 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 0.000 -0.000 21.391) 21.391 0.226 ( 0.000 -0.000 21.391) 21.391 0.370 ( 0.000 -0.000 37.320) 37.320 1.670 ( 0.000 0.000 -7.151) 7.151 1.670 ( 0.000 0.000 -7.151) 7.151 2.241 ( 0.000 -0.000 4.246) 4.246 2.241 ( 0.000 -0.000 4.246) 4.246 2.473 ( -0.000 0.000 -1.222) 1.222 2.630 ( 0.000 -0.000 2.044) 2.044 2.711 ( -0.000 0.000 -0.473) 0.473 2.711 ( -0.000 0.000 -0.473) 0.473 2.750 ( -0.000 0.000 -3.972) 3.972 3.083 ( -0.000 0.000 -0.668) 0.668 3.083 ( -0.000 0.000 -0.668) 0.668 3.360 ( -0.000 0.000 -0.534) 0.534 3.360 ( -0.000 0.000 -0.534) 0.534 3.393 ( 0.000 -0.000 2.327) 2.327 3.431 ( -0.000 0.000 -0.439) 0.439 3.431 ( -0.000 0.000 -0.439) 0.439 3.519 ( -0.000 0.000 -3.804) 3.804 3.531 ( -0.000 -0.000 0.192) 0.192 3.531 ( -0.000 -0.000 0.192) 0.192 4.000 ( -0.000 0.000 -3.153) 3.153 4.005 ( 0.000 -0.000 6.916) 6.916 5.115 ( 0.000 -0.000 1.387) 1.387 5.404 ( -0.000 -0.000 1.382) 1.382 5.404 ( -0.000 -0.000 1.382) 1.382 5.813 ( 0.000 0.000 -1.157) 1.157 5.813 ( 0.000 0.000 -1.157) 1.157 5.917 ( -0.000 0.000 -0.319) 0.319 7.184 ( -0.000 0.000 -1.403) 1.403 7.184 ( -0.000 0.000 -1.403) 1.403 7.283 ( 0.000 0.000 -0.639) 0.639 7.283 ( 0.000 0.000 -0.639) 0.639 7.622 ( 0.000 -0.000 1.349) 1.349 8.026 ( 0.000 -0.000 0.853) 0.853 8.026 ( 0.000 -0.000 0.853) 0.853 8.079 ( -0.000 -0.000 1.137) 1.137 8.079 ( -0.000 -0.000 1.137) 1.137 8.583 ( -0.000 0.000 -5.281) 5.281 8.621 ( 0.000 -0.000 2.181) 2.181 8.621 ( 0.000 -0.000 2.181) 2.181 8.752 ( 0.000 -0.000 7.179) 7.179 9.293 ( 0.000 0.000 -2.635) 2.635 9.293 ( -0.000 0.000 -2.635) 2.635 9.853 ( -0.000 0.000 -2.908) 2.908 10.254 ( -0.000 -0.000 1.737) 1.737 10.254 ( -0.000 -0.000 1.737) 1.737 11.187 ( 0.000 -0.000 3.260) 3.260 11.419 ( 0.000 0.000 -1.825) 1.825 11.419 ( 0.000 0.000 -1.825) 1.825 11.792 ( -0.000 0.000 -2.348) 2.348 13.080 ( 0.000 -0.000 1.730) 1.730 13.080 ( 0.000 -0.000 1.730) 1.730 13.960 ( -0.000 0.000 -0.931) 0.931 13.960 ( -0.000 0.000 -0.931) 0.931 14.943 ( -0.000 0.000 -2.156) 2.156 15.154 ( 0.000 -0.000 0.699) 0.699 15.672 ( 0.000 -0.000 0.856) 0.856 16.025 ( 0.000 -0.000 0.140) 0.140 ======================= Grid point 117 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 15.327 8.849 14.188) 22.683 0.604 ( 19.967 11.528 9.454) 24.919 0.800 ( 20.788 12.002 22.389) 32.825 1.696 ( 5.211 3.008 -9.425) 11.182 1.721 ( 5.824 3.363 -7.165) 9.827 2.276 ( 2.255 1.302 4.197) 4.939 2.303 ( 2.785 1.608 5.151) 6.073 2.463 ( -0.357 -0.206 -1.075) 1.151 2.632 ( 0.294 0.170 2.295) 2.320 2.700 ( -0.569 -0.328 -5.728) 5.765 2.707 ( 0.041 0.024 -0.978) 0.979 2.764 ( 2.170 1.253 0.331) 2.528 3.050 ( -4.888 -2.822 4.923) 7.489 3.060 ( -1.817 -1.049 -1.143) 2.389 3.160 ( 0.385 0.222 2.775) 2.810 3.302 ( -2.663 -1.538 0.891) 3.202 3.354 ( -0.395 -0.228 -1.273) 1.352 3.411 ( -1.242 -0.717 -1.036) 1.770 3.427 ( -0.312 -0.180 0.691) 0.779 3.457 ( 1.802 1.040 1.486) 2.557 3.533 ( 0.381 0.220 1.021) 1.112 3.955 ( -0.790 -0.456 0.784) 1.203 3.986 ( -0.108 -0.062 -3.558) 3.560 4.104 ( 5.875 3.392 -16.743) 18.065 5.132 ( 0.984 0.568 1.493) 1.876 5.418 ( 0.823 0.475 -0.121) 0.958 5.427 ( 0.804 0.464 2.741) 2.894 5.784 ( -1.253 -0.723 -2.725) 3.086 5.841 ( 1.199 0.692 -2.297) 2.682 5.915 ( -0.020 -0.012 -0.435) 0.436 7.141 ( -1.547 -0.893 -1.998) 2.680 7.196 ( 0.010 0.005 1.135) 1.135 7.248 ( -1.119 -0.646 4.210) 4.403 7.336 ( 2.738 1.581 0.088) 3.163 7.554 ( -10.324 -5.960 14.576) 18.830 7.676 ( -6.027 -3.480 14.325) 15.926 8.003 ( -2.172 -1.254 1.022) 2.708 8.044 ( 0.656 0.379 1.678) 1.841 8.078 ( 0.186 0.107 0.537) 0.578 8.386 ( -9.682 -5.590 -0.744) 11.205 8.579 ( -1.844 -1.065 -2.879) 3.581 8.672 ( 2.381 1.375 4.519) 5.290 8.828 ( -7.139 -4.122 13.252) 15.606 8.974 ( 11.021 6.363 4.935) 13.649 9.260 ( -0.875 -0.505 -4.786) 4.891 10.138 ( 2.839 1.639 -14.630) 14.993 10.270 ( 0.168 0.097 2.816) 2.823 10.441 ( 9.580 5.531 -6.667) 12.915 11.131 ( -4.616 -2.665 2.911) 6.073 11.394 ( -2.995 -1.729 3.301) 4.782 11.397 ( -0.668 -0.386 -2.890) 2.992 11.586 ( 1.656 0.956 14.226) 14.353 13.099 ( 0.565 0.326 2.568) 2.650 13.422 ( 9.747 5.628 -13.749) 17.768 13.868 ( -4.124 -2.381 2.026) 5.175 13.951 ( -0.199 -0.115 -1.368) 1.388 15.061 ( -0.346 -0.200 -9.787) 9.795 15.246 ( 5.716 3.300 -9.153) 11.285 15.675 ( 0.003 0.002 0.731) 0.731 15.803 ( -12.516 -7.226 9.813) 17.470 ======================= Grid point 118 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 15.948 9.207 9.701) 20.814 1.088 ( 19.708 11.379 5.481) 23.408 1.351 ( 21.038 12.146 14.569) 28.327 1.842 ( 10.100 5.831 -7.968) 14.124 1.872 ( 9.115 5.263 -6.074) 12.152 2.360 ( 0.069 0.040 2.297) 2.299 2.364 ( 4.045 2.335 3.674) 5.942 2.465 ( 0.841 0.485 1.726) 1.981 2.665 ( 0.977 0.564 -4.647) 4.782 2.687 ( 2.940 1.697 -1.805) 3.845 2.705 ( 0.160 0.092 -1.276) 1.289 2.816 ( 1.476 0.852 3.636) 4.016 2.982 ( -2.138 -1.235 2.783) 3.721 2.984 ( -4.435 -2.561 -1.339) 5.293 3.191 ( 0.203 0.117 -0.908) 0.938 3.263 ( -1.125 -0.650 0.732) 1.491 3.346 ( 0.652 0.377 -1.285) 1.490 3.360 ( -2.817 -1.626 -1.230) 3.477 3.420 ( -0.920 -0.531 2.476) 2.694 3.460 ( -1.278 -0.738 0.872) 1.714 3.581 ( 2.755 1.590 2.071) 3.795 3.891 ( -4.346 -2.509 1.585) 5.262 3.970 ( -0.299 -0.173 -2.903) 2.923 4.053 ( -4.593 -2.652 -10.277) 11.565 5.167 ( 1.557 0.899 1.027) 2.071 5.438 ( 1.021 0.590 -0.036) 1.180 5.458 ( 0.955 0.551 3.575) 3.741 5.740 ( -1.549 -0.895 -3.596) 4.017 5.844 ( -0.300 -0.173 -1.226) 1.274 5.913 ( -0.034 -0.019 -0.559) 0.560 7.107 ( -0.906 -0.523 -1.523) 1.848 7.213 ( 1.065 0.615 2.886) 3.137 7.257 ( -0.671 -0.387 10.262) 10.291 7.397 ( 2.456 1.418 0.173) 2.841 7.460 ( -1.382 -0.798 2.943) 3.347 7.649 ( -1.579 -0.911 4.153) 4.536 7.944 ( -3.122 -1.803 0.705) 3.674 8.062 ( 0.165 0.096 1.169) 1.184 8.088 ( 0.504 0.291 0.342) 0.675 8.188 ( -7.430 -4.289 -0.691) 8.607 8.511 ( -2.960 -1.709 -2.665) 4.333 8.758 ( 3.504 2.023 6.052) 7.280 8.772 ( -2.242 -1.295 7.134) 7.589 9.218 ( -1.193 -0.689 -6.233) 6.383 9.226 ( 9.318 5.380 3.980) 11.472 10.151 ( 3.157 1.823 -13.360) 13.848 10.280 ( -0.224 -0.129 2.990) 3.001 10.584 ( 5.054 2.918 -1.775) 6.099 11.034 ( -4.304 -2.485 1.870) 5.310 11.361 ( -0.852 -0.492 2.312) 2.513 11.371 ( -0.621 -0.359 -2.977) 3.063 11.752 ( 7.127 4.115 11.716) 14.318 13.122 ( 0.528 0.305 2.544) 2.616 13.536 ( 4.285 2.474 -6.875) 8.471 13.787 ( -3.190 -1.842 0.516) 3.720 13.942 ( -0.145 -0.084 -1.380) 1.390 14.973 ( -4.065 -2.347 -7.359) 8.728 15.283 ( 0.684 0.395 -6.105) 6.156 15.546 ( -12.294 -7.098 6.229) 15.502 15.675 ( -0.239 -0.138 0.356) 0.451 ======================= Grid point 119 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 14.198 8.197 7.222) 17.915 1.526 ( 17.158 9.906 3.586) 20.135 1.833 ( 17.203 9.932 7.709) 21.308 2.074 ( 9.621 5.555 -4.322) 11.921 2.077 ( 11.408 6.586 -2.946) 13.498 2.330 ( -2.180 -1.258 -0.685) 2.608 2.471 ( 3.895 2.249 2.565) 5.177 2.502 ( 1.206 0.696 2.997) 3.305 2.668 ( 2.152 1.242 -8.409) 8.769 2.701 ( -0.449 -0.259 -1.131) 1.244 2.789 ( 4.449 2.568 1.604) 5.381 2.856 ( 1.190 0.687 5.611) 5.777 2.860 ( -5.566 -3.214 -0.947) 6.497 2.971 ( 0.407 0.235 1.042) 1.144 3.145 ( -3.253 -1.878 -0.941) 3.872 3.247 ( -0.592 -0.342 -0.308) 0.750 3.281 ( -3.448 -1.991 -1.158) 4.147 3.349 ( -2.176 -1.256 1.503) 2.928 3.422 ( 1.480 0.854 1.115) 2.041 3.428 ( -1.619 -0.935 1.094) 2.166 3.650 ( 2.516 1.452 1.903) 3.472 3.778 ( -5.723 -3.304 -3.012) 7.262 3.871 ( -7.730 -4.463 -5.425) 10.445 3.953 ( -0.513 -0.296 -1.483) 1.597 5.206 ( 1.552 0.896 0.164) 1.799 5.465 ( 1.277 0.737 0.114) 1.479 5.492 ( 0.828 0.478 3.295) 3.431 5.693 ( -1.359 -0.785 -3.061) 3.440 5.822 ( -1.369 -0.791 -0.174) 1.591 5.910 ( -0.038 -0.022 -0.639) 0.640 7.091 ( -0.142 -0.082 -0.800) 0.817 7.260 ( 1.534 0.886 3.676) 4.080 7.284 ( -0.135 -0.078 11.221) 11.222 7.441 ( 1.172 0.676 0.397) 1.410 7.472 ( 2.262 1.306 -4.111) 4.871 7.616 ( -2.328 -1.344 2.295) 3.535 7.877 ( -2.661 -1.536 0.080) 3.074 8.006 ( -5.675 -3.277 -1.429) 6.707 8.087 ( -0.660 -0.381 -0.359) 0.842 8.103 ( 0.689 0.398 0.360) 0.873 8.438 ( -2.637 -1.523 -1.723) 3.499 8.759 ( -0.971 -0.560 5.689) 5.798 8.867 ( 3.968 2.291 6.225) 7.729 9.162 ( -1.689 -0.975 -6.401) 6.691 9.417 ( 6.222 3.592 3.594) 8.033 10.194 ( 4.593 2.652 -12.897) 13.945 10.279 ( -0.589 -0.340 2.094) 2.202 10.664 ( 2.170 1.253 -0.311) 2.524 10.957 ( -3.451 -1.993 4.200) 5.790 11.351 ( -0.330 -0.190 -2.000) 2.036 11.370 ( 1.390 0.803 -0.547) 1.696 11.952 ( 6.520 3.764 9.792) 12.352 13.139 ( 0.270 0.156 1.634) 1.663 13.545 ( -2.095 -1.209 -4.530) 5.135 13.768 ( 1.969 1.137 0.391) 2.306 13.936 ( -0.016 -0.009 -0.905) 0.905 14.836 ( -5.683 -3.281 -5.909) 8.830 15.222 ( -6.218 -3.590 -0.204) 7.182 15.345 ( -4.296 -2.480 0.680) 5.006 15.668 ( -0.347 -0.200 0.043) 0.403 ======================= Grid point 120 (36/116) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 10.620 6.131 5.239) 13.335 1.884 ( 12.854 7.421 2.194) 15.004 2.111 ( 3.277 1.892 0.077) 3.785 2.249 ( 5.835 3.369 -2.126) 7.065 2.271 ( 2.423 1.399 3.524) 4.500 2.345 ( 8.102 4.678 -1.743) 9.517 2.534 ( 1.278 0.738 0.898) 1.727 2.537 ( 0.933 0.538 0.331) 1.127 2.649 ( -3.476 -2.007 -0.456) 4.040 2.710 ( 3.664 2.116 -6.532) 7.783 2.775 ( -1.159 -0.669 -0.037) 1.339 2.855 ( 0.187 0.108 6.339) 6.342 2.934 ( 2.248 1.298 2.992) 3.961 2.990 ( 1.011 0.584 -1.112) 1.612 3.089 ( 0.920 0.531 0.212) 1.083 3.205 ( -2.339 -1.350 -0.611) 2.769 3.233 ( -0.643 -0.371 -1.083) 1.313 3.265 ( -5.159 -2.978 3.425) 6.871 3.398 ( -1.248 -0.721 0.644) 1.578 3.444 ( -2.179 -1.258 -3.298) 4.148 3.599 ( -6.085 -3.513 -1.696) 7.228 3.702 ( 1.373 0.792 1.067) 1.910 3.732 ( -3.007 -1.736 -4.855) 5.969 3.940 ( -0.382 -0.221 0.425) 0.613 5.234 ( 0.981 0.566 -0.776) 1.373 5.495 ( 1.158 0.669 0.366) 1.386 5.511 ( -0.020 -0.012 0.652) 0.653 5.666 ( -0.273 -0.158 0.101) 0.331 5.788 ( -1.446 -0.835 0.638) 1.787 5.907 ( 0.013 0.007 -0.643) 0.643 7.093 ( 0.428 0.247 0.201) 0.534 7.285 ( -0.469 -0.271 4.021) 4.057 7.327 ( 0.371 0.214 6.153) 6.168 7.451 ( -0.368 -0.213 0.259) 0.498 7.523 ( 2.834 1.636 -3.453) 4.757 7.571 ( -1.374 -0.793 1.481) 2.170 7.832 ( -1.111 -0.641 -0.515) 1.382 7.876 ( -4.389 -2.534 -1.974) 5.439 8.083 ( 0.244 0.141 -1.130) 1.165 8.120 ( 0.564 0.325 0.644) 0.915 8.381 ( -1.853 -1.070 -1.770) 2.777 8.762 ( -0.601 -0.347 5.541) 5.584 8.960 ( 1.934 1.116 0.820) 2.379 9.112 ( -0.531 -0.306 -1.042) 1.209 9.534 ( 2.993 1.728 3.366) 4.824 10.266 ( 5.274 3.045 -10.927) 12.509 10.268 ( -0.769 -0.444 0.366) 0.961 10.687 ( 0.600 0.346 -2.140) 2.249 10.897 ( -3.847 -2.221 7.959) 9.114 11.344 ( 0.130 0.075 -0.301) 0.337 11.414 ( 2.473 1.428 -2.439) 3.755 12.093 ( 2.954 1.705 6.238) 7.109 13.144 ( -0.119 -0.069 0.161) 0.212 13.459 ( -2.974 -1.717 -3.549) 4.938 13.836 ( 2.833 1.636 -0.701) 3.346 13.936 ( 0.144 0.083 -0.098) 0.193 14.694 ( -4.661 -2.691 -2.633) 5.992 15.079 ( -4.991 -2.882 2.375) 6.233 15.308 ( -0.254 -0.146 -1.508) 1.536 15.661 ( -0.238 -0.138 -0.086) 0.288 ======================= Grid point 121 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.695 -0.401 2.835) 2.947 2.056 ( -1.182 -0.682 0.146) 1.372 2.098 ( 0.161 0.093 3.475) 3.480 2.299 ( -1.175 -0.678 -4.971) 5.152 2.301 ( 0.804 0.464 0.454) 1.034 2.448 ( 0.425 0.245 -0.759) 0.904 2.540 ( 0.654 0.377 -0.991) 1.246 2.578 ( -0.038 -0.022 1.333) 1.334 2.607 ( -0.198 -0.114 0.439) 0.495 2.768 ( 0.036 0.021 -0.025) 0.049 2.782 ( 2.942 1.698 -2.944) 4.495 2.839 ( -1.765 -1.019 4.662) 5.088 2.896 ( -3.766 -2.175 2.540) 5.037 3.038 ( 2.720 1.570 -1.054) 3.313 3.165 ( -2.754 -1.590 -1.448) 3.494 3.183 ( -2.309 -1.333 3.010) 4.021 3.184 ( 0.622 0.359 0.950) 1.191 3.221 ( 0.173 0.100 -1.511) 1.524 3.348 ( 5.034 2.906 -0.617) 5.845 3.376 ( -0.687 -0.397 -0.707) 1.063 3.541 ( -1.770 -1.022 -2.743) 3.420 3.702 ( 1.787 1.031 -2.877) 3.540 3.715 ( -0.445 -0.257 0.035) 0.515 3.943 ( 0.288 0.166 2.073) 2.099 5.243 ( 0.061 0.035 -1.376) 1.378 5.494 ( -1.047 -0.604 -2.334) 2.629 5.514 ( 0.238 0.138 0.896) 0.937 5.684 ( 1.024 0.591 3.564) 3.755 5.769 ( -0.323 -0.187 0.802) 0.885 5.907 ( 0.130 0.075 -0.576) 0.595 7.108 ( 0.490 0.283 1.602) 1.699 7.264 ( -2.029 -1.172 0.375) 2.373 7.323 ( -1.933 -1.116 1.507) 2.693 7.434 ( -0.766 -0.443 -1.083) 1.399 7.533 ( 0.177 0.102 -0.108) 0.231 7.597 ( 0.866 0.500 1.208) 1.568 7.821 ( 0.279 0.161 -0.470) 0.570 7.832 ( 1.572 0.908 0.488) 1.880 8.085 ( 0.184 0.106 -1.214) 1.232 8.131 ( 0.094 0.054 1.172) 1.177 8.343 ( -0.513 -0.296 -3.523) 3.572 8.765 ( -0.898 -0.518 5.618) 5.713 8.927 ( -2.657 -1.534 -7.723) 8.310 9.161 ( 2.648 1.529 7.397) 8.004 9.575 ( -0.419 -0.242 3.171) 3.207 10.249 ( -0.633 -0.366 -1.508) 1.676 10.344 ( 3.891 2.246 -6.758) 8.115 10.693 ( 1.263 0.729 -5.483) 5.674 10.836 ( -3.900 -2.252 9.287) 10.321 11.354 ( 0.576 0.333 1.419) 1.567 11.444 ( 0.563 0.325 -2.443) 2.528 12.119 ( -2.118 -1.223 2.548) 3.532 13.135 ( -0.478 -0.276 -1.284) 1.397 13.420 ( 0.872 0.504 -2.729) 2.909 13.855 ( -0.752 -0.434 -3.416) 3.524 13.942 ( 0.258 0.149 0.682) 0.744 14.650 ( 1.531 0.884 1.530) 2.338 15.028 ( -0.320 -0.185 2.738) 2.763 15.306 ( 0.497 0.287 -1.107) 1.247 15.658 ( 0.005 0.003 -0.118) 0.118 ======================= Grid point 122 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -12.058 -6.962 1.892) 14.052 1.854 ( -13.648 -7.880 -0.397) 15.764 2.118 ( -11.129 -6.425 -0.818) 12.877 2.185 ( 1.242 0.717 1.259) 1.909 2.271 ( -5.088 -2.937 -0.201) 5.878 2.428 ( -2.360 -1.363 0.299) 2.742 2.490 ( -5.041 -2.910 -2.042) 6.168 2.531 ( -1.891 -1.092 -0.087) 2.186 2.661 ( 4.020 2.321 0.677) 4.691 2.742 ( -2.324 -1.342 -4.390) 5.145 2.785 ( 2.031 1.173 0.573) 2.415 2.818 ( -3.619 -2.089 1.040) 4.306 2.886 ( 1.052 0.607 2.767) 3.022 3.018 ( -5.087 -2.937 0.077) 5.874 3.110 ( 2.962 1.710 2.487) 4.229 3.207 ( 3.361 1.941 -0.248) 3.889 3.224 ( 1.499 0.866 -0.531) 1.811 3.239 ( 2.284 1.319 1.289) 2.936 3.365 ( 0.389 0.224 -2.429) 2.470 3.461 ( -2.611 -1.508 -2.558) 3.954 3.605 ( 11.200 6.466 -0.938) 12.967 3.685 ( -1.993 -1.151 -0.211) 2.311 3.772 ( 4.908 2.834 0.325) 5.677 3.964 ( 0.740 0.427 2.336) 2.487 5.228 ( -0.904 -0.522 -1.317) 1.680 5.457 ( -1.216 -0.702 -3.049) 3.357 5.509 ( -0.974 -0.562 1.622) 1.974 5.727 ( 1.417 0.818 4.350) 4.647 5.780 ( 1.065 0.615 -0.027) 1.230 5.909 ( 0.228 0.132 -0.473) 0.541 7.124 ( 0.169 0.098 3.012) 3.018 7.204 ( -2.800 -1.617 -1.411) 3.528 7.261 ( -2.979 -1.720 -1.609) 3.797 7.413 ( -0.441 -0.255 -3.136) 3.177 7.547 ( 0.521 0.301 -0.889) 1.073 7.598 ( -0.460 -0.265 3.011) 3.057 7.839 ( 1.337 0.772 0.058) 1.545 7.929 ( 5.091 2.939 3.278) 6.730 8.079 ( -0.310 -0.179 -0.887) 0.956 8.132 ( -0.465 -0.269 1.788) 1.867 8.343 ( 2.172 1.254 -5.127) 5.707 8.759 ( -1.301 -0.751 5.372) 5.578 8.825 ( -3.496 -2.018 -7.772) 8.757 9.244 ( 2.073 1.197 7.243) 7.628 9.536 ( -3.939 -2.274 2.872) 5.379 10.232 ( -0.214 -0.123 -2.690) 2.701 10.384 ( 0.837 0.483 -1.062) 1.436 10.682 ( -1.413 -0.816 -5.297) 5.542 10.822 ( 1.493 0.862 3.873) 4.239 11.378 ( 0.803 0.464 2.457) 2.626 11.420 ( -1.912 -1.104 -0.969) 2.411 12.019 ( -6.816 -3.936 -0.078) 7.871 13.115 ( -0.657 -0.379 -2.114) 2.246 13.478 ( 4.539 2.620 -2.060) 5.631 13.794 ( -2.809 -1.622 -4.085) 5.217 13.951 ( 0.267 0.154 1.085) 1.128 14.759 ( 6.564 3.790 2.293) 7.919 15.078 ( 3.801 2.194 2.696) 5.151 15.325 ( 1.425 0.823 -0.001) 1.646 15.661 ( 0.224 0.130 -0.105) 0.280 ======================= Grid point 123 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -16.099 -9.295 1.907) 18.687 1.489 ( -18.009 -10.397 0.319) 20.797 1.723 ( -20.812 -12.016 -1.130) 24.058 2.099 ( -8.630 -4.982 -2.131) 10.190 2.152 ( -7.447 -4.300 3.061) 9.128 2.346 ( -1.922 -1.109 -0.513) 2.277 2.443 ( 0.339 0.196 -2.264) 2.298 2.457 ( -4.491 -2.593 1.493) 5.396 2.693 ( -0.555 -0.321 -5.526) 5.563 2.717 ( 0.788 0.455 0.318) 0.963 2.737 ( -3.393 -1.959 -1.059) 4.059 2.860 ( -3.227 -1.863 4.157) 5.583 2.886 ( 5.732 3.309 1.227) 6.731 2.965 ( -0.348 -0.201 0.610) 0.731 3.193 ( 2.495 1.440 3.356) 4.423 3.239 ( 0.341 0.197 -0.824) 0.913 3.291 ( 3.754 2.167 -2.027) 4.785 3.315 ( 3.125 1.804 1.975) 4.113 3.384 ( 2.216 1.280 -3.106) 4.025 3.393 ( -1.946 -1.124 -2.093) 3.071 3.628 ( -2.875 -1.660 0.042) 3.319 3.770 ( 4.035 2.329 0.260) 4.666 3.967 ( 10.588 6.113 1.223) 12.287 3.988 ( 0.695 0.401 1.461) 1.667 5.195 ( -1.606 -0.927 -0.739) 1.996 5.422 ( -0.859 -0.496 -2.699) 2.875 5.486 ( -1.493 -0.862 1.984) 2.628 5.773 ( 1.238 0.715 3.738) 4.002 5.809 ( 1.517 0.876 -1.440) 2.268 5.913 ( 0.225 0.130 -0.371) 0.453 7.137 ( -2.645 -1.527 -0.452) 3.088 7.138 ( 0.151 0.087 3.567) 3.571 7.194 ( -1.930 -1.114 -2.501) 3.349 7.387 ( -0.810 -0.468 -4.437) 4.535 7.530 ( -1.617 -0.934 0.249) 1.884 7.613 ( 0.529 0.305 1.846) 1.944 7.883 ( 2.341 1.352 0.473) 2.745 8.038 ( 2.035 1.175 0.794) 2.481 8.085 ( 2.571 1.484 1.405) 3.285 8.123 ( -0.844 -0.487 2.217) 2.422 8.409 ( 4.799 2.771 -4.170) 6.936 8.724 ( -3.100 -1.790 -6.177) 7.139 8.747 ( -1.259 -0.727 4.816) 5.031 9.300 ( 0.848 0.490 5.395) 5.483 9.417 ( -7.324 -4.228 2.542) 8.830 10.223 ( 0.275 0.159 -2.673) 2.692 10.382 ( -1.321 -0.763 3.873) 4.163 10.604 ( -3.102 -1.791 -6.447) 7.375 10.910 ( 5.049 2.915 -1.218) 5.956 11.366 ( -2.511 -1.450 1.638) 3.330 11.405 ( 0.709 0.410 2.443) 2.577 11.829 ( -9.129 -5.271 -0.889) 10.579 13.093 ( -0.593 -0.343 -2.027) 2.140 13.579 ( 3.847 2.221 -1.780) 4.786 13.728 ( -1.072 -0.619 -3.168) 3.402 13.960 ( 0.177 0.102 0.981) 1.003 14.923 ( 6.637 3.832 0.531) 7.682 15.209 ( 6.636 3.831 0.355) 7.671 15.381 ( 3.423 1.976 2.798) 4.843 15.666 ( 0.270 0.156 -0.019) 0.312 ======================= Grid point 124 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -18.392 -10.619 2.751) 21.415 1.046 ( -20.980 -12.113 1.915) 24.301 1.200 ( -24.588 -14.196 1.557) 28.434 1.895 ( -7.809 -4.508 -4.119) 9.913 1.953 ( -8.957 -5.171 0.954) 10.386 2.303 ( -2.246 -1.297 -0.999) 2.780 2.354 ( -4.826 -2.786 2.855) 6.261 2.459 ( 1.045 0.603 -0.679) 1.384 2.640 ( -2.632 -1.519 0.676) 3.113 2.699 ( 0.921 0.532 -6.613) 6.698 2.723 ( -0.143 -0.083 0.269) 0.316 2.812 ( -2.224 -1.284 3.688) 4.494 2.972 ( 0.611 0.353 1.590) 1.740 3.009 ( 4.186 2.417 0.754) 4.892 3.203 ( -1.940 -1.120 -0.757) 2.365 3.248 ( 1.038 0.599 -0.401) 1.264 3.347 ( 1.469 0.848 -1.657) 2.371 3.380 ( 2.146 1.239 0.184) 2.485 3.388 ( 1.511 0.873 1.683) 2.425 3.436 ( 2.592 1.496 -1.170) 3.213 3.559 ( -3.100 -1.790 0.278) 3.591 3.853 ( 3.216 1.857 2.383) 4.413 4.003 ( 0.434 0.251 -0.039) 0.503 4.185 ( 7.847 4.530 -2.206) 9.326 5.155 ( -1.686 -0.973 0.018) 1.946 5.400 ( -0.343 -0.198 -1.663) 1.709 5.459 ( -1.388 -0.801 1.755) 2.376 5.807 ( 0.726 0.419 2.413) 2.554 5.833 ( 1.212 0.700 -3.032) 3.340 5.916 ( 0.145 0.084 -0.293) 0.338 7.090 ( -1.712 -0.988 4.619) 5.024 7.159 ( 0.625 0.361 3.111) 3.194 7.165 ( -0.001 -0.001 -1.522) 1.522 7.343 ( -1.579 -0.911 -4.537) 4.890 7.484 ( -2.447 -1.413 0.823) 2.943 7.624 ( -0.019 -0.011 1.141) 1.141 7.943 ( 2.665 1.538 0.563) 3.128 8.039 ( -0.472 -0.272 -0.718) 0.901 8.110 ( -0.994 -0.574 2.234) 2.512 8.208 ( 6.597 3.809 1.738) 7.813 8.512 ( 4.726 2.729 -2.317) 5.929 8.647 ( -1.961 -1.132 -3.683) 4.323 8.741 ( -0.663 -0.383 4.803) 4.864 9.223 ( -10.439 -6.027 2.639) 12.340 9.321 ( -0.176 -0.101 2.803) 2.810 10.225 ( 0.594 0.343 -1.556) 1.701 10.353 ( -2.850 -1.645 5.937) 6.788 10.511 ( -2.040 -1.178 -11.024) 11.272 11.023 ( 5.208 3.007 -2.715) 6.598 11.330 ( -1.598 -0.922 6.045) 6.320 11.424 ( 0.353 0.204 1.429) 1.486 11.625 ( -8.077 -4.663 -0.053) 9.327 13.076 ( -0.324 -0.187 -1.085) 1.148 13.590 ( -1.581 -0.913 -2.943) 3.463 13.759 ( 3.628 2.095 -1.883) 4.593 13.965 ( 0.041 0.024 0.469) 0.471 15.048 ( 4.408 2.545 -1.598) 5.335 15.335 ( 4.378 2.527 -5.226) 7.271 15.522 ( 7.170 4.140 7.340) 11.064 15.671 ( 0.102 0.059 0.246) 0.273 ======================= Grid point 127 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 18.785 14.451) 23.700 0.664 ( -0.000 21.772 12.534) 25.123 0.864 ( -0.000 19.091 28.129) 33.996 1.647 ( 0.000 5.278 -10.282) 11.558 1.709 ( 0.000 8.246 -9.228) 12.376 2.288 ( -0.000 1.613 5.138) 5.385 2.322 ( -0.000 3.684 5.642) 6.738 2.460 ( 0.000 -0.344 -1.031) 1.086 2.640 ( -0.000 0.213 1.059) 1.080 2.651 ( 0.000 -3.210 -5.119) 6.042 2.715 ( 0.000 0.434 -0.608) 0.747 2.769 ( 0.000 3.490 -0.936) 3.613 3.067 ( -0.000 -2.939 2.124) 3.627 3.067 ( 0.000 -1.355 -0.643) 1.499 3.164 ( -0.000 -3.379 4.402) 5.549 3.301 ( -0.000 -3.470 0.542) 3.512 3.350 ( 0.000 -0.571 -1.183) 1.313 3.403 ( 0.000 -1.502 -1.352) 2.020 3.434 ( -0.000 -0.062 0.897) 0.899 3.467 ( -0.000 1.365 1.557) 2.071 3.521 ( -0.000 0.402 0.940) 1.022 3.957 ( 0.000 4.749 -7.560) 8.928 3.975 ( 0.000 0.394 -4.166) 4.184 4.068 ( 0.000 4.035 -6.824) 7.927 5.137 ( -0.000 0.945 1.705) 1.949 5.400 ( -0.000 -0.720 1.278) 1.467 5.451 ( -0.000 2.062 2.435) 3.191 5.789 ( 0.000 -0.400 -3.984) 4.004 5.820 ( 0.000 0.655 -0.869) 1.088 5.913 ( 0.000 -0.131 -0.546) 0.562 7.140 ( 0.000 -1.035 -1.066) 1.485 7.201 ( -0.000 0.486 0.912) 1.033 7.251 ( 0.000 0.267 -3.793) 3.802 7.326 ( -0.000 1.468 3.214) 3.533 7.583 ( -0.000 -9.116 8.238) 12.287 7.724 ( -0.000 -13.119 17.709) 22.039 8.009 ( -0.000 -2.164 1.254) 2.501 8.035 ( -0.000 0.103 1.133) 1.138 8.115 ( -0.000 1.416 1.971) 2.427 8.396 ( 0.000 -10.263 0.463) 10.274 8.559 ( 0.000 -3.617 -3.382) 4.952 8.618 ( -0.000 -0.482 1.966) 2.024 8.900 ( -0.000 -6.275 14.588) 15.880 9.025 ( -0.000 12.806 5.748) 14.036 9.300 ( 0.000 1.691 -2.808) 3.277 10.149 ( 0.000 10.402 -20.779) 23.237 10.248 ( -0.000 -1.294 1.905) 2.303 10.352 ( -0.000 4.004 0.616) 4.051 11.140 ( -0.000 -6.539 4.004) 7.668 11.417 ( 0.000 0.664 -1.998) 2.106 11.422 ( 0.000 1.874 -0.371) 1.911 11.595 ( -0.000 -3.041 13.587) 13.923 13.084 ( -0.000 -0.505 1.887) 1.953 13.375 ( 0.000 11.432 -11.517) 16.227 13.853 ( -0.000 -6.376 0.675) 6.412 13.958 ( 0.000 0.324 -1.033) 1.082 15.029 ( 0.000 1.113 -10.032) 10.094 15.220 ( 0.000 4.932 -5.060) 7.066 15.678 ( -0.000 -0.113 0.730) 0.739 15.853 ( -0.000 -12.032 7.009) 13.925 ======================= Grid point 128 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 7.490 16.198 14.291) 22.863 1.009 ( 10.113 20.202 8.320) 24.075 1.267 ( 12.433 17.972 20.342) 29.856 1.735 ( 6.346 8.313 -9.400) 14.062 1.809 ( 4.434 10.174 -8.432) 13.938 2.339 ( 1.646 1.424 4.599) 5.088 2.393 ( 0.708 3.818 3.969) 5.553 2.457 ( 0.692 -0.239 1.089) 1.313 2.601 ( 0.967 -2.899 -7.705) 8.289 2.666 ( 1.357 1.899 1.576) 2.817 2.726 ( 0.472 1.553 -1.537) 2.236 2.808 ( 0.906 2.481 0.797) 2.759 3.010 ( -2.929 -3.609 3.790) 5.997 3.037 ( -2.234 -0.662 -1.376) 2.705 3.163 ( 0.714 -1.108 0.496) 1.408 3.277 ( 0.098 -1.010 0.419) 1.098 3.328 ( -0.439 -1.307 -1.620) 2.128 3.373 ( -1.105 -2.216 -1.661) 2.982 3.427 ( -0.543 -0.937 1.834) 2.130 3.465 ( -0.127 -1.632 0.722) 1.789 3.567 ( 1.897 2.682 2.394) 4.064 3.929 ( -2.696 -2.007 -2.756) 4.346 3.966 ( -0.224 0.644 -3.372) 3.440 4.049 ( -1.714 -1.610 -8.572) 8.889 5.161 ( 0.837 1.109 1.290) 1.895 5.411 ( 1.371 -0.749 1.063) 1.890 5.481 ( 0.017 2.028 3.004) 3.624 5.752 ( -1.752 -0.195 -3.460) 3.883 5.834 ( 0.700 0.080 -1.350) 1.523 5.909 ( 0.046 -0.215 -0.681) 0.715 7.118 ( -1.294 -0.086 -0.795) 1.521 7.215 ( 0.580 0.720 2.499) 2.665 7.264 ( 1.899 0.872 -0.974) 2.305 7.367 ( 1.864 0.005 4.251) 4.642 7.497 ( -2.580 -5.648 8.074) 10.186 7.677 ( -1.410 -2.961 6.674) 7.437 7.986 ( -1.784 -1.892 1.270) 2.894 8.022 ( 0.004 -1.460 1.029) 1.786 8.130 ( -0.751 2.189 0.891) 2.480 8.255 ( -5.813 -5.990 0.379) 8.356 8.493 ( -0.812 -5.174 -4.541) 6.932 8.647 ( 2.803 -3.270 4.741) 6.405 8.907 ( -0.837 1.345 10.121) 10.245 9.205 ( 4.063 11.265 5.976) 13.383 9.264 ( -3.903 3.291 -4.753) 6.975 10.105 ( -1.457 3.682 -13.987) 14.537 10.309 ( 1.132 2.192 0.707) 2.566 10.460 ( 8.202 0.583 -1.979) 8.457 11.053 ( -2.726 -6.770 2.534) 7.726 11.377 ( -2.892 -0.499 -0.017) 2.935 11.430 ( -1.759 3.767 -0.167) 4.161 11.711 ( 6.162 3.405 11.700) 13.655 13.108 ( 1.880 -0.618 2.052) 2.851 13.468 ( 3.945 5.478 -8.001) 10.469 13.777 ( -1.319 -6.301 -0.448) 6.453 13.956 ( -0.278 1.089 -1.050) 1.538 14.975 ( -2.127 -2.376 -7.665) 8.302 15.250 ( 1.217 1.311 -4.979) 5.291 15.670 ( -6.799 -9.164 4.941) 12.435 15.679 ( -2.283 -1.856 1.112) 3.145 ======================= Grid point 129 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 9.582 12.833 12.454) 20.288 1.417 ( 12.622 16.866 5.314) 21.726 1.715 ( 13.704 14.010 11.095) 22.520 1.951 ( 10.636 10.159 -4.910) 15.506 1.989 ( 7.357 10.426 -6.227) 14.199 2.355 ( -1.801 -0.823 0.697) 2.099 2.448 ( 2.245 1.414 3.590) 4.464 2.507 ( 1.600 2.804 3.217) 4.558 2.579 ( 2.573 -1.824 -7.174) 7.837 2.734 ( 1.951 2.796 -2.513) 4.236 2.751 ( 1.163 3.520 0.716) 3.776 2.845 ( 1.027 -0.516 3.113) 3.319 2.932 ( -4.177 -2.500 2.464) 5.456 2.984 ( -1.879 -0.008 -0.535) 1.954 3.149 ( -0.487 -2.941 -0.074) 2.982 3.258 ( -1.503 -0.737 -0.249) 1.692 3.304 ( -2.161 -2.918 -1.172) 3.815 3.334 ( 1.325 -1.113 -1.224) 2.120 3.414 ( 0.105 -1.644 1.984) 2.579 3.444 ( -0.936 -1.486 1.057) 2.050 3.636 ( 2.071 2.340 2.315) 3.889 3.822 ( -4.818 -3.334 -5.442) 7.996 3.915 ( -5.447 -5.549 -4.830) 9.153 3.961 ( -0.773 0.745 -2.327) 2.563 5.193 ( 1.212 1.050 0.381) 1.648 5.437 ( 1.901 -0.494 1.029) 2.217 5.510 ( -0.047 1.537 2.526) 2.957 5.710 ( -1.879 0.399 -2.521) 3.169 5.829 ( -0.505 -0.562 -0.758) 1.070 5.906 ( 0.080 -0.240 -0.775) 0.815 7.099 ( -0.855 0.511 -0.188) 1.014 7.255 ( 1.535 1.170 3.493) 3.991 7.310 ( 1.442 0.185 5.724) 5.905 7.408 ( 2.323 -1.535 3.147) 4.202 7.464 ( -0.411 1.271 -0.774) 1.544 7.643 ( -1.815 -2.385 3.537) 4.636 7.924 ( -3.751 -0.848 0.755) 3.919 8.014 ( 0.626 -3.277 0.288) 3.348 8.101 ( -4.884 -3.434 -1.267) 6.103 8.135 ( -2.042 1.609 -0.374) 2.626 8.415 ( -0.165 -5.417 -3.016) 6.202 8.667 ( 2.806 -6.038 5.642) 8.727 8.975 ( -0.058 6.875 8.589) 11.002 9.212 ( -4.168 3.930 -6.075) 8.350 9.398 ( 4.307 8.281 5.217) 10.693 10.100 ( 2.814 2.394 -13.176) 13.684 10.331 ( -1.797 3.276 1.148) 3.909 10.583 ( 6.731 -1.417 -1.173) 6.978 10.959 ( -1.223 -6.006 1.497) 6.309 11.332 ( -1.427 -1.129 0.618) 1.922 11.440 ( -2.440 5.787 -0.564) 6.306 11.899 ( 6.857 2.532 10.822) 13.060 13.139 ( 1.097 0.231 1.307) 1.722 13.539 ( 1.377 2.072 -5.358) 5.907 13.696 ( 0.863 -6.587 -0.820) 6.694 13.969 ( -0.210 3.045 -0.569) 3.104 14.864 ( -4.222 -3.662 -6.160) 8.318 15.249 ( -0.374 -0.458 -3.539) 3.588 15.421 ( -9.561 -8.965 4.119) 13.739 15.671 ( -0.235 -0.387 0.001) 0.453 ======================= Grid point 130 (44/116) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 8.926 9.743 9.855) 16.484 1.792 ( 11.265 13.964 3.383) 18.258 2.046 ( 8.887 7.980 0.030) 11.944 2.191 ( 6.838 8.963 -3.848) 11.912 2.244 ( 10.451 9.369 3.368) 14.434 2.296 ( -2.683 -1.718 -0.930) 3.319 2.508 ( 2.025 0.105 2.821) 3.474 2.551 ( 0.796 1.846 -1.772) 2.680 2.617 ( 3.502 1.154 -1.734) 4.075 2.722 ( -4.611 1.573 -1.999) 5.267 2.821 ( -2.168 0.513 -0.993) 2.439 2.844 ( 4.123 1.684 1.780) 4.797 2.903 ( 1.378 -0.876 5.765) 5.992 2.985 ( 1.392 0.709 0.183) 1.573 3.088 ( -2.430 -3.019 0.012) 3.875 3.225 ( -2.008 -1.794 -0.716) 2.786 3.230 ( -1.137 -2.129 -0.785) 2.538 3.300 ( -2.443 -4.654 1.958) 5.610 3.402 ( -0.989 -2.167 -0.231) 2.393 3.441 ( 1.237 0.575 -0.499) 1.452 3.654 ( -6.709 -5.933 -5.028) 10.271 3.694 ( 1.377 1.585 1.402) 2.525 3.751 ( -4.691 -3.857 -5.254) 8.030 3.954 ( -0.701 0.839 0.021) 1.093 5.222 ( 1.033 0.819 -0.682) 1.484 5.471 ( 1.994 -0.074 1.091) 2.274 5.521 ( -0.567 0.539 0.211) 0.811 5.686 ( -1.176 1.250 0.195) 1.727 5.804 ( -1.236 -0.921 0.259) 1.563 5.902 ( 0.122 -0.240 -0.796) 0.840 7.098 ( -0.179 1.005 0.625) 1.197 7.295 ( 0.738 -0.072 1.917) 2.055 7.344 ( -0.169 -1.715 10.541) 10.680 7.455 ( 2.071 1.417 -0.732) 2.614 7.483 ( 1.492 2.664 -2.699) 4.075 7.597 ( -2.013 -1.819 1.958) 3.346 7.859 ( -2.987 -0.455 -0.051) 3.021 7.924 ( -5.184 -3.225 -2.662) 6.660 8.050 ( 1.517 -2.344 -0.544) 2.844 8.118 ( -0.232 -0.383 -1.430) 1.498 8.361 ( -0.141 -3.811 -1.512) 4.102 8.668 ( 3.156 -7.720 5.108) 9.780 9.081 ( -1.396 9.713 6.589) 11.820 9.159 ( -3.614 3.696 -4.155) 6.633 9.543 ( 2.118 6.391 4.465) 8.079 10.151 ( 5.496 2.297 -11.704) 13.133 10.325 ( -3.075 3.586 0.061) 4.724 10.641 ( 2.971 -2.523 -1.538) 4.190 10.908 ( 0.547 -5.711 3.788) 6.875 11.316 ( 0.847 -1.352 0.760) 1.767 11.455 ( -2.547 6.520 -1.265) 7.113 12.047 ( 5.169 -0.855 7.937) 9.510 13.158 ( -0.016 1.468 -0.117) 1.473 13.488 ( -4.049 -1.323 -3.953) 5.811 13.705 ( 6.071 -5.695 -1.107) 8.397 14.007 ( -0.663 6.125 -0.035) 6.161 14.727 ( -4.674 -4.308 -3.693) 7.351 15.156 ( -6.728 -3.746 1.872) 7.925 15.285 ( 0.039 -3.210 -0.917) 3.339 15.663 ( -0.210 -0.279 -0.135) 0.374 ======================= Grid point 131 (45/116) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 3.880 5.367 6.298) 9.139 2.071 ( 4.659 9.368 1.456) 10.563 2.139 ( -2.116 1.004 2.944) 3.762 2.268 ( 2.094 1.491 -5.371) 5.954 2.328 ( 0.204 4.281 -0.983) 4.397 2.427 ( 2.234 1.085 -1.557) 2.931 2.540 ( 0.019 0.853 -0.490) 0.983 2.581 ( 1.679 3.256 1.514) 3.964 2.653 ( -3.357 2.175 0.333) 4.014 2.691 ( 4.265 0.618 1.299) 4.501 2.807 ( -1.237 2.098 -2.894) 3.782 2.885 ( -1.831 -2.098 7.320) 7.831 2.952 ( 0.361 -0.507 2.717) 2.787 2.999 ( -0.212 1.099 -1.604) 1.956 3.102 ( 7.118 -0.457 0.292) 7.138 3.175 ( -0.573 -1.802 0.605) 1.985 3.205 ( -1.651 -4.150 2.145) 4.954 3.209 ( -0.609 -1.668 -1.022) 2.049 3.332 ( -3.600 -3.687 -3.652) 6.316 3.399 ( -2.634 -0.900 -1.523) 3.173 3.547 ( -0.993 -1.936 -0.265) 2.192 3.659 ( 0.583 -1.249 -6.314) 6.463 3.723 ( -0.040 0.744 0.383) 0.837 3.955 ( -0.341 0.732 1.889) 2.055 5.237 ( 0.378 0.557 -1.473) 1.620 5.502 ( -1.140 -0.199 -1.774) 2.118 5.506 ( 1.176 0.233 0.930) 1.517 5.696 ( 0.043 1.370 2.829) 3.144 5.778 ( -0.896 -0.767 1.128) 1.632 5.900 ( 0.246 -0.175 -0.736) 0.795 7.115 ( 0.235 1.226 1.636) 2.058 7.285 ( -1.194 -1.524 -0.390) 1.975 7.341 ( -1.483 -2.227 5.900) 6.478 7.457 ( -1.579 0.867 -0.390) 1.843 7.552 ( -1.174 1.968 -0.408) 2.328 7.574 ( 2.760 0.611 0.957) 2.984 7.815 ( -0.893 -0.780 -0.805) 1.433 7.837 ( -1.056 0.032 -1.450) 1.794 8.055 ( 1.523 -1.715 -1.824) 2.930 8.118 ( 1.782 -1.646 0.323) 2.447 8.317 ( -0.691 -2.503 -2.329) 3.488 8.657 ( 3.405 -9.092 3.794) 10.423 9.070 ( -7.048 6.615 -4.265) 10.565 9.215 ( 0.316 6.906 7.627) 10.294 9.624 ( -1.175 5.072 3.934) 6.525 10.241 ( 6.171 2.122 -8.485) 10.704 10.299 ( -3.400 3.279 -1.788) 5.051 10.643 ( 1.843 -1.989 -4.558) 5.304 10.872 ( -0.746 -6.005 7.492) 9.630 11.338 ( 2.446 -1.191 1.665) 3.190 11.465 ( -2.628 5.203 -2.351) 6.285 12.104 ( 1.823 -4.477 4.561) 6.646 13.166 ( -1.442 2.989 -1.147) 3.511 13.407 ( -1.470 -0.963 -3.642) 4.044 13.738 ( 4.973 -6.534 -1.511) 8.349 14.047 ( -3.226 7.660 -0.991) 8.370 14.631 ( -0.214 -3.003 0.469) 3.047 15.053 ( -2.520 -1.813 3.066) 4.363 15.273 ( 1.468 -2.078 -1.628) 3.021 15.658 ( -0.073 -0.083 -0.153) 0.189 ======================= Grid point 132 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -9.376 -2.632 2.097) 9.962 2.041 ( -12.892 -0.648 -0.044) 12.908 2.166 ( 2.461 3.118 5.433) 6.730 2.242 ( -6.250 -0.990 -3.995) 7.483 2.344 ( -2.164 1.875 -0.126) 2.866 2.423 ( -0.535 0.050 -3.087) 3.133 2.544 ( -2.668 -0.033 -1.063) 2.872 2.588 ( -4.105 1.407 -0.269) 4.348 2.646 ( 1.278 3.181 0.665) 3.492 2.733 ( 0.946 -2.300 1.758) 3.046 2.767 ( -3.823 -1.908 -1.868) 4.663 2.849 ( -0.786 -2.451 2.947) 3.913 2.936 ( -2.171 3.683 3.215) 5.349 3.050 ( 2.399 -2.686 -1.187) 3.792 3.066 ( -2.202 -2.095 -0.567) 3.092 3.174 ( 1.663 -1.487 3.352) 4.027 3.195 ( 1.864 -0.411 -0.432) 1.957 3.211 ( 2.574 -0.145 0.410) 2.610 3.338 ( 1.125 -1.176 -1.818) 2.440 3.465 ( 10.050 5.420 1.279) 11.489 3.480 ( -1.674 -1.123 -6.022) 6.350 3.701 ( 4.655 0.272 -1.321) 4.847 3.711 ( -1.551 -0.152 -0.046) 1.559 3.969 ( 0.226 0.528 2.391) 2.459 5.235 ( -0.536 0.334 -1.598) 1.718 5.466 ( -1.614 -0.229 -2.421) 2.919 5.522 ( -0.136 -0.089 1.360) 1.370 5.728 ( 1.086 0.724 3.583) 3.813 5.771 ( 0.237 -0.198 0.928) 0.978 5.902 ( 0.373 -0.031 -0.618) 0.723 7.137 ( 0.058 0.839 2.776) 2.901 7.234 ( -2.358 -1.486 -0.860) 2.917 7.287 ( -3.076 -2.460 0.403) 3.959 7.433 ( -1.992 1.275 -1.586) 2.847 7.544 ( -0.200 0.691 -0.342) 0.796 7.604 ( -0.025 -0.886 1.661) 1.883 7.832 ( 0.910 1.357 -0.169) 1.642 7.879 ( 4.813 2.511 1.483) 5.627 8.050 ( 0.892 -2.459 -0.659) 2.698 8.149 ( 2.209 0.239 1.098) 2.478 8.277 ( 0.483 -2.121 -4.492) 4.991 8.631 ( 3.243 -9.522 1.836) 10.226 8.994 ( -7.541 5.841 -1.930) 9.732 9.301 ( -0.603 5.586 6.331) 8.465 9.626 ( -5.016 3.227 3.573) 6.953 10.262 ( -3.108 2.663 -2.445) 4.767 10.333 ( 4.790 1.312 -4.656) 6.808 10.642 ( 1.673 -0.887 -7.934) 8.157 10.825 ( -0.591 -4.986 8.060) 9.496 11.374 ( 2.055 -1.775 2.888) 3.964 11.450 ( -3.096 3.823 -2.152) 5.370 12.053 ( -2.607 -6.636 2.111) 7.436 13.153 ( -3.029 3.042 -1.507) 4.550 13.416 ( 3.734 1.396 -3.391) 5.234 13.732 ( 2.440 -6.174 -2.150) 6.978 14.033 ( -4.905 5.545 -1.122) 7.487 14.681 ( 6.151 0.637 2.144) 6.545 15.055 ( 1.971 0.519 3.410) 3.972 15.280 ( 2.403 -1.971 -1.228) 3.342 15.658 ( 0.130 0.056 -0.123) 0.187 ======================= Grid point 133 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -15.504 -4.822 1.215) 16.282 1.741 ( -18.648 -3.598 0.785) 19.008 1.980 ( -18.475 -5.330 -0.040) 19.229 2.218 ( -6.842 -0.675 0.178) 6.877 2.247 ( -5.699 1.176 1.805) 6.093 2.393 ( -4.564 -1.385 -1.090) 4.892 2.414 ( -1.055 -2.250 -3.366) 4.185 2.539 ( -4.939 1.170 0.955) 5.164 2.681 ( -1.564 -1.274 -4.871) 5.272 2.719 ( 0.213 0.864 1.496) 1.741 2.764 ( 1.980 0.888 1.317) 2.538 2.814 ( 0.771 -0.919 0.777) 1.429 2.928 ( -3.247 -1.241 1.329) 3.722 2.979 ( -0.232 0.976 0.583) 1.161 3.140 ( 3.530 -1.441 2.484) 4.550 3.223 ( 2.872 0.196 0.881) 3.010 3.237 ( 3.723 1.080 -0.732) 3.945 3.286 ( 3.933 1.504 2.394) 4.843 3.337 ( 1.486 -0.522 -3.126) 3.501 3.406 ( -2.136 -0.956 -3.321) 4.062 3.666 ( -2.810 -0.701 0.413) 2.925 3.713 ( 7.213 4.094 0.548) 8.312 3.819 ( 10.555 1.533 -0.504) 10.677 3.986 ( 0.462 0.150 1.523) 1.599 5.215 ( -1.469 0.102 -1.010) 1.786 5.430 ( -1.414 0.056 -2.098) 2.530 5.511 ( -1.316 -0.618 1.876) 2.373 5.770 ( 1.652 0.588 3.177) 3.629 5.782 ( 1.007 -0.279 -0.576) 1.193 5.907 ( 0.374 0.102 -0.507) 0.638 7.145 ( -0.386 -0.702 2.078) 2.227 7.182 ( -2.992 -0.104 2.284) 3.765 7.213 ( -2.195 -1.525 -1.727) 3.182 7.405 ( -2.072 1.851 -3.520) 4.484 7.541 ( -0.649 -0.488 -0.387) 0.900 7.603 ( 0.753 -1.094 1.977) 2.382 7.871 ( 1.535 2.387 0.244) 2.849 7.984 ( 3.863 -0.791 0.729) 4.010 8.050 ( 2.163 -0.859 2.190) 3.195 8.182 ( -2.098 2.999 2.007) 4.174 8.293 ( 6.857 -1.574 -5.689) 9.048 8.599 ( 2.782 -7.968 0.412) 8.450 8.919 ( -7.130 4.814 0.946) 8.654 9.344 ( -1.223 2.677 3.645) 4.685 9.541 ( -8.360 0.650 3.035) 8.917 10.231 ( -1.758 1.309 -2.394) 3.246 10.398 ( 1.747 2.586 -0.559) 3.170 10.593 ( -1.867 -3.821 -6.414) 7.696 10.846 ( 3.978 -0.296 1.669) 4.324 11.373 ( -0.088 -3.054 1.000) 3.215 11.443 ( -1.991 3.674 2.314) 4.777 11.911 ( -6.606 -6.353 1.277) 9.253 13.121 ( -2.720 1.892 -1.295) 3.558 13.516 ( 5.618 3.285 -2.987) 7.160 13.694 ( 0.644 -4.483 -2.309) 5.084 14.002 ( -3.102 2.867 -0.064) 4.224 14.828 ( 7.887 2.054 -0.023) 8.151 15.149 ( 5.422 2.810 2.820) 6.727 15.312 ( 4.260 -2.225 0.013) 4.806 15.662 ( 0.299 0.072 -0.039) 0.310 ======================= Grid point 134 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -18.919 -4.494 1.718) 19.521 1.359 ( -22.246 -3.579 2.168) 22.636 1.553 ( -25.022 -4.759 3.604) 25.724 2.019 ( -11.159 -0.763 -4.410) 12.023 2.087 ( -11.031 -2.982 -0.464) 11.436 2.331 ( -2.014 -0.139 0.837) 2.185 2.432 ( 2.009 0.163 -1.609) 2.580 2.447 ( -6.130 -0.491 2.611) 6.681 2.655 ( 0.477 0.512 -4.930) 4.980 2.699 ( -2.999 -0.748 1.158) 3.301 2.747 ( -1.564 1.893 -0.126) 2.459 2.839 ( -1.748 -2.350 2.381) 3.774 2.916 ( 3.910 -0.854 0.915) 4.106 3.017 ( 1.062 3.292 0.349) 3.477 3.157 ( 1.802 -3.310 -0.382) 3.788 3.273 ( 0.628 1.158 0.256) 1.342 3.306 ( 2.942 1.058 -1.477) 3.458 3.357 ( 1.861 0.581 -1.088) 2.233 3.363 ( 2.229 -0.169 0.645) 2.326 3.394 ( 2.654 1.081 1.045) 3.051 3.606 ( -3.483 -0.722 0.877) 3.664 3.816 ( 3.671 0.886 2.797) 4.699 3.995 ( 0.610 -0.246 -0.333) 0.737 4.041 ( 11.179 1.710 -3.271) 11.773 5.182 ( -2.024 -0.047 -0.108) 2.028 5.408 ( -0.873 0.614 -1.186) 1.596 5.484 ( -1.626 -0.860 2.087) 2.782 5.790 ( 1.081 -0.965 -1.882) 2.375 5.814 ( 1.493 0.864 1.444) 2.250 5.912 ( 0.253 0.142 -0.437) 0.524 7.135 ( -1.377 -0.249 5.271) 5.454 7.139 ( -0.556 -1.410 -0.258) 1.537 7.190 ( -0.952 0.814 2.320) 2.637 7.372 ( -2.546 2.184 -3.990) 5.213 7.507 ( -1.882 -1.413 -0.051) 2.353 7.617 ( 1.029 -0.703 1.361) 1.846 7.927 ( 1.866 2.402 0.481) 3.079 8.002 ( 1.834 -2.710 -0.196) 3.278 8.129 ( 5.470 0.234 2.143) 5.879 8.160 ( -2.729 0.958 0.925) 3.036 8.413 ( 7.691 1.294 -2.971) 8.346 8.581 ( 2.089 -4.110 0.781) 4.676 8.856 ( -5.508 3.161 3.336) 7.173 9.334 ( -2.634 -1.171 0.754) 2.979 9.385 ( -9.542 -1.010 2.242) 9.854 10.213 ( -0.321 0.248 -1.937) 1.979 10.432 ( -3.230 1.939 3.514) 5.152 10.488 ( -1.244 -1.957 -8.859) 9.157 10.940 ( 5.790 1.507 -2.156) 6.359 11.346 ( -0.163 -2.289 2.858) 3.665 11.450 ( -1.604 1.315 2.991) 3.640 11.735 ( -8.433 -3.242 2.506) 9.376 13.095 ( -1.655 1.200 -0.219) 2.056 13.596 ( -0.089 1.333 -3.030) 3.312 13.688 ( 4.523 -0.504 -2.039) 4.987 13.982 ( -1.502 0.884 0.004) 1.743 14.964 ( 6.477 1.105 -2.827) 7.153 15.278 ( 4.167 3.340 -1.958) 5.688 15.405 ( 9.300 -2.214 4.227) 10.453 15.668 ( 0.315 -0.001 0.141) 0.345 ======================= Grid point 138 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.000 18.042 14.225) 22.975 1.168 ( -0.000 21.074 9.048) 22.934 1.429 ( -0.000 20.048 20.481) 28.660 1.742 ( 0.000 11.215 -9.327) 14.587 1.854 ( 0.000 12.463 -9.017) 15.383 2.361 ( -0.000 1.968 4.866) 5.249 2.442 ( -0.000 -1.978 0.911) 2.178 2.446 ( -0.000 4.584 4.907) 6.715 2.540 ( 0.000 -1.760 -8.169) 8.357 2.686 ( -0.000 3.130 1.436) 3.443 2.714 ( 0.000 0.047 -1.243) 1.244 2.841 ( -0.000 4.012 -0.156) 4.015 3.012 ( 0.000 -4.073 -0.484) 4.101 3.031 ( -0.000 -2.372 3.407) 4.152 3.165 ( 0.000 0.635 -1.041) 1.219 3.249 ( 0.000 -1.855 0.081) 1.857 3.322 ( 0.000 -1.485 -0.775) 1.674 3.344 ( 0.000 -3.233 -2.311) 3.975 3.437 ( -0.000 -3.029 0.824) 3.140 3.439 ( -0.000 -0.750 1.918) 2.059 3.593 ( -0.000 3.524 2.650) 4.409 3.916 ( 0.000 -2.620 -6.142) 6.677 3.966 ( 0.000 1.473 -3.279) 3.595 4.013 ( 0.000 -4.332 -5.580) 7.064 5.168 ( -0.000 0.946 1.096) 1.448 5.396 ( -0.000 -0.592 1.359) 1.482 5.512 ( -0.000 1.924 2.783) 3.383 5.758 ( 0.000 0.252 -2.973) 2.984 5.824 ( 0.000 0.397 -1.079) 1.150 5.903 ( 0.000 -0.345 -0.770) 0.844 7.138 ( -0.000 0.994 0.457) 1.094 7.224 ( -0.000 0.785 1.616) 1.797 7.237 ( 0.000 1.176 -3.593) 3.781 7.368 ( -0.000 -2.086 9.246) 9.478 7.490 ( -0.000 -3.209 3.944) 5.085 7.681 ( -0.000 -2.729 4.894) 5.603 7.963 ( -0.000 -3.289 1.173) 3.491 8.039 ( -0.000 -0.444 0.665) 0.799 8.153 ( -0.000 1.216 1.100) 1.640 8.254 ( -0.000 -5.040 1.990) 5.419 8.417 ( 0.000 -7.481 -6.028) 9.607 8.632 ( -0.000 0.283 2.661) 2.676 8.935 ( -0.000 0.007 10.300) 10.300 9.313 ( -0.000 11.088 6.381) 12.793 9.317 ( 0.000 2.087 -3.232) 3.847 10.151 ( 0.000 5.122 -20.064) 20.707 10.231 ( -0.000 -1.839 2.102) 2.793 10.436 ( -0.000 3.786 2.626) 4.608 11.016 ( -0.000 -7.506 3.068) 8.109 11.416 ( 0.000 0.693 -2.093) 2.205 11.460 ( -0.000 1.051 1.392) 1.745 11.749 ( -0.000 8.025 10.965) 13.588 13.087 ( -0.000 -0.568 1.830) 1.916 13.465 ( 0.000 4.760 -6.541) 8.090 13.723 ( 0.000 -6.282 -0.889) 6.344 13.959 ( 0.000 0.434 -0.962) 1.056 14.943 ( 0.000 -3.024 -6.440) 7.115 15.236 ( 0.000 0.453 -3.375) 3.406 15.644 ( -0.000 -10.645 3.033) 11.068 15.683 ( -0.000 -2.066 0.553) 2.139 ======================= Grid point 139 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 3.680 15.203 14.501) 21.330 1.457 ( 6.545 19.117 6.612) 21.261 1.737 ( 5.974 16.519 11.954) 21.248 1.895 ( 6.871 13.087 -5.369) 15.726 1.986 ( 3.914 13.121 -7.077) 15.413 2.379 ( -1.415 -1.056 -0.058) 1.766 2.433 ( 1.346 -0.819 4.989) 5.232 2.513 ( 0.676 0.556 -5.953) 6.017 2.527 ( 2.269 3.959 3.747) 5.904 2.715 ( 1.220 1.750 -2.005) 2.928 2.753 ( 2.302 2.571 1.057) 3.610 2.870 ( -1.158 3.221 0.675) 3.489 2.947 ( -1.571 -5.272 1.620) 5.735 3.017 ( -1.274 -0.730 0.250) 1.489 3.138 ( -1.593 -1.062 -0.312) 1.940 3.260 ( 1.043 -1.481 -0.208) 1.824 3.286 ( -0.427 -1.908 -1.234) 2.312 3.304 ( -0.428 -2.930 -1.871) 3.502 3.403 ( -0.602 -2.785 2.016) 3.490 3.438 ( 0.040 -1.670 1.463) 2.221 3.644 ( 1.035 2.871 2.340) 3.846 3.830 ( -3.057 -4.071 -9.404) 10.693 3.915 ( -3.011 -6.771 -2.633) 7.864 3.972 ( -0.194 1.649 -2.275) 2.817 5.186 ( 0.781 0.660 0.424) 1.107 5.408 ( 1.278 -0.393 1.426) 1.955 5.535 ( -0.239 1.383 1.758) 2.249 5.741 ( -1.527 1.173 -1.539) 2.464 5.825 ( 0.069 -0.085 -1.092) 1.097 5.898 ( 0.104 -0.339 -0.781) 0.858 7.131 ( -1.755 1.460 0.608) 2.363 7.256 ( 0.970 0.545 1.555) 1.912 7.273 ( 3.773 2.091 -1.124) 4.458 7.381 ( 0.739 -3.895 11.256) 11.934 7.481 ( -0.212 1.346 -1.105) 1.754 7.658 ( -1.347 -2.348 3.054) 4.081 7.940 ( 0.576 -3.326 0.732) 3.454 8.008 ( -2.676 -0.856 0.655) 2.885 8.140 ( -3.014 -0.822 -1.294) 3.382 8.189 ( -3.718 -2.052 -0.395) 4.265 8.326 ( 1.634 -7.353 -3.501) 8.306 8.635 ( -0.891 -1.326 4.287) 4.575 9.012 ( 3.494 2.706 8.560) 9.633 9.297 ( -2.947 3.083 -3.905) 5.782 9.459 ( 2.278 9.700 5.678) 11.468 10.075 ( -2.188 3.409 -14.053) 14.625 10.322 ( 6.900 -0.874 -1.938) 7.220 10.484 ( 1.476 1.540 1.875) 2.840 10.937 ( -2.513 -5.132 1.807) 5.993 11.370 ( -3.282 -0.286 -0.116) 3.297 11.504 ( 1.462 2.962 -0.060) 3.304 11.892 ( 2.240 6.650 10.561) 12.680 13.110 ( 2.258 -0.315 1.251) 2.600 13.497 ( 2.787 0.668 -4.973) 5.739 13.648 ( -2.159 -4.718 -0.825) 5.253 13.975 ( 1.522 1.344 -0.640) 2.129 14.867 ( -2.607 -3.685 -5.233) 6.911 15.229 ( 0.395 -0.516 -2.436) 2.521 15.479 ( -6.474 -10.989 2.158) 12.935 15.670 ( -0.273 -0.469 -0.096) 0.551 ======================= Grid point 140 (51/116) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 5.289 11.776 13.026) 18.339 1.790 ( 8.862 16.741 4.451) 19.458 1.997 ( 6.695 10.485 -0.879) 12.471 2.153 ( 8.288 11.997 -4.158) 15.163 2.200 ( 7.231 11.997 1.009) 14.044 2.314 ( -2.099 -3.346 -1.242) 4.140 2.488 ( 1.996 0.471 5.752) 6.107 2.522 ( 1.459 1.924 -3.416) 4.184 2.624 ( 1.966 4.655 2.643) 5.703 2.760 ( 2.750 2.129 -4.723) 5.865 2.820 ( 1.477 2.364 1.993) 3.426 2.850 ( -3.362 -0.768 1.315) 3.691 2.892 ( 0.207 -3.527 4.013) 5.347 2.981 ( -1.688 0.136 -0.724) 1.842 3.103 ( -1.472 -1.364 0.094) 2.009 3.219 ( -1.000 -3.319 -0.505) 3.503 3.242 ( -2.278 -2.337 0.108) 3.266 3.287 ( -0.174 -2.937 -0.107) 2.944 3.377 ( 0.434 -2.745 -0.655) 2.855 3.427 ( 0.277 -0.924 1.785) 2.030 3.668 ( -5.171 -7.337 -8.279) 12.212 3.695 ( 1.132 1.898 1.430) 2.632 3.775 ( -4.691 -4.957 -3.813) 7.818 3.977 ( -0.606 1.593 -0.554) 1.792 5.208 ( 1.106 0.480 -0.387) 1.266 5.439 ( 2.026 -0.133 1.481) 2.513 5.540 ( -0.801 0.691 -0.141) 1.067 5.726 ( -1.548 1.822 0.118) 2.394 5.814 ( -0.727 -0.576 -0.276) 0.968 5.894 ( 0.120 -0.323 -0.728) 0.805 7.125 ( -1.053 1.706 0.985) 2.234 7.278 ( 1.030 -1.084 1.131) 1.874 7.356 ( 1.803 0.033 6.496) 6.742 7.411 ( 3.270 0.289 4.021) 5.191 7.500 ( 0.142 2.948 -1.973) 3.550 7.617 ( -1.810 -1.803 1.877) 3.171 7.907 ( -1.947 -1.980 -0.111) 2.779 7.952 ( -2.449 -2.360 -0.423) 3.427 8.027 ( -4.502 -3.424 -3.374) 6.586 8.105 ( -1.414 -2.703 -3.905) 4.955 8.314 ( 1.883 -2.701 0.882) 3.408 8.607 ( -1.029 -3.878 4.695) 6.176 9.149 ( 4.111 4.805 7.760) 10.010 9.259 ( -3.928 3.954 -4.041) 6.885 9.611 ( 2.047 9.625 4.271) 10.727 10.064 ( 2.348 3.264 -12.448) 13.081 10.395 ( 1.361 1.658 0.208) 2.155 10.531 ( 4.326 -3.241 0.410) 5.421 10.856 ( -1.884 -3.731 -0.030) 4.179 11.320 ( -1.943 -1.041 1.556) 2.698 11.555 ( -0.322 5.345 -0.456) 5.374 12.000 ( 1.763 0.999 8.229) 8.475 13.154 ( 2.030 1.114 -0.436) 2.356 13.535 ( 5.025 -3.748 -2.985) 6.944 13.552 ( -4.377 -2.522 -0.877) 5.127 14.039 ( 2.973 3.971 0.133) 4.963 14.749 ( -4.568 -4.311 -3.887) 7.386 15.216 ( -1.421 -0.988 -1.812) 2.506 15.268 ( -5.708 -8.068 1.961) 10.076 15.662 ( -0.152 -0.341 -0.177) 0.413 ======================= Grid point 141 (52/116) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 4.133 8.259 9.836) 13.492 2.096 ( 6.590 13.270 2.471) 15.021 2.173 ( 3.954 6.465 -0.576) 7.600 2.223 ( -0.370 -2.614 -4.897) 5.563 2.361 ( 3.399 8.883 -1.831) 9.685 2.390 ( 2.864 2.623 -2.056) 4.394 2.537 ( 1.781 1.137 2.640) 3.381 2.602 ( 2.311 5.437 3.477) 6.855 2.675 ( 0.104 2.788 0.315) 2.808 2.741 ( -3.836 1.568 -2.476) 4.827 2.844 ( -1.936 1.437 -1.148) 2.670 2.878 ( 5.074 1.662 -0.061) 5.339 2.900 ( 1.721 -3.008 7.863) 8.593 2.981 ( 3.522 -1.966 0.943) 4.142 3.058 ( -2.886 0.374 0.079) 2.911 3.170 ( -0.857 -2.803 -0.018) 2.931 3.184 ( -1.274 -3.251 -0.239) 3.500 3.210 ( -3.071 -5.383 2.088) 6.539 3.337 ( -1.968 -2.663 -4.079) 5.254 3.421 ( -2.508 -2.619 -2.044) 4.162 3.517 ( 0.954 -4.408 0.450) 4.532 3.643 ( -3.651 -2.188 -7.244) 8.402 3.730 ( 0.444 1.115 0.589) 1.337 3.979 ( -0.706 1.068 0.981) 1.613 5.228 ( 0.854 0.504 -0.992) 1.403 5.481 ( 2.137 0.077 1.393) 2.552 5.522 ( -1.449 0.350 -1.524) 2.132 5.725 ( -0.866 1.536 1.133) 2.096 5.791 ( -1.069 -0.769 1.000) 1.654 5.891 ( 0.208 -0.275 -0.627) 0.716 7.135 ( -0.276 1.754 1.385) 2.252 7.271 ( -0.044 -2.516 0.220) 2.526 7.372 ( -0.994 -1.753 7.549) 7.813 7.496 ( -0.628 2.243 0.214) 2.339 7.529 ( 2.973 1.714 -0.385) 3.453 7.594 ( -0.540 2.014 0.511) 2.147 7.838 ( -3.544 -2.948 -4.012) 6.111 7.852 ( -2.649 -0.291 -0.237) 2.676 7.984 ( 2.974 -3.948 -1.692) 5.224 8.058 ( 0.215 -2.993 -2.121) 3.674 8.317 ( -0.310 -0.137 0.274) 0.436 8.562 ( -0.085 -6.159 3.830) 7.254 9.208 ( -4.495 3.926 -3.791) 7.071 9.285 ( 2.153 4.717 7.434) 9.064 9.740 ( -0.746 10.650 3.480) 11.229 10.123 ( 5.598 2.091 -9.461) 11.190 10.407 ( -3.211 4.272 0.038) 5.345 10.557 ( 3.318 -4.297 -1.749) 5.704 10.806 ( 1.146 -5.941 1.421) 6.215 11.298 ( 0.352 -1.664 2.060) 2.671 11.588 ( -3.048 7.238 -1.034) 7.921 12.029 ( 1.577 -5.341 5.143) 7.580 13.200 ( 1.286 3.469 -1.642) 4.048 13.448 ( -5.266 -0.485 -1.677) 5.548 13.572 ( 6.016 -6.497 -1.111) 8.924 14.142 ( 1.668 7.450 -0.228) 7.637 14.614 ( -3.500 -5.491 -1.230) 6.626 15.095 ( -4.428 -3.848 1.809) 6.139 15.222 ( 0.971 -2.036 -1.086) 2.504 15.658 ( -0.053 -0.132 -0.158) 0.212 ======================= Grid point 142 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -5.305 1.247 3.603) 6.533 2.177 ( 1.633 2.233 3.336) 4.334 2.238 ( -3.444 4.027 -1.817) 5.602 2.308 ( -2.276 5.526 -1.703) 6.215 2.333 ( -2.360 -2.989 -2.118) 4.358 2.468 ( 1.694 6.428 1.450) 6.804 2.575 ( 0.197 3.670 -2.832) 4.640 2.651 ( -0.789 2.551 -0.037) 2.671 2.690 ( -3.415 1.739 -0.268) 3.842 2.743 ( -1.899 0.536 0.710) 2.097 2.797 ( -0.155 -1.298 -0.887) 1.579 2.863 ( -3.925 -5.477 7.743) 10.264 2.962 ( 2.062 0.284 0.484) 2.137 3.022 ( -1.293 1.079 0.914) 1.916 3.057 ( 1.526 -1.746 -1.237) 2.629 3.136 ( 0.536 -3.952 2.788) 4.866 3.137 ( 2.843 -2.866 0.675) 4.093 3.159 ( 1.029 -2.047 -1.485) 2.731 3.294 ( 3.519 1.215 -1.923) 4.190 3.371 ( 1.860 -0.622 -1.398) 2.408 3.502 ( -2.791 -1.203 -2.447) 3.902 3.613 ( 4.378 -0.147 -2.568) 5.078 3.735 ( -0.918 0.393 0.116) 1.005 3.982 ( -0.334 0.343 1.608) 1.678 5.239 ( 0.140 0.631 -1.199) 1.362 5.489 ( -1.839 0.319 -1.672) 2.506 5.517 ( 1.259 0.039 1.078) 1.658 5.732 ( 0.004 0.445 1.582) 1.643 5.775 ( -0.500 -0.612 1.488) 1.685 5.893 ( 0.401 -0.096 -0.492) 0.642 7.156 ( -0.022 1.378 1.733) 2.214 7.235 ( -0.756 -2.427 -0.538) 2.598 7.335 ( -3.702 -1.509 2.521) 4.726 7.477 ( -1.895 1.121 0.171) 2.208 7.554 ( 0.135 -1.140 0.749) 1.371 7.621 ( -1.932 2.647 -0.443) 3.307 7.822 ( 3.440 2.115 0.137) 4.041 7.837 ( 0.869 0.732 -1.225) 1.671 8.001 ( 3.018 -2.494 -2.489) 4.639 8.040 ( 3.350 -4.787 -0.270) 5.849 8.302 ( -2.383 2.047 -0.756) 3.231 8.515 ( 1.294 -7.421 2.517) 7.942 9.150 ( -5.681 3.569 -0.837) 6.761 9.365 ( 0.582 2.572 3.967) 4.764 9.798 ( -5.906 8.890 3.497) 11.232 10.219 ( 6.840 0.423 -5.239) 8.626 10.376 ( -5.265 5.473 -1.380) 7.718 10.565 ( 2.812 -1.540 -5.796) 6.624 10.775 ( 1.795 -7.815 5.006) 9.453 11.311 ( 2.421 -2.418 1.360) 3.683 11.584 ( -5.438 7.577 -0.648) 9.349 11.995 ( 1.059 -8.487 2.869) 9.022 13.247 ( -1.892 5.546 -0.656) 5.896 13.373 ( -0.563 0.084 -3.194) 3.244 13.601 ( 4.958 -6.298 -0.540) 8.034 14.187 ( -5.622 7.329 -1.821) 9.415 14.573 ( 5.306 -3.942 1.695) 6.824 15.040 ( 0.261 -1.588 2.176) 2.706 15.220 ( 1.412 -1.781 -1.118) 2.533 15.657 ( 0.044 0.021 -0.107) 0.117 ======================= Grid point 143 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -12.842 -1.795 0.625) 12.982 2.036 ( -17.028 -0.171 0.992) 17.058 2.212 ( -11.144 -0.144 -1.549) 11.252 2.274 ( 2.383 3.821 3.849) 5.924 2.309 ( 0.630 -2.786 -1.405) 3.183 2.457 ( -9.427 2.737 -2.580) 10.150 2.523 ( -9.087 -0.659 -1.654) 9.260 2.632 ( -2.699 2.798 -1.119) 4.045 2.699 ( -3.973 -2.566 -1.701) 5.026 2.706 ( 2.347 0.504 2.986) 3.831 2.736 ( 1.880 1.493 1.864) 3.040 2.820 ( -0.260 -1.761 2.634) 3.179 2.944 ( -2.228 -3.840 -0.989) 4.549 2.999 ( -0.626 1.210 -0.759) 1.560 3.088 ( 2.236 0.351 1.964) 2.996 3.164 ( 3.863 -1.009 0.207) 3.998 3.173 ( 3.417 -1.134 1.006) 3.739 3.206 ( 5.267 -0.836 -0.130) 5.334 3.323 ( 0.426 0.752 0.183) 0.883 3.433 ( -2.725 0.438 -2.979) 4.061 3.558 ( 14.126 2.803 -0.920) 14.431 3.692 ( 4.912 -0.377 -0.068) 4.927 3.710 ( -2.281 -0.051 0.392) 2.315 3.985 ( 0.110 -0.356 1.068) 1.131 5.236 ( -0.821 0.632 -0.911) 1.380 5.456 ( -1.846 0.558 -1.293) 2.322 5.527 ( -0.382 -0.373 1.177) 1.292 5.747 ( 1.102 -0.617 1.186) 1.733 5.773 ( 0.439 -0.341 0.998) 1.142 5.899 ( 0.492 0.116 -0.393) 0.640 7.156 ( -1.151 -0.655 0.850) 1.573 7.213 ( -0.021 -0.458 -0.181) 0.493 7.255 ( -4.254 -0.519 1.639) 4.588 7.457 ( -2.176 1.665 -0.430) 2.773 7.544 ( -0.327 -0.556 0.110) 0.654 7.597 ( -1.169 -0.356 0.577) 1.351 7.871 ( 1.636 2.443 -0.253) 2.951 7.912 ( 3.420 -0.468 -0.084) 3.453 8.011 ( 1.792 -1.589 0.564) 2.461 8.110 ( 8.929 -1.558 -2.677) 9.451 8.270 ( -3.560 2.305 -0.281) 4.251 8.491 ( 2.700 -5.257 1.858) 6.195 9.078 ( -6.541 2.588 2.154) 7.357 9.384 ( -0.679 -0.037 0.270) 0.732 9.729 ( -9.711 2.714 2.427) 10.371 10.272 ( -0.981 0.277 -2.478) 2.679 10.387 ( 1.975 6.084 -0.953) 6.468 10.557 ( -0.256 -2.081 -6.257) 6.599 10.772 ( 3.735 -3.764 3.856) 6.557 11.327 ( 1.796 -2.460 -0.506) 3.088 11.557 ( -5.125 4.802 2.326) 7.399 11.926 ( -1.506 -6.040 2.002) 6.539 13.210 ( -5.165 2.355 -0.305) 5.685 13.440 ( 5.695 3.498 -2.747) 7.227 13.613 ( 2.888 -4.328 -0.948) 5.289 14.116 ( -6.766 3.127 -0.613) 7.479 14.692 ( 9.037 -0.511 -0.107) 9.052 15.083 ( 4.779 -0.270 2.381) 5.346 15.230 ( 2.158 -1.399 -0.992) 2.756 15.659 ( 0.173 0.057 -0.046) 0.188 ======================= Grid point 144 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -16.698 -0.736 0.674) 16.728 1.716 ( -20.325 -0.180 2.000) 20.424 1.939 ( -20.009 0.523 2.942) 20.231 2.203 ( -10.075 0.190 -1.965) 10.267 2.255 ( -10.688 -1.162 -1.265) 10.825 2.360 ( -0.575 -1.056 -2.483) 2.758 2.404 ( -0.806 2.619 1.250) 3.012 2.565 ( -6.728 -0.365 2.069) 7.048 2.638 ( 0.098 1.043 -5.235) 5.339 2.735 ( -0.012 0.305 4.672) 4.682 2.807 ( -1.891 1.122 1.258) 2.533 2.835 ( 4.546 -0.318 0.829) 4.632 2.861 ( -3.222 -1.500 -1.253) 3.768 3.011 ( 1.013 -0.262 -1.520) 1.845 3.104 ( 1.750 -1.492 0.421) 2.338 3.228 ( 3.283 -0.407 0.746) 3.391 3.255 ( 4.920 0.711 -0.020) 4.971 3.278 ( 4.486 -0.859 -1.820) 4.917 3.363 ( 2.166 1.350 3.506) 4.337 3.397 ( -1.993 1.563 -0.632) 2.610 3.664 ( -3.114 -0.048 0.997) 3.270 3.764 ( 3.909 -0.190 1.432) 4.167 3.813 ( 13.880 -0.351 -3.741) 14.379 3.985 ( 0.368 -0.812 -0.095) 0.897 5.217 ( -1.715 0.468 -0.285) 1.800 5.433 ( -1.346 1.148 -0.539) 1.849 5.510 ( -1.407 -0.761 1.777) 2.391 5.752 ( 0.914 -1.532 -2.080) 2.740 5.798 ( 1.718 0.071 1.767) 2.465 5.907 ( 0.380 0.204 -0.386) 0.579 7.128 ( -0.741 -1.226 -0.928) 1.707 7.188 ( -2.057 0.055 3.482) 4.044 7.229 ( -1.416 0.905 3.747) 4.106 7.433 ( -2.557 2.497 -1.765) 3.986 7.524 ( -1.445 -0.822 -0.372) 1.704 7.592 ( 1.052 -0.809 0.764) 1.531 7.914 ( 1.560 -0.986 -0.486) 1.908 7.949 ( 2.450 0.959 0.356) 2.655 8.044 ( 3.821 -1.934 0.350) 4.296 8.196 ( -0.285 -1.617 -3.612) 3.967 8.293 ( 6.143 3.439 1.459) 7.189 8.522 ( 3.131 -0.010 2.552) 4.040 8.993 ( -6.639 0.682 4.545) 8.074 9.347 ( -1.532 -2.399 -2.729) 3.943 9.558 ( -10.698 -1.863 1.039) 10.909 10.235 ( -2.183 1.134 -2.716) 3.664 10.451 ( -1.124 -4.233 -4.491) 6.273 10.513 ( -0.188 6.309 1.086) 6.405 10.848 ( 5.527 0.307 0.071) 5.536 11.324 ( 0.712 -1.140 -1.236) 1.826 11.513 ( -3.818 -0.772 3.688) 5.364 11.850 ( -4.987 0.289 3.946) 6.366 13.150 ( -3.300 0.803 0.482) 3.431 13.574 ( 6.584 2.462 -1.577) 7.204 13.610 ( 0.399 -0.400 -2.018) 2.096 14.037 ( -4.263 0.265 0.043) 4.271 14.832 ( 8.086 -0.555 -3.099) 8.677 15.206 ( 9.054 -1.330 2.780) 9.564 15.259 ( 2.494 -0.053 -1.501) 2.911 15.663 ( 0.308 0.029 0.043) 0.312 ======================= Grid point 149 (56/116) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.000 14.223 14.774) 20.508 1.604 ( -0.000 17.492 5.658) 18.384 1.889 ( -0.000 14.103 6.894) 15.697 1.948 ( 0.000 14.442 -5.492) 15.451 2.068 ( 0.000 14.568 -3.496) 14.982 2.353 ( 0.000 -4.424 -2.755) 5.212 2.455 ( -0.000 2.030 7.465) 7.737 2.504 ( 0.000 2.448 -3.643) 4.389 2.551 ( -0.000 2.543 3.228) 4.110 2.697 ( 0.000 -0.706 -1.891) 2.018 2.782 ( -0.000 5.503 1.258) 5.645 2.903 ( 0.000 -6.124 -0.538) 6.147 2.920 ( -0.000 3.776 0.300) 3.788 3.019 ( -0.000 -1.146 2.994) 3.206 3.154 ( 0.000 -0.721 -2.257) 2.370 3.227 ( -0.000 -0.984 0.146) 0.994 3.250 ( 0.000 -3.488 -3.044) 4.629 3.286 ( -0.000 -2.370 1.025) 2.582 3.388 ( -0.000 -2.822 1.947) 3.428 3.427 ( -0.000 -1.583 1.800) 2.397 3.670 ( -0.000 2.470 1.891) 3.111 3.766 ( 0.000 -6.825 -11.699) 13.545 3.866 ( 0.000 -6.561 -1.712) 6.781 3.986 ( 0.000 2.199 -1.701) 2.780 5.184 ( -0.000 0.102 0.254) 0.274 5.399 ( -0.000 -0.091 1.610) 1.612 5.554 ( -0.000 0.984 0.757) 1.241 5.766 ( 0.000 1.576 -0.362) 1.617 5.820 ( 0.000 0.098 -1.510) 1.513 5.891 ( 0.000 -0.249 -0.681) 0.725 7.182 ( -0.000 2.235 2.150) 3.102 7.220 ( 0.000 1.025 -4.995) 5.099 7.279 ( -0.000 1.512 4.602) 4.844 7.377 ( -0.000 -3.781 11.005) 11.637 7.492 ( 0.000 1.882 -1.754) 2.573 7.659 ( -0.000 -1.787 1.847) 2.569 7.899 ( -0.000 -3.648 0.427) 3.673 8.030 ( 0.000 -0.525 -0.035) 0.526 8.178 ( 0.000 1.060 -0.359) 1.119 8.180 ( 0.000 -7.164 -8.111) 10.822 8.221 ( -0.000 -4.568 3.437) 5.717 8.664 ( -0.000 0.484 3.664) 3.696 9.022 ( -0.000 2.379 6.324) 6.757 9.335 ( 0.000 2.152 -3.598) 4.193 9.540 ( -0.000 7.259 6.322) 9.626 10.100 ( 0.000 4.105 -18.260) 18.715 10.207 ( -0.000 -2.024 2.187) 2.980 10.494 ( -0.000 -1.353 2.799) 3.109 10.948 ( -0.000 -0.336 3.851) 3.865 11.415 ( 0.000 0.672 -1.992) 2.102 11.473 ( 0.000 -0.158 -0.723) 0.740 12.004 ( -0.000 9.007 9.803) 13.313 13.087 ( -0.000 -0.601 1.593) 1.703 13.436 ( 0.000 -4.297 -4.462) 6.195 13.648 ( -0.000 -0.111 0.364) 0.380 13.961 ( 0.000 0.471 -0.789) 0.919 14.838 ( 0.000 -3.563 -4.112) 5.441 15.214 ( 0.000 -0.713 -1.142) 1.347 15.430 ( 0.000 -10.368 -0.131) 10.369 15.667 ( 0.000 -0.578 -0.158) 0.599 ======================= Grid point 150 (57/116) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 1.833 11.502 14.017) 18.224 1.836 ( 5.917 15.275 3.737) 16.802 2.016 ( 2.070 8.539 -3.583) 9.488 2.134 ( 6.002 12.880 -3.513) 14.638 2.235 ( 2.743 10.743 1.095) 11.142 2.297 ( -0.455 -2.010 -2.096) 2.939 2.488 ( 0.626 -0.461 4.459) 4.526 2.542 ( 0.027 5.342 1.470) 5.540 2.615 ( 3.659 2.291 2.383) 4.930 2.706 ( 2.658 -0.301 -2.743) 3.832 2.833 ( -0.688 -4.807 -0.283) 4.864 2.847 ( 0.092 4.182 2.804) 5.035 2.938 ( -2.102 2.865 1.007) 3.693 3.016 ( -1.195 0.120 1.777) 2.145 3.114 ( -1.573 -1.060 -1.501) 2.419 3.192 ( -0.407 -4.136 -0.129) 4.158 3.249 ( -0.231 -2.192 -1.204) 2.511 3.253 ( 0.403 -1.238 0.487) 1.390 3.355 ( -1.197 -3.187 1.669) 3.792 3.420 ( 0.168 -1.107 1.731) 2.062 3.620 ( -2.667 -9.753 -9.711) 14.019 3.702 ( 0.632 1.647 1.174) 2.119 3.778 ( -2.616 -4.324 -3.978) 6.432 4.000 ( -0.345 1.948 -0.928) 2.185 5.191 ( 0.887 -0.109 -0.015) 0.894 5.416 ( 1.194 0.033 1.629) 2.020 5.558 ( -0.573 0.638 -0.414) 0.952 5.769 ( -1.282 1.685 0.007) 2.117 5.815 ( -0.121 -0.127 -0.951) 0.967 5.888 ( 0.038 -0.166 -0.541) 0.567 7.172 ( -1.954 1.859 0.126) 2.700 7.249 ( 1.497 -0.287 -0.492) 1.602 7.337 ( 2.857 1.990 3.535) 4.961 7.387 ( 1.243 -2.551 8.752) 9.201 7.513 ( 0.651 2.514 -1.381) 2.941 7.639 ( -1.418 -0.558 1.114) 1.888 7.870 ( 0.584 -3.642 -0.338) 3.704 7.986 ( -2.708 -3.940 -1.541) 5.023 8.048 ( -3.588 -4.226 -7.087) 8.997 8.126 ( -4.180 -0.154 -0.472) 4.210 8.254 ( 3.123 -1.557 2.865) 4.515 8.645 ( -3.439 -0.833 3.819) 5.207 9.120 ( 5.449 2.976 4.165) 7.476 9.326 ( -1.842 2.328 -2.904) 4.153 9.657 ( 3.576 6.318 4.358) 8.467 10.057 ( -1.467 5.017 -12.748) 13.778 10.275 ( 7.448 -2.424 -0.323) 7.839 10.478 ( 0.612 -4.477 3.396) 5.653 10.930 ( -5.273 2.860 2.152) 6.374 11.363 ( -3.401 -0.279 -0.249) 3.422 11.531 ( 4.930 0.471 -1.711) 5.240 12.086 ( -3.110 5.650 7.284) 9.729 13.115 ( 2.876 0.177 0.583) 2.940 13.392 ( 2.734 -6.496 -2.248) 7.398 13.629 ( -3.344 1.265 0.407) 3.599 13.999 ( 3.857 1.319 -0.143) 4.079 14.766 ( -3.006 -3.294 -3.292) 5.543 15.205 ( 0.105 -0.676 -0.410) 0.797 15.292 ( -4.691 -7.879 -0.745) 9.200 15.660 ( -0.112 -0.396 -0.158) 0.441 ======================= Grid point 151 (58/116) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 2.632 8.599 11.721) 14.774 2.098 ( 5.176 4.600 -2.169) 7.257 2.127 ( 7.904 9.824 -1.813) 12.738 2.219 ( -1.660 -0.611 -0.856) 1.965 2.350 ( 5.443 7.799 -1.720) 9.664 2.392 ( 2.635 6.650 -2.452) 7.562 2.525 ( 2.160 0.799 3.932) 4.557 2.606 ( 3.149 0.310 2.040) 3.765 2.707 ( 0.547 4.173 1.517) 4.473 2.753 ( 2.194 2.001 -4.432) 5.335 2.787 ( 2.722 -4.470 1.543) 5.456 2.896 ( -1.091 4.853 0.036) 4.974 2.928 ( -1.922 2.047 6.863) 7.415 2.979 ( -3.234 -0.086 0.935) 3.367 3.087 ( -0.633 -0.568 -0.340) 0.916 3.150 ( -0.483 -2.775 0.042) 2.817 3.184 ( -2.223 -4.212 0.487) 4.787 3.224 ( -3.267 -4.311 1.943) 5.747 3.319 ( -0.184 -1.165 -4.023) 4.193 3.423 ( -0.701 -1.415 0.281) 1.604 3.447 ( -0.749 -8.178 -3.073) 8.768 3.669 ( -3.903 -1.654 -5.738) 7.134 3.733 ( 0.663 0.877 0.431) 1.181 4.004 ( -0.733 1.144 -0.137) 1.365 5.210 ( 1.276 0.099 -0.185) 1.293 5.449 ( 2.007 -0.019 1.489) 2.499 5.545 ( -1.216 0.526 -1.214) 1.797 5.760 ( -1.344 1.296 -0.444) 1.919 5.804 ( -0.759 -0.462 0.417) 0.981 5.885 ( 0.031 -0.151 -0.348) 0.381 7.166 ( -0.878 1.587 0.225) 1.828 7.250 ( -0.039 -1.953 1.044) 2.215 7.380 ( 0.634 -2.073 5.580) 5.986 7.464 ( 4.440 1.457 1.842) 5.023 7.557 ( 0.867 3.984 0.147) 4.080 7.614 ( -1.516 0.957 0.049) 1.793 7.822 ( -1.349 -4.339 -3.632) 5.817 7.890 ( 0.595 -5.660 -3.118) 6.489 7.938 ( -5.974 0.162 0.117) 5.977 8.061 ( -2.736 0.057 -1.788) 3.269 8.297 ( 2.418 -0.890 1.578) 3.022 8.572 ( -4.188 -2.579 2.837) 5.677 9.244 ( 3.400 2.222 -2.629) 4.838 9.316 ( -0.772 2.025 4.081) 4.620 9.815 ( 5.543 7.821 1.768) 9.747 10.064 ( 0.207 4.730 -8.492) 9.723 10.384 ( 7.569 -2.198 0.577) 7.903 10.460 ( 1.779 -4.868 2.768) 5.875 10.840 ( -7.758 1.640 -0.555) 7.949 11.310 ( -2.284 -0.929 1.407) 2.839 11.620 ( 4.692 1.997 -1.782) 5.402 12.053 ( -5.996 -0.279 4.061) 7.247 13.184 ( 3.405 2.752 -1.158) 4.529 13.392 ( 5.324 -6.815 0.747) 8.680 13.561 ( -5.868 1.098 -0.542) 5.995 14.118 ( 6.926 3.351 0.686) 7.725 14.647 ( -5.836 -3.423 -2.308) 7.149 15.138 ( -5.170 -4.652 -0.260) 6.960 15.199 ( 0.035 -0.656 -0.119) 0.668 15.656 ( -0.009 -0.148 -0.112) 0.186 ======================= Grid point 152 (59/116) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -1.944 2.093 5.678) 6.356 2.129 ( 4.067 -1.514 -3.703) 5.705 2.239 ( 1.553 2.419 2.781) 4.000 2.339 ( 1.519 4.602 -3.818) 6.169 2.444 ( 2.482 6.869 0.673) 7.334 2.479 ( 0.756 1.928 3.345) 3.934 2.579 ( 1.891 1.612 -3.650) 4.415 2.666 ( 4.491 -1.358 0.468) 4.715 2.702 ( -3.217 2.254 -0.705) 3.991 2.775 ( 0.545 0.696 0.382) 0.963 2.815 ( -0.676 -3.587 -0.082) 3.651 2.892 ( -3.354 0.920 1.740) 3.889 2.972 ( 1.924 3.164 0.227) 3.710 2.984 ( 2.065 2.612 5.450) 6.387 3.059 ( -1.164 -2.248 -0.321) 2.552 3.098 ( -3.583 -4.984 0.729) 6.181 3.114 ( -1.179 -3.014 0.836) 3.343 3.127 ( -0.260 -2.091 -0.386) 2.143 3.253 ( -1.021 -2.098 -2.125) 3.156 3.359 ( -0.976 -0.297 -2.793) 2.974 3.485 ( 3.947 -1.306 2.250) 4.727 3.584 ( -2.727 1.130 -4.847) 5.675 3.747 ( 0.079 0.301 0.082) 0.321 3.997 ( -0.805 0.108 0.344) 0.882 5.232 ( 0.949 0.448 -0.266) 1.083 5.490 ( 2.141 -0.210 1.101) 2.417 5.520 ( -1.707 0.567 -1.234) 2.181 5.749 ( -0.919 0.686 -0.391) 1.212 5.784 ( -0.961 -1.008 1.021) 1.728 5.885 ( 0.215 0.012 -0.178) 0.279 7.174 ( -0.000 1.490 0.280) 1.516 7.222 ( -0.797 -2.573 0.548) 2.749 7.372 ( -1.075 -2.214 2.743) 3.685 7.521 ( 1.363 -0.248 0.301) 1.417 7.541 ( -3.747 0.928 -1.121) 4.020 7.679 ( 2.250 4.260 0.583) 4.853 7.778 ( 1.454 -0.127 -1.144) 1.854 7.844 ( -1.296 -0.607 -0.402) 1.486 7.879 ( 1.569 -3.519 -1.026) 3.987 8.020 ( -1.451 -0.166 -1.026) 1.785 8.334 ( 1.576 1.154 0.265) 1.972 8.477 ( -3.575 -4.287 1.509) 5.782 9.246 ( -2.449 1.963 -2.220) 3.845 9.364 ( 1.614 -0.324 3.167) 3.569 9.988 ( -1.321 11.067 3.393) 11.650 10.075 ( 5.152 -2.518 -5.456) 7.915 10.467 ( 1.829 0.374 0.663) 1.981 10.486 ( 4.290 -0.411 -0.444) 4.332 10.715 ( -4.874 -3.151 -0.296) 5.811 11.279 ( -0.488 -1.282 1.212) 1.831 11.712 ( 1.743 6.017 -1.787) 6.514 11.927 ( -4.750 -6.914 2.297) 8.697 13.274 ( 3.090 4.873 -1.031) 5.861 13.439 ( 6.291 -5.013 1.480) 8.179 13.453 ( -6.760 0.110 -1.368) 6.898 14.288 ( 5.944 6.671 0.018) 8.935 14.492 ( -5.482 -5.664 -0.398) 7.893 15.040 ( -2.215 -2.040 0.246) 3.021 15.194 ( 0.193 -0.440 -0.172) 0.510 15.656 ( 0.043 0.011 -0.056) 0.071 ======================= Grid point 153 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -8.267 -1.434 0.579) 8.411 2.191 ( 4.037 -2.238 -2.589) 5.293 2.292 ( -10.122 1.085 -1.182) 10.248 2.300 ( 1.218 1.702 4.283) 4.767 2.370 ( -5.572 1.376 1.686) 5.982 2.551 ( 0.014 -3.866 -5.939) 7.086 2.658 ( -1.007 5.336 2.525) 5.989 2.680 ( -1.771 1.135 -0.878) 2.280 2.693 ( -2.865 -0.961 -1.038) 3.195 2.724 ( 0.319 -0.352 -0.232) 0.529 2.762 ( -2.746 -0.352 1.996) 3.413 2.805 ( -2.332 -3.975 3.855) 6.008 2.970 ( -3.330 0.066 -0.440) 3.359 3.025 ( -1.984 1.221 -1.242) 2.640 3.061 ( 3.389 -1.165 0.500) 3.619 3.081 ( 3.129 -0.846 0.630) 3.302 3.110 ( 2.114 -1.936 0.164) 2.871 3.132 ( 2.770 1.669 0.886) 3.353 3.303 ( 5.054 0.415 -1.360) 5.250 3.364 ( 4.646 0.633 -0.645) 4.733 3.491 ( -2.290 1.273 -0.647) 2.698 3.613 ( 4.315 1.095 -0.032) 4.452 3.740 ( -1.053 -0.025 0.177) 1.068 3.984 ( -0.451 -0.802 0.298) 0.967 5.246 ( 0.106 0.603 -0.305) 0.685 5.492 ( -1.841 0.692 -0.718) 2.093 5.520 ( 1.163 -0.417 0.580) 1.365 5.741 ( -0.486 -0.314 0.904) 1.073 5.763 ( -0.055 -1.161 -0.063) 1.164 5.892 ( 0.419 0.238 -0.125) 0.498 7.173 ( -1.594 -1.385 -0.120) 2.115 7.203 ( 0.934 0.619 0.139) 1.129 7.319 ( -3.082 -1.149 0.542) 3.333 7.495 ( -1.564 -0.207 0.989) 1.861 7.537 ( 0.567 -0.130 -0.001) 0.582 7.657 ( -4.764 0.487 0.986) 4.889 7.841 ( 3.213 0.391 -1.138) 3.431 7.868 ( 1.883 -2.284 -0.549) 3.010 7.926 ( 6.215 3.636 -2.605) 7.657 8.009 ( 1.260 -0.042 1.506) 1.964 8.354 ( -3.842 2.159 -1.163) 4.558 8.411 ( 2.771 -3.192 2.062) 4.703 9.203 ( -4.606 1.195 2.586) 5.415 9.368 ( 0.408 -2.599 -1.962) 3.282 9.907 ( -8.963 -2.451 0.647) 9.315 10.218 ( 6.523 3.258 -0.675) 7.322 10.465 ( -3.531 0.760 0.175) 3.616 10.537 ( 0.389 4.306 -3.700) 5.690 10.669 ( 4.312 -3.953 2.277) 6.277 11.279 ( 1.329 -0.715 -0.312) 1.541 11.712 ( -7.958 1.630 1.280) 8.224 11.861 ( 4.177 -2.629 0.556) 4.967 13.325 ( -6.143 -0.311 0.243) 6.156 13.380 ( 3.739 2.647 -1.031) 4.696 13.513 ( 5.161 -0.319 -0.358) 5.183 14.285 ( -9.824 1.632 0.051) 9.959 14.510 ( 10.420 -1.555 -0.416) 10.544 15.022 ( 1.492 -1.017 0.381) 1.845 15.202 ( 0.880 0.490 -0.090) 1.011 15.657 ( 0.074 0.049 -0.019) 0.091 ======================= Grid point 154 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -12.659 0.502 0.313) 12.672 2.046 ( -16.931 0.011 1.751) 17.021 2.183 ( -2.607 -2.442 -1.756) 3.980 2.272 ( -5.017 0.311 1.690) 5.303 2.360 ( -2.257 1.398 2.058) 3.359 2.439 ( -7.753 -1.157 -4.059) 8.827 2.515 ( -7.567 1.139 -0.548) 7.672 2.628 ( -1.268 -1.137 -3.554) 3.941 2.668 ( -4.331 -0.765 1.095) 4.532 2.726 ( 2.550 -3.234 1.860) 4.519 2.771 ( 0.228 1.816 3.503) 3.952 2.829 ( 0.889 0.952 2.902) 3.181 2.949 ( -5.017 4.105 -2.061) 6.802 2.981 ( 1.045 -0.343 -1.906) 2.200 3.061 ( 0.687 -2.702 -0.117) 2.790 3.155 ( 6.180 -0.219 1.194) 6.298 3.178 ( 3.805 0.314 0.057) 3.819 3.201 ( 3.094 1.023 -0.356) 3.278 3.346 ( 1.828 0.284 1.697) 2.510 3.455 ( -1.172 1.886 -0.864) 2.382 3.549 ( 11.877 -1.579 -1.927) 12.135 3.699 ( 4.319 0.657 0.108) 4.370 3.714 ( -2.008 0.066 0.766) 2.150 3.970 ( 0.018 -1.312 -0.179) 1.324 5.244 ( -0.900 0.502 -0.261) 1.063 5.470 ( -1.570 1.243 -0.015) 2.003 5.524 ( -0.279 -0.660 0.720) 1.016 5.722 ( -0.228 -1.850 -0.755) 2.011 5.771 ( 1.499 -0.414 0.676) 1.696 5.902 ( 0.418 0.315 -0.221) 0.568 7.130 ( -1.295 -1.416 -1.025) 2.175 7.227 ( -0.307 1.563 2.378) 2.862 7.275 ( -1.717 0.098 2.186) 2.781 7.475 ( -1.011 -0.641 1.252) 1.732 7.542 ( -0.615 0.959 -0.359) 1.195 7.590 ( -2.378 -0.810 -0.115) 2.515 7.865 ( 1.268 -2.268 -0.706) 2.693 7.897 ( 4.211 -1.708 -1.692) 4.849 7.999 ( 0.972 2.830 -0.222) 3.000 8.112 ( 5.883 1.734 -2.195) 6.515 8.299 ( -1.248 0.237 1.610) 2.051 8.489 ( 3.880 3.644 2.100) 5.722 9.125 ( -6.544 -0.936 5.971) 8.908 9.318 ( -0.663 -4.546 -5.242) 6.970 9.701 ( -9.520 -5.619 0.088) 11.055 10.279 ( -1.682 2.456 -2.991) 4.220 10.412 ( -0.500 -4.427 -0.093) 4.456 10.580 ( -0.179 7.268 -1.777) 7.484 10.757 ( 5.875 0.077 2.415) 6.352 11.300 ( 1.204 0.954 -1.881) 2.429 11.579 ( -5.386 -4.694 2.357) 7.523 11.928 ( 0.308 4.749 2.776) 5.509 13.218 ( -4.580 -1.362 0.138) 4.780 13.466 ( 5.049 -1.304 -0.214) 5.219 13.607 ( 3.060 5.788 -1.366) 6.688 14.133 ( -7.419 -1.825 0.866) 7.689 14.662 ( 8.944 -1.048 -2.649) 9.387 15.064 ( 4.795 -2.282 0.673) 5.353 15.238 ( 1.823 2.248 -0.262) 2.906 15.659 ( 0.174 0.020 0.001) 0.175 ======================= Grid point 160 (62/116) ======================= q-point: ( 0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -0.000 9.165 13.676) 16.463 1.929 ( -0.000 12.385 2.025) 12.549 2.033 ( 0.000 2.003 -6.672) 6.966 2.200 ( 0.000 12.365 -1.620) 12.470 2.258 ( 0.000 -0.979 -1.629) 1.900 2.335 ( -0.000 8.413 -0.307) 8.418 2.490 ( -0.000 -0.825 4.272) 4.351 2.560 ( -0.000 -3.371 0.585) 3.421 2.648 ( -0.000 9.479 3.436) 10.083 2.661 ( 0.000 -1.809 -1.367) 2.267 2.797 ( 0.000 -3.437 -0.123) 3.439 2.914 ( -0.000 6.399 2.160) 6.754 2.984 ( -0.000 2.033 0.034) 2.033 3.038 ( -0.000 0.946 3.977) 4.088 3.113 ( 0.000 -1.105 -1.877) 2.178 3.156 ( -0.000 -3.447 0.484) 3.481 3.231 ( -0.000 -4.367 2.944) 5.266 3.236 ( 0.000 1.499 -2.444) 2.867 3.350 ( -0.000 -2.673 2.505) 3.663 3.407 ( -0.000 -2.410 0.172) 2.416 3.507 ( 0.000 -9.837 -8.551) 13.034 3.714 ( -0.000 1.035 0.679) 1.238 3.750 ( 0.000 -2.535 -5.146) 5.737 4.018 ( 0.000 1.673 -1.113) 2.010 5.181 ( -0.000 -0.314 0.349) 0.469 5.411 ( -0.000 -0.003 1.613) 1.613 5.566 ( 0.000 0.488 -0.812) 0.947 5.797 ( -0.000 1.169 0.218) 1.189 5.810 ( 0.000 0.145 -1.706) 1.713 5.886 ( 0.000 0.033 -0.382) 0.384 7.207 ( 0.000 0.989 -3.974) 4.095 7.236 ( -0.000 1.152 2.149) 2.438 7.338 ( -0.000 0.805 4.298) 4.372 7.375 ( -0.000 -3.090 6.959) 7.614 7.523 ( 0.000 1.431 -0.429) 1.494 7.662 ( -0.000 2.458 0.730) 2.565 7.834 ( 0.000 -2.599 -0.227) 2.609 7.916 ( 0.000 -9.073 -6.715) 11.288 8.060 ( 0.000 1.639 -2.327) 2.846 8.192 ( 0.000 0.929 -1.263) 1.568 8.197 ( -0.000 -2.712 4.371) 5.144 8.695 ( -0.000 -0.283 4.087) 4.097 9.091 ( 0.000 1.771 -0.451) 1.827 9.350 ( 0.000 1.944 -3.593) 4.085 9.676 ( -0.000 2.603 3.692) 4.517 10.091 ( 0.000 6.669 -12.103) 13.819 10.185 ( -0.000 -1.673 2.065) 2.658 10.434 ( -0.000 -6.255 6.200) 8.807 11.034 ( -0.000 4.163 3.107) 5.195 11.416 ( 0.000 0.662 -1.685) 1.810 11.444 ( 0.000 -1.030 -2.883) 3.061 12.197 ( -0.000 4.579 4.562) 6.463 13.085 ( -0.000 -0.580 1.273) 1.399 13.307 ( 0.000 -4.888 -0.985) 4.986 13.677 ( -0.000 0.982 2.179) 2.390 13.965 ( 0.000 0.398 -0.610) 0.729 14.755 ( 0.000 -2.153 -2.760) 3.501 15.201 ( -0.000 -0.191 0.189) 0.269 15.259 ( 0.000 -5.720 -1.791) 5.994 15.657 ( 0.000 -0.347 -0.093) 0.359 ======================= Grid point 161 (63/116) ======================= q-point: ( 0.60 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 1.474 3.451 10.341) 11.001 2.023 ( 1.560 -0.607 -4.685) 4.975 2.094 ( 6.558 7.779 0.683) 10.197 2.244 ( -0.770 1.542 -1.296) 2.157 2.337 ( 3.691 6.449 -1.171) 7.522 2.399 ( 1.570 3.943 -3.110) 5.261 2.507 ( 1.076 -1.252 3.851) 4.190 2.541 ( 2.099 -2.836 1.184) 3.721 2.670 ( 3.419 -1.847 -1.063) 4.029 2.754 ( 0.629 3.504 0.807) 3.650 2.765 ( 0.052 1.122 1.138) 1.599 2.973 ( -1.339 5.363 0.102) 5.529 2.983 ( -0.748 -0.402 1.489) 1.714 3.053 ( -1.687 0.661 3.136) 3.621 3.090 ( -1.438 0.659 1.785) 2.385 3.134 ( -0.074 -1.726 0.856) 1.927 3.186 ( -2.124 -2.513 1.498) 3.615 3.242 ( -1.506 -1.060 -1.214) 2.206 3.299 ( -1.006 -3.038 -2.465) 4.040 3.361 ( 1.029 -5.859 -0.544) 5.974 3.426 ( -0.957 -0.932 -1.652) 2.125 3.696 ( -2.314 0.018 -5.031) 5.537 3.728 ( 0.574 0.309 -0.033) 0.653 4.023 ( -0.464 0.860 -1.107) 1.476 5.190 ( 1.022 -0.080 0.639) 1.208 5.426 ( 1.148 -0.257 1.464) 1.878 5.562 ( -0.631 0.403 -1.169) 1.389 5.790 ( -1.197 0.809 -1.350) 1.977 5.810 ( -0.179 -0.118 -0.367) 0.425 5.885 ( -0.078 0.082 -0.135) 0.175 7.193 ( -0.979 1.242 -2.110) 2.637 7.244 ( -0.431 -0.986 1.447) 1.804 7.357 ( 0.756 -2.248 2.614) 3.530 7.406 ( 3.943 -0.579 3.664) 5.413 7.544 ( 1.746 0.507 0.117) 1.822 7.687 ( -2.485 4.915 -0.447) 5.526 7.790 ( -1.268 -4.633 -2.962) 5.644 7.827 ( 0.648 -2.917 -1.401) 3.300 8.038 ( -4.137 1.630 -0.628) 4.490 8.121 ( -4.203 -0.355 -0.075) 4.219 8.243 ( 2.934 -1.263 1.388) 3.483 8.649 ( -5.185 -1.201 2.697) 5.966 9.156 ( 5.815 0.215 -4.082) 7.108 9.354 ( -0.336 1.582 -0.376) 1.660 9.748 ( 5.600 1.332 -0.570) 5.784 10.121 ( -0.855 7.826 -5.158) 9.412 10.235 ( 6.044 -1.562 0.635) 6.274 10.405 ( 0.691 -5.521 7.944) 9.699 11.005 ( -7.195 1.934 -0.279) 7.455 11.358 ( -3.292 0.023 0.317) 3.307 11.513 ( 6.215 -0.022 -3.076) 6.934 12.183 ( -5.805 0.571 1.070) 5.931 13.128 ( 4.633 0.634 0.487) 4.701 13.283 ( 1.489 -3.123 1.543) 3.788 13.658 ( -3.781 0.494 1.878) 4.250 14.019 ( 5.746 0.532 0.236) 5.776 14.703 ( -3.444 -0.784 -2.269) 4.198 15.172 ( -2.981 -2.653 -3.170) 5.096 15.205 ( -1.004 -0.027 2.037) 2.271 15.654 ( 0.021 -0.117 -0.024) 0.121 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.598 -8.373 -2.055) 9.005 2.105 ( 1.858 6.149 5.582) 8.510 2.247 ( 0.565 -0.064 0.844) 1.017 2.281 ( 8.695 -0.849 -0.342) 8.743 2.380 ( 1.561 -0.126 -4.647) 4.904 2.483 ( 2.694 -0.097 2.714) 3.825 2.536 ( 3.603 2.546 -1.823) 4.773 2.607 ( 5.322 0.569 2.817) 6.049 2.695 ( 1.280 -3.178 0.933) 3.551 2.750 ( 0.666 1.192 -1.805) 2.263 2.809 ( 0.139 -1.088 -1.669) 1.997 2.948 ( -1.782 -4.343 1.925) 5.074 2.968 ( -1.589 0.596 -0.117) 1.701 3.029 ( -1.344 -2.153 0.691) 2.630 3.085 ( -4.092 2.497 1.476) 5.016 3.107 ( 0.117 -1.771 -0.229) 1.789 3.126 ( -1.438 0.205 1.670) 2.213 3.157 ( -4.752 0.334 -0.206) 4.769 3.290 ( -2.350 4.056 0.357) 4.701 3.360 ( 0.677 1.111 -3.144) 3.403 3.418 ( 2.081 -1.386 2.909) 3.836 3.643 ( -3.246 2.479 -3.589) 5.437 3.739 ( 0.685 -0.305 -0.205) 0.778 4.011 ( -0.873 -0.093 -0.868) 1.234 5.215 ( 1.403 0.239 0.738) 1.603 5.453 ( 1.954 -0.584 1.150) 2.341 5.546 ( -1.121 0.408 -1.113) 1.632 5.771 ( -1.209 0.719 -1.722) 2.223 5.794 ( -1.005 -0.933 0.100) 1.375 5.885 ( -0.021 0.204 0.148) 0.253 7.187 ( -0.329 0.854 -1.143) 1.464 7.219 ( -1.075 -1.877 1.130) 2.441 7.351 ( 0.814 -2.850 0.221) 2.972 7.477 ( 3.376 -0.559 0.667) 3.487 7.595 ( 2.394 -1.969 -1.983) 3.679 7.630 ( -1.890 0.373 -1.717) 2.581 7.787 ( -0.020 3.691 2.359) 4.381 7.828 ( 0.817 1.112 0.046) 1.381 7.951 ( -6.831 0.565 1.796) 7.086 8.057 ( -2.940 0.599 -1.767) 3.482 8.288 ( 3.299 -0.856 0.694) 3.478 8.540 ( -5.926 -1.621 0.006) 6.143 9.220 ( 4.086 -0.981 -6.479) 7.722 9.366 ( -0.507 -0.206 3.954) 3.991 9.881 ( 9.445 -1.129 -3.471) 10.126 10.152 ( -3.212 5.945 1.234) 6.869 10.349 ( 8.387 -1.139 0.319) 8.470 10.422 ( 2.575 -1.034 6.129) 6.728 10.854 ( -9.888 -0.251 -2.254) 10.145 11.306 ( -2.912 -0.324 1.276) 3.196 11.624 ( 7.610 0.378 -2.876) 8.144 12.038 ( -9.225 -2.394 -0.923) 9.575 13.249 ( 7.075 2.731 -0.801) 7.626 13.297 ( 2.059 -2.183 2.999) 4.243 13.580 ( -6.182 0.527 1.162) 6.312 14.157 ( 9.325 -0.505 0.798) 9.372 14.607 ( -7.163 1.311 -1.171) 7.376 15.083 ( -4.134 -0.144 -1.424) 4.375 15.197 ( -0.601 0.212 0.733) 0.971 15.655 ( 0.057 0.054 0.019) 0.081 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 2.096 -8.097 -1.443) 8.487 2.170 ( -2.510 2.489 1.353) 3.785 2.267 ( 4.368 -2.800 3.201) 6.096 2.341 ( 3.080 -4.458 -3.048) 6.216 2.400 ( 3.251 -2.558 -3.746) 5.580 2.491 ( -2.380 -2.277 5.116) 6.085 2.656 ( 2.219 -7.004 3.015) 7.942 2.668 ( 5.290 2.526 0.469) 5.881 2.701 ( -0.819 -1.203 -1.002) 1.767 2.727 ( 0.003 3.081 -1.934) 3.638 2.796 ( 0.363 0.099 -4.103) 4.121 2.833 ( -4.570 -4.610 -1.052) 6.576 2.966 ( 2.429 -2.773 0.212) 3.693 2.998 ( 1.871 -3.484 3.585) 5.338 3.068 ( -3.247 4.241 -0.832) 5.406 3.092 ( -1.151 -0.997 -0.675) 1.666 3.106 ( -2.795 3.395 0.690) 4.451 3.134 ( 0.455 3.065 0.528) 3.144 3.293 ( -3.011 5.441 0.768) 6.266 3.363 ( -0.977 2.776 -0.775) 3.044 3.480 ( 3.726 -0.462 1.241) 3.955 3.619 ( -1.922 3.910 -0.906) 4.450 3.743 ( 0.332 -0.706 -0.265) 0.824 3.988 ( -0.986 -0.838 -0.447) 1.369 5.242 ( 0.950 0.301 0.509) 1.119 5.484 ( 1.965 -0.834 0.514) 2.196 5.526 ( -1.309 0.503 -0.518) 1.495 5.753 ( -0.522 -0.410 -1.392) 1.543 5.761 ( -1.578 -0.710 0.380) 1.772 5.890 ( 0.173 0.413 0.202) 0.491 7.172 ( -0.780 -2.583 0.129) 2.702 7.206 ( 0.241 1.822 -0.562) 1.922 7.328 ( -0.225 -2.429 -1.117) 2.683 7.509 ( 0.262 -0.932 -1.313) 1.632 7.538 ( -1.233 0.093 -0.273) 1.266 7.668 ( 3.139 -4.332 -0.942) 5.432 7.822 ( -1.603 3.275 2.391) 4.360 7.860 ( -3.326 -0.051 0.914) 3.450 7.903 ( 3.346 6.217 1.539) 7.226 8.023 ( -1.507 1.543 -1.016) 2.384 8.342 ( 3.224 -1.747 1.097) 3.828 8.435 ( -4.329 1.226 -2.279) 5.044 9.240 ( 1.783 -1.230 -4.093) 4.631 9.341 ( -2.116 -2.866 2.783) 4.520 9.921 ( 0.502 -9.593 -2.134) 9.840 10.196 ( 1.706 6.380 3.794) 7.617 10.467 ( 1.841 -1.815 0.079) 2.587 10.502 ( 6.710 1.994 2.428) 7.409 10.695 ( -6.804 2.204 -2.272) 7.505 11.273 ( -0.891 0.208 0.682) 1.141 11.728 ( 4.261 -5.445 -1.188) 7.016 11.872 ( -5.514 3.174 -1.656) 6.574 13.315 ( 2.592 -5.185 2.106) 6.167 13.384 ( 2.191 4.651 -1.938) 5.494 13.502 ( -2.554 3.465 1.778) 4.657 14.286 ( 7.107 -6.860 -0.137) 9.879 14.504 ( -7.107 6.916 0.589) 9.934 15.028 ( -2.389 0.971 -0.720) 2.678 15.200 ( 0.289 0.985 0.239) 1.054 15.657 ( 0.031 0.087 0.026) 0.096 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -2.296 -3.976 0.000) 4.592 2.128 ( -1.150 -1.992 -0.000) 2.300 2.253 ( -4.311 -7.467 -0.000) 8.622 2.343 ( -0.051 -0.089 -0.000) 0.103 2.370 ( -1.018 -1.763 -0.000) 2.036 2.454 ( -0.090 -0.156 -0.000) 0.180 2.603 ( -2.107 -3.649 -0.000) 4.213 2.652 ( -1.871 -3.241 -0.000) 3.742 2.689 ( -1.058 -1.832 -0.000) 2.116 2.698 ( -2.008 -3.478 -0.000) 4.016 2.799 ( 0.996 1.725 0.000) 1.992 2.833 ( 1.227 2.125 -0.000) 2.454 2.964 ( -0.183 -0.317 0.000) 0.366 3.021 ( -1.013 -1.754 -0.000) 2.025 3.076 ( 1.756 3.042 0.000) 3.513 3.084 ( 1.171 2.028 -0.000) 2.341 3.129 ( 1.571 2.721 -0.000) 3.141 3.186 ( 1.426 2.470 -0.000) 2.852 3.304 ( 0.672 1.165 -0.000) 1.345 3.383 ( 0.921 1.596 -0.000) 1.843 3.520 ( 0.669 1.159 -0.000) 1.339 3.653 ( 1.615 2.797 -0.000) 3.230 3.735 ( -0.392 -0.680 -0.000) 0.785 3.962 ( -0.701 -1.213 -0.000) 1.401 5.254 ( 0.073 0.127 -0.000) 0.147 5.501 ( 0.045 0.078 0.000) 0.090 5.513 ( -0.060 -0.103 0.000) 0.119 5.716 ( -1.232 -2.134 -0.000) 2.465 5.754 ( 0.214 0.370 -0.000) 0.427 5.899 ( 0.268 0.464 -0.000) 0.536 7.132 ( -1.038 -1.797 -0.000) 2.075 7.243 ( 1.420 2.460 -0.000) 2.840 7.295 ( -0.869 -1.505 -0.000) 1.738 7.478 ( -0.805 -1.395 -0.000) 1.611 7.550 ( 0.392 0.680 -0.000) 0.785 7.630 ( -1.849 -3.203 0.000) 3.699 7.813 ( -0.031 -0.053 -0.000) 0.061 7.850 ( -0.013 -0.023 0.000) 0.026 8.031 ( 1.092 1.891 -0.000) 2.184 8.045 ( 3.630 6.288 -0.000) 7.261 8.316 ( -1.196 -2.071 -0.000) 2.391 8.477 ( 3.416 5.917 -0.000) 6.832 9.218 ( -1.708 -2.959 -0.000) 3.417 9.261 ( -2.926 -5.067 0.000) 5.851 9.757 ( -5.687 -9.851 -0.000) 11.375 10.303 ( 2.347 4.065 0.000) 4.694 10.391 ( -3.241 -5.614 -0.000) 6.482 10.641 ( 2.688 4.655 -0.000) 5.375 10.683 ( 2.067 3.581 0.000) 4.135 11.291 ( 1.206 2.089 0.000) 2.412 11.608 ( -4.484 -7.766 -0.000) 8.967 11.953 ( 3.791 6.567 -0.000) 7.583 13.260 ( -2.815 -4.876 -0.000) 5.630 13.406 ( 0.693 1.201 0.000) 1.386 13.607 ( 4.272 7.400 0.000) 8.545 14.211 ( -4.396 -7.614 0.000) 8.792 14.551 ( 2.770 4.798 -0.000) 5.540 15.013 ( 0.061 0.106 -0.000) 0.122 15.233 ( 1.448 2.508 -0.000) 2.896 15.658 ( 0.028 0.049 -0.000) 0.056 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 -8.472 -2.628) 8.871 2.067 ( 0.000 -1.399 -0.331) 1.437 2.071 ( -0.000 5.295 7.294) 9.013 2.260 ( 0.000 1.466 -1.899) 2.399 2.339 ( 0.000 0.888 -1.279) 1.557 2.393 ( 0.000 0.293 -3.378) 3.390 2.504 ( -0.000 0.358 0.664) 0.754 2.505 ( -0.000 -2.265 5.129) 5.607 2.625 ( 0.000 0.230 -0.409) 0.469 2.766 ( -0.000 -0.096 0.038) 0.103 2.773 ( -0.000 -1.356 0.925) 1.642 2.960 ( 0.000 -3.214 -2.610) 4.141 3.031 ( -0.000 2.910 0.162) 2.914 3.061 ( -0.000 -2.432 2.846) 3.743 3.120 ( -0.000 -2.705 1.313) 3.006 3.131 ( -0.000 0.072 2.154) 2.156 3.194 ( -0.000 -1.366 0.509) 1.458 3.256 ( 0.000 2.420 -2.871) 3.755 3.305 ( -0.000 6.077 0.910) 6.145 3.319 ( -0.000 -2.361 2.734) 3.612 3.426 ( 0.000 1.009 -1.851) 2.108 3.711 ( 0.000 2.135 -4.215) 4.725 3.721 ( 0.000 -0.390 -0.225) 0.450 4.028 ( 0.000 0.277 -1.664) 1.687 5.183 ( -0.000 0.031 1.216) 1.216 5.417 ( -0.000 -0.604 1.370) 1.497 5.565 ( 0.000 0.172 -1.336) 1.347 5.805 ( 0.000 0.580 -1.850) 1.939 5.805 ( 0.000 -0.202 -0.794) 0.820 5.887 ( -0.000 0.208 0.058) 0.216 7.206 ( 0.000 1.461 -3.281) 3.592 7.244 ( -0.000 -1.099 0.208) 1.118 7.341 ( -0.000 -3.656 1.787) 4.069 7.355 ( -0.000 -1.756 2.971) 3.451 7.531 ( -0.000 -0.005 0.048) 0.048 7.719 ( 0.000 -4.052 -5.069) 6.489 7.797 ( -0.000 7.326 2.653) 7.792 7.809 ( -0.000 0.220 0.137) 0.259 8.092 ( 0.000 2.497 -1.944) 3.165 8.168 ( -0.000 -3.088 4.655) 5.586 8.195 ( 0.000 0.368 -1.733) 1.772 8.706 ( -0.000 -1.510 3.971) 4.248 9.067 ( 0.000 -1.222 -7.921) 8.014 9.360 ( 0.000 1.397 -3.250) 3.537 9.691 ( 0.000 -1.613 -1.204) 2.013 10.173 ( -0.000 -0.803 1.804) 1.975 10.198 ( 0.000 8.510 -2.835) 8.969 10.386 ( -0.000 -4.191 11.803) 12.525 11.067 ( 0.000 -2.294 -2.242) 3.207 11.418 ( 0.000 0.658 -1.341) 1.494 11.425 ( 0.000 1.316 -1.845) 2.266 12.224 ( 0.000 -2.772 -2.263) 3.579 13.082 ( -0.000 -0.515 0.985) 1.112 13.276 ( -0.000 1.184 3.613) 3.802 13.701 ( -0.000 -0.658 3.446) 3.508 13.968 ( 0.000 0.248 -0.468) 0.529 14.726 ( 0.000 1.193 -1.956) 2.291 15.164 ( 0.000 -0.620 -4.111) 4.157 15.235 ( -0.000 1.276 2.908) 3.176 15.654 ( -0.000 0.044 0.053) 0.068 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 1.925 -11.286 -2.846) 11.798 2.059 ( 5.798 -9.898 -1.429) 11.560 2.146 ( 2.413 0.980 5.132) 5.755 2.262 ( -0.714 1.128 -0.150) 1.344 2.341 ( 2.074 -2.993 -1.533) 3.950 2.397 ( 3.220 -2.768 -1.930) 4.665 2.493 ( 1.367 -3.656 3.047) 4.952 2.551 ( 2.686 1.315 1.752) 3.466 2.669 ( 2.855 3.252 -0.973) 4.436 2.738 ( 1.101 -7.642 0.795) 7.762 2.755 ( -1.312 0.734 -0.681) 1.650 2.914 ( -0.193 -4.915 -1.733) 5.215 3.011 ( -2.095 -2.172 0.831) 3.130 3.023 ( -1.256 -4.414 -0.648) 4.635 3.095 ( -0.789 3.126 -2.792) 4.265 3.146 ( -0.478 2.173 1.921) 2.939 3.198 ( -2.088 1.869 5.457) 6.135 3.244 ( -3.496 2.063 -1.383) 4.289 3.320 ( 1.956 0.699 -1.028) 2.318 3.363 ( 0.334 1.090 0.303) 1.180 3.466 ( -1.793 10.590 2.017) 10.928 3.709 ( -1.831 3.121 -2.219) 4.245 3.720 ( 0.422 -0.643 -0.963) 1.233 4.017 ( -0.510 -0.293 -1.603) 1.708 5.199 ( 1.051 0.108 1.371) 1.732 5.423 ( 1.118 -0.896 1.208) 1.875 5.557 ( -0.445 -0.067 -1.417) 1.487 5.788 ( -0.976 -0.184 -1.531) 1.825 5.801 ( -0.533 0.208 -1.309) 1.429 5.889 ( -0.060 0.307 0.369) 0.484 7.196 ( -1.002 0.137 -2.400) 2.604 7.225 ( -0.679 -1.042 0.451) 1.323 7.303 ( 0.584 -3.159 -1.937) 3.751 7.393 ( 4.464 -2.510 1.977) 5.490 7.541 ( 1.157 -0.326 -0.062) 1.204 7.651 ( -2.000 -2.222 -2.580) 3.949 7.823 ( 0.500 1.719 0.633) 1.899 7.878 ( -1.051 7.982 1.533) 8.195 8.073 ( -4.051 2.040 -0.889) 4.622 8.114 ( -3.794 -0.275 2.794) 4.720 8.225 ( 2.867 -0.949 -0.246) 3.030 8.634 ( -6.282 -1.636 1.016) 6.571 9.082 ( 5.927 -2.728 -8.174) 10.459 9.373 ( 0.833 0.356 -0.079) 0.909 9.710 ( 5.771 -3.378 -3.571) 7.581 10.206 ( 2.801 -0.854 2.499) 3.849 10.270 ( 0.833 6.120 0.098) 6.178 10.414 ( 1.328 -0.065 11.578) 11.654 10.964 ( -5.839 -3.765 -4.221) 8.130 11.370 ( -3.599 0.216 1.373) 3.858 11.501 ( 5.509 1.162 -3.971) 6.889 12.121 ( -5.234 -5.449 -3.840) 8.476 13.129 ( 5.257 -0.918 0.585) 5.368 13.320 ( 0.314 4.387 4.437) 6.248 13.670 ( -3.614 -0.884 2.785) 4.647 14.019 ( 5.574 -0.656 0.238) 5.618 14.716 ( -3.174 3.383 -0.925) 4.730 15.140 ( -1.724 1.772 -3.766) 4.505 15.238 ( -2.521 1.726 2.583) 4.000 15.656 ( 0.022 0.200 0.077) 0.215 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.434 -12.221 -1.881) 13.136 2.054 ( 8.254 -14.260 -2.254) 16.630 2.195 ( 5.024 -7.433 1.734) 9.138 2.266 ( -2.180 4.210 2.914) 5.565 2.342 ( 2.402 -2.160 -4.462) 5.508 2.426 ( 5.350 -7.251 2.665) 9.397 2.500 ( 4.811 -7.819 2.007) 9.397 2.616 ( 2.636 -0.680 2.056) 3.411 2.686 ( 1.191 -5.144 0.390) 5.294 2.737 ( -0.169 4.004 -2.874) 4.932 2.766 ( 2.034 1.912 -3.442) 4.432 2.842 ( -1.371 -3.265 -0.982) 3.675 2.931 ( -2.242 -4.021 1.547) 4.857 2.989 ( -0.875 -0.414 1.047) 1.426 3.104 ( -0.947 1.047 -0.758) 1.603 3.161 ( -2.166 4.099 0.149) 4.638 3.184 ( -2.495 2.043 0.803) 3.324 3.198 ( -3.717 3.425 0.001) 5.055 3.346 ( -0.062 1.902 -3.754) 4.209 3.398 ( 3.250 -0.565 3.244) 4.627 3.538 ( -5.031 12.542 3.003) 13.843 3.698 ( -2.630 3.984 -1.114) 4.902 3.716 ( 0.949 -1.640 -0.882) 2.090 3.996 ( -0.935 -0.597 -0.910) 1.435 5.225 ( 1.340 -0.122 1.035) 1.697 5.444 ( 1.848 -0.967 0.845) 2.250 5.541 ( -0.597 -0.332 -1.199) 1.380 5.758 ( -1.352 -0.907 -0.774) 1.803 5.786 ( -1.146 0.748 -1.213) 1.828 5.894 ( 0.010 0.478 0.476) 0.675 7.162 ( -0.934 -2.191 -0.183) 2.388 7.215 ( -0.084 0.562 -0.967) 1.122 7.284 ( 1.296 -2.252 -3.491) 4.351 7.453 ( 4.191 -1.950 0.347) 4.636 7.547 ( -0.099 -1.099 -0.409) 1.176 7.604 ( -0.516 -1.123 -0.730) 1.435 7.864 ( 0.877 2.995 0.970) 3.268 7.912 ( -1.826 2.830 -0.022) 3.368 8.005 ( -5.704 2.471 2.505) 6.702 8.083 ( -2.693 4.403 1.641) 5.416 8.272 ( 3.578 -0.807 -0.518) 3.704 8.514 ( -5.313 0.101 -2.432) 5.844 9.124 ( 5.307 -3.774 -6.445) 9.162 9.370 ( -1.400 -1.610 2.852) 3.562 9.758 ( 5.848 -7.979 -2.947) 10.322 10.234 ( 0.724 -0.735 5.087) 5.191 10.385 ( 5.536 4.909 -0.311) 7.406 10.484 ( 1.109 0.819 6.538) 6.682 10.812 ( -6.253 -0.469 -3.260) 7.067 11.314 ( -3.052 -0.024 1.487) 3.395 11.594 ( 5.837 -1.311 -3.910) 7.147 11.956 ( -5.177 -3.774 -3.695) 7.396 13.206 ( 4.805 -3.219 0.466) 5.802 13.410 ( 1.797 7.313 2.583) 7.961 13.596 ( -4.671 0.023 2.056) 5.104 14.112 ( 6.476 -3.721 0.170) 7.471 14.685 ( -5.565 6.004 1.118) 8.263 15.110 ( -4.129 4.177 -2.525) 6.393 15.218 ( -1.410 1.117 1.299) 2.219 15.658 ( -0.016 0.209 0.052) 0.216 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 -13.919 -2.830) 14.204 1.874 ( 0.000 -14.797 -2.284) 14.973 2.097 ( 0.000 -9.083 0.385) 9.091 2.244 ( -0.000 -9.063 2.073) 9.297 2.286 ( 0.000 2.635 -3.576) 4.442 2.352 ( -0.000 -3.452 3.624) 5.005 2.437 ( -0.000 -5.968 1.724) 6.212 2.540 ( 0.000 0.548 -0.924) 1.074 2.660 ( -0.000 -6.849 3.814) 7.839 2.673 ( 0.000 3.506 -0.218) 3.513 2.794 ( 0.000 3.441 -0.324) 3.456 2.857 ( 0.000 -4.844 -2.658) 5.525 2.981 ( 0.000 -3.798 -2.659) 4.636 3.005 ( -0.000 -2.341 0.280) 2.358 3.148 ( 0.000 4.889 -0.981) 4.986 3.181 ( -0.000 2.732 2.394) 3.632 3.249 ( -0.000 1.199 2.726) 2.978 3.291 ( 0.000 3.037 -2.409) 3.877 3.302 ( -0.000 -1.009 2.908) 3.078 3.361 ( 0.000 0.650 -0.957) 1.157 3.620 ( -0.000 14.385 0.639) 14.399 3.694 ( 0.000 -1.945 -0.923) 2.153 3.763 ( 0.000 4.578 -0.531) 4.608 4.012 ( 0.000 -0.398 -1.638) 1.686 5.194 ( -0.000 -0.167 1.438) 1.448 5.408 ( -0.000 -1.045 1.269) 1.644 5.551 ( 0.000 -0.645 -1.875) 1.983 5.788 ( 0.000 -0.548 -0.634) 0.838 5.805 ( 0.000 0.922 -2.273) 2.453 5.895 ( -0.000 0.344 0.593) 0.686 7.208 ( 0.000 -1.975 -0.952) 2.193 7.208 ( 0.000 0.966 -4.275) 4.382 7.261 ( 0.000 -3.744 -2.383) 4.438 7.331 ( -0.000 -2.317 4.055) 4.670 7.533 ( -0.000 -0.062 0.534) 0.538 7.645 ( 0.000 -1.042 -1.362) 1.715 7.838 ( -0.000 2.230 0.121) 2.233 7.972 ( -0.000 6.990 -0.156) 6.992 8.104 ( 0.000 0.809 -3.773) 3.859 8.181 ( 0.000 -0.408 -2.164) 2.203 8.192 ( -0.000 2.312 8.287) 8.604 8.693 ( -0.000 -2.430 3.865) 4.566 8.952 ( 0.000 -2.980 -10.901) 11.301 9.358 ( 0.000 0.630 -2.919) 2.986 9.608 ( 0.000 -5.139 -3.130) 6.017 10.179 ( -0.000 0.166 1.578) 1.587 10.324 ( -0.000 3.199 3.636) 4.842 10.455 ( -0.000 1.706 12.433) 12.550 10.949 ( 0.000 -4.810 -5.189) 7.075 11.422 ( 0.000 0.607 -1.170) 1.318 11.441 ( 0.000 0.772 -2.473) 2.590 12.077 ( 0.000 -8.696 -5.132) 10.097 13.079 ( -0.000 -0.439 0.827) 0.936 13.388 ( -0.000 6.045 5.440) 8.133 13.699 ( -0.000 -1.943 3.839) 4.303 13.969 ( 0.000 0.108 -0.370) 0.385 14.781 ( -0.000 5.003 -0.098) 5.004 15.159 ( 0.000 2.833 -3.638) 4.611 15.304 ( -0.000 3.822 1.911) 4.273 15.659 ( -0.000 0.374 0.067) 0.380 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 3.068 -15.572 -2.261) 16.032 1.759 ( 6.125 -17.458 -2.609) 18.685 1.994 ( 4.318 -16.519 -2.418) 17.244 2.199 ( 4.629 -10.430 2.947) 11.786 2.277 ( 2.342 -5.786 -1.817) 6.501 2.358 ( 0.041 1.206 4.680) 4.833 2.393 ( 0.095 -3.796 -0.168) 3.801 2.554 ( 3.116 -2.409 -1.786) 4.325 2.628 ( 0.223 -3.416 5.017) 6.074 2.730 ( 2.795 1.747 -0.469) 3.329 2.784 ( -1.223 -0.310 -2.435) 2.743 2.827 ( -0.936 1.212 -1.230) 1.964 2.935 ( -1.296 -3.728 -0.154) 3.950 2.989 ( 0.678 0.351 -1.177) 1.403 3.151 ( -2.987 1.334 0.275) 3.283 3.224 ( 0.018 3.914 0.965) 4.031 3.243 ( -2.010 1.894 -0.321) 2.780 3.288 ( -2.662 2.906 1.305) 4.151 3.332 ( 1.913 1.733 -1.983) 3.255 3.374 ( 0.527 0.283 1.532) 1.644 3.675 ( 0.773 -2.601 -1.096) 2.926 3.732 ( -1.238 10.359 -2.186) 10.659 3.797 ( -3.558 7.650 3.175) 9.014 4.000 ( -0.458 -0.298 -0.983) 1.124 5.204 ( 1.001 -0.688 1.011) 1.581 5.412 ( 1.084 -0.918 1.217) 1.871 5.533 ( -0.149 -1.214 -2.129) 2.455 5.774 ( -1.133 -0.202 0.480) 1.247 5.803 ( -0.463 1.094 -2.278) 2.569 5.901 ( 0.009 0.422 0.666) 0.788 7.161 ( -1.496 -1.606 -0.965) 2.398 7.209 ( -0.166 -1.586 -1.681) 2.317 7.225 ( 1.597 -1.235 -5.215) 5.592 7.365 ( 3.837 -1.680 3.764) 5.631 7.535 ( 0.214 -0.792 0.631) 1.035 7.620 ( -1.604 -0.092 -1.277) 2.053 7.873 ( 1.209 2.836 -0.051) 3.083 7.986 ( -3.265 2.013 -0.003) 3.836 8.083 ( -2.275 2.028 -3.623) 4.734 8.199 ( 2.180 -1.398 -0.247) 2.601 8.227 ( -2.770 7.268 5.734) 9.663 8.604 ( -6.402 -1.375 -0.545) 6.570 8.961 ( 6.380 -3.642 -6.786) 10.001 9.366 ( 0.761 -0.816 -0.476) 1.213 9.576 ( 4.441 -7.330 -3.553) 9.278 10.205 ( 1.731 -0.727 2.554) 3.170 10.379 ( 2.149 3.620 3.470) 5.455 10.506 ( -0.246 -0.798 8.537) 8.577 10.872 ( -2.930 -0.458 -2.958) 4.189 11.373 ( -3.468 -0.658 0.417) 3.554 11.487 ( 4.169 0.289 -4.935) 6.467 11.942 ( -2.338 -8.890 -4.591) 10.275 13.112 ( 3.528 -1.073 0.477) 3.718 13.475 ( 0.686 6.969 4.517) 8.334 13.665 ( -3.058 -1.482 2.972) 4.514 14.002 ( 3.583 -1.071 0.071) 3.740 14.818 ( -2.469 6.340 1.624) 6.995 15.182 ( -0.186 4.713 -2.989) 5.584 15.307 ( -4.762 4.063 0.780) 6.309 15.662 ( -0.090 0.368 0.009) 0.379 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 -18.120 -2.688) 18.319 1.505 ( 0.000 -20.326 -2.794) 20.517 1.738 ( 0.000 -23.210 -3.966) 23.546 2.063 ( -0.000 -10.910 4.561) 11.825 2.168 ( -0.000 -10.491 0.721) 10.515 2.343 ( 0.000 -1.508 -1.069) 1.849 2.415 ( -0.000 1.714 3.002) 3.457 2.481 ( 0.000 -4.458 -2.971) 5.357 2.630 ( -0.000 -0.512 6.358) 6.379 2.718 ( -0.000 0.926 0.279) 0.967 2.742 ( 0.000 -5.008 -1.787) 5.317 2.896 ( 0.000 -3.425 -2.525) 4.255 2.898 ( 0.000 6.574 -0.877) 6.632 2.976 ( 0.000 -0.141 -1.353) 1.360 3.213 ( -0.000 1.059 0.410) 1.136 3.230 ( -0.000 0.770 0.714) 1.050 3.284 ( 0.000 2.928 -0.159) 2.932 3.331 ( -0.000 2.171 0.749) 2.297 3.353 ( -0.000 3.869 1.223) 4.058 3.377 ( 0.000 0.724 -0.149) 0.740 3.634 ( 0.000 -3.260 -1.122) 3.448 3.794 ( 0.000 5.183 -4.201) 6.672 3.952 ( -0.000 11.698 4.270) 12.454 3.999 ( 0.000 0.002 -0.598) 0.598 5.187 ( -0.000 -1.325 0.593) 1.452 5.399 ( -0.000 -0.727 1.520) 1.684 5.511 ( 0.000 -1.734 -2.524) 3.062 5.792 ( -0.000 0.705 1.717) 1.856 5.807 ( 0.000 0.940 -2.593) 2.758 5.907 ( -0.000 0.359 0.699) 0.785 7.166 ( 0.000 -0.959 -4.620) 4.719 7.175 ( 0.000 -2.949 -0.104) 2.951 7.181 ( 0.000 -0.121 -4.388) 4.389 7.335 ( -0.000 -1.106 5.406) 5.518 7.526 ( -0.000 -1.399 0.848) 1.636 7.632 ( 0.000 0.194 -1.536) 1.548 7.888 ( 0.000 2.909 -0.533) 2.957 8.036 ( -0.000 0.555 0.659) 0.862 8.118 ( 0.000 3.933 -4.281) 5.814 8.150 ( 0.000 -0.999 -2.540) 2.730 8.353 ( -0.000 7.030 6.408) 9.512 8.669 ( -0.000 -2.631 3.914) 4.717 8.823 ( 0.000 -2.399 -9.250) 9.556 9.344 ( 0.000 -0.004 -2.813) 2.813 9.449 ( 0.000 -8.635 -3.307) 9.247 10.200 ( -0.000 0.721 1.506) 1.670 10.391 ( -0.000 1.007 3.019) 3.183 10.518 ( -0.000 -4.168 8.445) 9.417 10.901 ( -0.000 3.329 -0.004) 3.329 11.407 ( 0.000 -1.275 -5.381) 5.530 11.425 ( 0.000 0.496 -1.234) 1.330 11.843 ( 0.000 -10.953 -3.656) 11.547 13.077 ( -0.000 -0.388 0.860) 0.944 13.545 ( -0.000 4.789 4.545) 6.603 13.691 ( -0.000 -0.622 3.532) 3.586 13.967 ( 0.000 0.040 -0.353) 0.355 14.910 ( -0.000 6.686 2.468) 7.127 15.219 ( 0.000 4.848 -1.008) 4.951 15.407 ( 0.000 6.510 -2.102) 6.841 15.667 ( 0.000 0.416 -0.112) 0.431 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 -0.000 21.037) 21.037 0.450 ( 0.000 -0.000 21.037) 21.037 0.801 ( 0.000 -0.000 44.631) 44.631 1.568 ( -0.000 0.000 -11.768) 11.768 1.568 ( -0.000 0.000 -11.768) 11.768 2.297 ( 0.000 -0.000 6.152) 6.152 2.297 ( 0.000 -0.000 6.152) 6.152 2.459 ( -0.000 0.000 -1.527) 1.527 2.641 ( -0.000 0.000 -1.439) 1.439 2.700 ( -0.000 0.000 -4.122) 4.122 2.703 ( 0.000 0.000 -0.982) 0.982 2.703 ( 0.000 0.000 -0.982) 0.982 3.074 ( 0.000 0.000 -0.836) 0.836 3.074 ( 0.000 0.000 -0.836) 0.836 3.350 ( -0.000 0.000 -1.478) 1.478 3.350 ( -0.000 0.000 -1.478) 1.478 3.427 ( -0.000 0.000 -0.146) 0.146 3.427 ( 0.000 0.000 -0.146) 0.146 3.428 ( 0.000 -0.000 4.288) 4.288 3.476 ( -0.000 0.000 -3.576) 3.576 3.533 ( 0.000 0.000 0.068) 0.068 3.533 ( 0.000 -0.000 0.068) 0.068 3.953 ( -0.000 0.000 -5.539) 5.539 4.077 ( 0.000 -0.000 4.941) 4.941 5.135 ( 0.000 -0.000 2.172) 2.172 5.426 ( -0.000 -0.000 2.675) 2.675 5.426 ( 0.000 -0.000 2.675) 2.675 5.794 ( 0.000 0.000 -2.446) 2.446 5.794 ( 0.000 0.000 -2.446) 2.446 5.912 ( -0.000 0.000 -0.535) 0.535 7.167 ( 0.000 0.000 -1.604) 1.604 7.167 ( 0.000 0.000 -1.604) 1.604 7.271 ( 0.000 0.000 -1.643) 1.643 7.271 ( 0.000 0.000 -1.643) 1.643 7.641 ( 0.000 -0.000 2.083) 2.083 8.039 ( 0.000 -0.000 1.610) 1.610 8.039 ( 0.000 -0.000 1.610) 1.610 8.095 ( 0.000 -0.000 1.661) 1.661 8.095 ( 0.000 -0.000 1.661) 1.661 8.527 ( -0.000 0.000 -5.186) 5.186 8.654 ( 0.000 -0.000 3.982) 3.982 8.654 ( 0.000 -0.000 3.982) 3.982 8.834 ( 0.000 -0.000 7.873) 7.873 9.253 ( -0.000 0.000 -4.690) 4.690 9.253 ( -0.000 0.000 -4.690) 4.690 9.815 ( -0.000 0.000 -3.935) 3.935 10.279 ( 0.000 -0.000 2.928) 2.928 10.279 ( 0.000 -0.000 2.928) 2.928 11.233 ( 0.000 -0.000 5.348) 5.348 11.392 ( 0.000 0.000 -3.063) 3.063 11.392 ( -0.000 0.000 -3.063) 3.063 11.759 ( -0.000 0.000 -3.805) 3.805 13.105 ( 0.000 -0.000 2.666) 2.666 13.105 ( 0.000 -0.000 2.666) 2.666 13.947 ( 0.000 0.000 -1.447) 1.447 13.947 ( -0.000 0.000 -1.447) 1.447 14.915 ( -0.000 0.000 -2.832) 2.832 15.162 ( 0.000 -0.000 0.861) 0.861 15.681 ( 0.000 -0.000 0.806) 0.806 16.028 ( 0.000 -0.000 0.536) 0.536 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 12.925 7.462 19.155) 24.283 0.727 ( 15.875 9.165 13.488) 22.759 1.109 ( 12.494 7.214 36.054) 38.833 1.582 ( 6.046 3.491 -11.978) 13.865 1.622 ( 6.951 4.013 -11.259) 13.827 2.332 ( 1.790 1.033 6.060) 6.403 2.358 ( 1.998 1.153 4.991) 5.499 2.455 ( 0.378 0.218 -0.662) 0.793 2.622 ( -0.760 -0.439 -6.765) 6.821 2.655 ( -0.317 -0.183 -0.015) 0.366 2.694 ( -0.079 -0.046 -1.368) 1.371 2.764 ( 3.270 1.888 -0.359) 3.793 3.048 ( -1.969 -1.137 -1.030) 2.497 3.079 ( -1.279 -0.738 1.115) 1.850 3.205 ( -5.054 -2.918 5.571) 8.068 3.309 ( -2.267 -1.309 0.141) 2.621 3.336 ( -0.479 -0.276 -2.057) 2.130 3.402 ( -1.519 -0.877 -0.535) 1.834 3.436 ( 0.237 0.137 0.987) 1.024 3.477 ( 0.728 0.420 2.140) 2.299 3.545 ( 1.330 0.768 1.321) 2.026 3.846 ( 8.268 4.773 -14.404) 17.281 3.939 ( 0.455 0.263 -5.265) 5.292 4.062 ( -2.132 -1.231 0.511) 2.514 5.151 ( 0.728 0.420 1.935) 2.109 5.427 ( 0.248 0.143 1.837) 1.859 5.460 ( 1.073 0.619 3.537) 3.748 5.751 ( -1.576 -0.910 -3.370) 3.830 5.817 ( 1.289 0.744 -2.497) 2.907 5.910 ( -0.053 -0.031 -0.627) 0.630 7.124 ( -1.424 -0.822 -1.146) 2.004 7.205 ( 1.447 0.835 0.472) 1.736 7.244 ( 0.933 0.539 -2.383) 2.615 7.326 ( 2.989 1.726 -1.888) 3.934 7.622 ( -2.802 -1.618 3.128) 4.500 7.873 ( -13.461 -7.772 16.258) 22.493 8.018 ( -2.347 -1.355 1.670) 3.183 8.065 ( 0.269 0.156 2.227) 2.249 8.089 ( -0.054 -0.031 1.456) 1.457 8.382 ( -9.785 -5.649 0.030) 11.298 8.540 ( -2.560 -1.478 -4.040) 5.006 8.723 ( 2.911 1.681 5.072) 6.085 8.955 ( -6.960 -4.018 8.852) 11.955 9.060 ( 6.848 3.954 11.571) 14.014 9.204 ( -1.299 -0.750 -5.694) 5.888 9.970 ( 4.849 2.799 -15.955) 16.909 10.302 ( 0.207 0.120 3.067) 3.076 10.399 ( 8.306 4.796 -1.945) 9.787 11.177 ( -5.624 -3.247 5.182) 8.308 11.364 ( -0.671 -0.388 -3.164) 3.258 11.399 ( -0.608 -0.351 -0.986) 1.210 11.715 ( 2.286 1.320 8.603) 8.999 13.128 ( 0.540 0.312 2.601) 2.674 13.301 ( 10.506 6.066 -8.466) 14.793 13.878 ( -4.201 -2.426 0.162) 4.854 13.936 ( -0.188 -0.109 -1.437) 1.453 14.956 ( 1.017 0.587 -8.475) 8.556 15.198 ( 2.573 1.486 -1.885) 3.519 15.682 ( -0.178 -0.103 0.394) 0.444 15.875 ( -11.393 -6.578 4.657) 13.956 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 13.363 7.715 17.878) 23.616 1.160 ( 17.813 10.285 7.912) 22.038 1.538 ( 15.087 8.711 19.865) 26.422 1.760 ( 12.380 7.148 -6.070) 15.531 1.791 ( 10.576 6.106 -9.041) 15.194 2.376 ( -1.227 -0.709 1.143) 1.820 2.413 ( 3.328 1.921 5.311) 6.555 2.488 ( 1.769 1.021 1.440) 2.499 2.583 ( 0.060 0.035 -7.065) 7.065 2.691 ( 0.175 0.101 -1.552) 1.565 2.694 ( 3.474 2.006 0.188) 4.015 2.841 ( 3.199 1.847 1.188) 3.881 2.972 ( -4.354 -2.514 -0.831) 5.096 3.023 ( -3.139 -1.812 4.821) 6.031 3.187 ( -0.583 -0.337 0.583) 0.891 3.267 ( -1.429 -0.825 -0.104) 1.654 3.330 ( 0.982 0.567 -1.710) 2.052 3.349 ( -2.891 -1.669 -0.782) 3.429 3.442 ( -0.335 -0.193 1.707) 1.750 3.467 ( -1.290 -0.745 0.441) 1.553 3.606 ( 2.728 1.575 2.646) 4.114 3.844 ( -2.634 -1.521 -9.891) 10.348 3.936 ( 0.595 0.343 -3.488) 3.555 3.978 ( -4.831 -2.789 -4.896) 7.422 5.178 ( 1.112 0.642 1.058) 1.664 5.446 ( 0.799 0.462 1.452) 1.721 5.496 ( 0.872 0.503 3.186) 3.341 5.704 ( -1.424 -0.822 -2.864) 3.302 5.828 ( 0.273 0.158 -1.994) 2.019 5.906 ( -0.064 -0.037 -0.780) 0.783 7.097 ( -0.727 -0.420 -0.264) 0.880 7.243 ( 1.759 1.016 2.905) 3.545 7.289 ( 3.184 1.839 -2.229) 4.300 7.387 ( 2.851 1.646 -1.988) 3.846 7.539 ( -5.309 -3.065 8.351) 10.360 7.723 ( -5.184 -2.993 10.457) 12.050 7.955 ( -3.445 -1.989 1.349) 4.200 8.072 ( -0.446 -0.258 0.788) 0.941 8.097 ( 0.292 0.169 1.313) 1.355 8.177 ( -7.826 -4.519 -1.442) 9.152 8.469 ( -2.293 -1.324 -4.962) 5.625 8.818 ( 3.688 2.129 4.772) 6.396 8.862 ( -3.609 -2.084 9.210) 10.109 9.155 ( -1.293 -0.747 -5.316) 5.521 9.294 ( 8.234 4.754 8.910) 13.030 9.998 ( 3.689 2.130 -15.267) 15.851 10.308 ( -0.502 -0.290 2.209) 2.284 10.558 ( 6.160 3.556 -2.738) 7.621 11.066 ( -4.712 -2.720 3.686) 6.572 11.343 ( -0.294 -0.170 -2.203) 2.229 11.374 ( -1.123 -0.648 0.575) 1.418 11.875 ( 6.909 3.989 10.610) 13.274 13.145 ( 0.239 0.138 1.691) 1.713 13.459 ( 5.838 3.370 -7.093) 9.785 13.787 ( -3.324 -1.919 -0.453) 3.865 13.930 ( 0.012 0.007 -0.955) 0.955 14.895 ( -3.291 -1.900 -6.982) 7.949 15.232 ( 1.067 0.616 -3.488) 3.699 15.604 ( -12.864 -7.427 4.420) 15.498 15.678 ( -0.513 -0.296 0.139) 0.608 ======================= Grid point 232 (76/116) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 11.603 6.699 15.304) 20.340 1.571 ( 16.027 9.253 4.709) 19.096 1.891 ( 12.599 7.274 1.243) 14.601 2.018 ( 11.103 6.411 -5.978) 14.146 2.080 ( 14.242 8.223 5.101) 17.219 2.332 ( -2.831 -1.635 1.127) 3.458 2.504 ( 2.816 1.626 3.669) 4.903 2.518 ( 0.962 0.555 -1.152) 1.600 2.589 ( 2.429 1.402 -4.693) 5.467 2.688 ( -0.272 -0.157 -1.417) 1.451 2.798 ( 5.067 2.925 0.194) 5.854 2.855 ( -5.266 -3.040 0.027) 6.081 2.913 ( 2.257 1.303 4.129) 4.883 2.993 ( -0.740 -0.427 3.995) 4.086 3.141 ( -3.203 -1.849 0.209) 3.705 3.238 ( -1.027 -0.593 -1.303) 1.762 3.272 ( -3.321 -1.918 -0.607) 3.883 3.355 ( 0.124 0.072 -0.069) 0.159 3.431 ( -0.540 -0.312 0.273) 0.681 3.435 ( -1.546 -0.893 0.213) 1.798 3.671 ( 2.136 1.233 1.989) 3.169 3.716 ( -5.148 -2.972 -7.651) 9.689 3.812 ( -7.366 -4.253 -6.686) 10.819 3.941 ( 0.472 0.273 -0.812) 0.978 5.205 ( 1.054 0.609 -0.225) 1.238 5.473 ( 1.133 0.654 1.450) 1.953 5.515 ( 0.048 0.028 0.439) 0.442 5.676 ( -0.419 -0.242 0.347) 0.596 5.817 ( -0.719 -0.415 -0.816) 1.164 5.902 ( -0.030 -0.017 -0.909) 0.910 7.090 ( 0.054 0.031 0.705) 0.708 7.295 ( 1.321 0.763 2.595) 3.011 7.368 ( 3.952 2.282 1.379) 4.767 7.434 ( 1.655 0.956 -1.722) 2.573 7.468 ( -2.920 -1.686 5.937) 6.828 7.653 ( -3.787 -2.187 5.296) 6.868 7.881 ( -3.135 -1.810 0.698) 3.687 7.986 ( -6.452 -3.725 -2.652) 7.908 8.076 ( -0.720 -0.416 -1.596) 1.800 8.112 ( 0.596 0.344 1.250) 1.427 8.405 ( -1.948 -1.125 -4.101) 4.677 8.838 ( -1.549 -0.895 8.775) 8.956 8.909 ( 2.828 1.633 0.501) 3.304 9.117 ( -0.498 -0.287 -0.998) 1.152 9.478 ( 5.226 3.017 7.886) 9.930 10.050 ( 5.440 3.141 -14.024) 15.367 10.294 ( -1.131 -0.653 0.559) 1.421 10.648 ( 2.245 1.296 -2.531) 3.623 11.005 ( -1.951 -1.127 4.364) 4.911 11.337 ( 0.224 0.130 -0.509) 0.571 11.362 ( 0.263 0.152 -0.553) 0.631 12.055 ( 5.265 3.040 8.940) 10.811 13.149 ( -0.190 -0.110 0.258) 0.339 13.491 ( -1.366 -0.789 -5.489) 5.711 13.763 ( 1.855 1.071 -1.330) 2.521 13.930 ( 0.240 0.139 -0.160) 0.320 14.780 ( -4.609 -2.661 -4.331) 6.861 15.214 ( -2.696 -1.556 -1.023) 3.277 15.361 ( -7.699 -4.445 2.005) 9.114 15.668 ( -0.391 -0.226 -0.174) 0.484 ======================= Grid point 233 (77/116) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 8.017 4.629 11.095) 14.449 1.908 ( 11.981 6.917 2.392) 14.040 2.109 ( 5.579 3.221 -0.841) 6.496 2.224 ( 7.408 4.277 -2.469) 8.904 2.251 ( -1.587 -0.916 -4.141) 4.528 2.375 ( 6.864 3.963 2.990) 8.471 2.542 ( -0.694 -0.400 0.695) 1.060 2.542 ( 1.905 1.100 1.654) 2.753 2.645 ( -2.629 -1.518 -0.400) 3.062 2.661 ( 4.938 2.851 -2.262) 6.134 2.778 ( -1.251 -0.722 0.622) 1.573 2.911 ( 3.665 2.116 2.700) 5.020 2.969 ( 1.405 0.811 3.598) 3.947 2.995 ( -2.095 -1.209 4.070) 4.734 3.092 ( 1.450 0.837 0.273) 1.696 3.201 ( -1.731 -1.000 -0.037) 1.999 3.216 ( -0.939 -0.542 -1.962) 2.241 3.296 ( -4.757 -2.746 2.609) 6.081 3.394 ( -4.214 -2.433 -6.000) 7.725 3.400 ( -1.514 -0.874 -0.321) 1.777 3.591 ( -3.875 -2.237 0.540) 4.507 3.650 ( -2.271 -1.311 -10.718) 11.034 3.712 ( 0.878 0.507 0.794) 1.287 3.952 ( 0.408 0.236 1.853) 1.912 5.222 ( 0.636 0.367 -1.491) 1.663 5.500 ( -0.884 -0.510 -2.439) 2.644 5.505 ( 1.084 0.626 1.518) 1.967 5.689 ( 0.767 0.443 3.856) 3.957 5.795 ( -1.006 -0.581 0.555) 1.287 5.899 ( 0.072 0.041 -0.936) 0.940 7.104 ( 0.725 0.419 1.730) 1.922 7.304 ( -0.909 -0.525 0.047) 1.051 7.410 ( -2.828 -1.633 8.064) 8.700 7.445 ( -0.263 -0.152 -1.463) 1.494 7.497 ( 4.425 2.555 -1.259) 5.262 7.593 ( -1.998 -1.153 2.944) 3.740 7.828 ( -1.425 -0.822 -0.185) 1.655 7.851 ( -3.778 -2.181 -2.920) 5.249 8.066 ( 0.276 0.159 -1.878) 1.905 8.131 ( 0.624 0.360 1.510) 1.673 8.348 ( -1.915 -1.106 -4.227) 4.771 8.843 ( -1.019 -0.588 9.356) 9.429 8.916 ( -1.007 -0.581 -7.240) 7.333 9.152 ( 2.426 1.400 6.721) 7.282 9.586 ( 2.139 1.235 6.287) 6.755 10.146 ( 6.745 3.894 -11.299) 13.723 10.263 ( -1.380 -0.797 -1.287) 2.049 10.650 ( -0.370 -0.214 -4.804) 4.823 10.984 ( -2.392 -1.381 7.884) 8.354 11.349 ( 0.693 0.400 1.215) 1.454 11.385 ( 2.010 1.161 -2.471) 3.390 12.160 ( 1.386 0.800 5.978) 6.189 13.138 ( -0.576 -0.332 -1.130) 1.311 13.413 ( -2.489 -1.437 -5.053) 5.813 13.813 ( 2.059 1.189 -3.451) 4.191 13.939 ( 0.393 0.227 0.598) 0.751 14.678 ( -2.951 -1.704 -0.210) 3.414 15.111 ( -4.677 -2.700 3.589) 6.484 15.289 ( -0.396 -0.229 -1.989) 2.041 15.660 ( -0.234 -0.135 -0.209) 0.342 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -3.039 -1.754 4.517) 5.720 2.059 ( -1.941 -1.120 0.319) 2.263 2.150 ( 0.983 0.567 6.065) 6.170 2.237 ( -0.074 -0.043 -6.612) 6.613 2.309 ( 1.294 0.747 1.080) 1.843 2.420 ( -0.351 -0.203 -3.902) 3.923 2.527 ( 0.852 0.492 -1.312) 1.640 2.583 ( -0.960 -0.554 -1.174) 1.614 2.613 ( -0.074 -0.043 0.596) 0.602 2.767 ( -0.024 -0.014 -0.027) 0.039 2.771 ( 1.810 1.045 0.501) 2.150 2.912 ( -3.852 -2.224 4.638) 6.426 2.929 ( -2.908 -1.679 8.334) 8.985 3.028 ( 3.352 1.935 -0.600) 3.917 3.143 ( -4.593 -2.652 -2.603) 5.908 3.189 ( 0.539 0.311 -1.516) 1.638 3.208 ( 0.925 0.534 0.603) 1.227 3.219 ( -2.046 -1.181 3.290) 4.051 3.333 ( 8.558 4.941 -2.484) 10.190 3.364 ( -1.277 -0.737 -1.470) 2.082 3.496 ( -3.186 -1.839 -5.884) 6.939 3.670 ( 3.822 2.207 -2.111) 4.892 3.716 ( -0.646 -0.373 0.198) 0.771 3.971 ( 0.425 0.246 3.089) 3.128 5.223 ( 0.074 0.043 -2.116) 2.118 5.465 ( -1.231 -0.710 -2.853) 3.187 5.528 ( 0.353 0.204 1.650) 1.700 5.729 ( 1.219 0.704 4.619) 4.829 5.780 ( -0.475 -0.274 1.263) 1.377 5.899 ( 0.219 0.127 -0.855) 0.892 7.132 ( 0.950 0.549 2.918) 3.118 7.261 ( -2.496 -1.441 -0.891) 3.017 7.345 ( -4.211 -2.431 2.182) 5.329 7.417 ( -1.389 -0.802 -2.213) 2.733 7.532 ( 0.191 0.110 -0.069) 0.231 7.619 ( 0.892 0.515 3.099) 3.266 7.816 ( 0.407 0.235 -0.532) 0.710 7.834 ( 3.461 1.998 -0.396) 4.017 8.072 ( 0.554 0.320 -0.840) 1.055 8.148 ( 0.240 0.138 2.046) 2.065 8.292 ( -1.133 -0.654 -5.745) 5.892 8.842 ( -2.729 -1.575 -8.033) 8.629 8.849 ( -1.522 -0.879 9.815) 9.971 9.241 ( 2.688 1.552 7.382) 8.008 9.619 ( -1.027 -0.593 4.673) 4.821 10.227 ( -1.046 -0.604 -2.560) 2.831 10.265 ( 6.171 3.563 -7.375) 10.255 10.619 ( -0.016 -0.009 -8.712) 8.712 10.940 ( -4.076 -2.353 9.573) 10.668 11.374 ( 0.929 0.536 2.254) 2.496 11.417 ( 1.163 0.671 -2.056) 2.456 12.153 ( -3.474 -2.006 3.699) 5.457 13.117 ( -0.754 -0.436 -1.916) 2.105 13.379 ( 1.449 0.837 -4.779) 5.063 13.807 ( -1.094 -0.632 -5.364) 5.511 13.951 ( 0.393 0.227 0.984) 1.084 14.672 ( 2.162 1.248 2.494) 3.529 15.067 ( -0.400 -0.231 4.418) 4.442 15.290 ( 0.921 0.532 -2.040) 2.301 15.657 ( 0.026 0.015 -0.182) 0.184 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -12.247 -7.071 1.629) 14.235 1.857 ( -13.454 -7.768 0.996) 15.567 2.103 ( -11.251 -6.496 -1.098) 13.038 2.229 ( 2.186 1.262 5.892) 6.410 2.263 ( -6.183 -3.570 -1.350) 7.266 2.400 ( -0.188 -0.109 -4.476) 4.481 2.467 ( -6.942 -4.008 -2.889) 8.520 2.533 ( -0.914 -0.527 0.452) 1.148 2.668 ( 3.664 2.116 0.626) 4.277 2.700 ( -4.026 -2.324 -3.763) 5.981 2.790 ( 2.557 1.476 0.422) 2.983 2.831 ( -3.990 -2.304 1.978) 5.014 2.935 ( -1.002 -0.579 5.363) 5.486 3.012 ( -3.881 -2.241 -0.838) 4.559 3.133 ( 4.927 2.845 1.718) 5.943 3.207 ( 1.601 0.925 -2.260) 2.920 3.229 ( 1.294 0.747 3.963) 4.236 3.262 ( 2.862 1.652 2.629) 4.223 3.336 ( -0.319 -0.184 -3.080) 3.102 3.407 ( -1.667 -0.962 -6.948) 7.210 3.609 ( 11.516 6.649 1.542) 13.386 3.687 ( -1.938 -1.119 0.503) 2.294 3.769 ( 5.562 3.211 -0.957) 6.494 3.990 ( 0.292 0.169 2.452) 2.475 5.211 ( -0.544 -0.314 -1.725) 1.835 5.428 ( -1.169 -0.675 -2.360) 2.719 5.529 ( -0.767 -0.443 2.074) 2.255 5.772 ( 1.188 0.686 3.916) 4.149 5.782 ( 0.307 0.177 0.413) 0.544 5.902 ( 0.318 0.184 -0.751) 0.836 7.162 ( 0.470 0.272 4.130) 4.166 7.200 ( -2.474 -1.428 0.362) 2.879 7.251 ( -3.959 -2.286 -0.204) 4.576 7.375 ( -1.198 -0.692 -4.059) 4.288 7.539 ( 0.242 0.139 -0.596) 0.658 7.626 ( -0.317 -0.183 2.257) 2.286 7.839 ( 1.649 0.952 -0.099) 1.907 7.960 ( 5.687 3.284 2.202) 6.927 8.077 ( -0.097 -0.056 0.981) 0.988 8.155 ( -0.360 -0.208 2.502) 2.536 8.277 ( 2.303 1.330 -7.398) 7.862 8.749 ( -2.961 -1.709 -6.500) 7.345 8.840 ( -2.170 -1.253 9.635) 9.956 9.313 ( 1.466 0.847 5.598) 5.849 9.572 ( -4.332 -2.501 3.602) 6.164 10.202 ( -0.234 -0.135 -2.655) 2.668 10.357 ( 3.273 1.890 -3.227) 4.970 10.589 ( 0.177 0.102 -11.551) 11.553 10.886 ( -2.487 -1.436 6.725) 7.313 11.403 ( 0.832 0.480 2.242) 2.439 11.419 ( -0.687 -0.397 1.144) 1.392 12.034 ( -7.703 -4.448 2.861) 9.344 13.094 ( -0.658 -0.380 -1.805) 1.959 13.442 ( 5.060 2.922 -4.546) 7.403 13.746 ( -2.252 -1.300 -4.739) 5.405 13.962 ( 0.249 0.144 0.871) 0.917 14.775 ( 5.752 3.321 0.915) 6.705 15.116 ( 3.180 1.836 4.192) 5.573 15.320 ( 2.383 1.376 -1.036) 2.940 15.660 ( 0.266 0.154 -0.094) 0.322 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.000 16.281 16.507) 23.186 0.814 ( -0.000 17.721 15.534) 23.566 1.232 ( -0.000 10.132 40.504) 41.752 1.525 ( 0.000 6.215 -12.759) 14.192 1.594 ( 0.000 9.460 -12.358) 15.563 2.348 ( -0.000 1.138 5.834) 5.944 2.384 ( -0.000 3.307 5.879) 6.746 2.450 ( 0.000 0.494 -1.069) 1.177 2.576 ( 0.000 -3.693 -7.038) 7.948 2.655 ( -0.000 0.289 0.197) 0.350 2.704 ( 0.000 0.432 -1.532) 1.592 2.758 ( 0.000 3.968 -1.221) 4.151 3.060 ( 0.000 -1.317 -0.643) 1.465 3.073 ( 0.000 -0.087 -0.188) 0.208 3.224 ( -0.000 -7.599 6.569) 10.044 3.300 ( 0.000 -2.903 -0.845) 3.024 3.335 ( 0.000 -0.427 -1.681) 1.734 3.394 ( 0.000 -2.361 -0.019) 2.361 3.444 ( -0.000 0.471 1.116) 1.211 3.482 ( -0.000 -0.712 1.165) 1.365 3.539 ( -0.000 2.293 2.490) 3.385 3.814 ( 0.000 10.454 -13.173) 16.817 3.923 ( 0.000 1.192 -5.575) 5.701 4.063 ( 0.000 -2.531 -1.739) 3.070 5.157 ( -0.000 0.627 1.929) 2.028 5.422 ( -0.000 -1.209 2.713) 2.970 5.482 ( -0.000 2.037 3.287) 3.867 5.750 ( 0.000 -0.686 -3.462) 3.530 5.802 ( 0.000 1.175 -2.635) 2.885 5.906 ( 0.000 -0.199 -0.641) 0.671 7.133 ( 0.000 -0.411 -0.294) 0.505 7.197 ( 0.000 1.792 -2.374) 2.975 7.224 ( 0.000 -0.688 -0.467) 0.831 7.324 ( 0.000 3.891 -2.114) 4.428 7.630 ( -0.000 -3.127 2.855) 4.234 7.902 ( -0.000 -15.783 13.674) 20.882 8.025 ( -0.000 -2.299 1.620) 2.813 8.050 ( -0.000 -0.195 1.733) 1.744 8.133 ( -0.000 1.300 1.228) 1.788 8.399 ( 0.000 -9.043 -0.081) 9.043 8.526 ( 0.000 -6.659 -2.664) 7.172 8.652 ( -0.000 -1.020 4.404) 4.521 9.028 ( -0.000 -6.746 7.952) 10.428 9.099 ( -0.000 12.934 9.084) 15.805 9.258 ( 0.000 2.248 -4.971) 5.455 9.945 ( 0.000 8.748 -16.958) 19.081 10.275 ( -0.000 -1.612 3.076) 3.473 10.367 ( -0.000 3.884 1.588) 4.196 11.192 ( -0.000 -7.498 5.279) 9.170 11.389 ( 0.000 1.024 -3.152) 3.315 11.408 ( 0.000 3.832 -1.606) 4.154 11.700 ( -0.000 0.113 6.339) 6.340 13.108 ( -0.000 -0.789 2.575) 2.693 13.285 ( 0.000 10.432 -5.591) 11.836 13.855 ( 0.000 -6.505 -0.010) 6.505 13.945 ( 0.000 0.483 -1.366) 1.449 14.936 ( 0.000 1.518 -7.104) 7.265 15.193 ( 0.000 2.153 -1.140) 2.436 15.683 ( -0.000 -0.253 0.197) 0.320 15.903 ( -0.000 -11.007 3.020) 11.413 ======================= Grid point 241 (81/116) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 8.300 15.260 15.305) 23.152 1.115 ( 7.857 17.465 12.014) 22.607 1.526 ( 6.388 10.442 23.797) 26.761 1.640 ( 8.578 10.136 -4.891) 14.151 1.708 ( 5.548 11.592 -9.609) 16.046 2.383 ( 0.266 0.287 2.985) 3.011 2.435 ( 0.011 3.154 4.681) 5.645 2.474 ( 1.386 1.629 -0.575) 2.215 2.526 ( 1.462 -3.295 -3.954) 5.350 2.670 ( 0.985 1.737 -0.997) 2.232 2.709 ( 0.270 2.004 -1.701) 2.642 2.811 ( 2.035 2.920 -0.282) 3.570 3.024 ( -2.676 -0.708 -0.925) 2.919 3.047 ( -1.628 -3.570 2.839) 4.843 3.184 ( -0.454 -2.631 4.022) 4.827 3.278 ( 0.388 -1.158 -0.331) 1.266 3.310 ( -0.822 -0.988 -1.718) 2.146 3.361 ( -1.105 -2.806 -0.482) 3.053 3.445 ( -0.323 -0.575 1.711) 1.834 3.470 ( -0.119 -1.581 0.246) 1.604 3.596 ( 1.768 2.737 3.039) 4.455 3.829 ( -0.958 0.977 -12.298) 12.374 3.924 ( 0.404 1.745 -4.286) 4.645 3.998 ( -2.830 -3.309 -5.200) 6.782 5.175 ( 0.572 0.677 1.294) 1.569 5.429 ( 1.072 -0.992 2.484) 2.882 5.512 ( -0.001 1.594 2.491) 2.958 5.719 ( -1.578 0.239 -2.441) 2.916 5.813 ( 0.791 0.647 -2.628) 2.820 5.902 ( 0.016 -0.273 -0.716) 0.767 7.115 ( -1.435 0.371 0.214) 1.498 7.232 ( 3.307 1.053 -3.312) 4.797 7.241 ( 1.173 1.474 2.184) 2.884 7.369 ( 1.468 3.615 -2.376) 4.568 7.583 ( -2.150 -5.081 5.746) 7.966 7.784 ( -3.175 -9.097 12.671) 15.918 8.003 ( -1.799 -2.279 1.964) 3.505 8.034 ( -0.158 -1.699 1.041) 1.999 8.135 ( -1.278 1.005 -0.062) 1.627 8.258 ( -6.583 -5.346 0.101) 8.480 8.439 ( -0.465 -5.264 -5.257) 7.454 8.700 ( 3.742 -3.580 5.096) 7.266 9.008 ( -1.210 0.802 8.233) 8.360 9.208 ( -4.802 4.288 -5.571) 8.513 9.290 ( 3.896 9.478 9.920) 14.263 9.940 ( -0.142 4.388 -16.277) 16.859 10.325 ( 2.228 0.405 2.015) 3.031 10.446 ( 5.795 2.039 -0.763) 6.190 11.086 ( -3.632 -8.071 3.081) 9.372 11.372 ( -1.542 0.439 -0.285) 1.628 11.422 ( -2.012 4.169 -1.210) 4.784 11.822 ( 6.587 4.185 8.742) 11.719 13.129 ( 1.652 -0.955 1.807) 2.628 13.393 ( 4.079 6.723 -5.841) 9.795 13.774 ( -1.519 -6.801 -0.189) 6.971 13.945 ( -0.159 1.296 -1.057) 1.680 14.898 ( -1.920 -1.464 -6.447) 6.884 15.213 ( 0.777 1.064 -2.298) 2.649 15.678 ( -0.212 -0.389 -0.123) 0.460 15.717 ( -8.487 -11.400 3.049) 14.536 ======================= Grid point 242 (82/116) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.607 11.189 16.519) 21.729 1.481 ( 11.119 15.739 6.758) 20.421 1.787 ( 9.143 9.957 -0.817) 13.543 1.902 ( 9.631 10.855 -7.303) 16.246 1.978 ( 11.454 11.316 10.068) 18.990 2.363 ( -2.172 -1.604 0.823) 2.823 2.484 ( 2.240 0.507 -5.193) 5.678 2.499 ( 1.417 1.507 4.371) 4.836 2.557 ( 1.788 1.788 2.456) 3.525 2.701 ( 0.749 1.941 -3.361) 3.953 2.757 ( 2.425 3.800 0.191) 4.512 2.868 ( 1.561 -0.252 1.299) 2.046 2.951 ( -4.250 0.782 0.441) 4.343 3.000 ( -0.392 -3.867 3.784) 5.425 3.156 ( -1.230 -2.991 2.181) 3.901 3.253 ( -1.901 -0.602 -0.676) 2.105 3.296 ( -2.309 -3.001 -0.374) 3.805 3.319 ( 2.359 -0.831 -1.428) 2.881 3.432 ( -0.507 -1.984 1.463) 2.517 3.449 ( -0.921 -1.036 0.123) 1.392 3.661 ( 1.768 2.042 2.261) 3.523 3.729 ( -3.736 -3.064 -10.684) 11.726 3.861 ( -5.965 -4.737 -6.386) 9.940 3.939 ( 0.405 1.739 -1.850) 2.571 5.196 ( 0.775 0.626 0.222) 1.021 5.454 ( 1.666 -0.565 2.291) 2.888 5.524 ( -0.545 0.707 -0.184) 0.912 5.697 ( -1.189 1.140 0.446) 1.706 5.816 ( 0.025 0.023 -1.762) 1.762 5.897 ( 0.040 -0.236 -0.812) 0.847 7.103 ( -0.771 0.829 1.024) 1.527 7.282 ( 1.941 0.576 -0.021) 2.025 7.315 ( 4.270 2.929 0.201) 5.182 7.420 ( 1.506 3.093 -2.492) 4.249 7.517 ( -2.630 -4.288 7.911) 9.375 7.701 ( -2.985 -5.258 8.060) 10.076 7.937 ( -4.162 -1.144 1.521) 4.576 8.014 ( -0.932 -3.899 -0.629) 4.058 8.077 ( -3.882 -3.148 -3.104) 5.883 8.130 ( -2.471 -0.415 -0.768) 2.620 8.379 ( 0.278 -3.685 -3.376) 5.005 8.724 ( 2.926 -6.277 4.640) 8.336 9.064 ( -1.065 7.632 7.814) 10.975 9.153 ( -3.577 3.575 -4.571) 6.817 9.474 ( 3.859 6.454 9.288) 11.950 9.949 ( 3.505 3.397 -14.784) 15.569 10.344 ( -2.105 2.722 1.062) 3.601 10.566 ( 6.522 -0.490 -1.955) 6.826 10.973 ( -0.670 -7.248 0.835) 7.327 11.350 ( -1.239 -0.908 2.760) 3.159 11.428 ( -2.781 6.426 -1.324) 7.126 12.003 ( 6.369 2.150 8.186) 10.592 13.147 ( 0.664 -0.265 0.234) 0.752 13.484 ( 1.511 3.111 -4.657) 5.800 13.688 ( 0.742 -6.676 -0.841) 6.770 13.964 ( 0.019 3.324 -0.374) 3.345 14.806 ( -3.634 -2.956 -4.522) 6.511 15.219 ( 0.067 -0.043 -2.141) 2.143 15.457 ( -9.697 -9.609 2.617) 13.900 15.669 ( -0.247 -0.431 -0.240) 0.552 ======================= Grid point 243 (83/116) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.832 7.889 14.204) 17.626 1.830 ( 10.190 13.432 3.554) 17.230 2.023 ( 8.647 7.436 -4.271) 12.178 2.147 ( 8.476 10.019 -4.178) 13.772 2.250 ( 2.465 2.494 -0.519) 3.545 2.323 ( 3.037 1.528 2.405) 4.165 2.526 ( 1.988 1.130 1.859) 2.947 2.554 ( 1.898 1.490 2.950) 3.811 2.613 ( 1.549 3.106 -0.107) 3.473 2.697 ( -2.898 1.747 -2.571) 4.250 2.814 ( -2.154 -0.243 -0.025) 2.168 2.857 ( 3.807 1.861 0.774) 4.307 2.969 ( 1.573 1.417 3.363) 3.974 2.996 ( 2.081 -2.400 4.229) 5.290 3.097 ( -2.728 -2.913 2.337) 4.625 3.217 ( -1.175 -0.755 -0.977) 1.704 3.222 ( -2.309 -2.595 -0.550) 3.517 3.318 ( -1.009 -3.991 1.433) 4.359 3.384 ( -1.847 -3.240 -3.055) 4.821 3.433 ( -1.121 0.238 -0.989) 1.513 3.604 ( -2.014 -3.491 -5.851) 7.105 3.672 ( -6.926 -4.285 -7.157) 10.842 3.708 ( 0.901 1.285 0.930) 1.824 3.959 ( 0.330 1.287 0.891) 1.600 5.213 ( 0.551 0.593 -0.963) 1.257 5.489 ( 1.773 -0.137 2.158) 2.796 5.507 ( -1.201 0.226 -2.567) 2.843 5.705 ( -0.122 1.217 3.140) 3.370 5.804 ( -0.600 -0.366 -0.237) 0.742 5.893 ( 0.096 -0.162 -0.847) 0.868 7.112 ( -0.012 1.177 1.884) 2.221 7.301 ( 0.388 -0.768 -0.957) 1.287 7.430 ( 3.342 2.033 2.283) 4.530 7.458 ( 1.122 2.980 -1.326) 3.450 7.469 ( -1.664 -1.616 5.140) 5.639 7.628 ( -2.891 -3.468 4.333) 6.258 7.862 ( -3.605 -0.758 0.584) 3.730 7.887 ( -4.902 -3.551 -4.184) 7.358 8.036 ( 1.085 -2.230 -1.825) 3.079 8.110 ( 1.223 -1.991 -0.227) 2.347 8.339 ( -0.900 -2.007 -2.509) 3.337 8.716 ( 2.951 -8.081 3.292) 9.212 9.091 ( -6.213 7.807 -1.803) 10.139 9.188 ( 1.343 5.876 6.965) 9.211 9.606 ( 1.697 4.632 7.204) 8.731 10.025 ( 6.550 3.663 -11.603) 13.818 10.322 ( -3.950 3.471 -0.715) 5.307 10.614 ( 1.679 -2.148 -3.442) 4.391 10.940 ( 3.711 -6.619 2.037) 7.857 11.339 ( 0.260 -1.265 3.156) 3.410 11.441 ( -3.206 7.079 -0.921) 7.826 12.122 ( 4.222 -1.714 5.755) 7.341 13.151 ( -0.288 0.996 -1.177) 1.568 13.443 ( -4.400 -0.282 -4.242) 6.119 13.691 ( 5.690 -5.474 -1.664) 8.069 14.005 ( -0.827 6.061 -0.348) 6.127 14.700 ( -3.185 -3.670 -1.207) 5.007 15.175 ( -4.435 -2.786 1.698) 5.506 15.277 ( -1.860 -4.253 -0.593) 4.680 15.661 ( -0.201 -0.269 -0.229) 0.406 ======================= Grid point 244 (84/116) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.616 3.161 8.169) 8.781 2.086 ( 3.730 9.104 1.151) 9.906 2.177 ( 0.746 2.624 3.827) 4.699 2.195 ( 1.650 0.824 -7.967) 8.177 2.322 ( 1.645 5.369 -0.071) 5.616 2.398 ( 1.237 0.037 -3.029) 3.272 2.534 ( -1.929 0.036 -0.487) 1.990 2.594 ( 0.488 2.651 -0.172) 2.701 2.650 ( -2.694 1.646 -0.312) 3.172 2.722 ( 4.453 2.334 3.793) 6.298 2.787 ( -0.978 1.077 -1.163) 1.862 2.949 ( 2.250 -0.406 2.432) 3.338 2.987 ( -0.775 0.517 0.148) 0.943 3.013 ( -2.798 -2.336 10.171) 10.804 3.100 ( 5.913 -0.962 -0.583) 6.019 3.177 ( -0.131 -1.171 -1.347) 1.789 3.193 ( -0.188 -1.553 -0.227) 1.581 3.234 ( -2.105 -4.654 2.269) 5.589 3.282 ( -2.536 -2.209 -5.023) 6.045 3.382 ( -1.864 -0.902 -1.831) 2.764 3.517 ( -4.375 -1.824 -7.371) 8.764 3.606 ( 4.204 0.019 -0.687) 4.260 3.726 ( -0.274 0.568 0.266) 0.684 3.980 ( 0.273 0.598 2.538) 2.622 5.219 ( 0.070 0.655 -1.801) 1.917 5.476 ( -1.505 0.148 -2.807) 3.189 5.522 ( 1.218 0.039 1.884) 2.244 5.732 ( 0.758 0.519 3.717) 3.829 5.791 ( -0.634 -0.430 1.194) 1.419 5.892 ( 0.245 -0.050 -0.775) 0.815 7.137 ( 0.602 1.229 2.601) 2.939 7.275 ( -1.284 -1.731 -1.359) 2.548 7.391 ( -3.960 -2.917 2.271) 5.417 7.452 ( -2.004 1.227 -0.323) 2.371 7.547 ( -0.552 2.452 -0.369) 2.540 7.599 ( 2.545 -0.822 3.895) 4.724 7.802 ( 0.256 -0.363 -1.973) 2.022 7.822 ( -0.873 0.159 -0.825) 1.211 8.037 ( 1.932 -1.748 -1.216) 2.876 8.122 ( 2.741 -2.820 0.218) 3.939 8.288 ( -2.179 -0.914 -2.870) 3.718 8.687 ( 2.743 -9.190 1.222) 9.668 9.051 ( -6.369 6.458 1.268) 9.159 9.290 ( 0.293 6.200 6.179) 8.759 9.673 ( -1.452 4.115 5.209) 6.795 10.153 ( 7.622 3.602 -7.385) 11.207 10.279 ( -4.300 3.435 -2.248) 5.945 10.581 ( -0.069 -2.089 -7.222) 7.518 10.943 ( 1.939 -6.880 5.759) 9.179 11.360 ( 2.580 -1.459 1.842) 3.490 11.447 ( -3.427 6.011 -0.160) 6.921 12.150 ( 1.049 -5.266 3.838) 6.600 13.152 ( -1.551 3.105 -1.540) 3.797 13.362 ( -1.784 -0.286 -4.681) 5.017 13.717 ( 4.147 -5.563 -2.603) 7.411 14.034 ( -3.283 6.921 -1.208) 7.755 14.646 ( 1.056 -2.622 2.180) 3.569 15.091 ( -2.027 -2.299 3.917) 4.974 15.252 ( 1.396 -1.772 -2.190) 3.144 15.656 ( -0.063 -0.053 -0.181) 0.199 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -10.383 -3.541 1.991) 11.149 2.046 ( -12.557 -0.461 0.880) 12.596 2.196 ( -2.673 0.903 -3.982) 4.880 2.232 ( 0.930 2.057 5.225) 5.692 2.337 ( -1.629 -0.214 -0.923) 1.885 2.396 ( -2.920 1.765 -1.478) 3.718 2.524 ( -2.537 -0.380 -2.552) 3.618 2.573 ( -3.263 2.038 -2.234) 4.449 2.657 ( 1.492 3.593 1.272) 4.093 2.745 ( 0.196 -1.560 0.596) 1.681 2.752 ( -4.591 -2.667 -1.039) 5.410 2.891 ( -4.073 -2.709 3.262) 5.879 2.983 ( -1.827 0.214 5.081) 5.404 3.035 ( -2.369 -4.900 -1.570) 5.664 3.067 ( 4.358 1.679 1.264) 4.839 3.172 ( 1.848 -0.130 -2.547) 3.149 3.214 ( 1.531 -1.720 2.589) 3.465 3.231 ( 3.439 -0.415 2.312) 4.165 3.314 ( 0.950 -0.635 -2.169) 2.451 3.405 ( -0.277 1.506 -6.645) 6.819 3.477 ( 9.177 4.044 0.096) 10.029 3.693 ( 5.143 0.558 0.193) 5.176 3.713 ( -1.573 -0.132 0.432) 1.636 3.995 ( 0.178 -0.073 2.439) 2.446 5.216 ( -0.477 0.703 -1.826) 2.014 5.441 ( -1.628 0.181 -2.133) 2.689 5.539 ( 0.078 -0.253 1.748) 1.768 5.764 ( 1.265 -0.261 2.995) 3.262 5.785 ( -0.149 -0.285 1.512) 1.546 5.895 ( 0.372 0.100 -0.674) 0.776 7.168 ( 0.483 0.314 2.966) 3.021 7.228 ( -1.606 -1.126 -0.262) 1.979 7.292 ( -4.223 -2.773 0.449) 5.072 7.415 ( -3.477 1.824 -1.928) 4.374 7.541 ( -0.506 0.695 -0.089) 0.864 7.625 ( 0.243 -1.707 2.360) 2.922 7.829 ( 0.982 1.442 -0.432) 1.797 7.887 ( 6.340 2.751 -0.090) 6.911 8.053 ( 1.842 -1.897 1.455) 3.018 8.148 ( 3.939 -2.181 -1.881) 4.880 8.235 ( -2.263 0.301 -2.694) 3.531 8.642 ( 2.306 -8.719 -0.104) 9.019 9.008 ( -6.617 5.174 4.708) 9.629 9.354 ( -0.542 3.618 3.557) 5.103 9.668 ( -5.382 2.940 4.224) 7.447 10.235 ( -3.045 2.592 -2.767) 4.864 10.288 ( 5.870 3.073 -3.303) 7.404 10.539 ( 0.535 -0.220 -11.269) 11.284 10.906 ( -0.709 -6.396 6.787) 9.352 11.386 ( 1.913 -2.824 -1.049) 3.569 11.456 ( -2.173 5.210 3.611) 6.701 12.082 ( -3.023 -7.186 3.355) 8.488 13.139 ( -3.306 3.584 -1.198) 5.021 13.371 ( 3.902 1.949 -4.869) 6.537 13.703 ( 1.584 -4.721 -3.158) 5.896 14.024 ( -3.990 4.971 -0.655) 6.408 14.701 ( 5.547 -0.036 1.680) 5.796 15.097 ( 2.201 -0.068 4.235) 4.773 15.263 ( 2.746 -1.663 -2.058) 3.813 15.657 ( 0.151 0.095 -0.119) 0.215 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.000 18.097 14.047) 22.909 1.272 ( -0.000 18.410 10.151) 21.023 1.640 ( 0.000 13.365 -9.591) 16.450 1.678 ( -0.000 10.688 16.809) 19.919 1.767 ( -0.000 14.266 1.355) 14.331 2.399 ( -0.000 0.573 2.023) 2.103 2.452 ( 0.000 -2.327 -7.165) 7.533 2.480 ( -0.000 0.581 5.126) 5.159 2.495 ( -0.000 3.935 4.371) 5.881 2.691 ( 0.000 3.586 -0.534) 3.626 2.695 ( 0.000 0.026 -2.461) 2.461 2.836 ( 0.000 4.567 -0.682) 4.618 3.004 ( 0.000 -4.015 -1.017) 4.141 3.063 ( -0.000 -1.453 2.245) 2.674 3.180 ( -0.000 -2.458 4.546) 5.168 3.244 ( 0.000 -1.879 -0.909) 2.088 3.314 ( 0.000 -0.688 -0.681) 0.968 3.331 ( 0.000 -4.030 0.018) 4.030 3.446 ( -0.000 -2.452 0.770) 2.570 3.456 ( -0.000 -0.533 1.550) 1.639 3.623 ( -0.000 3.097 2.867) 4.220 3.797 ( 0.000 -1.075 -13.312) 13.355 3.928 ( 0.000 2.635 -3.785) 4.612 3.966 ( 0.000 -4.173 -6.315) 7.569 5.180 ( -0.000 0.460 1.064) 1.159 5.419 ( -0.000 -1.015 2.906) 3.078 5.535 ( -0.000 1.269 1.185) 1.737 5.735 ( 0.000 1.123 -1.108) 1.578 5.802 ( 0.000 0.872 -3.102) 3.223 5.896 ( 0.000 -0.381 -0.623) 0.730 7.150 ( -0.000 1.594 1.788) 2.396 7.185 ( 0.000 0.615 -4.241) 4.285 7.259 ( -0.000 1.978 2.990) 3.584 7.385 ( 0.000 3.785 -2.521) 4.548 7.566 ( -0.000 -5.899 6.610) 8.860 7.759 ( -0.000 -7.959 10.028) 12.802 7.975 ( -0.000 -3.597 1.042) 3.745 8.048 ( -0.000 -1.094 0.962) 1.457 8.157 ( 0.000 0.869 -0.373) 0.946 8.265 ( 0.000 -4.848 -0.694) 4.897 8.356 ( 0.000 -7.670 -4.613) 8.951 8.677 ( -0.000 -0.124 5.599) 5.601 9.019 ( -0.000 -0.376 5.150) 5.163 9.270 ( 0.000 2.622 -5.478) 6.073 9.398 ( -0.000 10.108 9.931) 14.171 9.943 ( 0.000 4.918 -19.009) 19.635 10.260 ( -0.000 -2.160 3.168) 3.835 10.460 ( -0.000 4.366 2.130) 4.858 11.055 ( -0.000 -8.117 3.992) 9.046 11.388 ( 0.000 1.088 -3.065) 3.252 11.457 ( 0.000 1.502 -1.489) 2.115 11.862 ( -0.000 8.644 9.686) 12.982 13.109 ( -0.000 -0.875 2.338) 2.497 13.406 ( 0.000 5.366 -4.476) 6.988 13.722 ( -0.000 -6.440 0.751) 6.484 13.947 ( 0.000 0.609 -1.187) 1.334 14.878 ( 0.000 -2.075 -5.629) 5.999 15.209 ( 0.000 0.604 -1.751) 1.853 15.662 ( -0.000 -7.869 0.586) 7.890 15.687 ( 0.000 -5.819 0.221) 5.823 ======================= Grid point 252 (87/116) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.029 14.954 14.394) 21.143 1.529 ( 5.796 17.042 6.526) 19.147 1.783 ( 3.470 13.076 -4.087) 14.132 1.857 ( 6.217 12.587 -6.650) 15.534 1.993 ( 5.568 12.749 13.365) 19.292 2.367 ( -1.141 -3.830 -2.208) 4.565 2.453 ( 1.026 3.175 -1.624) 3.711 2.509 ( 0.521 0.192 5.571) 5.598 2.567 ( 2.130 3.726 3.462) 5.514 2.685 ( 0.514 1.123 -3.483) 3.695 2.759 ( 2.369 3.922 0.146) 4.584 2.875 ( -0.431 3.422 0.281) 3.460 2.957 ( 0.434 -5.406 0.239) 5.428 3.026 ( -3.338 -0.398 1.355) 3.625 3.155 ( -1.059 -2.999 4.162) 5.238 3.256 ( 2.460 -1.008 -0.900) 2.807 3.274 ( -1.425 -3.033 -0.036) 3.351 3.297 ( -1.232 -2.107 0.006) 2.441 3.423 ( -0.318 -2.546 1.870) 3.175 3.449 ( -0.350 -1.249 0.965) 1.616 3.668 ( 0.907 2.333 1.972) 3.187 3.706 ( -2.188 -3.832 -13.212) 13.930 3.869 ( -3.198 -5.376 -6.365) 8.924 3.947 ( 0.292 2.723 -2.297) 3.574 5.191 ( 0.526 0.258 0.479) 0.757 5.430 ( 1.167 -0.742 2.885) 3.200 5.541 ( -0.591 0.777 -0.858) 1.300 5.735 ( -1.260 1.741 0.504) 2.208 5.805 ( 0.518 0.506 -2.586) 2.686 5.891 ( 0.060 -0.313 -0.565) 0.649 7.139 ( -1.669 1.486 0.583) 2.309 7.232 ( 3.435 1.250 -2.142) 4.237 7.304 ( 1.591 2.405 3.809) 4.777 7.422 ( 1.097 3.392 -2.465) 4.334 7.527 ( -0.917 -4.868 7.249) 8.780 7.709 ( -1.451 -5.706 7.174) 9.281 7.947 ( 0.562 -3.953 0.613) 4.039 8.015 ( -2.542 -1.195 0.665) 2.886 8.120 ( -4.666 -1.134 -3.101) 5.716 8.153 ( -3.644 -5.376 -5.349) 8.414 8.312 ( 2.203 -3.679 0.667) 4.339 8.686 ( -0.837 -1.729 5.136) 5.484 9.081 ( 4.325 2.040 4.033) 6.256 9.252 ( -2.814 3.849 -4.497) 6.554 9.537 ( 1.592 7.921 9.251) 12.282 9.909 ( -0.481 4.638 -16.330) 16.982 10.323 ( 6.576 -1.847 1.352) 6.963 10.503 ( 0.128 2.595 1.803) 3.163 10.956 ( -4.233 -5.186 1.673) 6.900 11.370 ( -1.438 -0.435 0.385) 1.551 11.489 ( 1.847 2.967 -2.555) 4.329 11.995 ( 1.579 6.361 8.332) 10.600 13.124 ( 1.454 -0.657 1.219) 2.008 13.453 ( 3.096 1.311 -3.120) 4.587 13.648 ( -2.731 -4.511 0.897) 5.349 13.968 ( 1.876 1.612 -0.606) 2.547 14.815 ( -2.421 -2.874 -4.461) 5.833 15.209 ( 0.192 0.017 -1.402) 1.415 15.492 ( -5.748 -11.932 0.361) 13.249 15.668 ( -0.279 -0.452 -0.269) 0.596 ======================= Grid point 253 (88/116) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.455 10.410 14.283) 18.227 1.835 ( 8.400 15.738 3.666) 18.212 1.958 ( 6.009 9.311 -6.210) 12.704 2.100 ( 8.517 13.319 -4.620) 16.470 2.235 ( 4.546 7.087 4.021) 9.331 2.300 ( -0.266 -2.483 -1.927) 3.154 2.517 ( 1.903 2.937 3.092) 4.670 2.547 ( 1.809 2.120 4.253) 5.085 2.648 ( 0.666 3.948 1.766) 4.376 2.707 ( 2.088 1.425 -4.991) 5.594 2.828 ( 0.856 3.053 0.090) 3.172 2.863 ( -1.859 -1.773 0.880) 2.716 2.939 ( 1.392 -2.923 3.383) 4.682 2.984 ( -1.268 1.208 1.577) 2.356 3.120 ( -1.553 -2.627 4.081) 5.096 3.215 ( -1.424 -3.432 -0.432) 3.740 3.244 ( -2.505 -1.756 0.408) 3.086 3.279 ( 1.658 -1.706 -1.357) 2.739 3.376 ( -2.163 -4.514 0.845) 5.076 3.441 ( -0.113 -0.359 0.776) 0.862 3.572 ( -2.437 -5.162 -10.061) 11.567 3.706 ( -0.954 -0.643 -0.777) 1.388 3.718 ( -3.728 -3.077 -4.198) 6.403 3.971 ( 0.236 2.047 -0.387) 2.097 5.205 ( 0.698 0.338 -0.211) 0.804 5.461 ( 1.884 -0.465 2.698) 3.323 5.525 ( -1.264 0.707 -2.436) 2.834 5.735 ( -0.898 1.334 1.335) 2.090 5.807 ( -0.044 0.129 -0.937) 0.947 5.887 ( 0.059 -0.213 -0.525) 0.569 7.138 ( -0.669 1.472 1.201) 2.014 7.274 ( 1.357 -0.382 -1.119) 1.800 7.396 ( 4.191 3.389 2.912) 6.126 7.468 ( 1.132 2.759 -0.963) 3.134 7.494 ( -1.222 -2.352 5.180) 5.819 7.649 ( -2.227 -4.141 4.524) 6.525 7.898 ( -2.442 -4.288 -2.476) 5.521 7.944 ( -5.671 -1.015 -0.629) 5.796 7.983 ( -0.513 -4.428 -3.851) 5.891 8.075 ( -1.256 -2.399 -1.899) 3.307 8.323 ( 0.938 -1.253 0.688) 1.710 8.652 ( -1.235 -4.188 3.381) 5.522 9.184 ( 1.351 2.716 -1.432) 3.354 9.256 ( -0.027 5.853 3.539) 6.840 9.667 ( 1.633 7.286 6.098) 9.640 9.933 ( 3.591 4.843 -11.561) 13.039 10.402 ( 1.593 1.332 0.924) 2.273 10.533 ( 2.439 -1.774 0.054) 3.017 10.851 ( -2.224 -3.879 -0.635) 4.516 11.342 ( -1.173 -1.518 2.305) 2.999 11.544 ( 0.293 5.099 -1.407) 5.297 12.073 ( 0.851 0.231 5.082) 5.158 13.147 ( 1.251 0.710 -0.628) 1.569 13.506 ( 2.331 -0.241 -2.117) 3.158 13.552 ( -2.408 -4.659 0.393) 5.259 14.040 ( 2.987 4.319 0.105) 5.252 14.714 ( -3.759 -3.871 -2.481) 5.939 15.201 ( -0.684 -0.660 -0.904) 1.312 15.282 ( -5.714 -8.592 0.667) 10.340 15.660 ( -0.148 -0.300 -0.197) 0.388 ======================= Grid point 254 (89/116) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 1.889 6.263 10.508) 12.378 2.106 ( 5.622 7.990 -3.773) 10.472 2.136 ( 6.133 10.295 -2.750) 12.295 2.206 ( -0.747 -0.852 0.674) 1.318 2.343 ( 4.886 10.094 -1.383) 11.299 2.368 ( 1.805 1.698 -1.521) 2.908 2.567 ( -0.296 0.334 2.436) 2.476 2.633 ( -1.434 3.624 0.646) 3.951 2.692 ( 3.660 4.129 3.051) 6.305 2.709 ( -1.365 0.816 -2.525) 2.984 2.827 ( -3.037 1.120 -1.929) 3.768 2.882 ( 4.684 1.339 0.520) 4.899 2.960 ( 4.322 -3.115 1.609) 5.565 3.012 ( 0.533 0.379 3.546) 3.606 3.082 ( -2.232 -1.706 6.243) 6.847 3.162 ( -0.545 -2.268 -1.950) 3.040 3.184 ( -1.841 -3.302 0.361) 3.798 3.238 ( -3.579 -5.980 3.145) 7.646 3.284 ( -1.966 -2.268 -5.129) 5.943 3.390 ( -2.522 -3.215 -3.690) 5.506 3.528 ( 3.082 -0.570 -1.633) 3.535 3.559 ( -4.606 -2.891 -3.813) 6.641 3.735 ( 0.260 0.910 0.253) 0.980 3.990 ( 0.098 0.868 1.068) 1.380 5.218 ( 0.402 0.698 -0.831) 1.158 5.497 ( -0.443 0.465 -1.056) 1.236 5.502 ( 0.770 0.081 0.685) 1.034 5.740 ( -0.098 0.379 1.483) 1.534 5.800 ( -0.503 -0.300 0.676) 0.894 5.885 ( 0.139 -0.107 -0.439) 0.473 7.152 ( 0.121 1.225 1.524) 1.960 7.266 ( -0.448 -1.737 -0.791) 1.960 7.441 ( -2.974 -2.649 3.761) 5.478 7.491 ( -1.205 2.411 -0.643) 2.770 7.533 ( 4.778 2.058 1.313) 5.366 7.602 ( -1.380 0.496 1.003) 1.777 7.795 ( -1.829 -2.363 -3.363) 4.499 7.854 ( -3.573 -0.539 0.597) 3.663 7.963 ( 2.877 -4.169 -2.003) 5.446 8.043 ( 0.988 -2.844 -0.677) 3.086 8.317 ( -1.157 0.450 -0.243) 1.266 8.593 ( -0.382 -6.320 1.728) 6.563 9.185 ( -2.918 3.640 -0.308) 4.676 9.347 ( 1.376 3.781 3.811) 5.542 9.781 ( -0.355 9.491 4.227) 10.396 10.035 ( 6.800 3.487 -6.353) 9.938 10.405 ( -4.462 4.771 -0.565) 6.557 10.531 ( 0.672 -3.369 -3.145) 4.658 10.817 ( 3.663 -6.380 1.022) 7.427 11.321 ( 0.171 -2.163 1.701) 2.757 11.581 ( -2.617 6.749 0.161) 7.241 12.072 ( 1.100 -6.023 2.611) 6.656 13.184 ( 1.263 3.403 -1.216) 3.828 13.427 ( -6.644 0.933 -2.215) 7.065 13.565 ( 5.892 -6.178 -0.445) 8.548 14.136 ( 0.635 7.604 -0.841) 7.676 14.610 ( -1.730 -5.439 0.539) 5.733 15.113 ( -3.405 -4.690 1.647) 6.025 15.211 ( 0.477 -1.489 -1.028) 1.871 15.656 ( -0.050 -0.086 -0.123) 0.158 ======================= Grid point 255 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -7.829 -0.851 3.193) 8.498 2.167 ( 3.682 2.220 -5.079) 6.655 2.242 ( -2.137 4.658 2.032) 5.513 2.289 ( -2.472 4.059 -1.930) 5.130 2.336 ( -3.325 -0.267 2.867) 4.399 2.487 ( 0.846 7.290 1.744) 7.543 2.543 ( -0.319 1.980 -2.866) 3.498 2.636 ( -1.272 3.145 -2.481) 4.203 2.697 ( -3.081 1.745 0.938) 3.663 2.739 ( -1.603 -0.629 -0.314) 1.750 2.798 ( -0.327 -1.401 0.647) 1.577 2.936 ( -3.364 -4.550 4.281) 7.096 2.967 ( 1.050 -1.045 0.293) 1.510 3.039 ( -1.113 -3.352 -0.391) 3.553 3.053 ( 0.140 1.074 3.277) 3.451 3.132 ( 0.444 -2.248 -2.096) 3.105 3.143 ( 3.394 -2.575 -0.053) 4.261 3.163 ( 1.919 -2.877 -0.450) 3.488 3.279 ( 3.998 1.487 0.659) 4.317 3.352 ( 2.416 -0.068 -1.621) 2.910 3.460 ( -3.332 0.698 -4.825) 5.905 3.609 ( 5.110 -0.309 2.040) 5.511 3.737 ( -0.845 0.380 0.212) 0.951 3.999 ( 0.026 -0.321 1.510) 1.544 5.226 ( -0.149 1.072 -1.183) 1.603 5.470 ( -1.806 0.923 -1.855) 2.748 5.532 ( 1.163 -0.383 1.496) 1.933 5.751 ( 0.732 -0.384 1.915) 2.086 5.789 ( -0.480 -0.931 0.997) 1.446 5.888 ( 0.325 0.071 -0.393) 0.515 7.173 ( 0.414 0.688 1.475) 1.680 7.229 ( -1.005 -2.108 -0.724) 2.444 7.351 ( -4.616 -1.770 0.470) 4.966 7.480 ( -1.919 1.613 0.222) 2.516 7.569 ( -0.557 -1.675 2.275) 2.879 7.619 ( -1.138 2.322 0.307) 2.604 7.812 ( 4.334 2.067 -2.017) 5.208 7.829 ( 0.619 1.471 -0.221) 1.612 7.974 ( 4.281 -4.493 -2.455) 6.674 8.042 ( 2.266 -3.020 0.803) 3.860 8.295 ( -2.654 2.249 -0.664) 3.541 8.535 ( 1.096 -7.112 1.206) 7.297 9.164 ( -4.440 3.518 3.588) 6.706 9.387 ( 0.109 0.682 0.025) 0.691 9.839 ( -5.827 7.957 4.214) 10.725 10.174 ( 7.640 1.681 -3.131) 8.426 10.360 ( -5.749 6.045 -1.485) 8.473 10.495 ( 0.292 -0.400 -7.231) 7.248 10.821 ( 3.723 -8.471 3.838) 10.018 11.317 ( 1.688 -2.788 -0.348) 3.278 11.593 ( -4.385 7.388 2.297) 8.894 12.022 ( 1.143 -9.111 2.069) 9.413 13.244 ( -1.393 6.470 0.119) 6.619 13.335 ( -1.748 0.572 -3.878) 4.292 13.592 ( 4.332 -5.552 -1.102) 7.127 14.169 ( -5.494 7.573 -1.545) 9.483 14.591 ( 5.317 -4.577 1.745) 7.229 15.064 ( 1.111 -2.689 2.169) 3.629 15.208 ( 1.028 -1.087 -1.131) 1.875 15.655 ( 0.044 0.064 -0.078) 0.111 ======================= Grid point 262 (91/116) ======================= q-point: ( 0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -0.000 14.585 13.319) 19.751 1.655 ( -0.000 15.533 3.392) 15.899 1.879 ( 0.000 9.578 -7.871) 12.398 1.901 ( 0.000 16.441 -2.760) 16.671 2.118 ( -0.000 12.316 10.575) 16.233 2.324 ( 0.000 -4.407 -2.483) 5.058 2.490 ( -0.000 4.924 0.946) 5.014 2.527 ( -0.000 0.895 5.124) 5.202 2.581 ( -0.000 1.661 2.094) 2.673 2.672 ( 0.000 -0.383 -2.493) 2.522 2.793 ( -0.000 6.292 0.816) 6.344 2.893 ( 0.000 -5.804 -1.369) 5.963 2.923 ( -0.000 4.153 0.394) 4.171 3.054 ( -0.000 -0.990 3.071) 3.227 3.156 ( -0.000 -3.052 3.461) 4.614 3.215 ( 0.000 -0.500 -1.424) 1.509 3.245 ( -0.000 -4.534 1.091) 4.664 3.302 ( -0.000 -1.254 1.928) 2.300 3.407 ( -0.000 -2.320 1.630) 2.835 3.443 ( -0.000 -1.716 1.693) 2.410 3.630 ( 0.000 -5.553 -14.096) 15.150 3.688 ( -0.000 1.921 1.322) 2.332 3.817 ( 0.000 -5.842 -6.571) 8.792 3.966 ( 0.000 2.954 -2.064) 3.604 5.188 ( -0.000 -0.136 0.576) 0.592 5.424 ( -0.000 -0.556 3.041) 3.091 5.550 ( 0.000 0.710 -1.565) 1.719 5.770 ( -0.000 1.748 1.043) 2.035 5.793 ( 0.000 0.648 -3.461) 3.521 5.886 ( 0.000 -0.215 -0.312) 0.379 7.171 ( 0.000 0.956 -4.173) 4.281 7.212 ( -0.000 2.326 3.511) 4.211 7.326 ( -0.000 2.006 4.330) 4.773 7.434 ( 0.000 2.487 -1.286) 2.800 7.513 ( -0.000 -3.758 5.731) 6.853 7.693 ( -0.000 -4.411 5.092) 6.737 7.902 ( 0.000 -4.017 0.019) 4.017 8.028 ( 0.000 -1.549 -0.760) 1.725 8.084 ( 0.000 -8.036 -9.035) 12.092 8.167 ( 0.000 0.940 -1.614) 1.868 8.264 ( -0.000 -2.660 4.195) 4.967 8.719 ( -0.000 -0.169 6.567) 6.569 9.053 ( 0.000 1.508 -0.616) 1.629 9.284 ( 0.000 2.843 -5.894) 6.544 9.622 ( -0.000 5.189 8.908) 10.309 9.915 ( 0.000 6.091 -16.222) 17.328 10.236 ( -0.000 -2.390 3.106) 3.920 10.530 ( -0.000 -0.587 3.841) 3.885 10.991 ( -0.000 -0.247 3.988) 3.996 11.389 ( 0.000 1.110 -2.772) 2.985 11.448 ( 0.000 -0.427 -3.593) 3.618 12.096 ( -0.000 7.635 7.151) 10.461 13.107 ( -0.000 -0.925 2.054) 2.253 13.402 ( 0.000 -3.554 -1.694) 3.937 13.666 ( -0.000 0.038 2.894) 2.894 13.952 ( 0.000 0.645 -1.013) 1.201 14.794 ( 0.000 -2.770 -4.096) 4.944 15.204 ( 0.000 -0.038 -0.607) 0.608 15.421 ( 0.000 -11.179 -1.451) 11.273 15.665 ( 0.000 -0.519 -0.209) 0.560 ======================= Grid point 263 (92/116) ======================= q-point: ( 0.60 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.893 11.019 12.293) 16.616 1.865 ( 5.712 14.117 2.019) 15.362 1.950 ( 2.421 7.386 -8.506) 11.522 2.103 ( 5.368 14.429 -1.422) 15.461 2.264 ( -0.744 -1.622 1.416) 2.279 2.278 ( 2.137 6.643 0.676) 7.011 2.528 ( 0.674 0.364 4.159) 4.229 2.575 ( 0.443 4.299 2.604) 5.046 2.631 ( 3.471 2.145 -0.366) 4.096 2.677 ( 1.527 0.423 -1.784) 2.386 2.827 ( -0.147 -3.379 -0.803) 3.477 2.866 ( 0.034 3.654 0.549) 3.695 2.957 ( -0.490 2.947 2.029) 3.612 3.038 ( -2.635 0.736 1.510) 3.125 3.128 ( -0.663 -2.698 4.859) 5.597 3.195 ( -0.587 -3.950 0.251) 4.001 3.228 ( 1.022 -0.880 -1.471) 1.996 3.276 ( -1.631 -2.041 2.525) 3.634 3.373 ( -1.905 -4.007 1.968) 4.853 3.438 ( 0.366 -0.827 2.018) 2.211 3.506 ( -1.203 -7.192 -11.309) 13.456 3.708 ( -0.953 -1.180 -2.171) 2.648 3.719 ( -1.275 -2.173 -3.985) 4.715 3.987 ( 0.089 2.256 -1.460) 2.689 5.194 ( 0.661 -0.090 0.563) 0.873 5.440 ( 1.131 -0.476 2.894) 3.143 5.543 ( -0.794 0.797 -2.222) 2.491 5.767 ( -1.241 1.037 -0.933) 1.867 5.802 ( 0.541 0.609 -1.075) 1.349 5.884 ( 0.011 -0.086 -0.148) 0.171 7.162 ( -0.470 1.172 -2.037) 2.396 7.254 ( 0.913 0.659 1.708) 2.046 7.378 ( 2.254 1.744 4.004) 4.915 7.461 ( 1.282 -0.765 3.161) 3.496 7.505 ( 0.111 0.836 0.761) 1.136 7.659 ( -1.486 -2.688 2.839) 4.183 7.864 ( -0.197 -4.195 -1.063) 4.332 7.929 ( -1.706 -7.406 -7.426) 10.626 8.014 ( -2.940 0.116 -0.403) 2.970 8.117 ( -4.630 0.297 -0.852) 4.717 8.284 ( 2.293 -1.815 2.723) 3.995 8.690 ( -4.326 -1.551 4.372) 6.344 9.126 ( 5.918 1.366 -2.412) 6.535 9.298 ( 0.676 3.426 -2.888) 4.532 9.701 ( 2.281 3.320 3.005) 5.025 9.936 ( 0.001 8.169 -8.382) 11.705 10.287 ( 6.663 -2.668 1.984) 7.447 10.522 ( -0.358 -3.052 4.637) 5.563 10.947 ( -7.188 2.599 1.042) 7.715 11.363 ( -1.817 -0.460 0.324) 1.902 11.497 ( 5.658 0.610 -4.394) 7.190 12.147 ( -3.509 3.829 3.766) 6.415 13.123 ( 1.864 -0.076 1.028) 2.130 13.383 ( 3.254 -5.480 0.630) 6.405 13.644 ( -4.576 1.365 2.207) 5.261 13.998 ( 4.501 1.577 0.066) 4.770 14.730 ( -2.753 -2.759 -3.307) 5.111 15.200 ( -0.210 -0.378 -0.634) 0.767 15.282 ( -3.811 -8.114 -1.027) 9.023 15.659 ( -0.116 -0.334 -0.097) 0.366 ======================= Grid point 264 (93/116) ======================= q-point: ( 0.70 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.928 6.921 6.159) 9.463 2.041 ( 3.951 2.110 -2.945) 5.361 2.133 ( 8.633 12.223 0.445) 14.971 2.213 ( -0.690 0.483 -0.515) 0.987 2.337 ( 5.793 8.926 -0.433) 10.650 2.368 ( 1.643 4.347 -1.527) 4.892 2.567 ( 1.459 -0.219 3.018) 3.359 2.625 ( 3.519 -2.112 1.221) 4.282 2.704 ( 0.690 1.466 -1.753) 2.387 2.721 ( 1.409 6.242 -1.632) 6.604 2.805 ( 2.336 -3.633 1.939) 4.734 2.888 ( -1.320 4.482 -0.748) 4.732 2.964 ( -3.859 2.669 0.348) 4.705 3.016 ( 0.407 -0.237 2.633) 2.674 3.116 ( -1.378 -1.594 5.972) 6.333 3.143 ( -0.901 -2.292 -2.374) 3.421 3.187 ( -2.311 -3.831 0.091) 4.475 3.247 ( -2.416 -5.203 1.903) 6.044 3.276 ( -1.840 -2.424 -3.729) 4.814 3.379 ( -2.030 -4.310 -3.484) 5.902 3.471 ( 2.466 -2.019 4.633) 5.623 3.599 ( -4.092 -0.917 -6.544) 7.773 3.736 ( 0.646 0.670 0.118) 0.938 4.000 ( -0.054 0.977 -0.706) 1.206 5.211 ( 0.883 0.358 0.406) 1.036 5.471 ( 1.853 -0.548 2.462) 3.130 5.525 ( -1.311 1.023 -2.297) 2.836 5.753 ( -0.790 0.492 -0.937) 1.321 5.805 ( -0.210 -0.194 -0.199) 0.348 5.883 ( -0.022 0.004 -0.010) 0.025 7.164 ( -0.018 0.962 -0.666) 1.170 7.258 ( -0.439 -1.285 0.712) 1.533 7.433 ( 1.410 -3.669 3.913) 5.546 7.485 ( 2.339 0.180 1.466) 2.766 7.551 ( 0.073 5.593 -1.419) 5.771 7.612 ( -0.935 -1.184 -0.622) 1.632 7.786 ( -1.433 -3.101 -1.987) 3.952 7.865 ( 1.291 -4.185 -1.548) 4.645 7.946 ( -5.415 0.298 1.190) 5.552 8.044 ( -2.956 -0.087 -0.996) 3.120 8.311 ( 1.767 -0.970 0.997) 2.249 8.595 ( -4.641 -3.372 1.296) 5.881 9.203 ( 2.881 0.761 -3.438) 4.550 9.357 ( 1.756 2.362 1.931) 3.520 9.817 ( 6.832 5.394 -1.803) 8.889 10.006 ( 0.127 7.571 -1.503) 7.720 10.395 ( 7.389 -2.143 1.210) 7.788 10.495 ( -0.699 -3.191 3.526) 4.807 10.830 ( -8.068 1.265 -1.276) 8.266 11.325 ( -1.945 -1.198 0.904) 2.457 11.595 ( 5.627 1.712 -2.361) 6.338 12.080 ( -5.993 -1.716 0.989) 6.312 13.177 ( 2.724 2.746 -0.005) 3.867 13.405 ( 5.253 -6.007 1.705) 8.160 13.561 ( -7.111 1.609 0.364) 7.300 14.126 ( 6.780 3.660 0.959) 7.764 14.624 ( -5.007 -3.305 -1.945) 6.307 15.129 ( -3.885 -4.855 -1.262) 6.345 15.202 ( -0.639 -0.520 0.591) 1.014 15.655 ( -0.020 -0.097 -0.021) 0.101 ======================= Grid point 265 (94/116) ======================= q-point: ( 0.80 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -2.442 -4.230 -0.000) 4.884 2.100 ( 2.633 4.560 0.000) 5.266 2.272 ( 2.804 4.856 -0.000) 5.607 2.302 ( 0.584 1.011 0.000) 1.167 2.449 ( 4.490 7.777 -0.000) 8.980 2.503 ( 2.295 3.974 -0.000) 4.589 2.554 ( -0.818 -1.417 -0.000) 1.636 2.670 ( 0.602 1.043 -0.000) 1.204 2.695 ( 0.453 0.785 -0.000) 0.907 2.776 ( 0.670 1.161 -0.000) 1.341 2.817 ( -2.508 -4.345 -0.000) 5.017 2.898 ( 0.823 1.426 -0.000) 1.647 2.974 ( 1.969 3.410 -0.000) 3.938 3.018 ( -0.626 -1.083 -0.000) 1.251 3.069 ( -1.168 -2.022 0.000) 2.335 3.100 ( -3.052 -5.286 -0.000) 6.104 3.116 ( -1.420 -2.460 -0.000) 2.841 3.130 ( -1.118 -1.936 -0.000) 2.236 3.239 ( -0.550 -0.952 0.000) 1.100 3.336 ( 0.077 0.133 0.000) 0.154 3.509 ( -0.660 -1.143 0.000) 1.319 3.543 ( 1.341 2.323 -0.000) 2.683 3.747 ( 0.117 0.203 -0.000) 0.234 3.999 ( -0.203 -0.351 -0.000) 0.406 5.231 ( 0.484 0.839 -0.000) 0.969 5.504 ( -0.003 -0.004 -0.000) 0.005 5.505 ( 0.268 0.465 0.000) 0.537 5.747 ( 0.007 0.011 -0.000) 0.013 5.790 ( -0.707 -1.225 -0.000) 1.415 5.884 ( 0.099 0.171 -0.000) 0.198 7.176 ( 0.542 0.939 -0.000) 1.085 7.225 ( -1.329 -2.302 -0.000) 2.659 7.390 ( -2.040 -3.534 -0.000) 4.081 7.524 ( 0.095 0.165 0.000) 0.191 7.531 ( -0.336 -0.582 -0.000) 0.672 7.683 ( 2.580 4.468 -0.000) 5.160 7.772 ( 0.716 1.239 -0.000) 1.431 7.842 ( -0.594 -1.029 -0.000) 1.189 7.872 ( -1.037 -1.796 0.000) 2.074 8.013 ( -0.292 -0.506 -0.000) 0.585 8.336 ( 0.804 1.393 -0.000) 1.609 8.486 ( -3.000 -5.196 -0.000) 6.000 9.233 ( 0.575 0.996 -0.000) 1.150 9.382 ( -0.333 -0.577 -0.000) 0.666 10.016 ( 5.706 9.883 0.000) 11.412 10.036 ( -0.435 -0.754 -0.000) 0.871 10.474 ( -0.059 -0.102 -0.000) 0.117 10.481 ( 1.401 2.427 0.000) 2.803 10.712 ( -2.539 -4.398 0.000) 5.078 11.287 ( -0.857 -1.485 -0.000) 1.715 11.701 ( 2.994 5.186 -0.000) 5.989 11.940 ( -4.345 -7.526 -0.000) 8.691 13.268 ( 3.102 5.374 0.000) 6.205 13.438 ( -1.970 -3.412 -0.000) 3.940 13.455 ( -0.276 -0.477 -0.000) 0.551 14.288 ( 4.300 7.448 -0.000) 8.600 14.490 ( -3.651 -6.324 -0.000) 7.303 15.041 ( -1.495 -2.589 -0.000) 2.990 15.194 ( -0.097 -0.168 -0.000) 0.194 15.655 ( 0.027 0.047 -0.000) 0.054 ======================= Grid point 274 (95/116) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.000 11.934 0.086) 11.935 1.949 ( 0.000 3.315 -9.188) 9.768 1.974 ( -0.000 8.537 12.294) 14.967 2.191 ( -0.000 12.320 0.035) 12.320 2.238 ( 0.000 -2.153 -2.135) 3.032 2.343 ( -0.000 5.447 1.962) 5.790 2.536 ( -0.000 -0.096 4.067) 4.068 2.561 ( 0.000 -3.897 -0.446) 3.923 2.647 ( 0.000 -1.289 -0.990) 1.626 2.675 ( -0.000 8.931 0.715) 8.960 2.793 ( 0.000 -2.800 -0.519) 2.848 2.923 ( -0.000 6.343 -0.177) 6.345 2.985 ( 0.000 0.856 -0.073) 0.859 3.083 ( -0.000 2.092 1.291) 2.458 3.127 ( -0.000 -1.463 4.982) 5.192 3.170 ( -0.000 -2.916 1.889) 3.474 3.215 ( 0.000 0.645 -1.457) 1.594 3.268 ( -0.000 -4.805 3.715) 6.073 3.374 ( -0.000 -2.343 1.975) 3.064 3.389 ( 0.000 -9.189 -7.223) 11.687 3.433 ( -0.000 -1.194 0.561) 1.319 3.680 ( 0.000 -1.955 -6.992) 7.260 3.718 ( -0.000 0.701 0.201) 0.729 4.000 ( 0.000 1.773 -2.120) 2.764 5.190 ( -0.000 -0.159 1.202) 1.213 5.435 ( -0.000 -0.575 2.797) 2.856 5.550 ( 0.000 0.728 -2.149) 2.269 5.782 ( 0.000 0.763 -3.613) 3.693 5.799 ( -0.000 0.577 0.104) 0.586 5.884 ( -0.000 0.076 0.153) 0.171 7.165 ( 0.000 1.290 -3.799) 4.012 7.263 ( -0.000 0.014 2.778) 2.778 7.383 ( -0.000 0.318 4.041) 4.053 7.437 ( -0.000 -3.943 4.327) 5.854 7.518 ( 0.000 2.054 -0.686) 2.166 7.668 ( 0.000 0.864 -0.339) 0.928 7.831 ( 0.000 -2.509 -0.325) 2.530 7.843 ( 0.000 -7.029 -5.684) 9.039 8.047 ( 0.000 1.347 -0.520) 1.444 8.173 ( 0.000 0.989 -2.125) 2.344 8.245 ( -0.000 -2.811 4.790) 5.554 8.754 ( -0.000 -1.253 6.830) 6.944 9.046 ( 0.000 0.336 -7.458) 7.466 9.299 ( 0.000 2.880 -5.986) 6.643 9.699 ( 0.000 0.295 -0.610) 0.678 10.007 ( 0.000 9.578 -2.484) 9.895 10.212 ( -0.000 -2.093 2.922) 3.594 10.509 ( -0.000 -4.173 7.665) 8.727 11.058 ( -0.000 2.492 1.184) 2.759 11.393 ( 0.000 1.110 -2.414) 2.657 11.405 ( 0.000 -0.357 -4.034) 4.049 12.226 ( -0.000 2.237 0.650) 2.329 13.102 ( -0.000 -0.914 1.827) 2.043 13.316 ( -0.000 -3.751 2.713) 4.629 13.714 ( -0.000 0.952 4.647) 4.743 13.957 ( 0.000 0.568 -0.901) 1.065 14.721 ( 0.000 -1.599 -3.434) 3.788 15.188 ( 0.000 -2.118 -2.754) 3.474 15.252 ( -0.000 -3.451 0.681) 3.518 15.656 ( -0.000 -0.284 0.016) 0.285 ======================= Grid point 275 (96/116) ======================= q-point: ( 0.70 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 2.183 -2.072 -6.756) 7.396 2.083 ( 2.423 5.865 6.986) 9.438 2.102 ( 4.637 6.572 3.735) 8.868 2.220 ( 0.368 1.641 -3.364) 3.761 2.326 ( 3.656 5.654 -0.793) 6.780 2.380 ( 0.501 2.085 -0.041) 2.145 2.529 ( 0.865 -3.218 0.683) 3.401 2.571 ( 2.316 0.032 3.650) 4.323 2.656 ( 2.825 -0.956 -1.262) 3.238 2.751 ( -0.167 2.380 -1.389) 2.760 2.777 ( 0.841 1.320 0.885) 1.798 2.963 ( -1.955 3.992 -0.968) 4.549 2.989 ( 1.527 -1.210 -0.281) 1.968 3.079 ( -3.655 2.395 1.015) 4.486 3.124 ( -0.695 -2.063 -3.783) 4.365 3.146 ( -1.133 -0.676 4.131) 4.336 3.194 ( -2.140 -2.772 0.724) 3.576 3.229 ( -0.841 -3.458 0.054) 3.560 3.272 ( -1.439 -1.646 -2.171) 3.081 3.362 ( -0.224 -2.122 1.336) 2.518 3.437 ( 1.037 -2.073 4.926) 5.444 3.636 ( -2.250 1.770 -5.210) 5.945 3.728 ( 0.606 0.065 -0.106) 0.619 4.005 ( -0.089 0.824 -2.173) 2.326 5.201 ( 0.808 0.125 1.479) 1.690 5.447 ( 1.069 -0.822 2.498) 2.839 5.544 ( -0.632 0.751 -2.042) 2.266 5.768 ( -0.887 0.778 -2.847) 3.082 5.802 ( 0.063 -0.223 -0.957) 0.985 5.886 ( -0.074 0.176 0.360) 0.407 7.167 ( 0.136 1.249 -2.816) 3.084 7.259 ( -0.565 -1.429 1.510) 2.154 7.386 ( 0.321 -4.039 2.342) 4.680 7.441 ( 2.858 -1.856 2.341) 4.134 7.545 ( 1.997 0.609 0.089) 2.090 7.653 ( -2.960 1.764 -5.503) 6.493 7.780 ( -0.501 -0.290 1.344) 1.464 7.820 ( 0.594 -1.378 -0.207) 1.515 8.033 ( -3.034 1.546 -0.303) 3.419 8.122 ( -4.969 0.352 0.181) 4.985 8.261 ( 2.338 -2.189 2.110) 3.836 8.679 ( -7.023 -2.111 2.437) 7.728 9.095 ( 6.645 -1.229 -6.189) 9.164 9.339 ( 3.068 2.573 -2.972) 4.987 9.724 ( 4.390 0.317 -3.899) 5.880 10.101 ( -0.252 9.393 1.802) 9.567 10.253 ( 5.591 -2.170 2.385) 6.455 10.495 ( -0.634 -3.249 8.766) 9.370 10.989 ( -7.791 0.282 -2.872) 8.308 11.365 ( -2.445 0.561 0.633) 2.587 11.471 ( 6.596 0.291 -4.121) 7.783 12.180 ( -5.494 -1.334 -1.697) 5.903 13.137 ( 3.928 0.405 1.188) 4.124 13.314 ( 1.302 -2.213 4.049) 4.794 13.685 ( -5.144 0.542 3.094) 6.028 14.024 ( 6.608 0.521 0.717) 6.668 14.674 ( -3.171 -0.162 -2.939) 4.327 15.133 ( -1.823 -2.630 -3.955) 5.088 15.228 ( -1.810 0.186 2.315) 2.945 15.655 ( 0.006 -0.078 0.085) 0.115 ======================= Grid point 287 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 -6.887 -3.954) 7.941 2.063 ( 0.000 -2.262 -0.435) 2.303 2.156 ( -0.000 2.302 8.028) 8.352 2.219 ( 0.000 2.359 -5.602) 6.079 2.323 ( 0.000 1.466 -1.578) 2.154 2.385 ( -0.000 -0.748 1.845) 1.991 2.514 ( -0.000 0.760 1.127) 1.359 2.554 ( -0.000 -2.154 3.998) 4.542 2.619 ( 0.000 0.178 -0.596) 0.622 2.767 ( -0.000 -0.112 0.038) 0.119 2.778 ( 0.000 -0.451 -0.295) 0.539 2.936 ( 0.000 -3.925 -1.959) 4.387 3.027 ( 0.000 3.975 -0.261) 3.984 3.047 ( 0.000 -4.673 -9.433) 10.527 3.114 ( -0.000 -6.033 2.156) 6.406 3.160 ( -0.000 0.204 3.092) 3.099 3.228 ( 0.000 2.022 -2.463) 3.187 3.233 ( -0.000 1.323 2.663) 2.974 3.305 ( -0.000 7.346 0.853) 7.396 3.345 ( -0.000 -2.005 2.204) 2.980 3.434 ( -0.000 0.044 4.278) 4.278 3.671 ( 0.000 3.933 -2.412) 4.614 3.718 ( 0.000 -0.673 -0.306) 0.739 4.003 ( 0.000 0.461 -2.846) 2.883 5.201 ( -0.000 0.062 2.021) 2.022 5.437 ( -0.000 -1.119 2.404) 2.652 5.547 ( 0.000 0.346 -1.932) 1.962 5.774 ( 0.000 1.116 -3.795) 3.956 5.794 ( 0.000 -0.445 -1.250) 1.327 5.890 ( -0.000 0.279 0.620) 0.680 7.168 ( 0.000 1.503 -3.671) 3.967 7.250 ( -0.000 -2.269 0.903) 2.442 7.356 ( -0.000 -5.588 0.471) 5.607 7.388 ( -0.000 -1.995 3.093) 3.681 7.531 ( -0.000 0.102 0.012) 0.102 7.663 ( 0.000 -0.767 -5.050) 5.108 7.811 ( -0.000 0.406 0.331) 0.524 7.822 ( -0.000 6.022 1.863) 6.303 8.073 ( 0.000 1.496 -1.128) 1.874 8.172 ( 0.000 0.430 -2.375) 2.414 8.228 ( -0.000 -2.254 6.234) 6.629 8.763 ( -0.000 -2.583 6.688) 7.169 8.962 ( 0.000 -1.861 -11.104) 11.259 9.311 ( 0.000 2.478 -5.811) 6.318 9.665 ( 0.000 -1.890 -3.738) 4.189 10.198 ( -0.000 -1.251 2.740) 3.012 10.203 ( -0.000 8.651 3.698) 9.408 10.511 ( -0.000 -1.939 11.455) 11.618 11.024 ( 0.000 -4.012 -6.061) 7.268 11.399 ( 0.000 1.068 -2.207) 2.451 11.409 ( 0.000 1.819 -0.651) 1.932 12.192 ( 0.000 -4.213 -3.534) 5.499 13.097 ( -0.000 -0.848 1.733) 1.929 13.325 ( -0.000 1.775 5.309) 5.598 13.749 ( -0.000 -1.137 5.412) 5.530 13.961 ( 0.000 0.424 -0.853) 0.952 14.700 ( 0.000 2.148 -2.784) 3.516 15.116 ( 0.000 -0.454 -4.753) 4.775 15.265 ( -0.000 1.332 2.640) 2.957 15.655 ( -0.000 0.053 0.142) 0.151 ======================= Grid point 344 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 -0.000 20.313) 20.313 0.668 ( 0.000 -0.000 20.313) 20.313 1.297 ( 0.000 -0.000 48.196) 48.196 1.428 ( -0.000 0.000 -14.571) 14.571 1.428 ( 0.000 0.000 -14.571) 14.571 2.364 ( 0.000 -0.000 6.389) 6.389 2.364 ( 0.000 -0.000 6.389) 6.389 2.436 ( -0.000 0.000 -3.363) 3.363 2.588 ( -0.000 0.000 -6.476) 6.476 2.682 ( -0.000 0.000 -0.757) 0.757 2.689 ( 0.000 0.000 -1.795) 1.795 2.689 ( 0.000 0.000 -1.795) 1.795 3.068 ( 0.000 0.000 -0.357) 0.357 3.068 ( 0.000 0.000 -0.357) 0.357 3.330 ( 0.000 0.000 -2.262) 2.262 3.330 ( 0.000 0.000 -2.262) 2.262 3.430 ( 0.000 -0.000 0.546) 0.546 3.430 ( 0.000 -0.000 0.546) 0.546 3.463 ( 0.000 -0.000 1.830) 1.830 3.480 ( 0.000 -0.000 5.447) 5.447 3.532 ( 0.000 0.000 -0.286) 0.286 3.532 ( 0.000 0.000 -0.286) 0.286 3.888 ( -0.000 0.000 -6.606) 6.606 4.080 ( -0.000 0.000 -5.274) 5.274 5.158 ( 0.000 -0.000 2.099) 2.099 5.459 ( -0.000 -0.000 3.568) 3.568 5.459 ( 0.000 -0.000 3.568) 3.568 5.762 ( 0.000 0.000 -3.498) 3.498 5.762 ( 0.000 0.000 -3.498) 3.498 5.906 ( -0.000 0.000 -0.560) 0.560 7.153 ( 0.000 0.000 -0.996) 0.996 7.153 ( 0.000 0.000 -0.996) 0.996 7.250 ( 0.000 0.000 -2.164) 2.164 7.250 ( 0.000 0.000 -2.164) 2.164 7.663 ( 0.000 -0.000 1.930) 1.930 8.058 ( 0.000 -0.000 1.922) 1.922 8.058 ( 0.000 -0.000 1.922) 1.922 8.112 ( 0.000 -0.000 1.383) 1.383 8.112 ( 0.000 -0.000 1.383) 1.383 8.476 ( -0.000 0.000 -4.283) 4.283 8.702 ( 0.000 -0.000 4.869) 4.869 8.702 ( -0.000 -0.000 4.869) 4.869 8.910 ( 0.000 -0.000 6.310) 6.310 9.198 ( -0.000 0.000 -5.536) 5.536 9.198 ( 0.000 0.000 -5.536) 5.536 9.778 ( -0.000 0.000 -2.989) 2.989 10.312 ( 0.000 -0.000 3.110) 3.110 10.312 ( 0.000 -0.000 3.110) 3.110 11.293 ( 0.000 -0.000 5.533) 5.533 11.358 ( 0.000 0.000 -3.241) 3.241 11.358 ( 0.000 0.000 -3.241) 3.241 11.717 ( -0.000 0.000 -3.899) 3.899 13.133 ( 0.000 -0.000 2.502) 2.502 13.133 ( 0.000 -0.000 2.502) 2.502 13.932 ( 0.000 0.000 -1.364) 1.364 13.932 ( -0.000 0.000 -1.364) 1.364 14.887 ( -0.000 0.000 -2.202) 2.202 15.172 ( 0.000 -0.000 0.869) 0.869 15.686 ( 0.000 -0.000 0.069) 0.069 16.035 ( 0.000 -0.000 0.665) 0.665 ======================= Grid point 345 (99/116) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 12.251 7.073 15.154) 20.731 0.919 ( 12.380 7.147 18.119) 23.079 1.434 ( 5.987 3.457 -9.449) 11.708 1.490 ( 8.192 4.730 -13.585) 16.554 1.543 ( 7.210 4.163 37.303) 38.221 2.398 ( 1.579 0.912 6.362) 6.618 2.399 ( 0.013 0.007 1.573) 1.573 2.441 ( 1.621 0.936 -2.400) 3.044 2.559 ( -0.313 -0.180 -3.302) 3.322 2.648 ( -0.153 -0.088 -1.785) 1.794 2.677 ( -0.089 -0.051 -1.915) 1.918 2.755 ( 3.743 2.161 -1.323) 4.520 3.041 ( -2.073 -1.197 -0.236) 2.405 3.084 ( 0.567 0.328 0.085) 0.661 3.277 ( -6.264 -3.617 8.224) 10.953 3.302 ( -1.650 -0.952 -1.356) 2.338 3.313 ( -0.430 -0.249 -1.996) 2.057 3.402 ( -2.005 -1.158 0.614) 2.395 3.450 ( 0.361 0.208 1.718) 1.768 3.495 ( -0.841 -0.485 0.993) 1.389 3.565 ( 2.466 1.424 2.680) 3.911 3.722 ( 6.392 3.691 -9.024) 11.658 3.880 ( 1.226 0.708 -5.601) 5.777 4.023 ( -2.661 -1.537 -8.478) 9.018 5.171 ( 0.460 0.266 1.641) 1.725 5.455 ( -0.256 -0.148 3.207) 3.221 5.497 ( 0.940 0.542 3.089) 3.274 5.716 ( -1.392 -0.804 -2.873) 3.292 5.785 ( 1.521 0.878 -3.513) 3.927 5.903 ( -0.111 -0.064 -0.588) 0.602 7.118 ( -1.181 -0.682 -0.040) 1.365 7.198 ( 2.567 1.482 -2.168) 3.672 7.227 ( 0.636 0.367 0.138) 0.747 7.300 ( 2.972 1.716 -2.847) 4.459 7.648 ( -1.863 -1.076 1.902) 2.871 7.996 ( -7.589 -4.381 7.519) 11.547 8.036 ( -2.469 -1.425 1.687) 3.313 8.089 ( -0.614 -0.354 2.106) 2.222 8.106 ( -0.074 -0.043 1.660) 1.663 8.385 ( -8.825 -5.095 0.498) 10.203 8.502 ( -5.983 -3.454 -2.808) 7.458 8.772 ( 2.800 1.616 3.804) 4.992 9.022 ( -2.998 -1.731 4.803) 5.920 9.148 ( -1.155 -0.667 -4.523) 4.716 9.183 ( 6.341 3.661 10.256) 12.602 9.820 ( 2.788 1.610 -11.927) 12.354 10.330 ( -0.064 -0.037 2.178) 2.179 10.389 ( 6.028 3.480 -0.140) 6.962 11.230 ( -6.197 -3.578 4.522) 8.465 11.334 ( -0.363 -0.209 -2.257) 2.296 11.386 ( 0.888 0.512 -1.020) 1.446 11.767 ( 6.282 3.627 2.031) 7.532 13.151 ( 0.278 0.160 1.624) 1.656 13.243 ( 7.727 4.461 -2.977) 9.406 13.875 ( -3.969 -2.292 -0.628) 4.626 13.923 ( -0.053 -0.030 -0.912) 0.914 14.889 ( -0.208 -0.120 -4.547) 4.553 15.188 ( 1.078 0.623 -0.323) 1.286 15.683 ( -0.277 -0.160 -0.202) 0.378 15.910 ( -10.160 -5.866 2.184) 11.933 ======================= Grid point 346 (100/116) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 15.510 8.955 9.187) 20.128 1.281 ( 13.160 7.598 16.717) 22.591 1.608 ( 11.233 6.485 -7.173) 14.822 1.688 ( 12.324 7.115 -10.256) 17.541 1.862 ( 10.673 6.162 23.900) 26.891 2.389 ( -1.138 -0.657 1.414) 1.931 2.449 ( 1.073 0.619 -7.799) 7.897 2.472 ( 2.759 1.593 5.717) 6.544 2.564 ( 0.199 0.115 2.136) 2.148 2.672 ( 0.238 0.138 -1.893) 1.913 2.686 ( 4.138 2.389 -1.516) 5.013 2.844 ( 4.168 2.406 -0.552) 4.844 2.969 ( -4.206 -2.428 0.228) 4.862 3.071 ( -1.890 -1.091 3.307) 3.963 3.218 ( -2.648 -1.529 6.124) 6.845 3.259 ( -1.613 -0.932 -1.336) 2.293 3.314 ( 1.299 0.750 -1.160) 1.896 3.345 ( -3.118 -1.800 -0.002) 3.600 3.458 ( -0.407 -0.235 1.415) 1.491 3.468 ( -1.386 -0.800 -0.291) 1.627 3.634 ( 2.484 1.434 2.562) 3.846 3.729 ( -1.711 -0.988 -11.349) 11.520 3.901 ( 1.802 1.040 -2.919) 3.584 3.909 ( -4.810 -2.777 -8.062) 9.790 5.188 ( 0.629 0.363 0.702) 1.010 5.468 ( 0.492 0.284 2.803) 2.860 5.515 ( 0.010 0.005 0.006) 0.012 5.689 ( -0.424 -0.245 0.524) 0.717 5.802 ( 0.852 0.492 -2.909) 3.071 5.898 ( -0.145 -0.084 -0.704) 0.723 7.101 ( -0.450 -0.260 0.979) 1.108 7.251 ( 3.177 1.834 -4.017) 5.440 7.276 ( 2.630 1.518 3.135) 4.365 7.359 ( 3.022 1.745 -3.122) 4.682 7.596 ( -3.209 -1.853 3.104) 4.834 7.850 ( -7.493 -4.326 11.454) 14.355 7.970 ( -3.634 -2.098 1.400) 4.423 8.078 ( -1.102 -0.636 0.325) 1.313 8.113 ( 0.182 0.105 1.666) 1.679 8.158 ( -9.345 -5.395 -1.857) 10.949 8.414 ( -1.978 -1.142 -5.233) 5.710 8.845 ( 2.677 1.545 -0.163) 3.095 8.952 ( -3.239 -1.870 7.490) 8.372 9.120 ( -0.233 -0.135 -0.551) 0.613 9.409 ( 7.444 4.298 12.645) 15.290 9.838 ( 3.716 2.145 -14.888) 15.494 10.323 ( -1.000 -0.577 0.516) 1.265 10.530 ( 6.011 3.470 -2.546) 7.393 11.100 ( -5.291 -3.055 2.292) 6.525 11.328 ( 0.238 0.137 -0.532) 0.598 11.383 ( -0.883 -0.510 1.471) 1.790 11.960 ( 7.946 4.587 5.176) 10.534 13.155 ( -0.187 -0.108 0.255) 0.334 13.397 ( 5.982 3.454 -4.488) 8.237 13.777 ( -3.648 -2.106 -1.346) 4.422 13.924 ( 0.247 0.143 -0.162) 0.328 14.835 ( -2.795 -1.614 -4.003) 5.142 15.207 ( 0.701 0.405 -1.498) 1.703 15.639 ( -11.819 -6.824 2.269) 13.835 15.679 ( -1.555 -0.898 0.098) 1.798 ======================= Grid point 347 (101/116) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 10.213 5.897 15.800) 19.716 1.622 ( 14.553 8.402 4.783) 17.472 1.860 ( 11.994 6.925 -5.907) 15.056 1.953 ( 12.854 7.421 -5.980) 16.002 2.160 ( 9.516 5.494 7.255) 13.167 2.345 ( -2.536 -1.464 -0.089) 2.930 2.491 ( 4.302 2.484 -0.834) 5.037 2.546 ( 1.693 0.978 4.147) 4.585 2.572 ( 0.589 0.340 -0.799) 1.050 2.671 ( -0.088 -0.051 -1.703) 1.706 2.797 ( 5.294 3.056 -0.050) 6.113 2.861 ( -4.939 -2.851 1.124) 5.812 2.933 ( 3.495 2.018 0.280) 4.045 3.050 ( -0.725 -0.419 4.727) 4.801 3.162 ( -3.768 -2.176 4.834) 6.504 3.222 ( -1.127 -0.651 -1.541) 2.017 3.266 ( -3.457 -1.996 -0.609) 4.037 3.352 ( 1.508 0.871 -0.680) 1.869 3.428 ( -2.749 -1.587 -0.151) 3.177 3.433 ( -1.573 -0.908 -0.616) 1.918 3.618 ( -3.332 -1.924 -11.801) 12.413 3.689 ( 1.666 0.962 1.250) 2.294 3.747 ( -7.303 -4.216 -3.442) 9.108 3.937 ( 1.707 0.985 0.251) 1.987 5.201 ( 0.472 0.273 -0.521) 0.754 5.495 ( 0.932 0.538 2.593) 2.807 5.499 ( -0.765 -0.442 -3.026) 3.153 5.702 ( 0.628 0.363 4.036) 4.101 5.804 ( 0.099 0.057 -1.531) 1.535 5.892 ( -0.081 -0.047 -0.805) 0.810 7.105 ( 0.316 0.182 2.028) 2.060 7.295 ( 1.385 0.799 -2.947) 3.353 7.373 ( 5.035 2.907 2.108) 6.185 7.408 ( 2.002 1.156 -3.154) 3.910 7.534 ( -3.278 -1.892 4.063) 5.553 7.729 ( -6.259 -3.614 7.624) 10.505 7.890 ( -3.521 -2.033 0.962) 4.178 7.953 ( -7.068 -4.080 -2.577) 8.558 8.057 ( -0.795 -0.459 -1.785) 2.007 8.128 ( 0.582 0.336 1.714) 1.841 8.358 ( -1.654 -0.955 -4.731) 5.102 8.873 ( 0.523 0.302 -6.329) 6.357 8.933 ( -1.145 -0.661 8.878) 8.976 9.147 ( 1.843 1.064 5.617) 6.007 9.579 ( 3.623 2.092 11.004) 11.772 9.905 ( 6.651 3.840 -13.025) 15.121 10.290 ( -1.689 -0.975 -1.295) 2.341 10.614 ( 1.737 1.003 -3.714) 4.221 11.036 ( -0.667 -0.385 1.046) 1.300 11.341 ( 0.759 0.438 1.211) 1.495 11.369 ( -0.712 -0.411 2.165) 2.316 12.128 ( 4.973 2.871 4.498) 7.294 13.144 ( -0.614 -0.354 -1.071) 1.284 13.437 ( -1.393 -0.804 -4.465) 4.746 13.740 ( 1.296 0.748 -2.966) 3.322 13.933 ( 0.473 0.273 0.561) 0.783 14.751 ( -3.442 -1.987 -1.045) 4.110 15.205 ( -0.768 -0.443 -0.616) 1.080 15.382 ( -9.429 -5.444 1.947) 11.060 15.665 ( -0.391 -0.226 -0.226) 0.505 ======================= Grid point 348 (102/116) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 5.115 2.953 11.595) 13.013 1.931 ( 10.966 6.331 1.717) 12.778 2.075 ( 8.232 4.753 -6.449) 11.487 2.201 ( 9.277 5.356 -1.767) 10.857 2.224 ( -3.214 -1.855 -0.288) 3.722 2.371 ( 3.545 2.047 -2.702) 4.905 2.552 ( -2.413 -1.393 1.101) 2.996 2.562 ( 0.926 0.534 0.014) 1.069 2.642 ( -1.643 -0.948 -0.025) 1.897 2.663 ( 7.304 4.217 2.044) 8.678 2.786 ( -1.753 -1.012 0.812) 2.181 2.920 ( 5.373 3.102 0.192) 6.208 2.983 ( -0.085 -0.049 0.384) 0.397 3.077 ( 1.665 0.961 4.018) 4.454 3.109 ( -1.614 -0.932 6.244) 6.516 3.193 ( -1.912 -1.104 -2.296) 3.185 3.205 ( -0.408 -0.235 0.555) 0.728 3.320 ( -5.992 -3.459 -2.599) 7.390 3.329 ( -3.842 -2.218 -0.925) 4.532 3.391 ( -1.762 -1.017 -1.230) 2.377 3.515 ( -2.820 -1.628 -12.598) 13.012 3.620 ( -1.480 -0.854 4.186) 4.521 3.718 ( 0.580 0.335 0.325) 0.745 3.976 ( 1.157 0.668 2.436) 2.778 5.205 ( 0.205 0.118 -1.630) 1.647 5.468 ( -0.881 -0.509 -3.296) 3.450 5.525 ( 0.895 0.517 2.316) 2.537 5.737 ( 0.963 0.556 4.719) 4.848 5.799 ( -0.287 -0.166 0.191) 0.383 5.889 ( 0.077 0.045 -0.769) 0.775 7.129 ( 0.985 0.569 2.953) 3.165 7.291 ( -0.821 -0.474 -2.292) 2.480 7.421 ( 0.005 0.003 -2.994) 2.994 7.459 ( -3.186 -1.839 0.532) 3.717 7.503 ( 3.217 1.857 2.038) 4.237 7.638 ( -2.163 -1.249 4.942) 5.537 7.822 ( -3.548 -2.049 -1.584) 4.393 7.828 ( -1.864 -1.076 0.224) 2.163 8.049 ( 0.599 0.346 -1.016) 1.229 8.150 ( 0.747 0.431 2.048) 2.222 8.297 ( -2.169 -1.252 -5.041) 5.629 8.833 ( -1.445 -0.834 -8.042) 8.213 8.949 ( -0.709 -0.410 10.314) 10.346 9.228 ( 2.864 1.654 7.280) 7.996 9.657 ( 0.785 0.453 6.416) 6.480 10.041 ( 8.112 4.684 -7.803) 12.191 10.242 ( -1.778 -1.026 -2.568) 3.288 10.588 ( -1.773 -1.024 -6.933) 7.229 11.048 ( -0.119 -0.069 3.570) 3.573 11.368 ( 1.012 0.584 2.244) 2.530 11.375 ( 0.853 0.492 1.054) 1.442 12.211 ( 0.969 0.560 3.374) 3.555 13.122 ( -0.826 -0.477 -1.829) 2.063 13.358 ( -2.564 -1.480 -4.935) 5.755 13.767 ( 1.253 0.723 -5.042) 5.246 13.947 ( 0.518 0.299 0.942) 1.116 14.689 ( -1.731 -0.999 2.276) 3.029 15.151 ( -3.729 -2.153 3.897) 5.807 15.268 ( -1.111 -0.641 -1.957) 2.340 15.657 ( -0.225 -0.130 -0.180) 0.316 ======================= Grid point 355 (103/116) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 13.857 16.183) 21.305 0.982 ( -0.000 14.365 16.049) 21.539 1.383 ( 0.000 7.765 -14.004) 16.013 1.450 ( 0.000 10.455 -14.034) 17.500 1.674 ( -0.000 4.922 39.756) 40.060 2.391 ( 0.000 0.052 -1.236) 1.237 2.428 ( 0.000 1.546 -1.339) 2.046 2.442 ( -0.000 2.825 4.886) 5.643 2.528 ( 0.000 -2.360 -0.532) 2.419 2.645 ( 0.000 0.395 -2.066) 2.103 2.681 ( 0.000 0.329 -2.626) 2.646 2.744 ( 0.000 4.187 -1.465) 4.436 3.055 ( 0.000 -1.580 -0.437) 1.639 3.072 ( -0.000 0.484 0.234) 0.538 3.286 ( 0.000 -2.259 -1.466) 2.693 3.306 ( -0.000 -7.427 9.172) 11.802 3.316 ( 0.000 -0.078 -1.886) 1.888 3.402 ( -0.000 -2.827 1.137) 3.047 3.460 ( -0.000 0.416 2.237) 2.275 3.490 ( -0.000 -1.887 0.382) 1.925 3.572 ( -0.000 3.034 3.498) 4.631 3.702 ( 0.000 6.706 -8.396) 10.745 3.863 ( 0.000 2.038 -5.344) 5.719 3.993 ( 0.000 -1.980 -10.966) 11.143 5.175 ( -0.000 0.374 1.425) 1.473 5.456 ( -0.000 -1.477 3.705) 3.988 5.514 ( -0.000 1.414 2.183) 2.601 5.719 ( 0.000 -0.101 -2.072) 2.074 5.766 ( 0.000 1.387 -3.937) 4.175 5.900 ( 0.000 -0.244 -0.486) 0.543 7.135 ( -0.000 0.278 0.772) 0.820 7.166 ( 0.000 0.189 -2.883) 2.889 7.229 ( -0.000 1.363 1.085) 1.742 7.295 ( 0.000 3.854 -3.092) 4.941 7.654 ( -0.000 -2.169 1.629) 2.713 8.009 ( -0.000 -9.823 6.884) 11.995 8.041 ( -0.000 -2.515 1.414) 2.885 8.070 ( -0.000 -0.560 2.156) 2.227 8.140 ( -0.000 0.899 0.098) 0.904 8.393 ( 0.000 -6.356 -0.878) 6.417 8.506 ( 0.000 -11.730 -1.348) 11.807 8.707 ( -0.000 -0.891 5.682) 5.752 9.075 ( -0.000 -3.304 2.216) 3.978 9.198 ( -0.000 13.583 8.318) 15.928 9.200 ( 0.000 2.307 -5.796) 6.238 9.798 ( 0.000 3.390 -10.863) 11.380 10.309 ( -0.000 -1.594 3.094) 3.480 10.381 ( -0.000 3.620 1.140) 3.795 11.242 ( -0.000 -7.910 3.868) 8.805 11.355 ( 0.000 1.068 -3.140) 3.317 11.394 ( 0.000 4.430 -1.130) 4.572 11.741 ( -0.000 5.318 2.230) 5.766 13.135 ( -0.000 -0.807 2.290) 2.428 13.247 ( 0.000 7.832 -2.143) 8.120 13.856 ( 0.000 -5.890 0.197) 5.893 13.931 ( 0.000 0.517 -1.205) 1.311 14.880 ( 0.000 -0.009 -3.745) 3.745 15.187 ( 0.000 0.888 -0.115) 0.895 15.682 ( 0.000 -0.307 -0.302) 0.431 15.924 ( -0.000 -10.523 1.112) 10.581 ======================= Grid point 356 (104/116) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 7.304 15.322 11.391) 20.442 1.257 ( 8.025 13.805 13.265) 20.759 1.503 ( 7.077 11.591 -9.712) 16.696 1.578 ( 6.729 12.143 -11.815) 18.230 1.889 ( 4.412 5.712 27.826) 28.747 2.393 ( 0.839 1.598 -3.737) 4.150 2.419 ( -0.797 -1.748 -3.311) 3.828 2.491 ( 0.655 3.546 5.240) 6.361 2.546 ( 1.971 -0.776 4.131) 4.643 2.645 ( 0.518 1.472 -3.496) 3.828 2.691 ( 0.913 2.642 -1.628) 3.235 2.803 ( 2.509 3.505 -0.913) 4.406 3.018 ( -2.268 -1.256 -0.187) 2.600 3.065 ( -0.461 -2.415 0.709) 2.559 3.255 ( -1.796 -4.348 7.612) 8.949 3.274 ( 0.599 -0.998 1.413) 1.831 3.294 ( -1.139 -0.547 -1.374) 1.867 3.362 ( -1.498 -3.201 0.501) 3.570 3.465 ( -0.335 -0.806 1.859) 2.054 3.472 ( -0.387 -1.159 0.353) 1.272 3.627 ( 1.492 2.451 2.555) 3.842 3.701 ( -0.704 -0.245 -12.012) 12.035 3.882 ( 1.124 2.624 -3.337) 4.392 3.917 ( -2.396 -2.165 -8.760) 9.336 5.186 ( 0.321 0.373 0.802) 0.940 5.462 ( 0.754 -1.137 3.545) 3.799 5.524 ( -0.511 0.605 -0.631) 1.013 5.709 ( -0.950 1.094 0.699) 1.609 5.779 ( 1.184 0.979 -3.641) 3.952 5.895 ( -0.061 -0.296 -0.462) 0.553 7.121 ( -1.288 0.578 0.803) 1.624 7.198 ( 3.044 1.109 -2.629) 4.172 7.269 ( 1.549 2.316 2.774) 3.932 7.336 ( 1.498 3.652 -3.438) 5.235 7.621 ( -1.466 -2.839 1.948) 3.742 7.906 ( -3.165 -8.926 9.014) 13.075 8.028 ( -1.374 -2.967 2.862) 4.345 8.043 ( -0.595 -1.810 0.583) 1.992 8.130 ( -1.621 -0.423 -0.892) 1.898 8.253 ( -7.318 -7.023 -1.242) 10.218 8.391 ( -0.572 -4.446 -3.395) 5.623 8.748 ( 2.686 -2.866 3.767) 5.443 9.073 ( 0.788 0.640 4.279) 4.398 9.152 ( -4.474 3.921 -4.631) 7.539 9.407 ( 4.734 9.315 11.346) 15.424 9.777 ( 0.195 2.594 -13.968) 14.208 10.345 ( 1.748 0.206 1.516) 2.323 10.441 ( 3.662 2.872 -0.309) 4.664 11.111 ( -4.593 -8.752 1.445) 9.989 11.376 ( 0.878 0.929 0.932) 1.582 11.407 ( -1.974 3.614 -1.449) 4.365 11.889 ( 6.540 6.701 4.051) 10.202 13.145 ( 0.798 -0.936 1.042) 1.612 13.348 ( 3.725 6.705 -2.778) 8.158 13.773 ( -2.214 -6.502 0.100) 6.870 13.936 ( 0.186 1.312 -0.665) 1.483 14.845 ( -1.692 -1.620 -3.497) 4.209 15.198 ( 0.396 0.549 -0.766) 1.022 15.675 ( -0.252 -0.375 -0.312) 0.549 15.739 ( -7.794 -11.888 1.117) 14.259 ======================= Grid point 357 (105/116) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 9.974 13.721 6.459) 18.152 1.580 ( 9.280 11.323 11.917) 18.877 1.736 ( 9.110 10.575 -6.376) 15.345 1.821 ( 11.009 12.295 -7.004) 17.928 2.111 ( 6.438 6.198 10.170) 13.539 2.359 ( -1.983 -3.007 -2.402) 4.329 2.446 ( 3.529 3.733 -0.217) 5.141 2.551 ( 0.601 0.652 4.058) 4.154 2.578 ( 0.558 2.592 1.351) 2.976 2.666 ( 1.329 1.029 -3.044) 3.477 2.757 ( 2.727 4.196 -0.015) 5.004 2.876 ( 2.329 0.738 0.381) 2.472 2.951 ( -4.034 0.625 0.095) 4.083 3.034 ( 0.890 -4.077 1.685) 4.501 3.207 ( -2.366 -3.687 6.436) 7.785 3.245 ( -2.398 -0.128 -0.688) 2.498 3.293 ( -2.716 -3.133 -0.432) 4.169 3.307 ( 2.493 -1.129 -0.710) 2.828 3.446 ( -0.991 -1.450 0.659) 1.876 3.451 ( -1.416 -1.040 1.440) 2.272 3.604 ( -2.737 -2.946 -12.353) 12.991 3.680 ( 1.389 1.708 1.166) 2.491 3.801 ( -5.039 -4.222 -3.368) 7.386 3.925 ( 1.554 2.364 -0.614) 2.895 5.197 ( 0.319 0.359 -0.043) 0.482 5.484 ( 1.349 -0.596 3.191) 3.515 5.505 ( -1.199 0.253 -3.111) 3.343 5.718 ( -0.130 1.135 3.150) 3.351 5.793 ( 0.719 0.622 -2.347) 2.532 5.890 ( -0.075 -0.216 -0.503) 0.552 7.119 ( -0.379 0.902 1.742) 1.998 7.255 ( 2.727 1.440 -3.273) 4.498 7.342 ( 3.005 2.674 3.351) 5.235 7.387 ( 1.743 3.345 -3.304) 5.014 7.569 ( -2.135 -2.592 2.266) 4.051 7.794 ( -4.302 -6.997 6.930) 10.747 7.956 ( -4.909 -0.880 1.665) 5.258 8.001 ( -4.150 -6.385 -0.732) 7.651 8.043 ( -1.244 -3.051 -2.691) 4.254 8.122 ( -1.140 -2.014 -0.476) 2.362 8.349 ( -0.463 -1.595 -2.430) 2.943 8.754 ( 1.959 -5.177 0.637) 5.572 9.103 ( -5.083 7.330 -0.760) 8.952 9.153 ( 2.776 2.631 5.050) 6.335 9.591 ( 3.173 4.232 12.627) 13.690 9.796 ( 4.740 4.216 -14.034) 15.401 10.349 ( -3.135 3.112 -0.241) 4.424 10.544 ( 5.487 0.230 -2.063) 5.867 10.976 ( -0.690 -7.968 -0.248) 8.001 11.379 ( -0.638 -1.203 1.666) 2.152 11.422 ( -2.154 6.500 1.150) 6.944 12.062 ( 6.019 2.708 2.739) 7.146 13.144 ( -0.044 -0.403 -0.622) 0.743 13.446 ( 0.956 3.657 -2.447) 4.503 13.677 ( -0.121 -6.113 -1.177) 6.226 13.961 ( 0.242 3.277 -0.051) 3.287 14.774 ( -2.660 -2.806 -1.355) 4.096 15.203 ( 0.170 0.045 -0.826) 0.844 15.477 ( -9.255 -10.137 1.447) 13.802 15.667 ( -0.225 -0.430 -0.198) 0.524 ======================= Grid point 358 (106/116) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 6.353 7.426 11.010) 14.722 1.864 ( 8.341 11.819 3.348) 14.848 1.956 ( 9.143 7.448 -8.437) 14.500 2.110 ( 9.897 11.151 -2.476) 15.114 2.252 ( -1.236 -0.518 1.091) 1.728 2.314 ( 3.772 2.121 -3.213) 5.390 2.558 ( 0.416 0.568 0.996) 1.220 2.580 ( 3.635 3.186 1.260) 4.995 2.612 ( 0.392 3.513 1.091) 3.699 2.676 ( -1.030 1.538 -1.079) 2.142 2.818 ( -2.228 -0.878 0.747) 2.508 2.864 ( 3.061 1.640 0.536) 3.514 2.972 ( 2.181 1.677 -0.808) 2.867 3.039 ( 2.311 -2.295 1.489) 3.581 3.150 ( -2.377 -2.364 5.029) 6.044 3.201 ( -1.819 -1.898 -2.007) 3.308 3.220 ( -1.975 -1.139 0.130) 2.284 3.310 ( 0.301 -2.933 -3.788) 4.800 3.376 ( -4.471 -4.957 3.202) 7.404 3.421 ( -2.270 -0.773 -0.280) 2.414 3.503 ( -1.672 -0.619 -9.584) 9.749 3.658 ( -4.438 -5.031 3.176) 7.423 3.715 ( 0.714 1.110 0.249) 1.343 3.971 ( 1.352 1.452 1.436) 2.449 5.202 ( 0.002 0.483 -0.917) 1.036 5.474 ( -1.269 0.429 -3.449) 3.700 5.515 ( 1.461 -0.234 2.789) 3.157 5.742 ( 0.611 0.320 3.455) 3.523 5.800 ( 0.147 0.364 -0.419) 0.575 5.886 ( 0.009 -0.089 -0.482) 0.490 7.136 ( 0.361 1.033 2.566) 2.789 7.280 ( 0.518 -0.103 -2.695) 2.746 7.417 ( 0.606 2.405 -3.167) 4.022 7.459 ( 3.609 3.956 1.382) 5.530 7.513 ( -2.426 -1.977 1.248) 3.369 7.674 ( -3.798 -4.604 2.075) 6.318 7.852 ( -4.095 -3.787 -0.469) 5.597 7.876 ( -4.229 -1.795 2.200) 5.094 8.019 ( 1.199 -2.260 -1.141) 2.802 8.111 ( 2.245 -3.218 0.350) 3.939 8.312 ( -1.969 -0.241 -2.607) 3.276 8.725 ( 1.881 -6.651 -1.660) 7.109 9.094 ( -4.170 6.288 2.461) 7.937 9.256 ( 1.717 5.315 5.337) 7.725 9.683 ( 0.641 2.636 6.311) 6.869 9.924 ( 8.018 5.118 -6.150) 11.328 10.309 ( -4.934 3.838 -1.846) 6.517 10.571 ( -0.253 -1.929 -4.572) 4.969 10.951 ( 5.639 -6.408 0.254) 8.539 11.364 ( 0.088 -1.400 0.870) 1.651 11.451 ( -3.070 6.602 3.311) 7.999 12.160 ( 4.213 -1.815 1.314) 4.772 13.136 ( -0.612 0.978 -1.432) 1.839 13.403 ( -5.318 0.286 -3.082) 6.154 13.669 ( 4.620 -4.508 -2.364) 6.875 14.001 ( -0.950 5.491 -0.349) 5.583 14.702 ( -1.733 -3.499 1.625) 4.230 15.191 ( -1.676 -1.402 1.154) 2.471 15.275 ( -4.093 -5.902 0.258) 7.187 15.659 ( -0.197 -0.255 -0.111) 0.341 ======================= Grid point 367 (107/116) ======================= q-point: ( 0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.000 17.567 11.306) 20.890 1.364 ( -0.000 14.960 5.389) 15.901 1.556 ( 0.000 16.578 -4.582) 17.199 1.610 ( 0.000 13.798 -11.664) 18.067 1.997 ( -0.000 5.542 20.688) 21.417 2.379 ( 0.000 0.355 -5.791) 5.802 2.411 ( -0.000 0.163 0.407) 0.439 2.532 ( -0.000 3.423 2.028) 3.979 2.544 ( -0.000 -0.066 5.555) 5.555 2.666 ( 0.000 0.042 -2.583) 2.584 2.679 ( 0.000 4.874 -1.418) 5.076 2.830 ( -0.000 5.082 -0.261) 5.089 2.991 ( 0.000 -4.295 -1.382) 4.512 3.078 ( -0.000 -0.454 1.007) 1.104 3.237 ( 0.000 -1.902 -0.124) 1.906 3.261 ( -0.000 -4.989 9.112) 10.389 3.308 ( 0.000 0.310 -0.175) 0.356 3.338 ( -0.000 -4.238 0.899) 4.332 3.453 ( -0.000 -1.964 0.761) 2.106 3.476 ( -0.000 -0.751 2.415) 2.529 3.649 ( -0.000 2.539 1.747) 3.082 3.654 ( 0.000 -2.142 -13.255) 13.427 3.885 ( 0.000 -2.797 -7.273) 7.792 3.893 ( 0.000 3.463 -2.542) 4.296 5.189 ( -0.000 0.231 0.615) 0.657 5.455 ( -0.000 -1.264 3.880) 4.080 5.531 ( 0.000 0.489 -1.864) 1.927 5.739 ( -0.000 1.769 1.838) 2.551 5.762 ( 0.000 1.101 -4.402) 4.537 5.891 ( 0.000 -0.364 -0.198) 0.415 7.145 ( 0.000 0.238 -3.208) 3.217 7.175 ( -0.000 2.347 2.857) 3.697 7.291 ( -0.000 2.808 3.118) 4.196 7.350 ( 0.000 4.009 -3.718) 5.468 7.608 ( -0.000 -3.429 1.899) 3.920 7.869 ( -0.000 -9.648 9.262) 13.374 7.983 ( -0.000 -3.930 0.370) 3.947 8.060 ( -0.000 -1.747 1.309) 2.183 8.147 ( 0.000 0.476 -1.329) 1.412 8.223 ( 0.000 -9.115 -6.466) 11.175 8.340 ( -0.000 -4.218 1.103) 4.360 8.744 ( -0.000 0.047 6.871) 6.871 9.043 ( 0.000 -0.926 -0.465) 1.036 9.206 ( 0.000 2.630 -6.312) 6.838 9.514 ( -0.000 10.571 11.194) 15.396 9.757 ( 0.000 2.832 -15.707) 15.960 10.293 ( -0.000 -2.133 2.959) 3.648 10.482 ( -0.000 5.171 2.069) 5.569 11.092 ( -0.000 -7.880 2.765) 8.351 11.356 ( 0.000 1.166 -2.845) 3.075 11.434 ( 0.000 0.844 -2.627) 2.760 11.945 ( -0.000 10.057 5.933) 11.677 13.133 ( -0.000 -0.912 2.054) 2.247 13.372 ( 0.000 5.580 -1.891) 5.892 13.737 ( -0.000 -5.836 1.958) 6.156 13.935 ( 0.000 0.648 -1.049) 1.233 14.830 ( 0.000 -2.165 -3.290) 3.938 15.198 ( 0.000 0.421 -0.458) 0.622 15.661 ( 0.000 -6.948 -0.414) 6.960 15.686 ( 0.000 -7.460 -0.394) 7.471 ======================= Grid point 368 (108/116) ======================= q-point: ( 0.60 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.928 15.174 0.918) 16.316 1.612 ( 4.899 15.375 8.075) 18.044 1.729 ( 3.326 12.112 -5.779) 13.826 1.786 ( 6.680 16.240 -2.714) 17.768 2.130 ( 2.665 6.635 7.635) 10.460 2.343 ( -0.994 -3.474 -0.992) 3.747 2.451 ( 1.413 5.364 0.224) 5.552 2.557 ( 0.079 -0.555 2.627) 2.686 2.592 ( 2.541 3.091 0.368) 4.018 2.653 ( -0.282 1.403 -1.499) 2.072 2.758 ( 2.342 4.616 -0.221) 5.180 2.877 ( -0.128 3.455 0.131) 3.460 2.955 ( 1.726 -4.339 -0.486) 4.695 3.038 ( -3.777 -0.604 0.609) 3.873 3.217 ( -0.955 -3.814 4.740) 6.158 3.251 ( 1.487 -2.488 0.044) 2.899 3.281 ( -1.828 -2.774 1.301) 3.568 3.300 ( -1.624 -1.144 0.571) 2.067 3.440 ( 0.083 -1.800 1.198) 2.164 3.467 ( -0.768 -1.193 2.400) 2.788 3.566 ( -1.511 -3.943 -10.253) 11.089 3.683 ( 0.801 1.930 0.688) 2.200 3.806 ( -2.420 -5.094 -4.136) 6.994 3.928 ( 0.883 3.129 -1.189) 3.462 5.195 ( 0.290 0.182 0.324) 0.472 5.466 ( 1.004 -0.976 3.743) 3.996 5.519 ( -0.994 0.629 -3.024) 3.245 5.744 ( -0.680 1.091 -0.237) 1.307 5.779 ( 1.002 1.243 -1.120) 1.950 5.887 ( -0.040 -0.265 -0.051) 0.273 7.136 ( -0.152 0.763 -1.278) 1.496 7.228 ( 1.641 2.364 1.422) 3.210 7.343 ( 1.444 2.761 3.450) 4.648 7.387 ( 1.244 4.088 -3.442) 5.487 7.573 ( -0.864 -3.234 1.637) 3.727 7.794 ( -1.884 -8.021 6.576) 10.542 7.953 ( 0.960 -4.908 0.718) 5.052 8.022 ( -2.392 -2.273 0.725) 3.379 8.051 ( -5.411 -5.638 -7.921) 11.127 8.123 ( -2.232 -2.046 -0.881) 3.154 8.327 ( 0.802 -1.789 1.787) 2.653 8.736 ( -2.610 -1.518 3.700) 4.775 9.100 ( 5.812 0.586 0.190) 5.844 9.205 ( -0.616 4.381 -4.539) 6.338 9.651 ( 0.762 4.861 11.502) 12.510 9.744 ( 1.361 6.577 -14.331) 15.827 10.339 ( 5.498 -1.739 1.461) 5.949 10.523 ( -1.248 3.817 1.938) 4.459 10.970 ( -5.928 -4.955 0.882) 7.776 11.378 ( 0.355 -0.714 0.926) 1.221 11.454 ( 3.206 2.193 -3.820) 5.448 12.058 ( 0.457 6.554 3.324) 7.362 13.135 ( 0.418 -0.659 1.025) 1.289 13.435 ( 3.087 1.988 -0.381) 3.692 13.662 ( -3.874 -3.866 1.555) 5.690 13.963 ( 2.333 1.804 -0.328) 2.967 14.779 ( -1.829 -2.973 -2.110) 4.079 15.200 ( 0.039 0.142 -0.225) 0.269 15.489 ( -4.945 -12.619 -0.779) 13.576 15.666 ( -0.268 -0.410 -0.105) 0.501 ======================= Grid point 369 (109/116) ======================= q-point: ( 0.70 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 8.215 14.229 0.000) 16.430 1.867 ( 6.747 11.686 -0.000) 13.494 1.877 ( 4.541 7.866 0.000) 9.083 2.073 ( 8.427 14.596 -0.000) 16.854 2.270 ( 3.881 6.722 0.000) 7.762 2.275 ( -2.182 -3.779 -0.000) 4.364 2.556 ( 3.618 6.267 0.000) 7.236 2.561 ( 0.241 0.418 -0.000) 0.482 2.664 ( 1.583 2.743 -0.000) 3.167 2.668 ( 0.700 1.213 0.000) 1.401 2.828 ( 1.560 2.702 -0.000) 3.120 2.867 ( -1.395 -2.417 -0.000) 2.791 2.952 ( -0.626 -1.085 -0.000) 1.252 2.998 ( 0.710 1.230 -0.000) 1.420 3.170 ( -1.510 -2.615 0.000) 3.020 3.204 ( -2.233 -3.867 -0.000) 4.466 3.250 ( -1.348 -2.334 -0.000) 2.696 3.263 ( -0.291 -0.503 0.000) 0.581 3.396 ( -3.028 -5.244 -0.000) 6.055 3.438 ( -1.324 -2.293 -0.000) 2.648 3.495 ( -0.448 -0.777 -0.000) 0.897 3.679 ( -3.965 -6.867 -0.000) 7.929 3.715 ( 0.798 1.383 -0.000) 1.597 3.969 ( 1.118 1.936 -0.000) 2.236 5.204 ( 0.260 0.449 -0.000) 0.519 5.492 ( 0.003 0.006 -0.000) 0.007 5.495 ( 0.185 0.320 0.000) 0.370 5.745 ( 0.119 0.206 0.000) 0.238 5.800 ( 0.401 0.695 -0.000) 0.803 5.884 ( -0.069 -0.120 -0.000) 0.138 7.145 ( 0.454 0.786 -0.000) 0.908 7.267 ( 0.417 0.722 -0.000) 0.834 7.418 ( 2.414 4.181 -0.000) 4.828 7.450 ( 2.206 3.821 -0.000) 4.412 7.527 ( -1.550 -2.685 -0.000) 3.100 7.687 ( -3.444 -5.965 -0.000) 6.888 7.870 ( -3.343 -5.790 -0.000) 6.686 7.944 ( -1.592 -2.757 -0.000) 3.184 7.961 ( -1.461 -2.531 0.000) 2.922 8.065 ( -1.320 -2.286 -0.000) 2.639 8.327 ( -0.210 -0.364 -0.000) 0.421 8.671 ( -2.201 -3.812 -0.000) 4.402 9.171 ( 1.070 1.853 -0.000) 2.139 9.280 ( 3.169 5.489 -0.000) 6.338 9.715 ( 2.140 3.707 0.000) 4.280 9.855 ( 4.262 7.382 -0.000) 8.524 10.408 ( 0.965 1.671 -0.000) 1.929 10.534 ( -0.104 -0.180 -0.000) 0.208 10.847 ( -2.328 -4.031 -0.000) 4.655 11.357 ( -0.953 -1.651 -0.000) 1.906 11.534 ( 2.294 3.974 -0.000) 4.589 12.101 ( 0.125 0.216 -0.000) 0.249 13.144 ( 0.475 0.822 -0.000) 0.949 13.494 ( 0.576 0.997 -0.000) 1.152 13.555 ( -2.566 -4.444 -0.000) 5.132 14.040 ( 2.676 4.635 -0.000) 5.353 14.701 ( -2.467 -4.273 -0.000) 4.934 15.197 ( -0.362 -0.627 -0.000) 0.724 15.285 ( -5.207 -9.019 -0.000) 10.414 15.659 ( -0.155 -0.268 -0.000) 0.309 ======================= Grid point 379 (110/116) ======================= q-point: ( 0.60 0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 15.176 -2.118) 15.323 1.744 ( 0.000 14.168 -4.217) 14.782 1.794 ( -0.000 11.438 0.970) 11.479 1.902 ( -0.000 16.688 3.031) 16.961 2.196 ( -0.000 7.558 1.689) 7.744 2.320 ( -0.000 -3.621 2.559) 4.434 2.502 ( -0.000 7.508 -0.273) 7.513 2.557 ( -0.000 -0.652 1.595) 1.723 2.583 ( 0.000 1.201 -2.149) 2.462 2.657 ( -0.000 0.035 0.281) 0.284 2.798 ( -0.000 6.417 0.053) 6.417 2.876 ( 0.000 -5.598 -1.653) 5.837 2.930 ( -0.000 4.354 0.693) 4.409 3.071 ( -0.000 -0.385 0.137) 0.409 3.204 ( -0.000 -4.635 1.267) 4.805 3.210 ( -0.000 -1.038 0.489) 1.148 3.258 ( -0.000 -4.288 1.074) 4.421 3.329 ( -0.000 0.264 3.357) 3.368 3.423 ( -0.000 -1.973 1.231) 2.326 3.461 ( 0.000 -1.866 -3.722) 4.163 3.512 ( -0.000 -5.140 1.052) 5.246 3.696 ( -0.000 1.653 0.102) 1.656 3.755 ( 0.000 -6.325 -4.222) 7.605 3.946 ( 0.000 2.941 -1.448) 3.278 5.195 ( -0.000 0.032 0.663) 0.664 5.461 ( -0.000 -0.920 3.788) 3.898 5.525 ( 0.000 0.825 -2.877) 2.993 5.750 ( 0.000 0.973 -4.661) 4.762 5.786 ( -0.000 1.098 1.824) 2.129 5.886 ( -0.000 -0.174 0.322) 0.366 7.132 ( 0.000 0.689 -3.160) 3.234 7.253 ( -0.000 2.306 4.220) 4.809 7.370 ( -0.000 2.339 3.900) 4.548 7.405 ( 0.000 4.524 -3.355) 5.632 7.550 ( -0.000 -3.521 0.914) 3.638 7.753 ( -0.000 -7.320 4.018) 8.350 7.899 ( 0.000 -4.200 -0.595) 4.242 7.974 ( 0.000 -8.571 -7.055) 11.101 8.044 ( -0.000 -1.122 0.473) 1.218 8.147 ( 0.000 0.772 -1.920) 2.070 8.309 ( -0.000 -2.094 4.401) 4.874 8.796 ( -0.000 -0.272 7.698) 7.703 9.015 ( 0.000 0.053 -6.144) 6.145 9.215 ( 0.000 2.996 -6.884) 7.508 9.683 ( 0.000 0.604 -3.792) 3.840 9.803 ( -0.000 10.803 1.422) 10.896 10.268 ( -0.000 -2.362 2.737) 3.615 10.572 ( -0.000 0.803 4.115) 4.192 11.027 ( -0.000 -0.247 2.473) 2.485 11.361 ( 0.000 1.200 -2.478) 2.753 11.405 ( 0.000 -0.918 -4.238) 4.336 12.144 ( -0.000 6.437 1.594) 6.632 13.128 ( -0.000 -0.970 1.881) 2.116 13.403 ( -0.000 -2.479 1.756) 3.038 13.703 ( -0.000 0.647 3.801) 3.856 13.941 ( 0.000 0.679 -0.959) 1.175 14.758 ( 0.000 -2.964 -2.294) 3.748 15.201 ( -0.000 -0.045 0.105) 0.114 15.403 ( 0.000 -11.447 -1.948) 11.612 15.664 ( 0.000 -0.461 0.007) 0.461 ======================= Grid point 462 (111/116) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 -0.000 19.093) 19.093 0.876 ( 0.000 -0.000 19.093) 19.093 1.264 ( -0.000 0.000 -16.331) 16.331 1.264 ( 0.000 0.000 -16.331) 16.331 1.771 ( 0.000 -0.000 39.258) 39.258 2.369 ( -0.000 0.000 -10.016) 10.016 2.426 ( 0.000 -0.000 4.891) 4.891 2.426 ( 0.000 -0.000 4.891) 4.891 2.540 ( -0.000 0.000 -2.236) 2.236 2.666 ( -0.000 0.000 -2.254) 2.254 2.666 ( 0.000 0.000 -2.254) 2.254 2.670 ( -0.000 0.000 -1.411) 1.411 3.067 ( -0.000 -0.000 0.185) 0.185 3.067 ( 0.000 -0.000 0.185) 0.185 3.307 ( 0.000 0.000 -1.819) 1.819 3.307 ( 0.000 0.000 -1.819) 1.819 3.437 ( 0.000 -0.000 0.704) 0.704 3.437 ( 0.000 -0.000 0.704) 0.704 3.525 ( 0.000 -0.000 9.906) 9.906 3.528 ( 0.000 0.000 -0.439) 0.439 3.528 ( 0.000 0.000 -0.439) 0.439 3.537 ( 0.000 -0.000 4.791) 4.791 3.821 ( -0.000 0.000 -5.467) 5.467 3.968 ( -0.000 0.000 -14.842) 14.842 5.176 ( 0.000 -0.000 1.268) 1.268 5.496 ( -0.000 -0.000 3.152) 3.152 5.496 ( -0.000 -0.000 3.152) 3.152 5.725 ( 0.000 0.000 -3.185) 3.185 5.725 ( 0.000 0.000 -3.185) 3.185 5.901 ( -0.000 0.000 -0.360) 0.360 7.146 ( 0.000 0.000 -0.327) 0.327 7.146 ( 0.000 0.000 -0.327) 0.327 7.229 ( 0.000 0.000 -1.580) 1.580 7.229 ( 0.000 0.000 -1.580) 1.580 7.679 ( 0.000 -0.000 1.105) 1.105 8.077 ( 0.000 -0.000 1.411) 1.411 8.077 ( 0.000 -0.000 1.411) 1.411 8.122 ( -0.000 -0.000 0.637) 0.637 8.122 ( 0.000 -0.000 0.637) 0.637 8.440 ( -0.000 0.000 -2.501) 2.501 8.750 ( 0.000 -0.000 3.836) 3.836 8.750 ( 0.000 -0.000 3.836) 3.836 8.962 ( 0.000 -0.000 3.347) 3.347 9.144 ( -0.000 0.000 -4.225) 4.225 9.144 ( -0.000 0.000 -4.225) 4.225 9.755 ( -0.000 0.000 -1.383) 1.383 10.340 ( 0.000 -0.000 2.037) 2.037 10.340 ( 0.000 -0.000 2.037) 2.037 11.329 ( -0.000 0.000 -2.118) 2.118 11.329 ( -0.000 0.000 -2.118) 2.118 11.342 ( 0.000 -0.000 3.600) 3.600 11.682 ( -0.000 0.000 -2.553) 2.553 13.154 ( 0.000 -0.000 1.463) 1.463 13.154 ( 0.000 -0.000 1.463) 1.463 13.920 ( -0.000 0.000 -0.797) 0.797 13.920 ( -0.000 0.000 -0.797) 0.797 14.870 ( -0.000 0.000 -1.056) 1.056 15.180 ( 0.000 -0.000 0.624) 0.624 15.684 ( -0.000 0.000 -0.314) 0.314 16.041 ( 0.000 -0.000 0.334) 0.334 ======================= Grid point 463 (112/116) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 9.305 5.372 14.863) 18.340 1.099 ( 11.036 6.372 15.323) 19.929 1.294 ( 8.584 4.956 -13.274) 16.567 1.341 ( 9.751 5.630 -14.358) 18.246 1.925 ( 2.500 1.443 28.604) 28.749 2.343 ( 1.215 0.701 -9.926) 10.025 2.439 ( -0.858 -0.495 1.000) 1.407 2.458 ( 1.679 0.970 4.423) 4.829 2.562 ( 2.432 1.404 2.317) 3.641 2.619 ( -0.983 -0.567 -3.324) 3.513 2.657 ( -0.009 -0.005 -1.533) 1.533 2.739 ( 3.969 2.292 -1.480) 4.816 3.043 ( -2.048 -1.183 0.556) 2.430 3.083 ( 0.803 0.464 -0.323) 0.982 3.286 ( -1.394 -0.805 -1.485) 2.190 3.296 ( -0.096 -0.055 -0.740) 0.748 3.372 ( -4.741 -2.737 7.542) 9.320 3.410 ( -2.255 -1.302 0.643) 2.682 3.480 ( -0.496 -0.286 4.755) 4.789 3.497 ( -1.503 -0.868 -0.305) 1.762 3.595 ( 2.451 1.415 2.431) 3.731 3.648 ( 2.466 1.424 -5.691) 6.363 3.830 ( 2.027 1.170 -3.413) 4.139 3.905 ( -0.894 -0.516 -10.953) 11.001 5.184 ( 0.276 0.159 0.751) 0.816 5.491 ( -0.423 -0.244 3.456) 3.491 5.515 ( -0.046 -0.026 -0.108) 0.120 5.701 ( -0.282 -0.163 0.386) 0.505 5.746 ( 1.611 0.930 -3.742) 4.179 5.898 ( -0.173 -0.100 -0.303) 0.363 7.124 ( -0.879 -0.507 1.048) 1.459 7.171 ( 1.553 0.897 -2.526) 3.098 7.239 ( 2.035 1.175 1.815) 2.969 7.270 ( 2.701 1.559 -2.697) 4.123 7.662 ( -1.676 -0.968 0.786) 2.089 8.044 ( -4.011 -2.316 2.219) 5.136 8.050 ( -2.488 -1.437 0.807) 2.985 8.104 ( -1.123 -0.649 0.469) 1.379 8.123 ( 0.096 0.056 1.429) 1.434 8.387 ( -5.339 -3.083 -0.208) 6.169 8.487 ( -11.491 -6.635 -0.055) 13.269 8.793 ( 1.624 0.938 -0.381) 1.914 9.063 ( -2.385 -1.377 2.959) 4.043 9.120 ( -0.039 -0.023 -0.205) 0.210 9.259 ( 12.015 6.937 3.781) 14.380 9.729 ( -1.154 -0.666 -5.010) 5.184 10.344 ( -0.557 -0.321 0.296) 0.708 10.390 ( 4.282 2.472 0.138) 4.946 11.265 ( -6.625 -3.825 1.846) 7.870 11.320 ( 0.152 0.088 -0.338) 0.381 11.381 ( 2.276 1.314 0.018) 2.628 11.771 ( 8.354 4.823 -0.820) 9.681 13.160 ( -0.114 -0.066 0.156) 0.204 13.228 ( 5.781 3.338 -0.222) 6.679 13.867 ( -4.012 -2.316 -0.782) 4.698 13.918 ( 0.156 0.090 -0.101) 0.207 14.857 ( -1.045 -0.603 -1.499) 1.924 15.187 ( 0.463 0.267 0.047) 0.536 15.680 ( -0.285 -0.165 -0.258) 0.419 15.925 ( -9.492 -5.480 0.803) 10.989 ======================= Grid point 464 (113/116) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 12.998 7.504 7.529) 16.791 1.423 ( 13.535 7.814 6.566) 16.952 1.528 ( 13.003 7.507 -2.998) 15.311 1.585 ( 14.428 8.330 -8.435) 18.674 2.067 ( 4.028 2.325 9.581) 10.650 2.369 ( 2.527 1.459 -5.242) 5.999 2.406 ( -0.992 -0.573 1.265) 1.707 2.525 ( 2.637 1.522 3.517) 4.652 2.579 ( -0.900 -0.520 -0.571) 1.186 2.655 ( 0.189 0.109 -0.828) 0.856 2.672 ( 5.337 3.081 -0.539) 6.186 2.834 ( 4.577 2.643 -0.932) 5.367 2.977 ( -4.004 -2.312 1.182) 4.773 3.085 ( -0.547 -0.316 -0.104) 0.640 3.244 ( -1.646 -0.950 -1.277) 2.290 3.290 ( -2.852 -1.647 2.950) 4.422 3.316 ( -0.267 -0.154 2.038) 2.062 3.345 ( -3.474 -2.006 -0.233) 4.018 3.462 ( -1.469 -0.848 -0.764) 1.861 3.479 ( -0.947 -0.547 2.983) 3.177 3.610 ( -2.391 -1.380 -8.668) 9.097 3.654 ( 2.101 1.213 0.827) 2.563 3.849 ( -2.828 -1.633 -1.396) 3.551 3.881 ( 2.860 1.651 -0.525) 3.344 5.192 ( 0.287 0.166 0.065) 0.338 5.495 ( -0.930 -0.537 -3.352) 3.520 5.502 ( 0.278 0.160 3.291) 3.306 5.715 ( 0.679 0.392 3.966) 4.043 5.768 ( 1.390 0.802 -3.263) 3.636 5.892 ( -0.244 -0.141 -0.327) 0.431 7.117 ( -0.129 -0.074 2.114) 2.119 7.209 ( 2.694 1.555 -3.680) 4.818 7.311 ( 3.146 1.816 3.566) 5.091 7.325 ( 2.885 1.666 -3.311) 4.697 7.614 ( -2.605 -1.504 0.526) 3.054 7.922 ( -6.901 -3.984 0.755) 8.004 7.982 ( -3.611 -2.085 0.662) 4.221 8.075 ( -1.521 -0.878 -1.258) 2.160 8.131 ( 0.211 0.122 1.674) 1.691 8.160 ( -10.677 -6.164 3.758) 12.889 8.366 ( -2.198 -1.269 -3.654) 4.449 8.812 ( 0.911 0.526 -5.498) 5.598 9.015 ( -1.929 -1.114 4.464) 4.988 9.145 ( 1.513 0.873 4.777) 5.086 9.544 ( 9.713 5.608 10.668) 15.478 9.698 ( 1.199 0.692 -9.517) 9.617 10.318 ( -1.520 -0.878 -1.513) 2.317 10.505 ( 5.297 3.058 -2.257) 6.519 11.110 ( -6.096 -3.519 -0.429) 7.052 11.333 ( 0.747 0.431 1.445) 1.682 11.406 ( -0.174 -0.100 2.650) 2.658 11.982 ( 8.936 5.159 -0.885) 10.357 13.150 ( -0.577 -0.333 -1.125) 1.308 13.367 ( 5.331 3.078 -1.104) 6.254 13.759 ( -4.269 -2.465 -2.028) 5.330 13.926 ( 0.459 0.265 0.583) 0.787 14.813 ( -2.367 -1.367 -0.175) 2.739 15.197 ( 0.406 0.235 -0.396) 0.614 15.655 ( -8.598 -4.964 0.947) 9.973 15.681 ( -4.412 -2.547 0.412) 5.112 ======================= Grid point 474 (114/116) ======================= q-point: ( 0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 11.291 14.015) 17.998 1.130 ( -0.000 10.171 7.419) 12.589 1.250 ( 0.000 11.354 -6.644) 13.155 1.297 ( 0.000 12.085 -14.039) 18.524 2.006 ( -0.000 1.407 18.129) 18.184 2.310 ( 0.000 2.045 -8.110) 8.364 2.441 ( -0.000 -1.083 0.878) 1.394 2.477 ( -0.000 2.365 1.116) 2.615 2.555 ( -0.000 1.683 3.888) 4.236 2.616 ( 0.000 -0.438 -2.921) 2.954 2.656 ( 0.000 0.120 -1.574) 1.579 2.732 ( 0.000 4.474 -0.387) 4.491 3.050 ( 0.000 -2.047 -0.590) 2.130 3.077 ( -0.000 0.689 0.666) 0.958 3.277 ( 0.000 -1.810 -0.014) 1.810 3.299 ( 0.000 0.088 -1.101) 1.104 3.391 ( -0.000 -4.483 4.181) 6.130 3.412 ( -0.000 -2.759 0.490) 2.802 3.493 ( -0.000 -1.960 0.335) 1.988 3.501 ( -0.000 -1.026 4.625) 4.738 3.602 ( -0.000 2.690 1.494) 3.077 3.629 ( 0.000 0.900 -4.866) 4.948 3.821 ( 0.000 2.654 -1.996) 3.321 3.877 ( 0.000 0.600 -7.178) 7.203 5.185 ( -0.000 0.261 0.408) 0.484 5.495 ( -0.000 -1.241 3.300) 3.526 5.519 ( 0.000 0.136 -1.338) 1.345 5.715 ( -0.000 1.202 1.549) 1.960 5.724 ( 0.000 1.026 -3.633) 3.775 5.897 ( 0.000 -0.245 -0.119) 0.272 7.140 ( 0.000 -0.560 -2.050) 2.125 7.148 ( -0.000 0.993 1.745) 2.008 7.245 ( -0.000 2.479 1.930) 3.141 7.263 ( 0.000 3.303 -2.717) 4.277 7.664 ( -0.000 -1.941 0.429) 1.988 8.049 ( -0.000 -5.047 1.250) 5.199 8.052 ( -0.000 -2.738 0.499) 2.783 8.095 ( -0.000 -1.389 2.067) 2.490 8.135 ( 0.000 0.454 -0.874) 0.985 8.386 ( 0.000 -4.700 -0.261) 4.708 8.494 ( 0.000 -15.012 -1.000) 15.045 8.764 ( -0.000 0.063 4.627) 4.628 9.083 ( 0.000 -2.840 -0.686) 2.922 9.144 ( 0.000 1.592 -4.332) 4.616 9.261 ( -0.000 16.756 3.292) 17.077 9.721 ( 0.000 -1.802 -3.511) 3.946 10.336 ( -0.000 -1.232 1.802) 2.182 10.390 ( -0.000 3.831 0.391) 3.851 11.268 ( -0.000 -7.869 1.125) 7.949 11.328 ( 0.000 0.753 -1.806) 1.957 11.385 ( 0.000 3.864 -0.594) 3.909 11.758 ( -0.000 8.831 1.344) 8.932 13.154 ( -0.000 -0.559 1.273) 1.390 13.233 ( 0.000 6.391 -0.874) 6.451 13.860 ( -0.000 -5.128 0.587) 5.161 13.921 ( 0.000 0.404 -0.669) 0.781 14.855 ( 0.000 -1.108 -1.028) 1.512 15.188 ( -0.000 0.424 0.048) 0.427 15.679 ( 0.000 -0.314 -0.160) 0.353 15.929 ( 0.000 -10.580 0.028) 10.580 ======================= Grid point 475 (115/116) ======================= q-point: ( 0.60 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 6.895 11.942 0.000) 13.790 1.338 ( 7.590 13.147 -0.000) 15.180 1.459 ( 7.513 13.013 -0.000) 15.026 1.468 ( 8.357 14.475 0.000) 16.714 2.065 ( 1.326 2.297 -0.000) 2.652 2.339 ( 1.798 3.114 -0.000) 3.595 2.417 ( -0.974 -1.688 -0.000) 1.949 2.524 ( 1.898 3.287 -0.000) 3.795 2.582 ( -0.658 -1.141 -0.000) 1.317 2.612 ( 1.290 2.235 0.000) 2.581 2.681 ( 1.644 2.847 0.000) 3.288 2.797 ( 2.320 4.019 -0.000) 4.640 3.018 ( -1.175 -2.035 -0.000) 2.349 3.068 ( -0.965 -1.672 -0.000) 1.931 3.266 ( -0.345 -0.597 -0.000) 0.690 3.285 ( -0.432 -0.749 -0.000) 0.865 3.335 ( -2.300 -3.984 -0.000) 4.601 3.365 ( -1.897 -3.286 -0.000) 3.795 3.470 ( -0.752 -1.302 -0.000) 1.504 3.492 ( -0.589 -1.021 -0.000) 1.179 3.605 ( -1.000 -1.732 0.000) 2.000 3.643 ( 1.269 2.198 -0.000) 2.538 3.860 ( 0.013 0.022 -0.000) 0.026 3.864 ( 0.961 1.664 -0.000) 1.922 5.191 ( 0.170 0.294 -0.000) 0.339 5.496 ( -0.286 -0.495 -0.000) 0.571 5.504 ( -0.267 -0.462 -0.000) 0.533 5.724 ( 0.426 0.737 0.000) 0.852 5.748 ( 0.942 1.631 -0.000) 1.884 5.893 ( -0.156 -0.269 -0.000) 0.311 7.127 ( -0.064 -0.111 -0.000) 0.129 7.183 ( 1.261 2.184 -0.000) 2.522 7.299 ( 1.575 2.728 -0.000) 3.150 7.302 ( 1.912 3.311 0.000) 3.824 7.631 ( -1.390 -2.407 -0.000) 2.779 7.954 ( -3.608 -6.249 -0.000) 7.216 8.046 ( -1.017 -1.762 -0.000) 2.035 8.052 ( -1.532 -2.653 -0.000) 3.063 8.121 ( -1.160 -2.009 0.000) 2.319 8.242 ( -5.949 -10.303 0.000) 11.897 8.373 ( -1.691 -2.929 -0.000) 3.382 8.770 ( -0.569 -0.986 -0.000) 1.139 9.101 ( 0.947 1.640 -0.000) 1.893 9.120 ( 0.315 0.545 0.000) 0.630 9.488 ( 6.872 11.903 -0.000) 13.744 9.683 ( -0.729 -1.262 -0.000) 1.457 10.354 ( 0.462 0.799 -0.000) 0.923 10.439 ( 2.080 3.604 -0.000) 4.161 11.118 ( -5.103 -8.839 -0.000) 10.207 11.386 ( 1.743 3.019 -0.000) 3.486 11.395 ( 0.131 0.227 0.000) 0.262 11.910 ( 5.053 8.752 -0.000) 10.106 13.150 ( -0.299 -0.518 -0.000) 0.598 13.334 ( 3.717 6.439 -0.000) 7.435 13.774 ( -3.353 -5.808 -0.000) 6.706 13.932 ( 0.650 1.126 -0.000) 1.300 14.826 ( -1.203 -2.084 -0.000) 2.406 15.194 ( 0.218 0.378 -0.000) 0.437 15.673 ( -0.217 -0.376 -0.000) 0.434 15.744 ( -7.110 -12.315 -0.000) 14.220 ======================= Grid point 586 (116/116) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.000 -0.000 0.000) 0.000 1.041 ( 0.000 -0.000 0.000) 0.000 1.114 ( -0.000 0.000 -0.000) 0.000 1.114 ( -0.000 0.000 -0.000) 0.000 2.032 ( 0.000 -0.000 0.000) 0.000 2.269 ( 0.000 -0.000 0.000) 0.000 2.455 ( 0.000 -0.000 0.000) 0.000 2.455 ( 0.000 -0.000 0.000) 0.000 2.531 ( 0.000 -0.000 0.000) 0.000 2.652 ( 0.000 0.000 -0.000) 0.000 2.652 ( 0.000 0.000 -0.000) 0.000 2.660 ( 0.000 -0.000 0.000) 0.000 3.069 ( 0.000 -0.000 0.000) 0.000 3.069 ( 0.000 -0.000 0.000) 0.000 3.296 ( 0.000 -0.000 0.000) 0.000 3.296 ( 0.000 -0.000 0.000) 0.000 3.441 ( 0.000 -0.000 0.000) 0.000 3.441 ( 0.000 -0.000 0.000) 0.000 3.525 ( 0.000 -0.000 0.000) 0.000 3.525 ( 0.000 -0.000 0.000) 0.000 3.566 ( 0.000 -0.000 0.000) 0.000 3.616 ( 0.000 -0.000 0.000) 0.000 3.788 ( 0.000 -0.000 0.000) 0.000 3.846 ( 0.000 0.000 -0.000) 0.000 5.183 ( 0.000 -0.000 0.000) 0.000 5.515 ( 0.000 -0.000 0.000) 0.000 5.515 ( 0.000 -0.000 0.000) 0.000 5.706 ( 0.000 -0.000 0.000) 0.000 5.706 ( 0.000 -0.000 0.000) 0.000 5.899 ( 0.000 -0.000 0.000) 0.000 7.145 ( -0.000 -0.000 0.000) 0.000 7.145 ( -0.000 -0.000 0.000) 0.000 7.220 ( 0.000 -0.000 0.000) 0.000 7.220 ( -0.000 -0.000 0.000) 0.000 7.685 ( 0.000 -0.000 0.000) 0.000 8.085 ( -0.000 -0.000 0.000) 0.000 8.085 ( 0.000 -0.000 0.000) 0.000 8.125 ( 0.000 -0.000 0.000) 0.000 8.125 ( 0.000 -0.000 0.000) 0.000 8.426 ( 0.000 -0.000 0.000) 0.000 8.772 ( -0.000 -0.000 0.000) 0.000 8.772 ( 0.000 -0.000 0.000) 0.000 8.979 ( 0.000 -0.000 0.000) 0.000 9.120 ( -0.000 -0.000 0.000) 0.000 9.120 ( 0.000 -0.000 0.000) 0.000 9.748 ( 0.000 -0.000 0.000) 0.000 10.351 ( 0.000 -0.000 0.000) 0.000 10.351 ( 0.000 -0.000 0.000) 0.000 11.317 ( 0.000 -0.000 0.000) 0.000 11.317 ( 0.000 -0.000 0.000) 0.000 11.362 ( 0.000 -0.000 0.000) 0.000 11.667 ( 0.000 -0.000 0.000) 0.000 13.162 ( 0.000 -0.000 0.000) 0.000 13.162 ( -0.000 -0.000 0.000) 0.000 13.916 ( -0.000 -0.000 0.000) 0.000 13.916 ( 0.000 -0.000 0.000) 0.000 14.865 ( 0.000 -0.000 0.000) 0.000 15.183 ( 0.000 -0.000 0.000) 0.000 15.682 ( 0.000 -0.000 0.000) 0.000 16.042 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/60000 10.0 169.532 169.532 82.181 0.000 -0.000 0.000 3/60000 20.0 34.870 34.870 13.390 0.000 -0.000 0.000 3/60000 30.0 16.729 16.729 6.477 0.000 -0.000 0.000 3/60000 40.0 10.708 10.708 4.311 0.000 -0.000 0.000 3/60000 50.0 7.637 7.637 3.211 0.000 -0.000 0.000 3/60000 60.0 5.782 5.782 2.533 0.000 -0.000 0.000 3/60000 70.0 4.569 4.569 2.077 0.000 -0.000 0.000 3/60000 80.0 3.736 3.736 1.753 0.000 -0.000 0.000 3/60000 90.0 3.140 3.140 1.513 0.000 -0.000 0.000 3/60000 100.0 2.700 2.700 1.331 0.000 -0.000 0.000 3/60000 110.0 2.364 2.364 1.188 0.000 -0.000 0.000 3/60000 120.0 2.102 2.102 1.074 0.000 -0.000 0.000 3/60000 130.0 1.893 1.893 0.980 0.000 -0.000 0.000 3/60000 140.0 1.722 1.722 0.902 0.000 -0.000 0.000 3/60000 150.0 1.580 1.580 0.836 0.000 -0.000 0.000 3/60000 160.0 1.461 1.461 0.779 0.000 -0.000 0.000 3/60000 170.0 1.359 1.359 0.730 0.000 -0.000 0.000 3/60000 180.0 1.271 1.271 0.687 0.000 -0.000 0.000 3/60000 190.0 1.195 1.195 0.649 0.000 -0.000 0.000 3/60000 200.0 1.127 1.127 0.615 0.000 -0.000 0.000 3/60000 210.0 1.067 1.067 0.585 0.000 -0.000 0.000 3/60000 220.0 1.014 1.014 0.558 0.000 -0.000 0.000 3/60000 230.0 0.966 0.966 0.533 0.000 -0.000 0.000 3/60000 240.0 0.922 0.922 0.510 0.000 -0.000 0.000 3/60000 250.0 0.882 0.882 0.489 0.000 -0.000 0.000 3/60000 260.0 0.846 0.846 0.470 0.000 -0.000 0.000 3/60000 270.0 0.813 0.813 0.453 0.000 -0.000 0.000 3/60000 280.0 0.782 0.782 0.436 0.000 -0.000 0.000 3/60000 290.0 0.754 0.754 0.421 0.000 -0.000 0.000 3/60000 300.0 0.728 0.728 0.407 0.000 -0.000 0.000 3/60000 310.0 0.703 0.703 0.394 0.000 -0.000 0.000 3/60000 320.0 0.680 0.680 0.382 0.000 -0.000 0.000 3/60000 330.0 0.659 0.659 0.370 0.000 -0.000 0.000 3/60000 340.0 0.639 0.639 0.359 0.000 -0.000 0.000 3/60000 350.0 0.620 0.620 0.349 0.000 -0.000 0.000 3/60000 360.0 0.603 0.603 0.339 0.000 -0.000 0.000 3/60000 370.0 0.586 0.586 0.330 0.000 -0.000 0.000 3/60000 380.0 0.570 0.570 0.321 0.000 -0.000 0.000 3/60000 390.0 0.555 0.555 0.313 0.000 -0.000 0.000 3/60000 400.0 0.541 0.541 0.305 0.000 -0.000 0.000 3/60000 410.0 0.528 0.528 0.298 0.000 -0.000 0.000 3/60000 420.0 0.515 0.515 0.291 0.000 -0.000 0.000 3/60000 430.0 0.503 0.503 0.284 0.000 -0.000 0.000 3/60000 440.0 0.491 0.491 0.278 0.000 -0.000 0.000 3/60000 450.0 0.480 0.480 0.271 0.000 -0.000 0.000 3/60000 460.0 0.469 0.469 0.266 0.000 -0.000 0.000 3/60000 470.0 0.459 0.459 0.260 0.000 -0.000 0.000 3/60000 480.0 0.450 0.450 0.255 0.000 -0.000 0.000 3/60000 490.0 0.440 0.440 0.249 0.000 -0.000 0.000 3/60000 500.0 0.431 0.431 0.244 0.000 -0.000 0.000 3/60000 510.0 0.423 0.423 0.240 0.000 -0.000 0.000 3/60000 520.0 0.415 0.415 0.235 0.000 -0.000 0.000 3/60000 530.0 0.407 0.407 0.231 0.000 -0.000 0.000 3/60000 540.0 0.399 0.399 0.226 0.000 -0.000 0.000 3/60000 550.0 0.392 0.392 0.222 0.000 -0.000 0.000 3/60000 560.0 0.385 0.385 0.218 0.000 -0.000 0.000 3/60000 570.0 0.378 0.378 0.214 0.000 -0.000 0.000 3/60000 580.0 0.371 0.371 0.211 0.000 -0.000 0.000 3/60000 590.0 0.365 0.365 0.207 0.000 -0.000 0.000 3/60000 600.0 0.359 0.359 0.204 0.000 -0.000 0.000 3/60000 610.0 0.353 0.353 0.200 0.000 -0.000 0.000 3/60000 620.0 0.347 0.347 0.197 0.000 -0.000 0.000 3/60000 630.0 0.342 0.342 0.194 0.000 -0.000 0.000 3/60000 640.0 0.336 0.336 0.191 0.000 -0.000 0.000 3/60000 650.0 0.331 0.331 0.188 0.000 -0.000 0.000 3/60000 660.0 0.326 0.326 0.185 0.000 -0.000 0.000 3/60000 670.0 0.321 0.321 0.183 0.000 -0.000 0.000 3/60000 680.0 0.316 0.316 0.180 0.000 -0.000 0.000 3/60000 690.0 0.312 0.312 0.177 0.000 -0.000 0.000 3/60000 700.0 0.307 0.307 0.175 0.000 -0.000 0.000 3/60000 710.0 0.303 0.303 0.172 0.000 -0.000 0.000 3/60000 720.0 0.299 0.299 0.170 0.000 -0.000 0.000 3/60000 730.0 0.295 0.295 0.168 0.000 -0.000 0.000 3/60000 740.0 0.291 0.291 0.165 0.000 -0.000 0.000 3/60000 750.0 0.287 0.287 0.163 0.000 -0.000 0.000 3/60000 760.0 0.283 0.283 0.161 0.000 -0.000 0.000 3/60000 770.0 0.279 0.279 0.159 0.000 -0.000 0.000 3/60000 780.0 0.276 0.276 0.157 0.000 -0.000 0.000 3/60000 790.0 0.272 0.272 0.155 0.000 -0.000 0.000 3/60000 800.0 0.269 0.269 0.153 0.000 -0.000 0.000 3/60000 810.0 0.266 0.266 0.151 0.000 -0.000 0.000 3/60000 820.0 0.262 0.262 0.149 0.000 -0.000 0.000 3/60000 830.0 0.259 0.259 0.147 0.000 -0.000 0.000 3/60000 840.0 0.256 0.256 0.146 0.000 -0.000 0.000 3/60000 850.0 0.253 0.253 0.144 0.000 -0.000 0.000 3/60000 860.0 0.250 0.250 0.142 0.000 -0.000 0.000 3/60000 870.0 0.247 0.247 0.141 0.000 -0.000 0.000 3/60000 880.0 0.244 0.244 0.139 0.000 -0.000 0.000 3/60000 890.0 0.242 0.242 0.138 0.000 -0.000 0.000 3/60000 900.0 0.239 0.239 0.136 0.000 -0.000 0.000 3/60000 910.0 0.236 0.236 0.135 0.000 -0.000 0.000 3/60000 920.0 0.234 0.234 0.133 0.000 -0.000 0.000 3/60000 930.0 0.231 0.231 0.132 0.000 -0.000 0.000 3/60000 940.0 0.229 0.229 0.130 0.000 -0.000 0.000 3/60000 950.0 0.226 0.226 0.129 0.000 -0.000 0.000 3/60000 960.0 0.224 0.224 0.128 0.000 -0.000 0.000 3/60000 970.0 0.222 0.222 0.126 0.000 -0.000 0.000 3/60000 980.0 0.219 0.219 0.125 0.000 -0.000 0.000 3/60000 990.0 0.217 0.217 0.124 0.000 -0.000 0.000 3/60000 1000.0 0.215 0.215 0.122 0.000 -0.000 0.000 3/60000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:52:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|