----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:19:48]------------------------- 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-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.674331063080827 2.698726297551139 3.613690669999996 b -4.674331063080817 2.698726297551139 3.613690669999996 c 0.000000000000005 -5.397452595102287 3.613690669999996 Atomic positions (fractional): *1 O 0.46349275932892 0.59341622693598 0.80757505747032 15.999 2 O 0.80757505747032 0.46349275932892 0.59341622693598 15.999 3 O 0.59341622693598 0.80757505747032 0.46349275932892 15.999 4 O 0.53650724067108 0.40658377306402 0.19242494252968 15.999 5 O 0.19242494252968 0.53650724067108 0.40658377306402 15.999 6 O 0.40658377306402 0.19242494252968 0.53650724067108 15.999 *7 O 0.91299397454227 0.06952563149631 0.30726181644530 15.999 8 O 0.30726181644530 0.91299397454227 0.06952563149631 15.999 9 O 0.93047436850369 0.69273818355470 0.08700602545773 15.999 10 O 0.69273818355470 0.08700602545773 0.93047436850369 15.999 11 O 0.08700602545773 0.93047436850369 0.69273818355470 15.999 12 O 0.06952563149631 0.30726181644530 0.91299397454227 15.999 *13 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *14 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 *15 Ho 0.93144875247049 0.74699308960278 0.43883577613855 164.930 16 Ho 0.43883577613855 0.93144875247049 0.74699308960278 164.930 17 Ho 0.74699308960278 0.43883577613855 0.93144875247049 164.930 18 Ho 0.06855124752952 0.25300691039722 0.56116422386145 164.930 19 Ho 0.56116422386145 0.06855124752952 0.25300691039722 164.930 20 Ho 0.25300691039722 0.56116422386145 0.06855124752951 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.348662126161646 0.000000000000000 0.000000000000000 b -4.674331063080823 8.096178892653427 0.000000000000000 c 0.000000000000000 0.000000000000000 10.841072010000000 Atomic positions (fractional): *1 O 0.84199807808385 0.81391962377476 0.62149468124508 15.999 > 1 2 O 0.18608037622525 0.02807845430909 0.62149468124508 15.999 > 2 3 O 0.97192154569091 0.15800192191615 0.62149468124508 15.999 > 3 4 O 0.15800192191615 0.18608037622525 0.37850531875492 15.999 > 4 5 O 0.81391962377476 0.97192154569091 0.37850531875492 15.999 > 5 6 O 0.02807845430909 0.84199807808385 0.37850531875492 15.999 > 6 *7 O 0.48306683371431 0.12266532438266 0.42992714082796 15.999 > 7 8 O 0.87733467561734 0.36040150933165 0.42992714082796 15.999 > 8 9 O 0.36040150933165 0.48306683371431 0.57007285917204 15.999 > 9 10 O 0.12266532438266 0.63959849066835 0.57007285917204 15.999 > 10 11 O 0.51693316628569 0.87733467561734 0.57007285917204 15.999 > 11 12 O 0.63959849066835 0.51693316628569 0.42992714082796 15.999 > 12 13 O 0.50866474475052 0.14725295710809 0.95482801457841 15.999 > 1 14 O 0.85274704289191 0.36141178764243 0.95482801457841 15.999 > 2 15 O 0.63858821235757 0.49133525524949 0.95482801457841 15.999 > 3 16 O 0.82466858858282 0.51941370955858 0.71183865208826 15.999 > 4 17 O 0.48058629044142 0.30525487902424 0.71183865208826 15.999 > 5 18 O 0.69474512097576 0.17533141141718 0.71183865208826 15.999 > 6 19 O 0.14973350038098 0.45599865771599 0.76326047416129 15.999 > 7 20 O 0.54400134228401 0.69373484266498 0.76326047416129 15.999 > 8 21 O 0.02706817599832 0.81640016704764 0.90340619250538 15.999 > 9 22 O 0.78933199104933 0.97293182400168 0.90340619250538 15.999 > 10 23 O 0.18359983295236 0.21066800895067 0.90340619250538 15.999 > 11 24 O 0.30626515733502 0.85026649961902 0.76326047416129 15.999 > 12 25 O 0.17533141141718 0.48058629044142 0.28816134791174 15.999 > 1 26 O 0.51941370955858 0.69474512097576 0.28816134791174 15.999 > 2 27 O 0.30525487902424 0.82466858858282 0.28816134791174 15.999 > 3 28 O 0.49133525524949 0.85274704289191 0.04517198542159 15.999 > 4 29 O 0.14725295710809 0.63858821235757 0.04517198542159 15.999 > 5 30 O 0.36141178764243 0.50866474475052 0.04517198542159 15.999 > 6 31 O 0.81640016704764 0.78933199104933 0.09659380749462 15.999 > 7 32 O 0.21066800895067 0.02706817599832 0.09659380749462 15.999 > 8 33 O 0.69373484266498 0.14973350038098 0.23673952583871 15.999 > 9 34 O 0.45599865771599 0.30626515733502 0.23673952583871 15.999 > 10 35 O 0.85026649961902 0.54400134228401 0.23673952583871 15.999 > 11 36 O 0.97293182400168 0.18359983295236 0.09659380749462 15.999 > 12 *37 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 13 *38 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 14 39 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 13 40 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 14 41 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 13 42 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 14 *43 Ho 0.22568954639988 0.26692342993205 0.70575920607061 164.930 > 15 44 Ho 0.73307657006795 0.95876611646782 0.70575920607061 164.930 > 16 45 Ho 0.04123388353218 0.77431045360012 0.70575920607061 164.930 > 17 46 Ho 0.77431045360012 0.73307657006795 0.29424079392939 164.930 > 18 47 Ho 0.26692342993205 0.04123388353218 0.29424079392939 164.930 > 19 48 Ho 0.95876611646782 0.22568954639988 0.29424079392939 164.930 > 20 49 Ho 0.89235621306655 0.60025676326539 0.03909253940394 164.930 > 15 50 Ho 0.39974323673461 0.29209944980116 0.03909253940394 164.930 > 16 51 Ho 0.70790055019884 0.10764378693345 0.03909253940394 164.930 > 17 52 Ho 0.44097712026679 0.06640990340128 0.62757412726273 164.930 > 18 53 Ho 0.93359009659872 0.37456721686551 0.62757412726273 164.930 > 19 54 Ho 0.62543278313449 0.55902287973321 0.62757412726273 164.930 > 20 55 Ho 0.55902287973321 0.93359009659872 0.37242587273727 164.930 > 15 56 Ho 0.06640990340128 0.62543278313449 0.37242587273727 164.930 > 16 57 Ho 0.37456721686551 0.44097712026679 0.37242587273727 164.930 > 17 58 Ho 0.10764378693345 0.39974323673461 0.96090746059606 164.930 > 18 59 Ho 0.60025676326539 0.70790055019884 0.96090746059606 164.930 > 19 60 Ho 0.29209944980116 0.89235621306655 0.96090746059606 164.930 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.348662126161646 0.000000000000000 0.000000000000000 b -4.674331063080823 8.096178892653427 0.000000000000000 c 0.000000000000000 0.000000000000000 10.841072010000000 Atomic positions (fractional): *1 O 0.84199807808385 0.81391962377476 0.62149468124508 15.999 > 1 2 O 0.18608037622525 0.02807845430909 0.62149468124508 15.999 > 2 3 O 0.97192154569091 0.15800192191615 0.62149468124508 15.999 > 3 4 O 0.15800192191615 0.18608037622525 0.37850531875492 15.999 > 4 5 O 0.81391962377476 0.97192154569091 0.37850531875492 15.999 > 5 6 O 0.02807845430909 0.84199807808385 0.37850531875492 15.999 > 6 *7 O 0.48306683371431 0.12266532438266 0.42992714082796 15.999 > 7 8 O 0.87733467561734 0.36040150933165 0.42992714082796 15.999 > 8 9 O 0.36040150933165 0.48306683371431 0.57007285917204 15.999 > 9 10 O 0.12266532438266 0.63959849066835 0.57007285917204 15.999 > 10 11 O 0.51693316628569 0.87733467561734 0.57007285917204 15.999 > 11 12 O 0.63959849066835 0.51693316628569 0.42992714082796 15.999 > 12 13 O 0.50866474475052 0.14725295710809 0.95482801457841 15.999 > 1 14 O 0.85274704289191 0.36141178764243 0.95482801457841 15.999 > 2 15 O 0.63858821235757 0.49133525524949 0.95482801457841 15.999 > 3 16 O 0.82466858858282 0.51941370955858 0.71183865208826 15.999 > 4 17 O 0.48058629044142 0.30525487902424 0.71183865208826 15.999 > 5 18 O 0.69474512097576 0.17533141141718 0.71183865208826 15.999 > 6 19 O 0.14973350038098 0.45599865771599 0.76326047416129 15.999 > 7 20 O 0.54400134228401 0.69373484266498 0.76326047416129 15.999 > 8 21 O 0.02706817599832 0.81640016704764 0.90340619250538 15.999 > 9 22 O 0.78933199104933 0.97293182400168 0.90340619250538 15.999 > 10 23 O 0.18359983295236 0.21066800895067 0.90340619250538 15.999 > 11 24 O 0.30626515733502 0.85026649961902 0.76326047416129 15.999 > 12 25 O 0.17533141141718 0.48058629044142 0.28816134791174 15.999 > 1 26 O 0.51941370955858 0.69474512097576 0.28816134791174 15.999 > 2 27 O 0.30525487902424 0.82466858858282 0.28816134791174 15.999 > 3 28 O 0.49133525524949 0.85274704289191 0.04517198542159 15.999 > 4 29 O 0.14725295710809 0.63858821235757 0.04517198542159 15.999 > 5 30 O 0.36141178764243 0.50866474475052 0.04517198542159 15.999 > 6 31 O 0.81640016704764 0.78933199104933 0.09659380749462 15.999 > 7 32 O 0.21066800895067 0.02706817599832 0.09659380749462 15.999 > 8 33 O 0.69373484266498 0.14973350038098 0.23673952583871 15.999 > 9 34 O 0.45599865771599 0.30626515733502 0.23673952583871 15.999 > 10 35 O 0.85026649961902 0.54400134228401 0.23673952583871 15.999 > 11 36 O 0.97293182400168 0.18359983295236 0.09659380749462 15.999 > 12 *37 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 13 *38 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 14 39 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 13 40 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 14 41 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 13 42 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 14 *43 Ho 0.22568954639988 0.26692342993205 0.70575920607061 164.930 > 15 44 Ho 0.73307657006795 0.95876611646782 0.70575920607061 164.930 > 16 45 Ho 0.04123388353218 0.77431045360012 0.70575920607061 164.930 > 17 46 Ho 0.77431045360012 0.73307657006795 0.29424079392939 164.930 > 18 47 Ho 0.26692342993205 0.04123388353218 0.29424079392939 164.930 > 19 48 Ho 0.95876611646782 0.22568954639988 0.29424079392939 164.930 > 20 49 Ho 0.89235621306655 0.60025676326539 0.03909253940394 164.930 > 15 50 Ho 0.39974323673461 0.29209944980116 0.03909253940394 164.930 > 16 51 Ho 0.70790055019884 0.10764378693345 0.03909253940394 164.930 > 17 52 Ho 0.44097712026679 0.06640990340128 0.62757412726273 164.930 > 18 53 Ho 0.93359009659872 0.37456721686551 0.62757412726273 164.930 > 19 54 Ho 0.62543278313449 0.55902287973321 0.62757412726273 164.930 > 20 55 Ho 0.55902287973321 0.93359009659872 0.37242587273727 164.930 > 15 56 Ho 0.06640990340128 0.62543278313449 0.37242587273727 164.930 > 16 57 Ho 0.37456721686551 0.44097712026679 0.37242587273727 164.930 > 17 58 Ho 0.10764378693345 0.39974323673461 0.96090746059606 164.930 > 18 59 Ho 0.60025676326539 0.70790055019884 0.96090746059606 164.930 > 19 60 Ho 0.29209944980116 0.89235621306655 0.96090746059606 164.930 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2299398 0.0000015 0.0000000 -0.0000015 4.2299398 0.0000000 0.0000000 0.0000000 4.1350485 -------------------------- Born effective charges -------------------------- 1 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 2 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 3 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 4 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 5 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 6 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 7 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 8 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 9 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 10 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 11 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 12 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 13 Sc 3.4132079 0.0233641 -0.0000000 -0.0233641 3.4132079 -0.0000000 -0.0000000 0.0000000 4.5960604 14 Sc 4.3099739 -0.1531543 -0.0000000 0.1531543 4.3099739 -0.0000000 -0.0000000 0.0000000 2.9292173 15 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 16 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 17 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 18 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 19 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 20 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 ---------------------------------------------------------------------------- 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: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 424 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 0.513 Solver_block: 200 / 400 - Time: 0.517 Solver_block: 300 / 400 - Time: 0.517 Solver_block: 400 / 400 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.083 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 424 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xy) 0.00000000 (xy) 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 00:20:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:20:00]------------------------- 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-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.674331063080827 2.698726297551139 3.613690669999996 b -4.674331063080817 2.698726297551139 3.613690669999996 c 0.000000000000005 -5.397452595102287 3.613690669999996 Atomic positions (fractional): 1 O 0.46349275932892 0.59341622693598 0.80757505747032 15.999 2 O 0.80757505747032 0.46349275932892 0.59341622693598 15.999 3 O 0.59341622693598 0.80757505747032 0.46349275932892 15.999 4 O 0.53650724067108 0.40658377306402 0.19242494252968 15.999 5 O 0.19242494252968 0.53650724067108 0.40658377306402 15.999 6 O 0.40658377306402 0.19242494252968 0.53650724067108 15.999 7 O 0.91299397454227 0.06952563149631 0.30726181644530 15.999 8 O 0.30726181644530 0.91299397454227 0.06952563149631 15.999 9 O 0.93047436850369 0.69273818355470 0.08700602545773 15.999 10 O 0.69273818355470 0.08700602545773 0.93047436850369 15.999 11 O 0.08700602545773 0.93047436850369 0.69273818355470 15.999 12 O 0.06952563149631 0.30726181644530 0.91299397454227 15.999 13 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 14 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 15 Ho 0.93144875247049 0.74699308960278 0.43883577613855 164.930 16 Ho 0.43883577613855 0.93144875247049 0.74699308960278 164.930 17 Ho 0.74699308960278 0.43883577613855 0.93144875247049 164.930 18 Ho 0.06855124752952 0.25300691039722 0.56116422386145 164.930 19 Ho 0.56116422386145 0.06855124752952 0.25300691039722 164.930 20 Ho 0.25300691039722 0.56116422386145 0.06855124752951 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.348662126161646 0.000000000000000 0.000000000000000 b -4.674331063080823 8.096178892653427 0.000000000000000 c 0.000000000000000 0.000000000000000 10.841072010000000 Atomic positions (fractional): 1 O 0.84199807808385 0.81391962377476 0.62149468124508 15.999 > 1 2 O 0.18608037622525 0.02807845430909 0.62149468124508 15.999 > 2 3 O 0.97192154569091 0.15800192191615 0.62149468124508 15.999 > 3 4 O 0.15800192191615 0.18608037622525 0.37850531875492 15.999 > 4 5 O 0.81391962377476 0.97192154569091 0.37850531875492 15.999 > 5 6 O 0.02807845430909 0.84199807808385 0.37850531875492 15.999 > 6 7 O 0.48306683371431 0.12266532438266 0.42992714082796 15.999 > 7 8 O 0.87733467561734 0.36040150933165 0.42992714082796 15.999 > 8 9 O 0.36040150933165 0.48306683371431 0.57007285917204 15.999 > 9 10 O 0.12266532438266 0.63959849066835 0.57007285917204 15.999 > 10 11 O 0.51693316628569 0.87733467561734 0.57007285917204 15.999 > 11 12 O 0.63959849066835 0.51693316628569 0.42992714082796 15.999 > 12 13 O 0.50866474475052 0.14725295710809 0.95482801457841 15.999 > 1 14 O 0.85274704289191 0.36141178764243 0.95482801457841 15.999 > 2 15 O 0.63858821235757 0.49133525524949 0.95482801457841 15.999 > 3 16 O 0.82466858858282 0.51941370955858 0.71183865208826 15.999 > 4 17 O 0.48058629044142 0.30525487902424 0.71183865208826 15.999 > 5 18 O 0.69474512097576 0.17533141141718 0.71183865208826 15.999 > 6 19 O 0.14973350038098 0.45599865771599 0.76326047416129 15.999 > 7 20 O 0.54400134228401 0.69373484266498 0.76326047416129 15.999 > 8 21 O 0.02706817599832 0.81640016704764 0.90340619250538 15.999 > 9 22 O 0.78933199104933 0.97293182400168 0.90340619250538 15.999 > 10 23 O 0.18359983295236 0.21066800895067 0.90340619250538 15.999 > 11 24 O 0.30626515733502 0.85026649961902 0.76326047416129 15.999 > 12 25 O 0.17533141141718 0.48058629044142 0.28816134791174 15.999 > 1 26 O 0.51941370955858 0.69474512097576 0.28816134791174 15.999 > 2 27 O 0.30525487902424 0.82466858858282 0.28816134791174 15.999 > 3 28 O 0.49133525524949 0.85274704289191 0.04517198542159 15.999 > 4 29 O 0.14725295710809 0.63858821235757 0.04517198542159 15.999 > 5 30 O 0.36141178764243 0.50866474475052 0.04517198542159 15.999 > 6 31 O 0.81640016704764 0.78933199104933 0.09659380749462 15.999 > 7 32 O 0.21066800895067 0.02706817599832 0.09659380749462 15.999 > 8 33 O 0.69373484266498 0.14973350038098 0.23673952583871 15.999 > 9 34 O 0.45599865771599 0.30626515733502 0.23673952583871 15.999 > 10 35 O 0.85026649961902 0.54400134228401 0.23673952583871 15.999 > 11 36 O 0.97293182400168 0.18359983295236 0.09659380749462 15.999 > 12 37 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 37 38 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 38 39 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 37 40 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 38 41 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 37 42 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 38 43 Ho 0.22568954639988 0.26692342993205 0.70575920607061 164.930 > 43 44 Ho 0.73307657006795 0.95876611646782 0.70575920607061 164.930 > 44 45 Ho 0.04123388353218 0.77431045360012 0.70575920607061 164.930 > 45 46 Ho 0.77431045360012 0.73307657006795 0.29424079392939 164.930 > 46 47 Ho 0.26692342993205 0.04123388353218 0.29424079392939 164.930 > 47 48 Ho 0.95876611646782 0.22568954639988 0.29424079392939 164.930 > 48 49 Ho 0.89235621306655 0.60025676326539 0.03909253940394 164.930 > 43 50 Ho 0.39974323673461 0.29209944980116 0.03909253940394 164.930 > 44 51 Ho 0.70790055019884 0.10764378693345 0.03909253940394 164.930 > 45 52 Ho 0.44097712026679 0.06640990340128 0.62757412726273 164.930 > 46 53 Ho 0.93359009659872 0.37456721686551 0.62757412726273 164.930 > 47 54 Ho 0.62543278313449 0.55902287973321 0.62757412726273 164.930 > 48 55 Ho 0.55902287973321 0.93359009659872 0.37242587273727 164.930 > 43 56 Ho 0.06640990340128 0.62543278313449 0.37242587273727 164.930 > 44 57 Ho 0.37456721686551 0.44097712026679 0.37242587273727 164.930 > 45 58 Ho 0.10764378693345 0.39974323673461 0.96090746059606 164.930 > 46 59 Ho 0.60025676326539 0.70790055019884 0.96090746059606 164.930 > 47 60 Ho 0.29209944980116 0.89235621306655 0.96090746059606 164.930 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2299398 0.0000015 0.0000000 -0.0000015 4.2299398 0.0000000 0.0000000 0.0000000 4.1350485 -------------------------- Born effective charges -------------------------- 1 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 2 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 3 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 4 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 5 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 6 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 7 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 8 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 9 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 10 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 11 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 12 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 13 Sc 3.4132079 0.0233641 -0.0000000 -0.0233641 3.4132079 -0.0000000 -0.0000000 0.0000000 4.5960604 14 Sc 4.3099739 -0.1531543 -0.0000000 0.1531543 4.3099739 -0.0000000 -0.0000000 0.0000000 2.9292173 15 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 16 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 17 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 18 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 19 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 20 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 38, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:20:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:20:08]------------------------- 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-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.674331063080827 2.698726297551139 3.613690669999996 b -4.674331063080817 2.698726297551139 3.613690669999996 c 0.000000000000005 -5.397452595102287 3.613690669999996 Atomic positions (fractional): 1 O 0.46349275932892 0.59341622693598 0.80757505747032 15.999 2 O 0.80757505747032 0.46349275932892 0.59341622693598 15.999 3 O 0.59341622693598 0.80757505747032 0.46349275932892 15.999 4 O 0.53650724067108 0.40658377306402 0.19242494252968 15.999 5 O 0.19242494252968 0.53650724067108 0.40658377306402 15.999 6 O 0.40658377306402 0.19242494252968 0.53650724067108 15.999 7 O 0.91299397454227 0.06952563149631 0.30726181644530 15.999 8 O 0.30726181644530 0.91299397454227 0.06952563149631 15.999 9 O 0.93047436850369 0.69273818355470 0.08700602545773 15.999 10 O 0.69273818355470 0.08700602545773 0.93047436850369 15.999 11 O 0.08700602545773 0.93047436850369 0.69273818355470 15.999 12 O 0.06952563149631 0.30726181644530 0.91299397454227 15.999 13 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 14 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 15 Ho 0.93144875247049 0.74699308960278 0.43883577613855 164.930 16 Ho 0.43883577613855 0.93144875247049 0.74699308960278 164.930 17 Ho 0.74699308960278 0.43883577613855 0.93144875247049 164.930 18 Ho 0.06855124752952 0.25300691039722 0.56116422386145 164.930 19 Ho 0.56116422386145 0.06855124752952 0.25300691039722 164.930 20 Ho 0.25300691039722 0.56116422386145 0.06855124752951 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.348662126161646 0.000000000000000 0.000000000000000 b -4.674331063080823 8.096178892653427 0.000000000000000 c 0.000000000000000 0.000000000000000 10.841072010000000 Atomic positions (fractional): 1 O 0.84199807808385 0.81391962377476 0.62149468124508 15.999 > 1 2 O 0.18608037622525 0.02807845430909 0.62149468124508 15.999 > 2 3 O 0.97192154569091 0.15800192191615 0.62149468124508 15.999 > 3 4 O 0.15800192191615 0.18608037622525 0.37850531875492 15.999 > 4 5 O 0.81391962377476 0.97192154569091 0.37850531875492 15.999 > 5 6 O 0.02807845430909 0.84199807808385 0.37850531875492 15.999 > 6 7 O 0.48306683371431 0.12266532438266 0.42992714082796 15.999 > 7 8 O 0.87733467561734 0.36040150933165 0.42992714082796 15.999 > 8 9 O 0.36040150933165 0.48306683371431 0.57007285917204 15.999 > 9 10 O 0.12266532438266 0.63959849066835 0.57007285917204 15.999 > 10 11 O 0.51693316628569 0.87733467561734 0.57007285917204 15.999 > 11 12 O 0.63959849066835 0.51693316628569 0.42992714082796 15.999 > 12 13 O 0.50866474475052 0.14725295710809 0.95482801457841 15.999 > 1 14 O 0.85274704289191 0.36141178764243 0.95482801457841 15.999 > 2 15 O 0.63858821235757 0.49133525524949 0.95482801457841 15.999 > 3 16 O 0.82466858858282 0.51941370955858 0.71183865208826 15.999 > 4 17 O 0.48058629044142 0.30525487902424 0.71183865208826 15.999 > 5 18 O 0.69474512097576 0.17533141141718 0.71183865208826 15.999 > 6 19 O 0.14973350038098 0.45599865771599 0.76326047416129 15.999 > 7 20 O 0.54400134228401 0.69373484266498 0.76326047416129 15.999 > 8 21 O 0.02706817599832 0.81640016704764 0.90340619250538 15.999 > 9 22 O 0.78933199104933 0.97293182400168 0.90340619250538 15.999 > 10 23 O 0.18359983295236 0.21066800895067 0.90340619250538 15.999 > 11 24 O 0.30626515733502 0.85026649961902 0.76326047416129 15.999 > 12 25 O 0.17533141141718 0.48058629044142 0.28816134791174 15.999 > 1 26 O 0.51941370955858 0.69474512097576 0.28816134791174 15.999 > 2 27 O 0.30525487902424 0.82466858858282 0.28816134791174 15.999 > 3 28 O 0.49133525524949 0.85274704289191 0.04517198542159 15.999 > 4 29 O 0.14725295710809 0.63858821235757 0.04517198542159 15.999 > 5 30 O 0.36141178764243 0.50866474475052 0.04517198542159 15.999 > 6 31 O 0.81640016704764 0.78933199104933 0.09659380749462 15.999 > 7 32 O 0.21066800895067 0.02706817599832 0.09659380749462 15.999 > 8 33 O 0.69373484266498 0.14973350038098 0.23673952583871 15.999 > 9 34 O 0.45599865771599 0.30626515733502 0.23673952583871 15.999 > 10 35 O 0.85026649961902 0.54400134228401 0.23673952583871 15.999 > 11 36 O 0.97293182400168 0.18359983295236 0.09659380749462 15.999 > 12 37 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 37 38 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 38 39 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 37 40 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 38 41 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 37 42 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 38 43 Ho 0.22568954639988 0.26692342993205 0.70575920607061 164.930 > 43 44 Ho 0.73307657006795 0.95876611646782 0.70575920607061 164.930 > 44 45 Ho 0.04123388353218 0.77431045360012 0.70575920607061 164.930 > 45 46 Ho 0.77431045360012 0.73307657006795 0.29424079392939 164.930 > 46 47 Ho 0.26692342993205 0.04123388353218 0.29424079392939 164.930 > 47 48 Ho 0.95876611646782 0.22568954639988 0.29424079392939 164.930 > 48 49 Ho 0.89235621306655 0.60025676326539 0.03909253940394 164.930 > 43 50 Ho 0.39974323673461 0.29209944980116 0.03909253940394 164.930 > 44 51 Ho 0.70790055019884 0.10764378693345 0.03909253940394 164.930 > 45 52 Ho 0.44097712026679 0.06640990340128 0.62757412726273 164.930 > 46 53 Ho 0.93359009659872 0.37456721686551 0.62757412726273 164.930 > 47 54 Ho 0.62543278313449 0.55902287973321 0.62757412726273 164.930 > 48 55 Ho 0.55902287973321 0.93359009659872 0.37242587273727 164.930 > 43 56 Ho 0.06640990340128 0.62543278313449 0.37242587273727 164.930 > 44 57 Ho 0.37456721686551 0.44097712026679 0.37242587273727 164.930 > 45 58 Ho 0.10764378693345 0.39974323673461 0.96090746059606 164.930 > 46 59 Ho 0.60025676326539 0.70790055019884 0.96090746059606 164.930 > 47 60 Ho 0.29209944980116 0.89235621306655 0.96090746059606 164.930 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2299398 0.0000015 0.0000000 -0.0000015 4.2299398 0.0000000 0.0000000 0.0000000 4.1350485 -------------------------- Born effective charges -------------------------- 1 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 2 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 3 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 4 O -2.6238698 -0.1249183 0.1884463 -0.1076041 -2.8474920 0.3541096 0.2015549 0.3995752 -1.9581315 5 O -2.8922716 -0.0473578 -0.4008910 -0.0300435 -2.5790902 -0.0138556 -0.4468197 -0.0252359 -1.9581315 6 O -2.6909013 0.1463047 0.2124448 0.1636190 -2.7804605 -0.3402541 0.2452648 -0.3743393 -1.9581315 7 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 8 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 9 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 10 O -2.3494067 -0.0740812 -0.3556372 -0.1124583 -2.1884192 -0.1316819 -0.2719821 -0.2271693 -2.8078807 11 O -2.1478921 -0.0038862 0.0637787 -0.0422634 -2.3899338 0.3738318 -0.0607434 0.3491281 -2.8078807 12 O -2.3094400 0.1355331 0.2918585 0.0971560 -2.2283859 -0.2421499 0.3327255 -0.1219587 -2.8078807 13 Sc 3.4132079 0.0233641 -0.0000000 -0.0233641 3.4132079 -0.0000000 -0.0000000 0.0000000 4.5960604 14 Sc 4.3099739 -0.1531543 -0.0000000 0.1531543 4.3099739 -0.0000000 -0.0000000 0.0000000 2.9292173 15 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 16 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 17 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 18 Ho 3.9104114 -0.0842606 -0.0742374 -0.1064611 3.5243823 -0.0053086 -0.0178124 -0.0873312 3.5117992 19 Ho 3.5383047 -0.1083748 0.0417161 -0.1305754 3.8964891 -0.0616371 0.0845372 0.0282396 3.5117992 20 Ho 3.7034745 0.2259362 0.0325213 0.2037357 3.7313193 0.0669457 -0.0667249 0.0590916 3.5117992 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) --------------------------- 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 ... [ 8 8 8 ] 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: 0.64, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.225 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 13.911 ( 0.000 0.000 0.000) 0.000 14.399 ( 0.000 0.000 0.000) 0.000 14.399 ( 0.000 0.000 0.000) 0.000 14.852 ( 0.000 0.000 0.000) 0.000 14.852 ( 0.000 0.000 0.000) 0.000 16.479 ( 0.000 0.000 0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 18.030 ( 0.000 0.000 0.000) 0.000 19.082 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 21.173 8.884 15.162) 27.516 0.598 ( 24.645 9.592 16.323) 31.078 1.072 ( 38.384 26.254 29.489) 55.065 2.493 ( -1.906 -2.019 0.282) 2.791 2.611 ( 3.115 2.868 10.159) 11.006 2.966 ( 1.419 0.324 -0.715) 1.621 3.408 ( -0.423 0.415 -1.201) 1.340 3.743 ( -6.541 -8.886 -5.438) 12.301 3.856 ( -6.673 1.820 -4.310) 8.150 3.857 ( -9.607 -1.522 4.085) 10.550 4.050 ( 3.297 -3.830 0.557) 5.084 4.198 ( 6.709 3.648 -4.795) 9.017 4.413 ( -3.394 -0.734 4.470) 5.661 4.625 ( -3.926 -2.854 -4.451) 6.585 4.780 ( 7.749 4.912 -0.543) 9.191 5.449 ( -5.738 -2.814 -2.477) 6.854 5.917 ( -6.872 -5.233 -4.275) 9.637 5.983 ( -2.656 -0.526 -1.474) 3.083 6.911 ( 2.653 1.518 2.578) 3.998 7.881 ( -2.937 0.295 0.943) 3.099 7.947 ( 3.724 -0.828 3.225) 4.995 8.091 ( -3.543 -0.495 -0.443) 3.605 8.170 ( 0.765 1.793 0.259) 1.966 8.276 ( -1.984 1.517 0.739) 2.605 8.349 ( 1.373 -1.759 -1.534) 2.708 8.410 ( 2.608 -2.685 5.708) 6.826 8.951 ( -5.733 -0.140 -2.498) 6.255 9.114 ( 3.416 -0.250 -0.925) 3.548 9.477 ( 6.555 3.585 -10.898) 13.213 9.997 ( -1.313 0.838 -1.796) 2.377 10.116 ( -5.596 -2.956 4.103) 7.542 10.353 ( -2.040 1.187 3.978) 4.625 10.406 ( 1.377 -4.428 -4.118) 6.201 10.565 ( 15.397 9.574 -20.706) 27.522 10.792 ( 3.714 2.441 -6.845) 8.162 10.915 ( -8.577 -2.905 -3.162) 9.592 10.994 ( -11.525 -1.355 -1.518) 11.703 11.331 ( -0.271 -14.054 0.603) 14.070 11.494 ( 1.297 -2.833 -1.888) 3.643 11.606 ( 4.136 8.956 2.246) 10.117 11.666 ( -0.471 0.915 7.300) 7.372 11.753 ( 13.665 11.367 -9.155) 19.994 12.146 ( -1.309 0.579 17.498) 17.556 12.225 ( -0.438 -4.081 3.189) 5.198 12.519 ( 1.259 0.480 3.067) 3.350 13.594 ( -6.844 -1.388 -8.433) 10.949 13.779 ( 2.923 -0.258 0.777) 3.036 13.902 ( 6.871 2.698 -3.573) 8.201 14.282 ( -4.929 -5.406 8.433) 11.164 14.383 ( -2.460 4.223 -2.730) 5.598 14.845 ( 2.505 -3.283 -1.922) 4.555 14.872 ( 0.800 3.880 -0.455) 3.988 16.215 ( 14.927 7.927 -22.478) 28.124 17.114 ( -14.991 -2.511 10.166) 18.286 17.189 ( -6.500 -9.894 6.095) 13.315 17.311 ( -1.417 5.104 1.211) 5.434 17.344 ( 4.594 -3.968 4.339) 7.462 18.075 ( 6.038 3.334 -3.620) 7.790 18.951 ( -7.620 -2.685 6.140) 10.148 19.156 ( 6.066 4.104 -0.217) 7.327 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 19.706 9.042 13.872) 25.740 1.176 ( 22.644 10.062 15.592) 29.276 2.088 ( 35.467 22.449 26.308) 49.537 2.432 ( -3.284 -4.659 -1.060) 5.798 2.799 ( -1.642 3.985 10.471) 11.324 2.992 ( 3.675 -0.732 1.818) 4.165 3.338 ( -4.144 -1.538 -4.674) 6.433 3.516 ( -7.765 -5.845 -4.620) 10.761 3.686 ( -8.699 0.774 -4.273) 9.723 3.855 ( -2.612 -0.590 7.498) 7.962 4.033 ( 1.661 -4.301 -2.729) 5.358 4.209 ( 2.753 -1.837 -3.944) 5.149 4.458 ( -0.903 -4.054 4.178) 5.891 4.483 ( -3.444 5.484 -6.117) 8.908 4.912 ( 8.088 2.974 -1.721) 8.787 5.219 ( -15.025 -6.154 -7.633) 17.941 5.702 ( -8.236 -6.124 -5.340) 11.570 5.923 ( -3.079 -1.135 -1.333) 3.542 6.998 ( 2.990 1.535 3.214) 4.651 7.843 ( -3.537 0.634 -0.127) 3.596 7.973 ( -3.291 -3.116 -1.658) 4.826 8.060 ( 1.804 0.739 0.804) 2.109 8.189 ( 0.156 -1.310 -0.111) 1.324 8.286 ( -1.041 3.842 2.698) 4.809 8.373 ( 4.391 0.682 -0.033) 4.444 8.505 ( 4.214 -3.931 6.472) 8.666 8.816 ( -4.306 -0.121 -6.564) 7.851 9.168 ( 2.128 0.788 2.947) 3.719 9.523 ( 10.929 5.623 -7.320) 14.306 9.916 ( -6.824 1.263 -4.101) 8.061 10.009 ( -4.939 -5.505 -1.002) 7.464 10.279 ( -1.783 -7.089 -8.083) 10.898 10.472 ( -0.466 2.099 7.861) 8.149 10.524 ( -11.963 -5.278 3.515) 13.540 10.611 ( -2.859 2.939 -9.857) 10.676 10.828 ( -3.773 2.634 -3.777) 5.953 10.996 ( 11.246 7.358 -5.123) 14.383 11.274 ( 0.153 -11.703 5.749) 13.039 11.461 ( 0.595 -2.845 -1.871) 3.457 11.699 ( 0.041 -0.781 3.693) 3.775 11.767 ( 3.981 6.312 -0.456) 7.476 11.841 ( 5.365 5.259 -6.258) 9.778 12.185 ( -3.598 -6.811 4.116) 8.734 12.388 ( 4.550 5.985 8.104) 11.055 12.649 ( 7.594 3.410 8.297) 11.753 13.406 ( -5.089 -1.018 -7.612) 9.213 13.834 ( 4.234 -0.403 0.310) 4.264 13.932 ( 0.122 -1.797 -0.120) 1.805 14.269 ( -0.983 -5.184 3.441) 6.299 14.340 ( -5.402 8.116 -3.332) 10.303 14.827 ( 3.565 -5.009 -2.625) 6.685 14.914 ( 1.001 5.331 -0.918) 5.502 16.223 ( 8.920 4.039 -11.829) 15.356 16.871 ( -15.425 -8.702 -1.331) 17.761 17.209 ( -2.077 -3.370 9.766) 10.537 17.342 ( -3.913 6.748 2.804) 8.289 17.472 ( 8.231 -3.392 6.938) 11.286 18.110 ( 4.633 2.527 -7.869) 9.475 18.911 ( -5.768 -1.088 5.194) 7.838 19.271 ( 5.761 4.363 0.054) 7.227 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 17.328 9.276 12.048) 23.053 1.701 ( 17.839 9.645 13.667) 24.455 2.283 ( -6.316 -7.332 -6.142) 11.462 2.639 ( -3.491 -5.156 -1.661) 6.445 2.978 ( 3.345 11.398 12.682) 17.377 3.152 ( 10.928 4.864 3.636) 12.502 3.266 ( 5.784 1.157 7.267) 9.360 3.392 ( -0.966 0.404 -0.033) 1.048 3.557 ( -3.994 -1.144 -1.103) 4.298 3.924 ( 1.500 -1.157 4.760) 5.123 3.995 ( 0.778 1.657 -3.630) 4.066 4.175 ( -0.201 -1.996 -1.526) 2.521 4.349 ( -3.296 -4.910 -1.081) 6.012 4.523 ( -2.158 3.703 -5.539) 7.003 4.812 ( -16.852 -4.668 -6.015) 18.492 4.965 ( 1.961 -5.221 -4.500) 7.166 5.558 ( -0.984 0.408 -1.785) 2.079 5.832 ( -5.407 -2.944 -2.352) 6.591 7.077 ( 1.934 0.773 2.748) 3.448 7.808 ( -1.919 1.185 -0.515) 2.313 7.879 ( -3.996 -0.597 -1.490) 4.307 8.065 ( 1.081 -3.586 -1.304) 3.965 8.156 ( -1.137 -1.684 -1.224) 2.372 8.375 ( 2.633 2.575 4.546) 5.851 8.453 ( 1.294 3.452 2.835) 4.650 8.590 ( 2.754 -3.445 4.230) 6.111 8.711 ( 0.362 0.879 -7.468) 7.528 9.258 ( 3.248 2.119 4.916) 6.262 9.672 ( 12.089 5.490 -2.697) 13.549 9.790 ( -3.490 0.343 -6.816) 7.665 9.846 ( -7.751 -6.078 -2.505) 10.163 10.137 ( -2.138 -3.195 -2.573) 4.626 10.261 ( -16.492 -6.448 -0.687) 17.720 10.511 ( -2.913 2.482 1.778) 4.220 10.592 ( 1.253 0.139 -0.963) 1.586 10.846 ( 1.241 4.883 1.483) 5.252 11.127 ( 8.859 5.510 -5.665) 11.872 11.273 ( 0.452 -7.548 6.080) 9.703 11.426 ( -0.364 -1.620 -1.356) 2.143 11.711 ( -1.142 -2.386 3.317) 4.242 11.796 ( 3.658 1.631 -7.994) 8.941 11.898 ( 2.341 2.993 0.934) 3.913 12.124 ( -5.075 -4.370 3.805) 7.703 12.515 ( 2.267 3.174 1.502) 4.179 12.924 ( 7.725 5.699 11.381) 14.889 13.278 ( -0.226 -0.614 -7.840) 7.867 13.875 ( -3.422 -4.326 0.150) 5.518 13.879 ( 2.418 -0.982 -0.616) 2.682 14.267 ( 0.474 -1.749 1.539) 2.377 14.300 ( -4.386 6.304 -1.691) 7.864 14.807 ( 2.404 -3.677 -1.614) 4.680 14.954 ( 1.004 3.748 -0.884) 3.980 16.247 ( 7.256 3.387 -7.464) 10.947 16.603 ( -12.599 -7.945 0.306) 14.898 17.265 ( 0.681 -2.100 4.428) 4.948 17.371 ( -3.481 5.517 2.256) 6.902 17.662 ( 7.742 -1.844 10.548) 13.214 18.044 ( -0.167 0.876 -11.067) 11.103 18.899 ( -2.992 -0.160 3.356) 4.499 19.363 ( 3.394 2.687 0.130) 4.331 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.000 0.000) 0.000 1.942 ( -0.000 -0.000 0.000) 0.000 2.121 ( -0.000 -0.000 -0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 -0.000 -0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.809 ( -0.000 -0.000 -0.000) 0.000 3.952 ( 0.000 -0.000 0.000) 0.000 4.000 ( -0.000 0.000 -0.000) 0.000 4.156 ( 0.000 -0.000 -0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 -0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 -0.000 0.000) 0.000 8.494 ( -0.000 0.000 0.000) 0.000 8.618 ( -0.000 -0.000 0.000) 0.000 8.671 ( 0.000 0.000 -0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.842 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 -0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 -0.000) 0.000 11.291 ( 0.000 -0.000 0.000) 0.000 11.406 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 -0.000 0.000) 0.000 11.762 ( 0.000 0.000 -0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 13.116 ( 0.000 -0.000 -0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 -0.000 0.000) 0.000 13.892 ( 0.000 0.000 0.000) 0.000 14.276 ( -0.000 -0.000 0.000) 0.000 14.284 ( 0.000 0.000 -0.000) 0.000 14.800 ( 0.000 0.000 0.000) 0.000 14.971 ( 0.000 0.000 0.000) 0.000 16.280 ( 0.000 -0.000 0.000) 0.000 16.470 ( 0.000 0.000 0.000) 0.000 17.288 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 17.858 ( -0.000 0.000 -0.000) 0.000 17.892 ( 0.000 0.000 0.000) 0.000 18.899 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 1.359 12.338 23.384) 26.475 0.822 ( -5.802 16.045 24.220) 29.626 1.500 ( 2.297 35.425 38.911) 52.671 2.534 ( -1.402 -5.969 6.021) 8.593 2.743 ( 2.226 5.861 11.789) 13.352 2.966 ( -1.196 2.899 0.407) 3.162 3.387 ( 0.502 -4.183 -1.890) 4.617 3.678 ( -2.914 -9.685 -4.107) 10.916 3.837 ( 9.146 -1.800 -6.040) 11.107 3.881 ( 1.332 -7.319 0.352) 7.448 3.979 ( -9.107 -2.398 -1.882) 9.604 4.181 ( 0.763 10.069 -4.940) 11.241 4.429 ( 1.929 -6.991 2.779) 7.766 4.649 ( -7.169 0.113 -3.845) 8.135 4.696 ( 5.743 5.241 -2.525) 8.175 5.432 ( 0.792 -5.031 -3.101) 5.963 5.874 ( -2.775 -6.259 -6.634) 9.534 5.918 ( 2.363 -4.410 -4.467) 6.707 6.956 ( -0.041 3.338 4.178) 5.348 7.908 ( 3.818 -4.241 1.937) 6.026 7.952 ( -5.383 -1.226 2.115) 5.912 8.122 ( 0.910 -1.288 0.013) 1.577 8.150 ( 4.926 0.959 -2.780) 5.737 8.244 ( -2.473 -0.940 1.040) 2.843 8.385 ( 1.252 -0.880 1.812) 2.372 8.454 ( -5.349 4.127 3.581) 7.646 8.963 ( 6.249 -6.042 -2.376) 9.011 9.041 ( -5.020 1.081 -2.989) 5.941 9.362 ( -0.045 11.085 -8.972) 14.261 10.002 ( 4.413 -1.747 -2.568) 5.396 10.070 ( -3.478 0.605 -5.555) 6.582 10.343 ( -4.175 -0.837 -5.059) 6.613 10.403 ( 2.716 9.895 -7.825) 12.904 10.474 ( 0.359 3.731 8.875) 9.634 10.664 ( 0.624 -0.124 -6.364) 6.396 10.925 ( -0.743 -7.170 -1.836) 7.438 11.029 ( 8.522 -7.017 1.749) 11.176 11.267 ( -12.510 -5.589 -6.310) 15.085 11.465 ( -0.475 -6.842 1.779) 7.085 11.591 ( 3.116 5.496 -1.840) 6.580 11.726 ( 1.779 8.187 3.900) 9.241 11.765 ( 0.313 7.055 5.115) 8.720 12.249 ( -4.202 -2.036 4.314) 6.356 12.322 ( 2.865 5.240 9.005) 10.806 12.560 ( -0.303 1.351 4.340) 4.555 13.512 ( 2.233 -9.513 -4.225) 10.646 13.783 ( -3.210 0.910 1.530) 3.670 13.878 ( 0.720 5.663 -1.097) 5.813 14.267 ( -0.779 -7.148 -1.607) 7.368 14.421 ( 2.951 4.699 -1.024) 5.642 14.783 ( -1.727 -3.862 -2.745) 5.043 14.900 ( 0.709 5.769 0.121) 5.814 16.062 ( -0.323 12.164 -7.598) 14.345 17.176 ( 6.004 -9.571 3.203) 11.744 17.234 ( -7.395 -11.637 1.636) 13.885 17.303 ( 1.583 -1.368 2.212) 3.045 17.450 ( -1.062 6.685 6.606) 9.458 18.014 ( 0.069 8.929 -7.728) 11.809 19.003 ( 1.194 -8.586 4.542) 9.786 19.163 ( 0.458 6.955 1.282) 7.087 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 6.985 10.550 23.128) 26.363 1.237 ( 10.562 15.188 20.255) 27.432 2.303 ( 14.477 27.986 30.670) 43.971 2.487 ( -7.460 -6.561 5.563) 11.386 2.956 ( 2.679 0.591 1.016) 2.926 3.008 ( 0.038 6.268 13.009) 14.440 3.278 ( -2.583 -8.273 -4.922) 9.967 3.530 ( -4.783 -6.170 -2.143) 8.096 3.754 ( -8.853 -1.449 -3.171) 9.515 3.838 ( 6.660 -3.474 -7.947) 10.935 3.925 ( 2.131 -2.458 2.092) 3.868 4.186 ( -0.286 2.187 -1.414) 2.620 4.434 ( -1.796 -5.794 -1.152) 6.175 4.504 ( -1.588 4.567 -4.486) 6.596 4.796 ( 7.113 1.692 -2.906) 7.868 5.280 ( -10.496 -5.405 -5.973) 13.231 5.666 ( -5.937 -7.745 -6.832) 11.912 5.869 ( 2.568 -4.337 -4.243) 6.589 7.039 ( 0.651 3.867 3.804) 5.463 7.862 ( -3.805 -4.105 -1.876) 5.903 7.927 ( 3.562 -7.814 -0.676) 8.614 8.078 ( -4.110 2.541 -1.303) 5.005 8.206 ( 1.383 -1.453 -0.267) 2.024 8.288 ( 5.640 4.573 1.384) 7.392 8.391 ( -3.518 3.432 2.703) 5.609 8.495 ( 2.645 -1.457 4.714) 5.598 8.820 ( -7.329 -2.435 -5.477) 9.468 9.094 ( 9.366 -2.104 0.120) 9.600 9.412 ( 4.554 11.719 -4.943) 13.509 9.943 ( -1.495 -4.343 -8.835) 9.957 9.967 ( -3.156 -1.238 -3.341) 4.760 10.187 ( -5.140 -3.070 -4.001) 7.201 10.459 ( 6.349 11.103 -8.908) 15.587 10.555 ( -2.963 -9.700 -2.906) 10.551 10.625 ( 1.707 -3.426 8.187) 9.037 10.893 ( 2.331 4.957 -4.656) 7.189 10.964 ( -11.087 1.925 0.301) 11.257 11.170 ( 7.600 -10.984 4.161) 13.990 11.422 ( -0.634 -6.443 2.228) 6.847 11.619 ( 4.227 2.579 -6.784) 8.399 11.803 ( -2.699 0.536 2.746) 3.887 11.884 ( 0.029 10.032 2.422) 10.321 12.235 ( -2.543 -3.868 6.521) 7.997 12.514 ( -0.080 6.242 7.374) 9.661 12.682 ( 7.117 6.413 7.904) 12.419 13.389 ( -4.305 -5.807 -3.159) 7.888 13.788 ( 1.296 -0.492 1.414) 1.980 13.902 ( 1.027 -3.612 -0.299) 3.767 14.218 ( 2.202 -1.992 -2.043) 3.604 14.433 ( -3.184 7.806 -5.162) 9.885 14.733 ( 2.554 -5.649 0.722) 6.242 14.952 ( -0.679 7.867 -0.623) 7.921 16.088 ( 3.356 6.252 -5.206) 8.801 16.988 ( -14.301 -11.077 -0.035) 18.089 17.217 ( 3.691 -6.192 2.876) 7.761 17.360 ( 4.513 -1.850 1.204) 5.024 17.571 ( -1.396 5.798 9.800) 11.472 18.005 ( 1.991 8.542 -9.490) 12.922 18.982 ( -1.855 -6.562 3.366) 7.604 19.268 ( 3.150 7.378 1.572) 8.175 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 7.969 11.891 18.858) 23.676 1.740 ( 14.640 12.438 17.016) 25.662 2.320 ( -12.852 -7.628 0.561) 14.956 2.682 ( -7.701 -4.836 1.065) 9.155 3.055 ( 3.762 -5.792 -3.840) 7.902 3.188 ( -3.190 6.847 7.566) 10.691 3.310 ( 14.613 15.279 17.925) 27.718 3.397 ( -2.259 -7.722 -1.503) 8.185 3.619 ( -6.852 3.311 -1.926) 7.850 3.865 ( 7.143 2.469 -1.967) 7.809 3.962 ( 3.085 -3.062 1.598) 4.631 4.192 ( -1.265 -1.259 3.093) 3.571 4.301 ( -1.744 -4.290 -5.583) 7.254 4.518 ( -2.321 4.728 -5.882) 7.896 4.788 ( 0.382 -7.762 -6.139) 9.904 4.990 ( -13.524 -0.540 -3.680) 14.026 5.514 ( 1.118 -3.316 -3.483) 4.937 5.801 ( -0.805 -5.371 -4.008) 6.749 7.106 ( 0.271 3.282 1.447) 3.597 7.766 ( -0.303 -5.693 -2.877) 6.386 7.878 ( 1.229 -6.461 -1.850) 6.832 8.046 ( -2.363 4.109 -0.699) 4.792 8.181 ( -2.272 -0.920 -0.338) 2.474 8.395 ( 2.559 2.056 0.639) 3.344 8.464 ( 4.513 4.469 2.971) 7.012 8.590 ( 4.505 -2.551 5.544) 7.585 8.659 ( -6.166 -0.615 -4.944) 7.927 9.232 ( 9.414 1.704 2.697) 9.940 9.528 ( 8.789 7.041 -3.922) 11.925 9.741 ( -5.758 -3.116 -10.758) 12.594 9.864 ( -3.333 -1.644 -3.666) 5.220 10.101 ( -0.855 -2.507 -1.151) 2.888 10.366 ( -8.798 -11.094 -0.842) 14.184 10.516 ( 4.996 6.711 -6.354) 10.505 10.601 ( -8.018 -2.223 2.531) 8.696 10.935 ( -0.379 2.643 -1.050) 2.869 10.967 ( 10.186 3.113 -2.076) 10.851 11.241 ( 2.774 -7.755 7.312) 11.013 11.410 ( 0.355 -3.486 2.767) 4.465 11.616 ( 5.949 1.673 -6.933) 9.287 11.751 ( -3.105 -3.413 -1.144) 4.754 11.965 ( -1.753 8.105 1.463) 8.421 12.247 ( -5.777 -2.973 8.246) 10.499 12.593 ( -2.443 4.558 4.349) 6.757 12.981 ( 10.977 8.441 8.126) 16.056 13.259 ( -6.989 -2.084 -0.503) 7.311 13.821 ( 1.924 -2.894 -0.773) 3.560 13.848 ( 0.636 -7.624 0.983) 7.713 14.231 ( 2.425 2.270 -3.222) 4.628 14.358 ( -3.730 3.672 -5.544) 7.625 14.777 ( 2.981 -2.771 5.044) 6.482 14.984 ( -1.936 8.286 -1.699) 8.677 16.130 ( 5.057 3.951 -3.506) 7.313 16.733 ( -13.303 -7.862 2.039) 15.587 17.241 ( 2.916 -5.905 1.681) 6.797 17.380 ( 1.845 -1.420 -3.687) 4.360 17.750 ( 2.929 4.094 12.539) 13.512 17.961 ( -1.324 7.441 -9.743) 12.330 18.935 ( -2.102 -5.525 1.222) 6.036 19.373 ( 1.830 5.807 1.400) 6.248 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -1.252 6.715 5.639) 8.858 2.032 ( -16.559 -6.699 -0.540) 17.871 2.160 ( 6.556 8.158 10.390) 14.747 2.519 ( -3.935 -1.722 4.364) 6.124 2.922 ( 2.282 -11.260 -6.995) 13.451 3.229 ( -1.077 3.707 -3.017) 4.899 3.323 ( -0.719 -4.463 2.760) 5.297 3.549 ( -3.727 3.196 -1.284) 5.075 3.809 ( 6.873 3.529 3.614) 8.529 3.952 ( 2.190 2.446 1.995) 3.842 4.055 ( -19.697 -8.322 -10.875) 23.990 4.124 ( 10.314 2.788 6.916) 12.727 4.215 ( 1.700 3.762 3.451) 5.381 4.332 ( -2.473 3.699 0.076) 4.450 4.650 ( 0.593 -10.389 -6.537) 12.288 4.956 ( 0.598 8.913 3.438) 9.572 5.554 ( 5.387 -1.896 0.070) 5.711 5.691 ( -0.300 -4.269 -2.749) 5.087 7.120 ( -0.945 2.264 -2.114) 3.239 7.707 ( 2.916 -6.667 -1.763) 7.487 7.853 ( 1.265 -1.620 0.549) 2.127 8.065 ( -0.052 5.374 0.067) 5.375 8.152 ( -0.461 0.202 -0.219) 0.548 8.412 ( 0.488 -2.729 -0.338) 2.793 8.520 ( -5.484 -0.824 -5.003) 7.469 8.580 ( 3.424 4.464 0.232) 5.630 8.695 ( 3.335 -2.577 6.571) 7.807 9.355 ( -2.844 1.274 -3.781) 4.900 9.571 ( 9.749 -0.980 -0.464) 9.809 9.696 ( 7.926 3.892 -3.195) 9.390 9.795 ( 1.242 2.097 -3.781) 4.499 10.082 ( 1.287 -2.657 1.015) 3.122 10.167 ( -10.654 -6.641 2.993) 12.906 10.514 ( -4.400 -1.227 -0.503) 4.596 10.547 ( 3.543 3.257 -5.159) 7.055 10.915 ( -1.276 -2.476 -0.219) 2.794 11.102 ( 10.298 2.744 -3.885) 11.343 11.280 ( -0.553 -7.000 6.549) 9.602 11.427 ( -0.939 -2.337 3.243) 4.106 11.652 ( 4.767 4.709 -6.483) 9.324 11.702 ( 4.325 -2.194 -0.046) 4.850 11.994 ( -3.492 6.035 0.026) 6.973 12.214 ( -8.951 -1.506 6.447) 11.134 12.625 ( -4.853 2.705 4.326) 7.041 13.086 ( -3.722 -2.157 -6.414) 7.723 13.290 ( 1.071 5.598 11.060) 12.442 13.758 ( 2.417 -6.947 -1.286) 7.467 13.879 ( 2.463 -1.973 2.061) 3.769 14.207 ( 1.280 4.892 -9.399) 10.673 14.306 ( -1.247 -2.051 1.215) 2.690 14.858 ( 0.376 -1.579 7.077) 7.261 14.990 ( -2.790 7.156 -2.188) 7.986 16.219 ( 7.885 3.765 -0.685) 8.764 16.580 ( -9.637 -2.942 5.632) 11.543 17.245 ( 2.835 -5.721 0.234) 6.389 17.302 ( 0.616 -3.623 -8.780) 9.518 17.862 ( -5.932 6.903 -8.267) 12.296 17.977 ( 4.104 3.626 12.128) 13.307 18.869 ( -0.927 -5.233 -1.806) 5.613 19.429 ( -1.128 3.226 1.090) 3.587 ======================= Grid point 14 (10/90) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -23.341 -5.009 -4.827) 24.355 1.747 ( -18.760 -6.994 -9.120) 22.001 2.392 ( -0.075 6.025 10.397) 12.017 2.679 ( 4.808 4.800 3.723) 7.747 2.844 ( 0.607 -3.542 -2.149) 4.187 3.198 ( 1.824 -3.821 -4.583) 6.240 3.253 ( -18.751 -5.089 -6.256) 20.411 3.450 ( -11.951 0.260 -3.768) 12.533 3.528 ( 0.820 -1.145 0.959) 1.704 3.818 ( 1.514 -5.145 -7.936) 9.578 4.021 ( 1.655 2.383 0.096) 2.903 4.272 ( -2.038 3.630 6.714) 7.900 4.303 ( 7.589 4.332 -0.968) 8.792 4.485 ( -0.385 -11.565 -2.213) 11.781 4.725 ( 18.686 11.071 11.992) 24.810 5.082 ( -1.433 7.149 2.790) 7.807 5.527 ( 2.338 -3.711 0.223) 4.392 5.758 ( 8.658 -0.478 0.138) 8.672 7.077 ( -2.162 1.188 -3.376) 4.181 7.707 ( 5.245 -4.816 -0.136) 7.122 7.900 ( 2.075 1.816 3.553) 4.498 8.106 ( -0.261 4.145 -0.512) 4.185 8.170 ( 2.447 1.043 -0.766) 2.768 8.350 ( -4.920 -2.497 -2.542) 6.074 8.410 ( -0.788 -1.765 -2.663) 3.290 8.606 ( -1.907 3.491 -3.358) 5.206 8.779 ( 1.134 -4.424 7.454) 8.742 9.198 ( -2.667 -2.476 -7.570) 8.399 9.736 ( 1.386 -3.979 3.050) 5.201 9.765 ( 5.081 1.346 -0.672) 5.299 9.867 ( 7.913 9.357 0.135) 12.255 10.104 ( 1.792 0.851 0.729) 2.114 10.171 ( 8.230 -0.408 8.255) 11.664 10.450 ( -1.321 -0.967 -2.573) 3.050 10.534 ( 1.788 1.207 -6.095) 6.466 10.880 ( -0.882 -5.748 3.185) 6.630 11.191 ( 5.883 3.777 -3.035) 7.622 11.257 ( -5.573 -7.695 5.415) 10.936 11.421 ( 1.776 -2.311 -0.374) 2.939 11.665 ( 1.195 5.516 -3.984) 6.909 11.822 ( 9.147 2.585 0.868) 9.544 11.956 ( -6.811 3.272 -1.546) 7.713 12.149 ( -6.685 -1.741 3.664) 7.820 12.593 ( -8.782 0.408 3.146) 9.338 12.892 ( -9.150 -2.957 -7.493) 12.190 13.396 ( -3.366 -0.037 7.274) 8.015 13.800 ( 9.108 -1.984 -0.325) 9.327 13.904 ( -0.053 -1.491 1.036) 1.816 14.159 ( 2.630 2.781 -8.150) 9.005 14.310 ( -0.165 -0.859 3.734) 3.835 14.911 ( -0.896 -3.943 5.710) 6.997 14.972 ( -4.597 6.836 -1.172) 8.321 16.374 ( 5.699 1.614 6.358) 8.689 16.570 ( -1.330 3.721 5.986) 7.173 17.145 ( 1.199 -3.332 -14.418) 14.846 17.246 ( 3.421 -6.666 0.325) 7.500 17.726 ( -9.328 6.169 -6.040) 12.710 18.167 ( 1.167 2.529 9.441) 9.844 18.797 ( 1.653 -4.510 -4.176) 6.365 19.417 ( -4.438 0.684 0.881) 4.576 ======================= Grid point 15 (11/90) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -26.038 -4.804 -5.538) 27.050 1.285 ( -25.601 -4.993 -9.068) 27.615 2.338 ( -48.182 -8.562 -9.709) 49.891 2.490 ( -2.221 0.390 6.480) 6.862 2.667 ( -1.015 0.383 -9.890) 9.950 3.027 ( -1.103 1.243 0.027) 1.662 3.315 ( 7.779 0.465 5.509) 9.544 3.529 ( 7.381 6.248 4.902) 10.842 3.604 ( 7.631 -3.881 4.592) 9.715 3.694 ( 2.051 -2.956 -10.402) 11.006 4.058 ( 1.487 4.046 -1.538) 4.577 4.296 ( 1.357 2.713 -4.156) 5.146 4.382 ( -0.011 -9.842 0.693) 9.866 4.485 ( 5.092 5.665 6.336) 9.908 4.999 ( -5.699 -1.256 -0.625) 5.869 5.171 ( 11.834 4.968 8.028) 15.139 5.655 ( 10.916 4.162 2.350) 11.916 5.844 ( 7.225 -2.569 -1.233) 7.767 7.013 ( -3.501 0.231 -1.848) 3.965 7.764 ( 5.803 -1.600 1.026) 6.106 8.008 ( 2.474 3.968 4.246) 6.316 8.070 ( -3.517 -1.504 -2.653) 4.655 8.191 ( 2.530 0.107 -1.744) 3.075 8.253 ( -4.169 -0.709 -0.132) 4.231 8.383 ( 0.253 -0.822 -1.211) 1.485 8.517 ( -5.178 1.883 -6.090) 8.212 8.844 ( 2.005 -3.175 6.190) 7.240 9.112 ( 1.305 -1.240 -4.096) 4.474 9.703 ( -7.136 -2.132 4.622) 8.765 9.837 ( 7.646 0.231 0.882) 7.700 10.019 ( 1.509 4.451 1.015) 4.808 10.256 ( 18.573 4.411 -3.185) 19.354 10.355 ( 2.072 -2.246 -0.406) 3.083 10.413 ( -0.474 2.957 0.583) 3.051 10.570 ( 10.278 3.514 4.378) 11.711 10.883 ( 2.162 -8.043 4.688) 9.557 11.138 ( -10.177 -5.827 2.446) 11.979 11.274 ( 3.150 7.050 0.585) 7.744 11.449 ( 4.282 -1.423 0.639) 4.557 11.639 ( -0.112 3.469 -10.406) 10.970 11.830 ( -10.516 -1.415 0.664) 10.631 11.953 ( 1.797 0.081 5.085) 5.394 12.119 ( 2.316 -0.194 -1.624) 2.835 12.438 ( -15.938 -0.818 -2.503) 16.154 12.666 ( -9.279 -1.726 -4.551) 10.478 13.446 ( 1.675 -0.681 5.969) 6.237 13.856 ( -0.651 -1.888 -1.723) 2.637 13.919 ( 5.300 0.235 -0.102) 5.306 14.134 ( 3.497 -0.163 -4.866) 5.995 14.371 ( -0.016 1.738 5.199) 5.482 14.892 ( -0.484 -3.713 -1.102) 3.903 14.962 ( -5.727 4.072 3.235) 7.736 16.495 ( -6.745 -0.719 15.774) 17.171 16.749 ( 13.107 6.294 1.809) 14.652 16.974 ( 5.103 -2.135 -17.256) 18.121 17.249 ( 2.633 -4.673 0.847) 5.430 17.574 ( -10.143 4.105 -4.437) 11.807 18.238 ( -4.262 0.198 4.161) 5.959 18.771 ( 5.064 -1.956 -2.933) 6.170 19.348 ( -7.076 -0.703 0.893) 7.166 ======================= Grid point 16 (12/90) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -27.687 -3.694 -3.814) 28.191 0.833 ( -30.491 4.514 -1.589) 30.864 1.530 ( -55.647 -0.639 2.507) 55.708 2.528 ( -0.899 -0.070 -6.706) 6.766 2.549 ( -2.761 0.017 6.849) 7.384 2.997 ( -2.609 -0.030 -0.713) 2.704 3.429 ( -0.644 0.284 1.852) 1.981 3.654 ( 11.045 0.137 -7.505) 13.354 3.745 ( 8.340 -5.652 6.205) 11.832 3.765 ( 10.776 5.508 3.442) 12.582 4.059 ( -1.364 0.733 -2.939) 3.322 4.276 ( 4.328 -3.962 -4.477) 7.381 4.352 ( -3.321 2.478 3.221) 5.249 4.623 ( 3.648 1.139 0.899) 3.926 4.866 ( -8.546 -0.561 -0.200) 8.566 5.390 ( 8.658 -0.100 0.931) 8.709 5.839 ( 10.853 0.579 -1.652) 10.994 5.920 ( 6.792 -0.492 1.127) 6.903 6.947 ( -4.650 -0.011 -0.034) 4.650 7.845 ( 3.622 0.518 2.083) 4.211 7.956 ( -3.324 -0.697 -2.946) 4.496 8.100 ( 0.012 0.302 1.169) 1.207 8.195 ( -0.869 -0.353 -0.869) 1.278 8.244 ( 0.915 1.577 4.014) 4.409 8.358 ( -0.104 -3.327 0.166) 3.333 8.396 ( -3.595 2.130 -5.612) 6.997 8.926 ( 4.110 -1.199 2.496) 4.956 9.100 ( 1.611 0.742 -1.499) 2.322 9.633 ( -7.331 0.156 -0.642) 7.361 9.968 ( 7.896 0.312 2.931) 8.429 10.038 ( 0.006 -0.420 -1.216) 1.286 10.310 ( 0.327 0.306 0.345) 0.565 10.403 ( 3.207 0.691 -3.526) 4.816 10.577 ( 20.849 -0.546 0.627) 20.866 10.817 ( 0.080 3.295 5.435) 6.356 10.925 ( 8.073 -7.190 2.805) 11.168 11.003 ( -5.171 1.531 2.002) 5.752 11.364 ( 0.911 9.092 -14.890) 17.470 11.451 ( 1.644 -6.176 -8.197) 10.395 11.539 ( 2.973 -0.903 8.874) 9.402 11.719 ( -10.410 0.320 4.133) 11.205 11.977 ( -4.084 -0.984 3.993) 5.796 12.130 ( -22.239 1.550 -0.937) 22.313 12.162 ( 5.536 -0.511 -3.034) 6.334 12.535 ( -4.900 -0.240 -0.427) 4.925 13.562 ( 7.707 -0.293 1.695) 7.896 13.800 ( -2.816 0.296 -1.247) 3.094 13.962 ( 2.431 -0.023 -3.297) 4.096 14.148 ( 2.483 -0.180 2.003) 3.195 14.424 ( -1.529 0.266 3.264) 3.614 14.847 ( 0.458 -0.257 -3.287) 3.329 14.934 ( -5.365 0.191 1.856) 5.680 16.530 ( -4.626 -0.075 -2.420) 5.221 16.884 ( 1.784 0.269 4.236) 4.605 17.011 ( 17.732 0.271 -2.239) 17.874 17.268 ( 1.135 -0.814 2.227) 2.629 17.422 ( -8.291 0.383 -3.105) 8.862 18.173 ( -7.104 -0.131 -0.317) 7.113 18.832 ( 5.750 0.080 1.697) 5.996 19.249 ( -8.180 0.022 0.615) 8.203 ======================= Grid point 18 (13/90) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -8.520 12.611 19.310) 24.587 1.329 ( -10.258 15.813 21.218) 28.381 2.285 ( -15.202 29.062 33.316) 46.751 2.534 ( 6.812 -4.203 5.194) 9.542 2.846 ( -0.234 -1.838 5.614) 5.912 3.066 ( -0.145 3.799 5.461) 6.654 3.298 ( 0.695 -6.695 -1.110) 6.821 3.560 ( 10.523 -3.202 -4.678) 11.953 3.597 ( 0.005 -8.589 -3.172) 9.156 3.897 ( -1.841 -3.690 3.973) 5.726 4.009 ( -3.653 -1.236 -6.971) 7.967 4.149 ( 0.526 5.750 -8.256) 10.075 4.366 ( 1.425 -4.415 -0.805) 4.708 4.589 ( 6.007 0.763 0.434) 6.071 4.798 ( -11.986 5.089 -2.724) 13.304 5.239 ( 12.176 -8.896 -5.892) 16.190 5.697 ( 6.741 -5.956 -7.890) 11.965 5.852 ( -3.189 -5.255 -3.708) 7.179 7.041 ( -0.755 4.008 3.683) 5.495 7.829 ( 2.304 -6.605 -0.345) 7.004 7.937 ( 1.433 -5.877 -4.483) 7.530 8.104 ( -0.386 3.364 3.616) 4.954 8.187 ( -2.550 2.175 -0.682) 3.421 8.267 ( -0.893 -0.770 1.680) 2.053 8.391 ( -0.698 3.002 0.575) 3.135 8.601 ( -3.114 4.730 4.116) 7.001 8.761 ( 7.194 -5.907 -4.885) 10.512 9.108 ( -7.813 -1.778 -0.689) 8.043 9.415 ( -5.110 12.701 -5.620) 14.799 9.843 ( 3.389 -6.646 -6.205) 9.703 10.060 ( 3.054 0.275 -2.571) 4.002 10.289 ( 5.451 2.217 -7.358) 9.422 10.354 ( -4.830 3.349 -6.461) 8.734 10.530 ( -1.226 -14.142 -2.185) 14.363 10.607 ( 2.366 -2.050 3.843) 4.956 10.876 ( -2.292 5.798 -6.623) 9.096 10.910 ( 7.898 -2.233 10.716) 13.498 11.326 ( -10.020 -2.141 -7.276) 12.567 11.424 ( 1.810 -5.137 2.106) 5.840 11.616 ( -4.059 1.219 -2.330) 4.836 11.813 ( 0.991 5.930 3.435) 6.924 11.850 ( 1.934 6.319 3.518) 7.487 12.309 ( 2.596 -5.730 5.159) 8.136 12.450 ( -0.082 7.915 7.736) 11.068 12.681 ( -6.552 5.794 5.877) 10.538 13.352 ( 4.540 -6.950 -2.694) 8.728 13.847 ( -1.437 0.450 1.176) 1.911 13.912 ( -2.853 -0.201 0.061) 2.861 14.193 ( -1.344 -5.349 -4.434) 7.077 14.396 ( 5.042 5.586 0.210) 7.528 14.758 ( -3.912 -4.172 -3.243) 6.574 14.944 ( 1.435 8.103 0.951) 8.284 16.095 ( -3.704 6.875 -5.738) 9.690 16.978 ( 12.753 -9.721 -0.196) 16.037 17.273 ( -4.658 -9.609 4.293) 11.509 17.302 ( 0.094 -1.976 2.725) 3.367 17.612 ( -1.559 9.722 7.590) 12.432 17.996 ( -1.666 7.972 -10.471) 13.266 18.957 ( 2.585 -8.373 4.366) 9.791 19.257 ( -2.704 6.890 1.925) 7.648 ======================= Grid point 19 (14/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 2.324 11.615 21.322) 24.391 1.601 ( -4.507 16.437 21.339) 27.310 2.603 ( -4.292 -7.788 9.592) 13.080 2.715 ( 0.252 13.872 14.098) 19.780 2.982 ( 6.621 11.770 14.192) 19.591 3.046 ( -2.186 -9.649 -4.152) 10.730 3.311 ( 0.701 -0.052 6.387) 6.426 3.473 ( -3.978 -6.510 -3.422) 8.362 3.619 ( 7.692 -3.279 -3.113) 8.923 3.811 ( -6.634 -4.190 -3.741) 8.692 3.913 ( 1.536 0.682 -0.564) 1.772 4.132 ( 4.463 1.423 -4.360) 6.400 4.400 ( 3.451 1.551 -0.443) 3.809 4.537 ( -8.958 0.598 -5.327) 10.439 4.728 ( 0.404 2.189 -0.455) 2.272 5.221 ( 2.557 -6.634 -5.931) 9.259 5.594 ( -2.069 -7.885 -7.378) 10.995 5.738 ( 1.411 -4.510 -3.950) 6.159 7.102 ( 0.094 4.149 1.327) 4.357 7.777 ( 1.794 -11.167 -1.785) 11.450 7.841 ( -1.051 -4.215 -4.683) 6.388 8.147 ( -2.336 2.152 0.301) 3.190 8.170 ( 0.005 2.655 -0.108) 2.657 8.287 ( 1.478 0.277 1.093) 1.859 8.420 ( 2.541 0.050 1.933) 3.193 8.594 ( -6.449 4.440 1.242) 7.928 8.787 ( 3.940 -3.050 -1.849) 5.314 9.013 ( -1.083 -0.703 1.130) 1.716 9.417 ( 0.091 12.260 -6.540) 13.895 9.762 ( 3.379 -4.466 -8.233) 9.957 10.002 ( -5.241 0.006 -5.580) 7.655 10.221 ( -5.624 -1.836 -1.583) 6.124 10.361 ( 6.390 4.852 -5.424) 9.684 10.391 ( 3.096 -13.058 -2.347) 13.624 10.655 ( 2.193 -5.119 4.626) 7.240 10.840 ( 1.205 6.130 -8.259) 10.356 11.066 ( -6.571 -3.028 -2.725) 7.732 11.154 ( 1.098 3.472 9.514) 10.187 11.401 ( 0.184 -7.319 2.249) 7.659 11.548 ( -1.309 -0.772 -3.760) 4.056 11.858 ( -2.340 -3.762 1.023) 4.547 11.982 ( 1.377 9.792 3.032) 10.343 12.324 ( -1.121 -3.200 6.672) 7.484 12.625 ( 1.003 5.629 5.260) 7.769 12.763 ( 2.117 9.622 7.316) 12.271 13.345 ( 2.139 -5.213 1.160) 5.753 13.822 ( -1.158 -4.785 2.251) 5.413 13.867 ( -3.678 -2.710 -0.047) 4.569 14.143 ( 3.329 -0.078 -2.815) 4.360 14.445 ( -1.512 8.043 -7.360) 11.007 14.686 ( 1.570 -4.934 2.802) 5.888 15.034 ( -0.664 10.305 0.829) 10.359 16.067 ( -0.148 4.186 -3.120) 5.223 17.012 ( 1.780 -13.065 -0.382) 13.191 17.164 ( -3.770 -3.938 1.786) 5.737 17.301 ( 1.567 -4.944 0.869) 5.259 17.748 ( -1.845 8.256 7.493) 11.301 17.957 ( 1.321 11.040 -8.990) 14.298 18.957 ( 1.128 -8.725 2.636) 9.184 19.330 ( 0.338 7.938 2.529) 8.338 ======================= Grid point 20 (15/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 6.246 10.700 18.577) 22.329 1.947 ( 1.999 16.853 18.899) 25.401 2.500 ( -15.182 -6.650 5.620) 17.501 2.757 ( -7.698 -4.468 0.052) 8.901 2.868 ( 2.682 -12.259 -7.692) 14.719 3.285 ( 3.090 -12.510 -1.072) 12.930 3.320 ( -4.908 3.759 -0.749) 6.228 3.525 ( 7.451 15.563 16.466) 23.850 3.679 ( -3.716 -1.530 -2.958) 4.990 3.725 ( 13.757 -0.334 2.314) 13.954 3.922 ( 2.705 1.082 -4.418) 5.293 4.223 ( 1.742 2.231 5.580) 6.256 4.297 ( -9.182 -0.426 -2.449) 9.513 4.512 ( 2.008 7.735 -2.959) 8.521 4.694 ( -3.418 -5.306 -3.358) 7.149 5.090 ( -6.724 -1.102 -3.818) 7.810 5.415 ( -0.346 -6.746 -5.074) 8.448 5.705 ( 2.189 -4.395 -2.904) 5.704 7.125 ( 0.439 2.635 -2.732) 3.821 7.683 ( 0.289 -10.331 -1.080) 10.391 7.767 ( 2.403 -3.096 -3.795) 5.455 8.121 ( -3.465 2.837 -0.142) 4.481 8.170 ( -0.674 -0.296 -1.224) 1.428 8.336 ( 4.690 -0.174 -0.820) 4.765 8.508 ( 5.890 -0.282 2.248) 6.311 8.558 ( -3.170 3.960 -0.715) 5.123 8.741 ( -6.983 -0.915 2.431) 7.450 9.133 ( 11.674 2.586 4.005) 12.610 9.446 ( 3.998 8.821 -7.485) 12.240 9.655 ( -2.305 -2.501 -8.681) 9.324 9.835 ( -4.142 -2.596 -6.724) 8.313 10.125 ( -5.154 -2.168 1.103) 5.699 10.323 ( 0.802 -10.201 -0.109) 10.233 10.417 ( 5.825 0.549 -3.425) 6.779 10.703 ( 0.606 -3.504 3.509) 4.996 10.774 ( 0.839 0.878 -7.543) 7.640 10.960 ( -0.888 3.447 -3.665) 5.109 11.291 ( -0.546 0.140 5.715) 5.743 11.416 ( 2.025 -4.456 6.186) 7.888 11.506 ( 2.427 2.401 -4.463) 5.619 11.748 ( -4.399 -8.983 -0.571) 10.019 12.073 ( -1.990 8.385 1.402) 8.731 12.385 ( -2.307 -1.130 7.602) 8.025 12.702 ( -0.373 5.146 3.240) 6.092 12.983 ( 5.894 6.414 5.169) 10.129 13.361 ( -1.567 0.352 5.241) 5.482 13.755 ( -1.482 -7.759 -2.732) 8.358 13.831 ( -1.074 -4.068 5.276) 6.748 14.166 ( 2.829 3.222 -5.445) 6.930 14.357 ( -2.975 1.988 -5.184) 6.299 14.765 ( 4.857 -0.498 4.071) 6.357 15.098 ( -3.656 11.074 1.001) 11.705 16.077 ( 2.460 2.094 -1.768) 3.683 16.857 ( -8.833 -8.733 2.329) 12.638 17.158 ( 2.808 -4.180 -0.379) 5.050 17.273 ( 1.862 -5.501 -3.916) 7.005 17.860 ( 1.881 4.835 2.542) 5.777 17.986 ( -1.675 12.072 -0.721) 12.209 18.910 ( -0.949 -8.142 0.357) 8.205 19.424 ( 0.842 6.399 2.035) 6.767 ======================= Grid point 21 (16/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -5.090 4.723 5.418) 8.807 2.240 ( -18.898 -2.212 0.035) 19.027 2.335 ( 3.620 13.595 16.054) 21.346 2.614 ( -3.283 -3.276 3.240) 5.657 2.752 ( 0.016 -8.511 -0.395) 8.520 3.147 ( 0.116 -6.716 -7.626) 10.163 3.328 ( 2.287 -2.566 1.051) 3.595 3.595 ( -3.355 0.161 -3.329) 4.729 3.695 ( 7.184 -7.815 -4.789) 11.646 3.951 ( 5.849 3.702 -0.397) 6.933 4.087 ( 3.006 5.156 0.103) 5.969 4.139 ( 4.176 2.925 6.867) 8.553 4.274 ( -14.147 -1.779 -1.959) 14.392 4.502 ( -5.215 8.961 -0.160) 10.370 4.525 ( -4.309 -6.061 2.035) 7.710 5.034 ( 0.578 5.949 1.374) 6.133 5.430 ( 9.739 -3.237 -0.435) 10.272 5.635 ( -2.020 -4.694 -2.410) 5.650 7.096 ( 0.640 0.942 -5.249) 5.371 7.623 ( 1.443 -6.956 0.610) 7.130 7.780 ( 6.089 -0.630 -1.424) 6.285 8.101 ( -0.669 0.881 -0.891) 1.421 8.148 ( -1.473 2.177 -0.453) 2.667 8.357 ( 2.940 -2.673 -2.323) 4.603 8.555 ( -3.808 0.508 -0.558) 3.882 8.580 ( 2.861 3.961 -1.048) 4.997 8.705 ( -0.478 -2.966 5.733) 6.473 9.363 ( -6.533 -0.396 -7.110) 9.664 9.426 ( 14.631 2.566 4.274) 15.457 9.570 ( 6.637 6.571 -6.982) 11.661 9.741 ( 1.065 -2.662 -3.416) 4.459 10.083 ( -1.520 -1.759 2.760) 3.608 10.247 ( -3.980 -7.152 2.527) 8.566 10.440 ( 4.173 -1.651 -3.651) 5.785 10.627 ( -9.347 0.562 1.333) 9.458 10.775 ( 8.564 -1.324 -9.185) 12.627 11.003 ( 5.411 0.375 2.975) 6.187 11.317 ( -0.491 -0.250 2.140) 2.210 11.430 ( -1.223 -6.628 0.358) 6.749 11.562 ( 6.655 5.002 -2.406) 8.666 11.669 ( -0.807 -2.930 2.508) 3.941 12.097 ( -4.122 7.100 -0.183) 8.211 12.379 ( -7.265 -2.150 4.633) 8.881 12.770 ( -2.642 4.447 4.193) 6.659 13.061 ( -1.880 -0.338 -0.989) 2.151 13.442 ( 0.296 3.084 6.721) 7.401 13.656 ( -0.511 -5.907 -2.300) 6.359 13.860 ( 1.325 -5.088 5.115) 7.336 14.127 ( 0.811 6.241 -9.344) 11.266 14.319 ( -0.469 -1.611 1.605) 2.322 14.861 ( 3.995 -0.876 1.925) 4.520 15.132 ( -6.090 9.823 2.294) 11.783 16.137 ( 6.708 2.022 -0.460) 7.021 16.751 ( -7.100 -3.193 6.469) 10.122 17.151 ( 3.180 -5.848 -0.396) 6.668 17.160 ( -1.516 -4.615 -9.153) 10.362 17.894 ( -1.141 6.544 -5.431) 8.580 18.102 ( 0.562 6.945 8.439) 10.944 18.820 ( -2.122 -7.199 -1.688) 7.693 19.486 ( -0.761 3.836 1.349) 4.137 ======================= Grid point 22 (17/90) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -21.003 -6.601 -3.855) 22.351 1.948 ( -23.351 3.814 -2.982) 23.847 2.574 ( -3.164 -0.357 6.732) 7.447 2.662 ( 1.634 4.873 2.736) 5.822 2.839 ( 6.582 3.509 6.861) 10.134 3.083 ( 6.802 -1.205 -0.051) 6.908 3.312 ( -2.238 -6.492 -5.663) 8.900 3.497 ( -3.285 -0.244 -2.325) 4.032 3.650 ( 4.349 -5.563 -5.373) 8.873 3.739 ( -31.149 -2.469 -1.633) 31.290 4.023 ( 0.211 1.850 0.379) 1.900 4.159 ( 8.059 3.688 -7.265) 11.460 4.329 ( 0.653 -11.380 -5.180) 12.520 4.440 ( 1.764 4.194 11.385) 12.260 4.741 ( 9.311 9.434 8.196) 15.584 5.169 ( 2.681 8.879 2.214) 9.536 5.463 ( 1.754 -5.866 -0.302) 6.130 5.617 ( 7.831 -2.493 -1.621) 8.376 7.054 ( 0.571 0.291 -3.605) 3.661 7.631 ( 3.466 -3.159 1.959) 5.082 7.874 ( 7.775 1.903 -0.047) 8.005 8.099 ( 0.672 1.262 -1.388) 1.993 8.147 ( -0.377 1.039 -0.204) 1.124 8.347 ( 1.831 -2.089 -1.183) 3.019 8.449 ( -8.988 0.268 -0.495) 9.006 8.615 ( -0.646 2.988 -2.322) 3.838 8.769 ( 4.157 -5.655 4.563) 8.372 9.148 ( -5.155 -3.651 -5.751) 8.543 9.637 ( 10.569 2.573 -5.483) 12.181 9.696 ( 4.974 1.949 -0.870) 5.413 9.789 ( 10.000 4.429 4.371) 11.778 10.153 ( 3.148 2.013 3.491) 5.114 10.177 ( -1.905 -6.483 6.470) 9.355 10.425 ( 1.290 1.133 -3.418) 3.825 10.544 ( -6.333 2.724 0.612) 6.921 10.749 ( 6.848 -6.621 -6.889) 11.755 11.150 ( 6.698 0.776 6.502) 9.367 11.321 ( -3.912 -6.324 1.150) 7.525 11.344 ( 1.871 0.903 -2.871) 3.544 11.670 ( -1.581 2.381 -2.612) 3.872 11.698 ( 10.900 3.436 -0.608) 11.445 12.069 ( -6.567 5.237 -0.759) 8.434 12.278 ( -9.402 -4.058 2.223) 10.479 12.772 ( -7.603 1.733 3.384) 8.500 12.943 ( -10.125 -1.109 -2.637) 10.521 13.509 ( -2.616 0.696 1.891) 3.302 13.618 ( 7.668 -4.843 -2.559) 9.424 13.893 ( 1.242 -3.424 2.531) 4.435 14.104 ( 0.505 4.831 -4.005) 6.295 14.353 ( 1.075 1.084 4.352) 4.612 14.885 ( 1.419 -2.521 -1.841) 3.429 15.139 ( -7.137 6.013 3.336) 9.910 16.285 ( 12.369 2.180 1.031) 12.602 16.764 ( -3.989 0.724 9.766) 10.574 16.961 ( -4.755 -2.793 -12.373) 13.546 17.159 ( 3.819 -5.940 1.924) 7.319 17.819 ( -6.732 5.564 -6.121) 10.665 18.254 ( 2.150 2.614 6.140) 7.011 18.723 ( -1.377 -4.386 -1.767) 4.925 19.491 ( -3.295 1.436 0.889) 3.703 ======================= Grid point 23 (18/90) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -25.193 -2.546 -2.361) 25.432 1.613 ( -27.398 5.813 -1.352) 28.040 2.545 ( -0.460 -0.462 -7.521) 7.549 2.661 ( -5.643 -1.476 8.103) 9.984 2.886 ( -39.566 -2.902 -1.765) 39.712 3.012 ( 3.619 2.623 1.248) 4.641 3.280 ( 9.528 4.038 5.076) 11.527 3.431 ( 2.743 -4.075 -6.244) 7.945 3.587 ( 3.192 -1.463 5.604) 6.613 3.616 ( -1.406 0.579 1.386) 2.058 4.055 ( 2.471 4.204 -0.482) 4.900 4.156 ( 0.895 -4.252 -8.552) 9.592 4.264 ( 8.421 -3.384 -1.336) 9.174 4.608 ( -0.670 5.298 8.094) 9.697 4.973 ( 9.287 0.834 -0.884) 9.366 5.174 ( -2.366 -2.125 -0.141) 3.183 5.555 ( 9.516 3.091 0.100) 10.005 5.691 ( 9.438 -2.729 -0.526) 9.838 7.032 ( -0.920 -0.219 -0.384) 1.021 7.709 ( 5.318 0.135 2.894) 6.056 7.971 ( 5.276 1.403 -4.506) 7.079 8.097 ( -1.194 1.156 1.856) 2.491 8.152 ( 1.146 -0.646 -0.019) 1.316 8.330 ( -3.569 -0.520 0.684) 3.671 8.356 ( -1.959 -0.697 -0.131) 2.084 8.546 ( -5.932 1.021 -3.187) 6.811 8.823 ( 4.064 -4.494 2.244) 6.461 9.070 ( -0.296 0.718 -0.514) 0.931 9.705 ( 6.014 3.597 -6.142) 9.319 9.784 ( 6.279 -2.716 5.250) 8.624 9.969 ( 8.092 1.663 -0.909) 8.311 10.112 ( -0.735 -1.134 -0.956) 1.656 10.302 ( 4.248 -1.949 1.181) 4.821 10.496 ( -4.957 2.746 1.890) 5.974 10.559 ( 10.107 7.906 8.415) 15.345 10.718 ( 7.742 -9.873 -3.225) 12.954 11.200 ( -4.103 -5.789 -2.230) 7.438 11.314 ( 2.526 5.791 2.765) 6.897 11.399 ( 4.557 2.874 2.866) 6.103 11.553 ( -5.320 0.312 -12.114) 13.234 11.869 ( 11.550 1.295 0.122) 11.623 11.989 ( -8.913 -0.052 2.150) 9.169 12.145 ( -7.337 -2.662 -0.463) 7.819 12.667 ( -13.847 0.438 1.489) 13.933 12.756 ( -11.950 0.061 -0.991) 11.991 13.472 ( -1.293 -0.239 -0.904) 1.596 13.707 ( 12.046 -2.380 -2.406) 12.512 13.889 ( -0.934 0.987 -1.597) 2.097 14.118 ( 0.123 -0.028 2.824) 2.826 14.444 ( 0.693 1.837 5.347) 5.696 14.832 ( 0.507 -1.758 -5.467) 5.765 15.106 ( -7.154 1.383 2.418) 7.677 16.507 ( 16.785 -0.162 0.963) 16.813 16.717 ( -4.940 -0.667 -15.552) 16.332 16.869 ( -2.989 2.172 13.600) 14.093 17.211 ( 3.131 -3.128 5.028) 6.698 17.669 ( -9.032 2.130 -6.217) 11.170 18.301 ( -1.553 -1.119 0.085) 1.916 18.713 ( 2.197 0.396 2.177) 3.118 19.444 ( -5.672 0.075 0.563) 5.700 ======================= Grid point 24 (19/90) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -25.246 5.813 5.310) 26.445 1.309 ( -27.975 9.375 4.517) 29.848 2.347 ( -45.594 5.989 10.794) 47.235 2.440 ( 1.246 0.635 -8.316) 8.433 2.724 ( -4.314 -2.368 13.692) 14.549 3.007 ( -2.520 0.708 -1.616) 3.076 3.382 ( 5.668 -3.325 -8.973) 11.122 3.447 ( 8.654 0.006 -0.181) 8.656 3.679 ( 4.686 -0.347 1.517) 4.937 3.723 ( 5.126 -0.692 7.778) 9.341 4.041 ( -1.605 -2.639 -2.252) 3.823 4.155 ( 6.653 3.882 -1.564) 7.860 4.345 ( 7.180 0.367 -0.969) 7.255 4.640 ( -5.803 -0.578 -0.109) 5.833 4.959 ( -3.932 2.320 -1.723) 4.880 5.201 ( 12.266 -7.777 -5.124) 15.401 5.649 ( 9.181 -1.886 -3.925) 10.161 5.840 ( 8.564 1.444 2.209) 8.961 7.009 ( -3.133 -0.206 1.590) 3.520 7.820 ( 4.655 0.248 2.297) 5.196 7.941 ( 0.875 0.852 -3.889) 4.076 8.095 ( -1.054 -1.613 -1.103) 2.220 8.172 ( 1.645 -0.383 -0.122) 1.693 8.307 ( -1.506 -2.600 2.281) 3.773 8.376 ( 0.189 3.903 5.072) 6.403 8.436 ( -6.837 1.490 -1.698) 7.201 8.854 ( 3.589 -1.730 -2.612) 4.764 9.108 ( 0.828 3.015 2.933) 4.287 9.682 ( -4.987 4.343 -6.344) 9.164 9.898 ( 6.243 -4.938 4.548) 9.167 9.997 ( 2.266 -2.893 -4.052) 5.470 10.176 ( 13.598 1.639 -3.170) 14.059 10.381 ( 5.403 -0.596 3.974) 6.734 10.448 ( -2.227 -3.462 1.292) 4.314 10.714 ( 7.586 -10.849 -1.662) 13.343 10.896 ( 6.016 5.965 8.889) 12.280 11.075 ( -2.233 3.403 -5.516) 6.855 11.234 ( -10.690 3.709 -16.428) 19.948 11.401 ( 2.570 4.057 -0.886) 4.883 11.578 ( 5.209 -0.562 8.404) 9.903 11.887 ( -8.792 -2.475 2.646) 9.509 11.999 ( 3.406 -3.331 -5.595) 7.349 12.048 ( 1.018 2.887 1.266) 3.313 12.475 ( -17.060 0.784 3.970) 17.534 12.642 ( -8.722 2.411 4.080) 9.926 13.455 ( 3.334 -0.665 -5.209) 6.220 13.817 ( 4.077 0.415 1.180) 4.265 13.873 ( 2.565 3.932 -3.374) 5.782 14.172 ( 1.524 -1.292 5.482) 5.835 14.468 ( -3.046 -4.741 1.541) 5.842 14.786 ( 2.517 3.749 -5.428) 7.061 15.024 ( -6.825 -1.999 0.213) 7.115 16.462 ( -6.574 2.171 -16.078) 17.505 16.724 ( 17.617 -5.030 -1.021) 18.350 17.027 ( 0.451 1.158 14.165) 14.219 17.309 ( 1.516 0.182 8.184) 8.325 17.492 ( -8.313 0.296 -4.220) 9.328 18.228 ( -4.003 -0.374 -3.936) 5.626 18.809 ( 4.196 0.331 4.909) 6.467 19.360 ( -7.163 0.218 -0.098) 7.167 ======================= Grid point 26 (20/90) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -10.363 10.470 16.288) 21.962 1.809 ( -9.740 14.038 17.970) 24.796 2.373 ( 14.545 -4.092 -2.820) 15.371 2.736 ( 8.868 -3.104 1.385) 9.497 2.988 ( -2.445 -4.998 8.039) 9.777 3.163 ( -11.236 13.947 11.297) 21.175 3.255 ( -3.166 -6.637 -1.094) 7.435 3.436 ( 5.235 1.099 0.499) 5.372 3.617 ( -3.579 5.660 10.486) 12.442 3.910 ( -0.173 0.751 -9.246) 9.278 3.928 ( -2.671 -3.764 0.466) 4.639 4.105 ( -3.926 -4.340 -5.346) 7.927 4.328 ( 0.636 0.882 -0.991) 1.471 4.529 ( 6.140 0.600 -1.733) 6.408 4.846 ( 10.215 -9.471 -8.299) 16.215 4.991 ( 1.081 6.760 1.529) 7.015 5.497 ( 1.325 -5.818 -5.425) 8.064 5.791 ( 0.022 -5.661 -3.909) 6.880 7.104 ( -0.340 3.072 0.633) 3.155 7.760 ( -0.988 -6.222 -0.772) 6.347 7.846 ( 0.128 -4.093 -1.535) 4.373 8.127 ( 3.139 2.982 -0.438) 4.352 8.172 ( 2.689 2.090 -2.933) 4.495 8.336 ( -5.399 -1.900 1.999) 6.063 8.481 ( -3.667 3.745 4.195) 6.714 8.604 ( 2.552 -3.367 -4.305) 6.032 8.684 ( 0.448 2.665 2.020) 3.374 9.211 ( -8.469 -0.002 0.785) 8.506 9.544 ( -9.283 8.706 -5.310) 13.790 9.686 ( 1.095 -3.428 -7.963) 8.738 9.928 ( 8.223 0.464 -3.930) 9.126 10.169 ( 5.087 -1.283 0.267) 5.253 10.323 ( 7.912 -13.847 -0.803) 15.968 10.395 ( -6.310 -2.393 -1.904) 7.012 10.611 ( 1.091 2.662 -0.804) 2.988 10.909 ( -7.828 2.773 -6.086) 10.296 10.997 ( 3.665 3.623 11.626) 12.717 11.329 ( -5.519 -3.651 -6.059) 8.972 11.398 ( 0.882 -3.709 2.701) 4.672 11.644 ( -5.130 0.795 -4.389) 6.798 11.812 ( 4.434 -0.256 -0.304) 4.452 11.931 ( 0.930 8.377 2.609) 8.823 12.244 ( 7.290 -5.832 4.645) 10.428 12.569 ( 1.420 4.978 6.057) 7.968 12.942 ( -11.409 6.361 7.404) 15.015 13.233 ( 4.137 -2.377 -2.342) 5.315 13.854 ( -0.649 -5.135 -2.101) 5.586 13.893 ( 2.240 -2.837 0.538) 3.655 14.167 ( -4.705 0.280 -3.008) 5.591 14.388 ( 4.341 5.796 1.956) 7.501 14.741 ( -3.702 -4.734 -2.685) 6.582 15.009 ( 2.015 8.952 2.573) 9.530 16.134 ( -5.007 4.329 -4.415) 7.956 16.731 ( 12.956 -7.779 0.621) 15.125 17.272 ( -1.169 -7.027 1.392) 7.258 17.356 ( -2.823 -1.201 3.366) 4.554 17.809 ( -2.471 8.891 8.391) 12.473 17.917 ( 1.225 4.291 -11.550) 12.382 18.912 ( 1.217 -6.797 2.498) 7.343 19.364 ( -2.065 5.598 1.947) 6.276 ======================= Grid point 27 (21/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -2.897 10.654 18.834) 21.832 2.028 ( -6.018 15.541 17.478) 24.150 2.526 ( 15.431 -5.510 0.037) 16.385 2.795 ( 0.769 -7.356 1.472) 7.541 2.956 ( -1.145 -8.550 0.210) 8.628 3.147 ( 1.543 -8.114 -4.032) 9.191 3.352 ( -2.686 14.515 13.556) 20.042 3.471 ( 5.572 -4.304 -0.945) 7.104 3.653 ( -10.192 1.491 0.346) 10.306 3.783 ( -4.963 -2.253 -4.927) 7.348 3.854 ( -0.699 -3.289 -5.222) 6.211 4.104 ( 4.955 7.493 10.829) 14.070 4.392 ( 2.817 5.682 1.593) 6.539 4.553 ( -1.174 -0.355 -3.384) 3.599 4.755 ( 1.434 0.132 -8.321) 8.445 5.082 ( 0.514 -1.063 2.636) 2.888 5.408 ( 5.190 -7.699 -7.231) 11.769 5.685 ( -2.097 -4.907 -3.191) 6.217 7.111 ( 0.304 2.037 -3.351) 3.933 7.668 ( -1.250 -7.256 -3.377) 8.100 7.789 ( -1.863 -5.139 0.297) 5.474 8.163 ( 0.642 1.292 -1.193) 1.872 8.182 ( 1.082 3.744 -3.430) 5.192 8.291 ( -1.047 -2.871 1.846) 3.570 8.453 ( -4.725 0.629 1.175) 4.909 8.675 ( 1.669 1.944 0.123) 2.566 8.692 ( 4.098 0.899 1.252) 4.378 9.109 ( -7.932 -0.491 2.998) 8.494 9.435 ( -3.854 8.671 -9.919) 13.727 9.608 ( 2.718 -0.470 -6.949) 7.477 9.944 ( 0.845 0.847 -7.222) 7.320 10.230 ( 2.414 -11.087 4.737) 12.296 10.257 ( 2.236 -3.108 -2.526) 4.587 10.312 ( -3.736 -4.053 1.735) 5.778 10.629 ( 0.609 -3.158 1.022) 3.374 10.779 ( -0.337 8.913 -11.125) 14.259 11.121 ( -7.757 -1.933 -2.598) 8.406 11.277 ( 3.659 6.958 9.549) 12.368 11.366 ( -0.245 -5.958 1.300) 6.103 11.536 ( -3.857 -3.089 -2.508) 5.542 11.810 ( 1.273 -9.265 -1.264) 9.437 12.065 ( 2.446 9.315 2.622) 9.981 12.339 ( 4.884 -2.642 5.015) 7.482 12.709 ( 0.992 4.802 4.739) 6.820 12.942 ( -5.586 9.069 5.780) 12.118 13.285 ( 5.550 -2.542 2.212) 6.493 13.778 ( 0.188 -7.237 -1.113) 7.325 13.911 ( 0.173 -4.133 3.289) 5.285 14.098 ( -1.738 2.738 -3.039) 4.445 14.455 ( -2.394 8.011 -5.657) 10.095 14.670 ( 1.004 -5.073 3.912) 6.484 15.140 ( 0.690 11.338 2.434) 11.616 16.073 ( -2.234 2.205 -2.524) 4.028 16.824 ( 9.298 -9.126 -0.038) 13.029 17.212 ( -1.759 -8.485 2.838) 9.118 17.287 ( -5.934 -0.750 -2.628) 6.533 17.845 ( 1.130 5.374 -5.925) 8.079 17.982 ( 0.622 11.569 4.984) 12.613 18.894 ( 1.479 -8.437 1.323) 8.667 19.422 ( -0.707 6.568 2.404) 7.030 ======================= Grid point 28 (22/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.871 10.670 16.871) 20.049 2.274 ( -0.933 14.209 12.132) 18.707 2.651 ( 0.851 -6.502 -3.799) 7.578 2.689 ( -2.373 -5.398 7.181) 9.291 2.852 ( -8.805 -3.394 2.181) 9.685 3.074 ( 5.841 -11.332 -5.522) 13.893 3.378 ( -2.834 -2.116 -5.773) 6.770 3.482 ( 1.258 -9.827 -5.117) 11.151 3.611 ( 3.074 -5.617 -0.975) 6.477 3.778 ( 2.957 6.035 9.001) 11.233 3.792 ( 5.740 5.788 -4.745) 9.432 4.331 ( -5.431 4.203 -1.499) 7.029 4.451 ( -3.746 5.429 9.598) 11.646 4.546 ( 3.738 10.951 2.971) 11.947 4.702 ( -3.938 -0.957 -2.833) 4.944 5.062 ( 1.361 -1.573 -0.760) 2.214 5.303 ( -0.939 -8.866 -6.305) 10.920 5.638 ( 1.572 -1.566 -0.416) 2.258 7.067 ( 0.825 -0.434 -6.029) 6.100 7.559 ( 1.148 -6.664 -4.557) 8.154 7.741 ( -2.185 -3.406 2.205) 4.608 8.135 ( -1.410 -1.388 -1.593) 2.540 8.196 ( 0.697 5.356 -2.279) 5.862 8.292 ( -0.158 -1.358 0.736) 1.553 8.421 ( 2.135 -3.988 -0.851) 4.603 8.632 ( -3.016 4.162 -1.362) 5.317 8.855 ( 1.023 1.719 6.746) 7.036 9.097 ( 2.318 0.944 5.220) 5.789 9.365 ( 2.339 8.706 -11.121) 14.316 9.577 ( 0.917 0.198 -4.461) 4.559 9.778 ( -6.081 -4.258 -9.694) 12.210 10.196 ( -3.492 -3.683 1.809) 5.388 10.240 ( 1.838 -7.000 2.469) 7.647 10.318 ( 2.866 -3.925 2.345) 5.396 10.594 ( 3.365 -0.575 -7.499) 8.239 10.776 ( 0.931 1.945 0.086) 2.158 10.990 ( -5.617 3.605 -4.011) 7.787 11.322 ( 0.049 -0.573 -0.055) 0.578 11.441 ( -1.770 -1.815 0.307) 2.554 11.490 ( 1.528 3.038 3.094) 4.598 11.708 ( -1.085 -12.341 2.013) 12.551 12.165 ( -0.338 6.495 1.235) 6.620 12.450 ( 2.721 -0.018 4.967) 5.663 12.760 ( -0.626 3.583 1.359) 3.883 13.060 ( 0.715 6.341 5.613) 8.498 13.378 ( 5.289 -1.138 2.786) 6.085 13.714 ( -2.025 -3.905 -0.631) 4.444 13.904 ( -3.176 -6.298 7.163) 10.053 14.088 ( 2.531 4.407 -6.389) 8.164 14.363 ( -4.334 1.485 -4.113) 6.156 14.746 ( 3.779 0.141 3.540) 5.180 15.247 ( -1.903 11.095 2.226) 11.475 16.047 ( 0.424 0.157 -1.432) 1.502 16.831 ( 2.906 -9.026 0.558) 9.499 17.157 ( -4.959 1.182 -2.956) 5.893 17.180 ( 0.198 -7.235 -0.098) 7.238 17.847 ( 1.998 4.555 -4.161) 6.485 18.134 ( -0.586 10.797 5.552) 12.155 18.848 ( 0.434 -8.331 -0.357) 8.350 19.488 ( -0.075 5.029 1.786) 5.337 ======================= Grid point 29 (23/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -6.459 0.243 3.800) 7.498 2.394 ( -3.115 5.766 -3.238) 7.310 2.587 ( -5.528 7.727 8.114) 12.494 2.685 ( -8.866 0.683 8.302) 12.165 2.847 ( -1.343 1.512 11.779) 11.951 2.976 ( 2.291 -9.454 -7.032) 12.003 3.237 ( 0.981 -5.197 -7.072) 8.831 3.416 ( 10.382 -11.987 -7.372) 17.487 3.553 ( 0.870 -3.319 -3.314) 4.771 3.842 ( 8.564 3.307 -3.240) 9.735 4.100 ( 10.949 4.523 10.017) 15.514 4.171 ( -7.046 0.991 -6.301) 9.505 4.472 ( -13.764 0.444 -0.065) 13.771 4.555 ( -8.457 -1.044 0.030) 8.522 4.738 ( -2.613 10.633 8.359) 13.775 5.072 ( -0.650 1.822 0.508) 2.000 5.241 ( 10.900 -4.892 -2.353) 12.177 5.625 ( -2.213 -1.817 -0.471) 2.902 7.010 ( 1.860 -1.203 -4.852) 5.334 7.517 ( 5.240 -4.316 -2.492) 7.232 7.737 ( 0.289 -0.012 1.963) 1.984 8.097 ( -0.498 -0.878 -0.314) 1.057 8.207 ( -3.699 4.924 -0.914) 6.226 8.270 ( 2.342 -2.775 -1.691) 4.006 8.459 ( 8.528 -2.909 -0.838) 9.049 8.636 ( -1.461 2.762 1.000) 3.281 8.835 ( -10.434 0.500 4.261) 11.281 9.273 ( 5.896 -2.185 -4.407) 7.678 9.395 ( 5.018 6.863 2.708) 8.922 9.478 ( 0.927 1.104 -5.249) 5.443 9.644 ( 3.021 -2.482 -4.072) 5.645 10.147 ( -3.605 -0.195 2.124) 4.189 10.241 ( 0.106 -5.031 1.818) 5.351 10.348 ( 2.943 -4.267 2.050) 5.575 10.562 ( 6.283 0.083 -9.095) 11.055 10.759 ( -6.581 -0.120 1.228) 6.696 10.982 ( 3.501 3.104 1.544) 4.927 11.329 ( 0.308 0.852 -0.342) 0.969 11.403 ( -2.001 -3.431 -1.138) 4.131 11.496 ( 2.783 -0.898 -0.505) 2.968 11.704 ( -0.358 -0.641 3.036) 3.124 12.193 ( -2.672 4.607 0.082) 5.327 12.477 ( -4.063 -1.743 2.055) 4.876 12.815 ( 2.704 2.834 0.458) 3.944 13.129 ( -3.335 1.682 3.544) 5.148 13.422 ( 2.288 -4.640 -1.572) 5.407 13.675 ( -2.492 1.916 0.701) 3.221 13.906 ( -3.057 -6.646 7.982) 10.827 14.060 ( 1.622 6.925 -8.507) 11.088 14.327 ( 0.798 -1.272 1.833) 2.369 14.817 ( 2.934 0.166 -0.052) 2.940 15.305 ( -4.392 7.585 2.218) 9.041 16.062 ( 4.187 -0.530 -0.569) 4.259 16.807 ( 0.312 -3.167 -0.150) 3.186 17.076 ( 0.385 -5.418 -0.466) 5.452 17.130 ( -4.481 -0.064 -0.276) 4.490 17.864 ( 2.190 3.180 -3.901) 5.488 18.248 ( -1.704 6.912 4.634) 8.495 18.774 ( -1.235 -6.061 -1.155) 6.292 19.531 ( -0.292 2.471 0.940) 2.659 ======================= Grid point 30 (24/90) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -18.028 -1.332 -0.661) 18.089 2.256 ( -18.481 6.604 -2.483) 19.782 2.564 ( -2.119 -2.222 -3.553) 4.696 2.799 ( -2.657 -8.444 -2.102) 9.098 2.854 ( 1.825 13.216 8.251) 15.687 3.076 ( 4.322 4.269 9.657) 11.409 3.144 ( 4.608 -7.912 -7.645) 11.928 3.412 ( 7.075 -4.681 -0.529) 8.500 3.554 ( 3.837 -0.484 0.762) 3.941 3.955 ( 10.304 4.044 -5.767) 12.481 4.027 ( -1.050 -3.431 -8.244) 8.991 4.162 ( -28.033 0.231 3.347) 28.233 4.289 ( -6.100 -1.797 3.906) 7.463 4.500 ( 5.886 -1.286 5.716) 8.305 4.820 ( -3.186 5.231 1.698) 6.356 5.172 ( 7.031 5.356 -1.215) 8.922 5.330 ( 9.718 -5.069 -1.051) 11.011 5.558 ( -2.874 -1.092 -0.488) 3.113 7.001 ( 2.387 -0.454 -0.690) 2.526 7.567 ( 6.545 -1.011 0.427) 6.636 7.793 ( 4.372 2.458 0.094) 5.017 8.108 ( 0.633 1.114 1.344) 1.856 8.167 ( -2.512 0.577 -0.865) 2.718 8.283 ( 2.833 -1.479 -0.718) 3.276 8.529 ( 1.321 -1.275 -0.386) 1.876 8.631 ( -2.423 1.055 1.572) 3.075 8.753 ( -4.191 -0.001 -0.403) 4.210 9.136 ( -4.223 -6.054 -0.929) 7.439 9.461 ( 7.791 1.275 -5.290) 9.503 9.624 ( 5.307 1.354 -1.937) 5.809 9.751 ( 11.066 3.204 7.877) 13.956 10.161 ( 1.214 2.019 0.624) 2.437 10.203 ( -1.933 -3.904 1.155) 4.507 10.401 ( 3.228 1.261 4.033) 5.318 10.538 ( 5.350 -2.429 -7.715) 9.698 10.676 ( -7.150 1.127 1.471) 7.386 11.112 ( 7.370 -1.355 3.945) 8.468 11.298 ( -1.725 -3.719 1.285) 4.296 11.376 ( -0.664 4.258 0.368) 4.325 11.584 ( 7.182 0.063 0.906) 7.239 11.679 ( -2.590 3.998 -6.097) 7.737 12.170 ( -4.445 2.220 -0.400) 4.985 12.377 ( -8.328 -3.740 -0.312) 9.135 12.842 ( -1.189 0.223 -0.977) 1.555 13.087 ( -8.775 0.613 2.626) 9.180 13.387 ( 5.771 -4.693 -4.457) 8.672 13.633 ( -5.927 2.519 -1.760) 6.676 13.895 ( -1.206 -3.191 2.881) 4.465 14.090 ( 3.280 3.194 -0.496) 4.605 14.391 ( 2.777 1.089 4.667) 5.538 14.815 ( 0.949 -1.425 -4.208) 4.543 15.293 ( -6.068 2.065 1.403) 6.561 16.144 ( 9.228 -1.135 0.082) 9.298 16.762 ( -0.640 1.643 -7.619) 7.820 17.060 ( -7.572 0.275 6.161) 9.766 17.112 ( 3.706 -3.176 5.243) 7.163 17.835 ( -2.133 1.913 -5.475) 6.180 18.295 ( -0.254 -0.438 1.176) 1.281 18.721 ( -1.608 -0.276 0.677) 1.767 19.537 ( -1.441 0.047 0.227) 1.460 ======================= Grid point 31 (25/90) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -23.132 3.584 2.848) 23.581 2.010 ( -22.901 6.764 0.499) 23.884 2.426 ( -1.009 -0.504 -12.331) 12.382 2.719 ( 2.639 -9.103 -3.285) 10.031 2.989 ( -4.337 2.887 5.057) 7.261 3.109 ( 6.188 2.263 -1.862) 6.847 3.231 ( 5.702 0.788 1.181) 5.876 3.507 ( -2.214 1.643 7.801) 8.274 3.612 ( -5.576 -4.036 3.664) 7.798 3.797 ( -17.446 3.856 6.747) 19.099 3.941 ( 4.576 -1.491 -7.449) 8.868 4.074 ( 5.173 6.339 -5.405) 9.806 4.225 ( -5.535 -3.267 6.336) 9.025 4.696 ( 7.736 1.544 5.462) 9.595 4.783 ( 5.597 -5.175 -8.443) 11.375 5.128 ( -3.468 -5.799 -7.236) 9.900 5.465 ( 8.535 2.351 0.454) 8.865 5.586 ( 5.954 2.089 2.398) 6.750 7.035 ( 1.024 -0.633 2.572) 2.840 7.671 ( 6.060 1.660 1.968) 6.584 7.864 ( 4.646 2.765 -3.327) 6.348 8.130 ( -0.944 -0.328 0.325) 1.051 8.142 ( -0.302 -1.328 0.537) 1.464 8.303 ( 2.184 -1.639 1.201) 2.983 8.459 ( -6.442 1.241 0.599) 6.588 8.615 ( -5.025 0.208 0.787) 5.091 8.745 ( 4.468 0.250 -2.181) 4.979 9.113 ( -1.241 -0.966 5.985) 6.188 9.532 ( 10.727 1.171 -4.573) 11.720 9.706 ( 7.758 -0.619 1.398) 7.907 9.924 ( 2.938 -1.707 2.795) 4.400 10.120 ( -3.669 -0.840 -1.783) 4.165 10.231 ( 4.663 0.863 -2.137) 5.202 10.483 ( 2.339 -4.312 -5.003) 7.007 10.593 ( 5.656 5.553 6.287) 10.117 10.654 ( 1.018 -0.011 7.873) 7.939 11.161 ( 0.361 -2.971 0.199) 2.999 11.342 ( 0.837 6.292 -1.977) 6.649 11.440 ( 2.521 3.737 5.741) 7.299 11.494 ( -5.351 -2.593 -9.707) 11.384 11.737 ( 8.362 3.155 -0.892) 8.982 12.093 ( -6.265 -3.274 0.058) 7.069 12.222 ( -8.396 -1.796 -1.995) 8.815 12.765 ( -6.011 -1.782 -2.262) 6.665 12.983 ( -12.775 1.592 3.935) 13.462 13.400 ( 6.450 -1.621 -6.719) 9.454 13.587 ( 1.054 3.345 0.233) 3.515 13.892 ( -0.251 0.221 -0.142) 0.363 14.149 ( 1.368 -0.943 3.754) 4.105 14.495 ( 1.811 -0.993 5.288) 5.677 14.739 ( 0.361 0.416 -7.729) 7.749 15.211 ( -6.632 -2.481 -0.312) 7.088 16.276 ( 12.929 -3.210 -1.018) 13.360 16.637 ( -4.693 2.796 -9.695) 11.128 17.075 ( -3.269 4.761 5.945) 8.289 17.247 ( 3.051 -3.095 12.723) 13.445 17.711 ( -7.083 0.493 -5.802) 9.169 18.263 ( 0.743 -4.470 -3.637) 5.810 18.750 ( 0.113 3.558 3.307) 4.859 19.499 ( -3.024 -1.497 -0.428) 3.401 ======================= Grid point 32 (26/90) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -22.554 7.795 7.677) 25.068 1.792 ( -22.802 7.903 6.151) 24.905 2.300 ( 3.592 -0.340 -10.641) 11.236 2.639 ( 3.956 -4.823 -6.463) 8.983 3.008 ( -9.935 -0.633 12.307) 15.830 3.155 ( 5.774 0.811 -5.782) 8.212 3.321 ( -15.450 7.858 8.680) 19.386 3.354 ( -7.681 -0.588 3.443) 8.437 3.586 ( 2.518 -6.598 -0.387) 7.073 3.830 ( -1.654 5.363 5.489) 7.850 4.012 ( 3.676 -0.542 3.269) 4.949 4.108 ( 3.984 6.998 -4.279) 9.119 4.255 ( 3.849 -1.333 2.958) 5.034 4.662 ( 2.804 -6.238 -9.648) 11.826 4.871 ( 9.719 -5.529 -1.137) 11.240 4.935 ( -0.832 -4.357 -8.265) 9.380 5.548 ( 2.018 2.160 0.069) 2.957 5.746 ( 9.771 0.773 0.850) 9.838 7.063 ( -1.288 -0.664 3.319) 3.622 7.782 ( 4.822 1.533 1.062) 5.170 7.874 ( 2.011 1.086 -3.704) 4.352 8.082 ( -1.713 -2.844 -1.310) 3.570 8.146 ( 1.292 -1.050 0.036) 1.665 8.339 ( -0.274 -0.032 3.646) 3.657 8.462 ( -0.715 3.041 3.337) 4.571 8.545 ( -6.256 0.376 2.033) 6.588 8.768 ( 2.681 1.971 -5.213) 6.184 9.188 ( -0.903 2.197 7.526) 7.892 9.652 ( 9.170 3.820 -2.763) 10.311 9.818 ( 6.605 -1.974 -1.029) 6.970 9.888 ( -3.692 -5.134 -1.069) 6.414 10.077 ( 2.144 -0.172 0.287) 2.170 10.248 ( 6.091 -3.300 -6.891) 9.772 10.458 ( 1.912 -1.723 2.171) 3.368 10.621 ( -0.065 -6.993 3.485) 7.813 10.950 ( 10.251 5.327 10.971) 15.931 11.063 ( -9.385 1.198 -9.567) 13.455 11.265 ( -2.889 7.830 -5.942) 10.245 11.401 ( -0.807 3.440 -2.371) 4.255 11.603 ( 4.124 0.871 7.356) 8.478 11.839 ( 7.696 -2.761 -1.753) 8.362 11.974 ( -6.005 -5.136 0.623) 7.926 12.101 ( -5.031 2.378 -2.513) 6.106 12.620 ( -7.881 -1.921 -2.808) 8.584 12.905 ( -11.148 2.763 8.868) 14.511 13.356 ( 1.234 0.889 -7.868) 8.013 13.724 ( 9.955 3.723 2.034) 10.822 13.886 ( -1.049 2.392 -1.157) 2.856 14.204 ( 1.204 -2.095 4.978) 5.533 14.461 ( -3.960 -8.851 -1.746) 9.852 14.732 ( 3.757 7.081 -3.128) 8.605 15.079 ( -6.410 -4.550 -2.036) 8.120 16.364 ( 4.660 -0.419 -7.299) 8.670 16.517 ( 2.179 -1.321 -2.902) 3.862 17.163 ( 0.102 4.106 6.153) 7.398 17.395 ( 0.710 -4.396 9.537) 10.525 17.577 ( -6.807 3.858 0.718) 7.857 18.172 ( 0.089 -3.364 -7.527) 8.245 18.832 ( 1.744 1.974 3.968) 4.763 19.429 ( -4.304 -1.411 -0.852) 4.608 ======================= Grid point 35 (27/90) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -3.028 6.373 8.642) 11.157 2.032 ( 17.364 -6.177 -2.678) 18.624 2.178 ( -0.650 5.930 7.758) 9.786 2.508 ( 7.407 -4.875 0.866) 8.909 3.030 ( -5.143 -5.160 4.536) 8.582 3.228 ( 9.896 4.200 -6.588) 12.608 3.274 ( -5.758 -4.946 0.772) 7.630 3.508 ( -3.558 4.834 0.336) 6.012 3.822 ( 6.858 -3.510 -5.559) 9.500 3.869 ( -5.194 -1.369 -2.033) 5.743 4.051 ( -8.378 -6.692 -2.061) 10.919 4.137 ( -9.142 12.233 16.694) 22.626 4.204 ( 19.301 -3.975 -10.510) 22.334 4.330 ( -0.180 4.554 1.536) 4.809 4.753 ( -7.101 -3.493 3.510) 8.657 4.960 ( 11.169 6.257 -1.468) 12.886 5.518 ( -9.683 -2.458 -0.169) 9.991 5.694 ( 0.254 -4.142 -2.845) 5.031 7.106 ( 0.393 1.411 -2.932) 3.277 7.748 ( -3.956 -3.771 -0.521) 5.490 7.834 ( -1.200 -2.664 2.049) 3.569 8.090 ( 3.917 4.083 -1.177) 5.780 8.134 ( 0.715 1.235 -0.855) 1.664 8.374 ( -3.017 -3.398 -1.969) 4.952 8.520 ( 1.894 -1.164 -1.377) 2.615 8.597 ( -0.856 3.827 -0.159) 3.925 8.701 ( -0.389 -2.422 3.732) 4.466 9.299 ( -2.701 0.024 -5.388) 6.027 9.527 ( -6.321 -2.559 -4.501) 8.171 9.729 ( -8.539 2.200 -2.633) 9.203 9.866 ( 1.626 7.658 0.391) 7.839 10.122 ( 6.643 -7.838 3.796) 10.954 10.143 ( 3.168 -1.129 2.612) 4.258 10.437 ( -4.541 -2.091 -1.060) 5.111 10.611 ( 0.896 6.078 -2.478) 6.625 10.953 ( -11.012 -2.281 -9.194) 14.526 11.078 ( 9.456 3.295 11.416) 15.186 11.293 ( -3.597 -7.184 -2.503) 8.415 11.402 ( 0.438 -3.156 3.486) 4.722 11.653 ( -3.802 0.210 -7.562) 8.467 11.751 ( -0.419 -1.168 0.593) 1.375 11.986 ( 3.032 6.912 0.899) 7.601 12.162 ( 6.827 -3.095 3.945) 8.470 12.631 ( 4.039 3.498 5.031) 7.339 13.117 ( 5.979 -0.176 -5.900) 8.402 13.204 ( -7.870 2.008 8.283) 11.601 13.734 ( -0.228 -8.824 -3.444) 9.475 13.891 ( -0.174 -0.933 0.910) 1.315 14.206 ( -3.395 2.557 -3.378) 5.429 14.416 ( 3.948 7.226 3.474) 8.937 14.725 ( -3.421 -6.212 -0.742) 7.130 15.071 ( 4.050 7.428 3.366) 9.105 16.214 ( -7.991 3.590 -1.401) 8.872 16.554 ( 9.054 -4.796 3.470) 10.817 17.236 ( -0.868 -6.358 -1.129) 6.515 17.409 ( -1.252 2.846 -0.772) 3.203 17.749 ( 4.372 -1.110 -10.432) 11.365 18.016 ( -2.182 6.886 9.103) 11.620 18.873 ( -0.163 -4.397 -0.780) 4.469 19.430 ( 0.780 3.580 1.519) 3.966 ======================= Grid point 36 (28/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -0.203 7.142 13.117) 14.937 2.177 ( 16.038 -5.358 -4.054) 17.388 2.396 ( 5.467 8.771 12.808) 16.458 2.591 ( 9.864 -7.402 0.851) 12.361 2.961 ( -5.983 -2.879 2.319) 7.033 3.148 ( -6.262 -7.058 0.000) 9.435 3.274 ( 7.243 -0.617 -9.887) 12.272 3.523 ( -0.438 3.803 0.191) 3.833 3.715 ( -8.893 -2.634 -10.090) 13.705 3.798 ( -1.488 -0.508 1.641) 2.273 3.860 ( -8.142 -5.901 4.581) 11.050 4.326 ( 7.252 6.877 3.548) 10.605 4.347 ( 16.910 -1.810 -6.711) 18.283 4.480 ( 1.869 11.987 9.352) 15.318 4.629 ( -7.943 -1.413 -0.441) 8.080 5.145 ( 8.563 3.316 1.070) 9.245 5.324 ( -13.699 -4.534 -0.423) 14.436 5.620 ( 0.120 -4.664 -3.003) 5.548 7.067 ( -0.468 0.443 -5.044) 5.085 7.634 ( -5.471 -4.062 -2.675) 7.320 7.810 ( -2.802 -4.094 2.961) 5.777 8.142 ( 1.308 1.481 -1.135) 2.279 8.150 ( 1.778 3.435 -2.069) 4.387 8.295 ( -2.079 -2.794 -0.818) 3.578 8.518 ( -0.663 0.112 -0.530) 0.856 8.654 ( 3.157 1.671 4.086) 5.427 8.693 ( -0.496 -0.902 -0.526) 1.156 9.195 ( -2.325 0.769 -5.462) 5.986 9.403 ( -4.399 0.388 -3.235) 5.474 9.606 ( -7.040 3.566 -2.514) 8.283 9.901 ( -1.980 3.560 -4.010) 5.716 10.166 ( 3.235 -6.268 2.082) 7.355 10.189 ( 1.335 -5.108 3.716) 6.456 10.386 ( -3.585 -0.119 3.138) 4.766 10.615 ( -3.205 -3.433 -2.443) 5.294 10.725 ( -1.088 5.546 -10.088) 11.563 11.154 ( -4.473 -0.999 -3.882) 6.006 11.350 ( 0.307 -6.080 3.912) 7.236 11.390 ( 2.853 8.952 6.782) 11.588 11.520 ( -2.504 -4.719 -3.833) 6.575 11.710 ( -0.754 -9.344 0.659) 9.397 12.111 ( 3.941 6.961 1.462) 8.132 12.291 ( 7.713 0.125 3.508) 8.474 12.769 ( 2.857 3.373 3.873) 5.877 13.126 ( -1.660 3.236 -0.370) 3.656 13.226 ( 0.496 0.554 4.459) 4.521 13.673 ( 4.513 -7.762 -0.271) 8.983 13.899 ( 1.044 -1.358 1.159) 2.068 14.137 ( -4.361 2.214 -3.008) 5.742 14.493 ( -2.832 5.986 -4.497) 8.005 14.676 ( 0.769 -4.255 6.184) 7.545 15.222 ( 3.618 8.054 2.631) 9.212 16.122 ( -6.630 2.548 -1.249) 7.212 16.671 ( 7.377 -5.913 4.032) 10.278 17.169 ( 0.352 -8.181 0.581) 8.209 17.317 ( -5.103 2.909 -9.559) 11.219 17.764 ( 5.573 1.952 -1.927) 6.212 18.140 ( -1.047 8.274 6.360) 10.488 18.822 ( 0.765 -6.395 -1.202) 6.552 19.490 ( 0.531 4.079 1.541) 4.393 ======================= Grid point 37 (29/90) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 7.638 -2.496 -2.068) 8.297 2.309 ( 3.556 7.244 11.036) 13.672 2.668 ( 10.770 -6.660 0.096) 12.663 2.703 ( 6.243 7.821 12.368) 15.910 2.892 ( -7.559 0.846 2.895) 8.139 3.010 ( -4.625 -6.160 -1.489) 7.846 3.210 ( 3.055 -3.627 -8.231) 9.499 3.381 ( -8.129 -6.620 -13.025) 16.720 3.537 ( -1.043 -1.610 -2.476) 3.132 3.793 ( -6.239 -1.648 4.180) 7.688 3.908 ( 2.886 5.577 10.113) 11.904 4.380 ( -6.174 -1.917 -8.351) 10.561 4.462 ( 5.721 5.035 0.066) 7.622 4.562 ( 17.022 0.402 -4.929) 17.726 4.786 ( -0.393 11.149 12.638) 16.857 5.105 ( -8.075 -6.577 -0.942) 10.457 5.200 ( -2.984 -1.530 -1.327) 3.607 5.602 ( 3.036 -0.579 0.032) 3.091 6.997 ( -1.020 -0.819 -4.138) 4.340 7.501 ( -4.738 -2.824 -2.465) 6.042 7.773 ( -2.051 -2.893 1.552) 3.872 8.122 ( -1.044 -0.621 -2.051) 2.384 8.185 ( 2.098 3.830 -0.785) 4.438 8.273 ( 1.700 -2.895 0.613) 3.413 8.440 ( -8.281 -0.658 -1.062) 8.374 8.665 ( -0.458 1.856 -1.325) 2.326 8.848 ( 11.827 0.477 6.183) 13.354 9.148 ( -0.239 1.581 -1.644) 2.294 9.328 ( -4.450 5.645 -1.991) 7.459 9.556 ( -1.754 1.027 -0.107) 2.035 9.738 ( -9.358 -4.110 -9.112) 13.693 10.181 ( 1.529 -2.445 0.345) 2.904 10.209 ( 1.616 -4.077 3.774) 5.786 10.383 ( -4.991 -2.360 6.541) 8.560 10.466 ( -0.277 0.436 -9.664) 9.678 10.759 ( 4.435 2.148 -0.121) 4.929 11.049 ( -6.007 2.365 -3.355) 7.276 11.313 ( 0.428 1.430 -1.430) 2.067 11.424 ( -0.928 -2.364 -2.963) 3.903 11.532 ( -2.440 -1.405 0.641) 2.887 11.670 ( 2.409 -6.964 7.222) 10.318 12.203 ( 1.919 2.756 0.852) 3.464 12.437 ( 6.360 1.947 2.587) 7.137 12.816 ( -2.132 1.155 1.199) 2.706 13.153 ( 0.125 3.889 2.133) 4.437 13.312 ( 4.901 0.359 1.827) 5.243 13.697 ( 2.523 -2.884 1.340) 4.059 13.933 ( 3.133 -2.732 2.827) 5.027 14.055 ( -3.944 1.650 -3.558) 5.562 14.392 ( -5.035 0.466 -4.188) 6.566 14.758 ( 1.468 0.563 4.343) 4.619 15.338 ( 2.101 5.513 1.283) 6.038 16.052 ( -3.653 0.798 -0.964) 3.862 16.746 ( 3.592 -5.301 4.011) 7.555 17.120 ( -1.984 -3.857 -2.814) 5.170 17.182 ( -0.288 1.724 -5.309) 5.589 17.818 ( 1.313 1.615 0.112) 2.084 18.261 ( 0.773 6.643 3.909) 7.747 18.772 ( 1.019 -5.435 -1.285) 5.677 19.534 ( 0.119 2.483 0.817) 2.617 ======================= Grid point 38 (30/90) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.000 -0.000 0.000) 0.000 2.457 ( 0.000 -0.000 -0.000) 0.000 2.732 ( 0.000 0.000 -0.000) 0.000 2.823 ( 0.000 -0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 -0.000 -0.000) 0.000 3.180 ( 0.000 -0.000 -0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 -0.000) 0.000 4.096 ( 0.000 -0.000 -0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.570 ( -0.000 -0.000 -0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.905 ( 0.000 0.000 0.000) 0.000 5.069 ( -0.000 -0.000 -0.000) 0.000 5.091 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 -0.000 -0.000) 0.000 7.439 ( 0.000 -0.000 -0.000) 0.000 7.756 ( 0.000 -0.000 0.000) 0.000 8.095 ( 0.000 0.000 -0.000) 0.000 8.227 ( 0.000 -0.000 -0.000) 0.000 8.298 ( 0.000 -0.000 0.000) 0.000 8.331 ( -0.000 0.000 -0.000) 0.000 8.664 ( 0.000 -0.000 0.000) 0.000 9.002 ( 0.000 -0.000 -0.000) 0.000 9.138 ( -0.000 -0.000 0.000) 0.000 9.411 ( -0.000 -0.000 -0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 -0.000 -0.000) 0.000 10.232 ( 0.000 -0.000 -0.000) 0.000 10.369 ( -0.000 -0.000 0.000) 0.000 10.418 ( 0.000 0.000 -0.000) 0.000 10.811 ( 0.000 -0.000 0.000) 0.000 10.984 ( -0.000 -0.000 -0.000) 0.000 11.327 ( 0.000 -0.000 -0.000) 0.000 11.399 ( 0.000 0.000 -0.000) 0.000 11.469 ( -0.000 -0.000 0.000) 0.000 11.722 ( 0.000 -0.000 0.000) 0.000 12.230 ( 0.000 0.000 -0.000) 0.000 12.510 ( 0.000 -0.000 -0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 -0.000 -0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 -0.000) 0.000 14.002 ( 0.000 -0.000 0.000) 0.000 14.325 ( 0.000 -0.000 -0.000) 0.000 14.797 ( 0.000 -0.000 -0.000) 0.000 15.383 ( 0.000 0.000 -0.000) 0.000 16.023 ( 0.000 -0.000 0.000) 0.000 16.777 ( 0.000 -0.000 -0.000) 0.000 17.050 ( 0.000 0.000 0.000) 0.000 17.176 ( 0.000 0.000 -0.000) 0.000 17.831 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 -0.000 -0.000) 0.000 18.747 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 76 (31/90) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.000 0.000 27.095) 27.095 0.994 ( -0.000 0.000 27.095) 27.095 1.751 ( -0.000 0.000 48.062) 48.062 2.768 ( -0.000 0.000 11.878) 11.878 2.768 ( -0.000 0.000 11.878) 11.878 2.951 ( -0.000 0.000 2.027) 2.027 3.435 ( -0.000 0.000 1.071) 1.071 3.747 ( 0.000 -0.000 -4.887) 4.887 3.747 ( 0.000 -0.000 -4.887) 4.887 3.949 ( 0.000 -0.000 -5.858) 5.858 3.949 ( 0.000 -0.000 -5.858) 5.858 3.985 ( 0.000 -0.000 -4.673) 4.673 4.554 ( -0.000 0.000 2.286) 2.286 4.587 ( 0.000 -0.000 -4.445) 4.445 4.587 ( 0.000 -0.000 -4.445) 4.445 5.448 ( 0.000 -0.000 -2.836) 2.836 5.852 ( 0.000 -0.000 -8.389) 8.389 5.852 ( 0.000 -0.000 -8.389) 8.389 6.986 ( -0.000 0.000 4.858) 4.858 7.970 ( 0.000 0.000 0.498) 0.498 7.970 ( -0.000 -0.000 0.498) 0.498 8.149 ( -0.000 0.000 1.138) 1.138 8.149 ( -0.000 -0.000 1.138) 1.138 8.241 ( 0.000 -0.000 -5.412) 5.412 8.413 ( 0.000 0.000 2.064) 2.064 8.413 ( -0.000 0.000 2.064) 2.064 9.024 ( 0.000 0.000 0.312) 0.312 9.024 ( -0.000 -0.000 0.312) 0.312 9.101 ( 0.000 -0.000 -12.150) 12.150 9.982 ( 0.000 -0.000 -2.587) 2.587 9.982 ( 0.000 -0.000 -2.587) 2.587 10.270 ( 0.000 -0.000 -6.418) 6.418 10.270 ( 0.000 -0.000 -6.418) 6.418 10.537 ( 0.000 -0.000 -5.493) 5.493 10.646 ( -0.000 0.000 13.902) 13.902 11.022 ( 0.000 -0.000 -3.744) 3.744 11.022 ( 0.000 -0.000 -3.744) 3.744 11.228 ( 0.000 -0.000 -9.132) 9.132 11.558 ( -0.000 0.000 1.574) 1.574 11.558 ( -0.000 0.000 1.574) 1.574 11.686 ( -0.000 0.000 8.431) 8.431 11.816 ( -0.000 0.000 8.203) 8.203 12.331 ( -0.000 0.000 5.736) 5.736 12.331 ( -0.000 0.000 5.736) 5.736 12.614 ( -0.000 0.000 5.660) 5.660 13.595 ( 0.000 -0.000 -3.797) 3.797 13.802 ( -0.000 0.000 2.965) 2.965 13.802 ( -0.000 0.000 2.965) 2.965 14.308 ( 0.000 -0.000 -5.410) 5.410 14.308 ( 0.000 -0.000 -5.410) 5.410 14.828 ( 0.000 0.000 -0.533) 0.533 14.828 ( 0.000 -0.000 -0.533) 0.533 15.948 ( -0.000 0.000 1.301) 1.301 17.297 ( 0.000 0.000 0.611) 0.611 17.297 ( -0.000 -0.000 0.611) 0.611 17.428 ( -0.000 0.000 5.385) 5.385 17.428 ( -0.000 0.000 5.385) 5.385 17.803 ( 0.000 -0.000 -11.778) 11.778 19.101 ( -0.000 0.000 1.394) 1.394 19.137 ( -0.000 0.000 3.445) 3.445 ======================= Grid point 77 (32/90) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 3.414 5.371 24.422) 25.238 1.399 ( 11.097 1.675 23.701) 26.224 2.424 ( 14.217 8.582 38.280) 41.727 2.693 ( -11.824 -8.402 8.012) 16.571 2.997 ( -3.419 4.176 7.361) 9.128 3.051 ( 8.325 0.565 7.891) 11.485 3.383 ( -5.005 -4.654 1.098) 6.922 3.567 ( -8.416 -4.461 -3.279) 10.074 3.689 ( -7.222 3.804 -3.561) 8.905 3.825 ( 3.898 -8.683 -11.540) 14.959 3.927 ( 3.941 2.651 -0.762) 4.810 4.047 ( 5.433 8.505 -4.285) 10.964 4.416 ( -7.931 -1.239 -4.522) 9.213 4.534 ( 2.306 -6.074 -1.822) 6.747 4.694 ( 8.074 6.846 -3.101) 11.031 5.313 ( -11.294 -5.792 -4.296) 13.400 5.662 ( -5.629 -3.907 -9.260) 11.520 5.814 ( 3.148 2.240 -7.267) 8.230 7.049 ( 1.006 0.593 3.476) 3.667 7.873 ( -5.212 -1.721 -2.750) 6.140 8.015 ( -0.144 1.639 -2.605) 3.081 8.057 ( -2.537 -5.776 -0.628) 6.340 8.197 ( -0.760 1.900 -1.687) 2.652 8.248 ( 5.511 2.593 2.018) 6.417 8.379 ( -1.824 0.226 2.349) 2.982 8.541 ( 7.531 0.598 1.163) 7.644 8.819 ( -10.298 -3.598 -3.121) 11.346 9.094 ( 6.384 1.049 -1.809) 6.717 9.180 ( 10.302 7.846 -4.708) 13.779 9.860 ( -6.267 0.674 -9.498) 11.400 9.955 ( 2.806 -3.714 -8.148) 9.384 10.187 ( -1.664 -2.995 -0.383) 3.448 10.285 ( 3.807 4.701 -0.033) 6.050 10.535 ( 6.499 3.543 -8.084) 10.961 10.728 ( -6.308 -2.253 5.883) 8.915 10.878 ( -12.164 1.289 -4.793) 13.137 10.970 ( 3.704 -6.754 3.396) 8.418 11.215 ( 7.469 4.452 -7.360) 11.392 11.506 ( -5.082 -1.839 1.386) 5.579 11.590 ( 1.946 -2.170 1.089) 3.111 11.807 ( 0.084 2.140 6.427) 6.774 11.891 ( -2.011 -1.717 6.460) 6.981 12.386 ( 0.897 -5.765 7.786) 9.730 12.491 ( 3.273 8.132 6.588) 10.966 12.690 ( 3.160 2.126 5.493) 6.684 13.460 ( -9.375 -4.002 0.109) 10.194 13.829 ( 1.030 -1.811 2.353) 3.143 13.913 ( 4.338 2.573 2.329) 5.555 14.186 ( -2.428 0.097 -6.928) 7.342 14.298 ( 2.856 1.120 -4.742) 5.648 14.807 ( -0.188 -0.060 0.937) 0.958 14.858 ( 1.761 1.002 0.019) 2.026 15.998 ( 3.284 1.852 0.138) 3.773 17.121 ( -14.673 -7.032 -0.714) 16.287 17.328 ( 1.893 -3.214 1.619) 4.067 17.421 ( -3.544 -0.102 3.163) 4.752 17.595 ( 5.921 3.151 8.111) 10.525 17.755 ( 7.258 4.984 -12.301) 15.127 19.076 ( -4.013 -1.973 1.318) 4.662 19.220 ( 3.722 2.432 3.787) 5.840 ======================= Grid point 78 (33/90) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 6.369 6.767 20.711) 22.700 1.835 ( 13.506 3.232 18.884) 23.441 2.470 ( -16.145 -9.757 1.411) 18.917 2.838 ( -9.038 -9.112 5.139) 13.825 3.121 ( 8.734 -1.009 8.095) 11.951 3.146 ( -3.782 5.426 0.761) 6.658 3.334 ( -1.666 2.416 4.407) 5.295 3.476 ( -6.063 0.931 3.570) 7.097 3.636 ( 5.732 -3.403 8.134) 10.517 3.769 ( 6.470 2.823 -5.252) 8.799 3.966 ( 0.601 1.888 -1.083) 2.258 4.128 ( 1.339 9.874 -2.522) 10.279 4.280 ( -0.994 -3.555 -4.105) 5.520 4.474 ( -2.192 -5.128 -4.671) 7.275 4.805 ( 6.820 2.916 -4.264) 8.556 5.009 ( -14.970 -9.706 -1.970) 17.949 5.487 ( -1.963 -0.273 -5.978) 6.298 5.773 ( 0.126 0.562 -6.538) 6.564 7.086 ( 0.425 0.627 0.097) 0.764 7.774 ( -2.416 -0.397 -3.231) 4.054 7.946 ( -5.571 1.164 -0.202) 5.695 8.010 ( 4.228 -6.227 -3.445) 8.278 8.164 ( -2.293 0.806 -2.124) 3.228 8.360 ( 3.524 4.229 0.956) 5.587 8.450 ( 4.785 2.100 2.674) 5.870 8.602 ( 0.451 -2.332 -2.677) 3.579 8.690 ( -2.522 -0.254 2.802) 3.779 9.179 ( 6.865 4.151 -1.652) 8.191 9.348 ( 13.064 8.218 -4.437) 16.059 9.632 ( -6.474 -0.924 -12.798) 14.372 9.865 ( 0.203 -3.256 -4.583) 5.625 10.160 ( -0.034 -4.762 2.196) 5.244 10.390 ( 3.405 5.544 0.651) 6.538 10.475 ( -6.632 -3.994 -2.730) 8.209 10.621 ( -9.081 -0.938 -1.712) 9.288 10.777 ( 5.349 5.726 -6.637) 10.268 11.057 ( 4.635 -5.302 6.002) 9.253 11.272 ( 6.076 6.726 -5.674) 10.694 11.446 ( -3.250 -1.446 0.518) 3.595 11.607 ( 1.489 -3.145 1.432) 3.763 11.822 ( -5.054 -3.909 3.110) 7.106 11.922 ( -0.099 0.332 3.440) 3.458 12.390 ( -7.159 -3.902 6.223) 10.257 12.618 ( 0.425 1.293 6.791) 6.926 12.919 ( 11.336 8.889 5.607) 15.458 13.326 ( -9.787 -3.328 3.923) 11.056 13.840 ( 0.896 -1.238 -1.628) 2.233 13.948 ( -2.296 -3.426 1.829) 4.512 14.104 ( 1.610 3.112 -7.548) 8.322 14.314 ( 3.267 0.023 -0.339) 3.284 14.833 ( -2.761 4.810 2.913) 6.264 14.907 ( 5.851 -2.385 1.111) 6.415 16.056 ( 3.809 2.387 -0.633) 4.539 16.870 ( -13.549 -6.938 1.354) 15.282 17.336 ( 0.096 -4.085 1.484) 4.347 17.382 ( -2.133 -0.594 -2.581) 3.401 17.736 ( 3.148 4.880 -10.107) 11.657 17.813 ( 7.413 3.240 9.282) 12.312 19.005 ( -5.030 -2.449 0.032) 5.594 19.336 ( 3.737 2.414 3.547) 5.689 ======================= Grid point 79 (34/90) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -1.569 -0.951 10.307) 10.469 2.145 ( -15.004 -7.636 -1.266) 16.883 2.216 ( 6.105 1.756 14.823) 16.127 2.625 ( -10.025 -5.663 2.826) 11.856 3.048 ( 0.621 -13.312 -6.649) 14.893 3.123 ( -1.268 4.967 -2.245) 5.597 3.380 ( -5.163 2.789 2.979) 6.581 3.488 ( -0.721 2.323 -0.170) 2.438 3.792 ( -0.085 -0.963 -4.026) 4.141 3.861 ( 3.998 7.390 -1.167) 8.483 4.134 ( -3.647 2.467 -0.795) 4.474 4.149 ( -4.713 -8.834 -1.239) 10.089 4.207 ( -0.916 2.244 3.356) 4.140 4.273 ( 7.438 1.997 7.149) 10.508 4.800 ( 1.399 -4.035 -4.230) 6.011 4.861 ( -0.372 -1.903 2.962) 3.540 5.512 ( 5.875 5.908 -1.242) 8.424 5.681 ( -1.545 -0.802 -5.658) 5.920 7.073 ( -0.562 0.541 -2.428) 2.550 7.735 ( 1.107 0.469 -2.457) 2.736 7.898 ( -0.961 -2.251 0.539) 2.506 8.006 ( 2.791 -0.017 -0.996) 2.963 8.129 ( -0.234 1.098 -1.537) 1.903 8.393 ( -1.631 3.355 -3.290) 4.974 8.521 ( -1.679 -2.556 -0.202) 3.065 8.540 ( 2.578 -1.196 -0.180) 2.848 8.766 ( 2.541 2.531 4.879) 6.055 9.240 ( -1.356 3.771 -7.773) 8.745 9.465 ( 6.233 6.978 -5.442) 10.824 9.565 ( 14.235 4.354 -4.001) 15.414 9.819 ( 0.759 -2.848 0.231) 2.957 10.158 ( 0.730 -3.948 2.319) 4.636 10.297 ( -11.835 -4.399 3.061) 12.991 10.440 ( -0.340 2.574 -4.003) 4.772 10.526 ( -0.450 -1.792 0.081) 1.849 10.844 ( 7.604 7.471 -8.221) 13.462 11.120 ( 2.009 -4.533 3.995) 6.368 11.355 ( 6.059 6.247 -3.890) 9.533 11.417 ( -1.406 0.885 0.900) 1.889 11.599 ( -0.567 -3.915 -0.397) 3.975 11.755 ( -2.655 -3.940 2.681) 5.455 11.946 ( -0.552 0.044 0.740) 0.924 12.313 ( -9.639 -1.954 5.160) 11.107 12.692 ( -2.184 -1.315 7.274) 7.708 13.081 ( -1.867 -2.788 -1.631) 3.731 13.311 ( 0.078 6.326 8.915) 10.932 13.783 ( -1.806 -1.201 -4.300) 4.816 13.896 ( -2.169 0.456 -1.731) 2.813 14.093 ( 4.629 -0.922 -4.505) 6.525 14.358 ( 2.474 -2.160 2.175) 3.939 14.862 ( -4.899 6.964 3.212) 9.100 14.994 ( 5.955 -4.853 3.589) 8.479 16.145 ( 6.972 4.651 0.035) 8.381 16.709 ( -10.231 -4.051 6.181) 12.622 17.243 ( -2.300 -4.267 -8.782) 10.031 17.345 ( 0.475 -2.387 -0.713) 2.536 17.684 ( -1.730 3.216 -5.543) 6.638 18.040 ( 6.680 3.328 8.513) 11.321 18.907 ( -4.493 -2.700 -2.426) 5.776 19.422 ( 1.346 0.684 3.026) 3.382 ======================= Grid point 80 (35/90) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -22.591 -10.631 -3.459) 25.206 1.875 ( -17.967 -15.443 -1.934) 23.771 2.458 ( -0.149 3.695 13.775) 14.262 2.642 ( 2.478 2.091 -1.585) 3.609 2.922 ( -1.925 -5.792 1.476) 6.279 3.174 ( 6.987 2.450 0.491) 7.421 3.344 ( -18.698 -13.832 -4.160) 23.627 3.396 ( -7.387 2.021 -3.030) 8.236 3.548 ( -2.198 1.320 0.149) 2.568 3.801 ( -4.821 -5.447 -8.044) 10.846 3.973 ( 2.793 2.993 -0.799) 4.170 4.136 ( 3.004 1.997 -8.812) 9.522 4.292 ( 0.173 8.227 7.912) 11.416 4.678 ( 0.655 -8.246 3.325) 8.915 4.771 ( 17.465 2.006 11.824) 21.186 4.966 ( 2.994 8.308 0.890) 8.876 5.539 ( 0.719 -0.043 -2.944) 3.030 5.703 ( 7.092 5.531 -2.823) 9.427 7.042 ( -0.857 0.180 -1.180) 1.470 7.737 ( 2.930 0.022 -2.676) 3.968 7.915 ( 2.190 0.162 2.576) 3.385 8.050 ( 2.859 1.399 -0.136) 3.186 8.137 ( 1.708 1.717 -1.209) 2.707 8.324 ( -3.787 0.490 -2.715) 4.685 8.471 ( -1.798 -4.669 0.868) 5.078 8.526 ( -2.189 0.488 -3.025) 3.766 8.861 ( -0.609 2.956 3.983) 4.997 9.107 ( -0.760 0.811 -8.857) 8.926 9.663 ( 12.553 10.787 0.130) 16.552 9.705 ( 8.695 2.237 -5.183) 10.367 9.861 ( 4.047 -1.935 4.337) 6.239 10.116 ( -5.943 -0.731 0.866) 6.050 10.280 ( 2.451 0.852 7.041) 7.504 10.391 ( 2.588 -1.259 -4.266) 5.146 10.517 ( 0.450 -3.064 -0.638) 3.162 10.889 ( 4.238 7.073 -7.547) 11.178 11.149 ( -0.493 -0.163 3.269) 3.310 11.391 ( 3.446 -1.375 -3.527) 5.119 11.447 ( -3.426 0.246 4.926) 6.005 11.533 ( 0.045 -0.381 -4.136) 4.153 11.789 ( 4.394 0.795 2.723) 5.230 11.922 ( -1.498 -0.579 -1.768) 2.389 12.231 ( -8.755 -2.037 4.442) 10.026 12.689 ( -6.926 -4.127 5.667) 9.855 12.907 ( -10.644 -7.208 -2.816) 13.160 13.454 ( -0.661 1.855 5.171) 5.534 13.751 ( 1.438 6.832 -1.958) 7.251 13.865 ( 3.338 0.713 -5.800) 6.730 14.087 ( 2.505 -2.046 -2.809) 4.283 14.400 ( 2.171 -3.269 3.542) 5.286 14.883 ( -4.203 5.549 2.267) 7.321 15.043 ( 0.755 -5.891 4.036) 7.181 16.335 ( 12.432 7.628 2.324) 14.769 16.674 ( -7.901 -1.258 11.498) 14.008 17.038 ( -0.995 -5.296 -15.558) 16.464 17.320 ( -1.020 -0.370 -1.124) 1.562 17.619 ( -4.079 -0.747 -0.552) 4.183 18.219 ( 3.276 2.495 6.112) 7.370 18.798 ( -2.162 -2.177 -4.562) 5.497 19.445 ( -2.102 -1.552 2.293) 3.477 ======================= Grid point 81 (36/90) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -24.129 -11.363 -0.970) 26.688 1.435 ( -22.781 -18.643 -1.748) 29.489 2.554 ( -12.096 -6.256 -6.375) 15.037 2.556 ( -26.608 -13.783 2.601) 30.079 2.605 ( -7.952 -3.904 9.017) 12.641 3.041 ( -0.836 -1.197 1.644) 2.198 3.338 ( 9.847 2.015 1.642) 10.184 3.474 ( 5.515 6.955 1.736) 9.044 3.613 ( -1.666 -1.127 -7.492) 7.757 3.664 ( 6.225 3.860 2.709) 7.810 3.967 ( 1.955 -0.531 -4.188) 4.652 4.167 ( 5.834 5.526 -3.228) 8.659 4.443 ( -1.776 6.707 6.652) 9.612 4.592 ( 1.500 -10.001 -0.803) 10.145 4.969 ( -2.118 -0.124 -4.413) 4.896 5.169 ( 10.999 7.868 7.507) 15.467 5.608 ( 9.617 3.298 0.552) 10.181 5.787 ( 5.991 5.191 -4.812) 9.273 7.023 ( -2.319 -1.194 1.546) 3.032 7.758 ( 4.132 1.967 -2.904) 5.420 7.981 ( 1.254 0.263 1.036) 1.648 8.077 ( 1.779 0.214 -0.169) 1.800 8.173 ( 2.234 1.623 0.431) 2.795 8.270 ( -1.505 -1.672 0.506) 2.306 8.402 ( -5.581 0.831 -2.887) 6.338 8.460 ( -1.666 -4.150 1.487) 4.712 8.884 ( -1.867 4.053 -0.013) 4.462 9.063 ( 3.551 -0.243 -4.188) 5.496 9.717 ( 2.208 -1.166 -5.409) 5.957 9.874 ( 2.133 4.165 6.249) 7.807 9.983 ( 4.979 1.124 2.576) 5.718 10.125 ( 11.156 6.275 -2.617) 13.064 10.320 ( 1.187 2.515 -4.151) 4.997 10.435 ( -2.387 -3.557 4.088) 5.921 10.587 ( 12.451 3.287 4.833) 13.755 10.891 ( 0.279 7.598 -7.028) 10.353 11.168 ( -3.507 2.519 -0.402) 4.336 11.323 ( -0.786 -9.637 0.681) 9.693 11.445 ( 3.114 0.875 -7.707) 8.358 11.541 ( -0.073 -0.356 6.834) 6.844 11.810 ( -4.792 -1.287 -2.147) 5.406 11.968 ( 8.657 4.624 1.296) 9.900 12.136 ( -8.328 -3.047 1.391) 8.977 12.550 ( -14.591 -9.704 3.681) 17.906 12.689 ( -9.672 -4.942 0.097) 10.862 13.473 ( 0.531 0.711 -0.496) 1.017 13.800 ( 0.656 4.179 -3.412) 5.435 13.890 ( 7.723 0.832 -3.596) 8.560 14.083 ( 0.823 1.169 0.110) 1.433 14.443 ( 0.267 -1.246 3.746) 3.957 14.873 ( -1.928 0.751 -1.736) 2.701 15.028 ( -3.846 -3.796 4.125) 6.798 16.632 ( 16.266 9.452 2.037) 18.923 16.673 ( -8.230 -4.205 2.318) 9.528 16.852 ( 2.025 -0.588 -4.377) 4.858 17.291 ( -1.903 2.435 -1.463) 3.419 17.553 ( -4.795 -5.443 3.569) 8.084 18.279 ( -2.789 -0.712 1.787) 3.388 18.743 ( 2.411 1.026 -3.101) 4.060 19.396 ( -5.490 -3.247 1.328) 6.515 ======================= Grid point 82 (37/90) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -21.438 -13.811 6.766) 26.383 0.996 ( -23.036 -18.157 7.477) 30.270 1.876 ( -45.743 -23.562 17.629) 54.391 2.466 ( 1.551 -0.606 -3.560) 3.930 2.682 ( -4.653 -0.649 12.331) 13.196 3.016 ( -2.544 -2.782 0.391) 3.789 3.399 ( -0.085 2.416 -6.019) 6.487 3.554 ( 11.740 2.746 -4.457) 12.854 3.715 ( 6.547 5.846 6.148) 10.716 3.808 ( 3.029 9.409 -0.782) 9.915 3.960 ( 6.114 -3.504 -3.761) 7.987 4.266 ( 6.658 2.053 -0.579) 6.992 4.398 ( -8.093 -3.322 0.298) 8.753 4.629 ( 3.703 1.391 1.279) 4.158 4.836 ( -5.220 -2.452 -5.844) 8.211 5.366 ( 5.622 5.164 -0.509) 7.651 5.787 ( 11.847 2.384 -1.569) 12.186 5.855 ( 5.352 6.408 -3.827) 9.185 6.988 ( -4.350 -2.572 2.875) 5.814 7.812 ( 4.095 4.365 -1.279) 6.121 7.960 ( -0.106 -3.557 -0.655) 3.619 8.111 ( -0.136 1.648 0.790) 1.832 8.211 ( 1.409 0.582 -1.067) 1.861 8.234 ( -4.545 0.129 -0.354) 4.561 8.337 ( 0.292 -0.618 1.784) 1.910 8.454 ( -0.223 -5.173 4.705) 6.996 8.907 ( 1.081 6.348 -1.816) 6.691 9.064 ( 3.370 -1.553 -3.058) 4.808 9.604 ( -5.652 -4.286 -6.933) 9.919 9.976 ( 2.035 6.684 -1.164) 7.084 10.039 ( 2.332 -1.456 3.762) 4.659 10.295 ( 7.191 -1.468 -1.856) 7.570 10.414 ( 1.190 -1.056 2.639) 3.082 10.465 ( 13.615 11.540 0.401) 17.852 10.806 ( -2.486 2.184 -5.387) 6.323 10.847 ( 2.942 10.726 -3.438) 11.642 11.037 ( -8.610 -3.662 -2.679) 9.732 11.290 ( 9.538 -13.459 -7.655) 18.186 11.378 ( 4.233 2.064 -5.788) 7.462 11.663 ( 2.304 -1.304 8.257) 8.671 11.700 ( -9.922 2.734 1.996) 10.483 11.967 ( -11.443 -4.406 -3.205) 12.673 12.138 ( 7.712 2.047 2.612) 8.396 12.338 ( -13.860 -8.080 10.883) 19.386 12.576 ( -5.274 -3.535 2.771) 6.928 13.478 ( 3.768 4.216 -7.213) 9.165 13.788 ( 0.460 -1.445 -0.646) 1.648 13.930 ( 3.727 -0.906 -3.854) 5.437 14.150 ( 2.896 3.943 3.577) 6.060 14.462 ( -3.714 1.505 2.879) 4.934 14.811 ( 1.154 -2.492 -5.554) 6.196 14.981 ( -5.923 -2.217 2.750) 6.896 16.406 ( -6.961 -5.557 -17.653) 19.773 16.954 ( 12.252 7.811 3.692) 14.992 16.983 ( 6.845 3.676 10.936) 13.415 17.280 ( -1.093 3.162 -0.429) 3.373 17.492 ( -5.171 -7.486 6.288) 11.060 18.193 ( -6.038 -3.614 -2.233) 7.383 18.816 ( 5.335 5.093 2.682) 7.849 19.286 ( -7.757 -3.805 0.275) 8.644 ======================= Grid point 85 (38/90) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 2.481 3.980 22.753) 23.231 1.663 ( -3.125 8.712 22.163) 24.018 2.793 ( 1.521 2.907 20.807) 21.064 2.850 ( -3.962 -9.273 7.918) 12.821 3.013 ( 2.199 3.768 13.579) 14.263 3.157 ( -0.331 -0.119 2.153) 2.182 3.396 ( 1.277 -5.399 5.166) 7.581 3.547 ( 2.345 -9.051 -6.696) 11.500 3.629 ( -3.605 -0.702 0.716) 3.742 3.777 ( -0.156 -0.113 -7.479) 7.482 3.850 ( -1.428 2.316 -2.617) 3.775 4.019 ( 4.405 9.896 0.320) 10.837 4.401 ( 4.485 -3.995 -3.795) 7.105 4.473 ( -9.047 -0.718 -5.411) 10.566 4.638 ( 2.429 6.874 -2.995) 7.882 5.291 ( 0.052 -9.214 -3.937) 10.020 5.588 ( -0.355 -3.313 -8.708) 9.324 5.687 ( 0.439 1.839 -8.033) 8.253 7.081 ( 0.106 0.786 1.373) 1.586 7.841 ( 2.439 -5.455 -4.489) 7.473 7.922 ( -2.355 -6.327 -3.420) 7.568 8.084 ( -1.682 2.218 -3.037) 4.120 8.152 ( 1.002 -0.840 -0.435) 1.378 8.274 ( 0.711 4.336 1.444) 4.625 8.432 ( 2.504 0.689 1.853) 3.190 8.518 ( -4.022 4.689 -1.097) 6.274 8.836 ( 3.050 -4.689 -1.216) 5.725 9.005 ( -3.516 1.335 -0.473) 3.790 9.155 ( 1.629 11.153 -4.532) 12.148 9.721 ( 2.242 -5.176 -11.644) 12.938 9.877 ( -2.587 4.088 -9.617) 10.765 10.238 ( -3.427 -0.521 2.552) 4.305 10.292 ( 3.000 2.735 3.921) 5.644 10.411 ( 0.073 2.089 -6.535) 6.861 10.765 ( -0.496 -7.896 -4.370) 9.038 10.828 ( 8.604 -6.760 1.688) 11.071 10.997 ( -10.983 2.597 -7.577) 13.593 11.129 ( 3.723 7.697 0.980) 8.606 11.537 ( 3.329 -4.847 1.272) 6.016 11.557 ( -4.265 -3.374 0.327) 5.448 11.920 ( 0.514 4.536 6.433) 7.888 11.975 ( -0.632 -5.290 6.797) 8.637 12.452 ( -2.251 -3.227 7.101) 8.118 12.597 ( 2.275 8.415 7.410) 11.442 12.734 ( 1.069 2.723 4.424) 5.304 13.488 ( 0.951 -8.089 4.118) 9.127 13.870 ( 1.017 -0.753 -1.887) 2.272 13.909 ( -3.262 1.107 4.998) 6.070 14.106 ( 1.401 -2.409 -5.356) 6.037 14.261 ( -0.439 6.683 -4.240) 7.927 14.785 ( 0.407 -3.876 2.037) 4.398 14.904 ( -0.346 6.891 0.832) 6.949 16.006 ( 0.042 2.327 0.892) 2.492 17.184 ( 5.524 -11.859 -2.230) 13.271 17.239 ( -6.962 -4.880 -0.687) 8.530 17.442 ( 0.347 -8.328 4.209) 9.338 17.642 ( 0.991 12.623 -9.795) 16.008 17.707 ( -0.114 10.345 6.618) 12.281 19.080 ( 0.168 -4.784 0.191) 4.791 19.273 ( 0.105 4.433 4.657) 6.430 ======================= Grid point 86 (39/90) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 7.281 4.723 18.599) 20.524 1.956 ( 0.809 9.922 19.083) 21.524 2.650 ( -16.683 -7.925 0.778) 18.486 2.897 ( -3.940 -10.545 2.694) 11.575 3.008 ( 0.574 -12.386 -5.116) 13.414 3.227 ( -5.803 4.367 -1.889) 7.504 3.456 ( 0.424 -6.214 2.619) 6.756 3.568 ( 7.318 2.243 5.749) 9.573 3.645 ( -5.443 2.275 6.413) 8.714 3.716 ( 6.614 5.882 5.197) 10.264 3.889 ( 9.159 -3.142 -2.495) 9.999 4.163 ( -1.345 8.259 -0.128) 8.369 4.277 ( -5.208 1.735 -1.137) 5.606 4.412 ( 0.919 -0.023 -3.013) 3.150 4.700 ( 4.596 2.077 -2.371) 5.573 5.103 ( -10.507 -6.883 -2.799) 12.869 5.423 ( -2.076 -2.689 -6.645) 7.463 5.670 ( 3.816 1.254 -6.641) 7.762 7.084 ( -0.055 -0.144 -1.439) 1.447 7.769 ( -1.761 -1.856 -2.845) 3.827 7.810 ( 3.462 -9.960 -4.774) 11.575 8.041 ( -3.683 4.729 -1.635) 6.213 8.146 ( 0.549 -0.214 -3.222) 3.276 8.345 ( 3.464 2.549 0.869) 4.388 8.479 ( -1.212 3.909 0.323) 4.105 8.522 ( 4.664 -0.900 -0.405) 4.768 8.781 ( -6.384 0.132 1.653) 6.596 9.077 ( 9.381 5.183 -0.533) 10.731 9.237 ( 6.712 8.095 -4.140) 11.302 9.562 ( -4.255 -0.752 -10.890) 11.716 9.773 ( 1.005 0.358 -6.934) 7.016 10.191 ( -4.656 -3.494 3.155) 6.621 10.357 ( 3.901 0.496 -3.952) 5.575 10.448 ( 3.312 -0.001 3.601) 4.892 10.666 ( 2.057 -1.904 -6.392) 6.979 10.764 ( -11.998 0.568 -3.699) 12.568 10.934 ( 9.855 -3.718 -0.947) 10.575 11.223 ( 2.407 7.992 -2.270) 8.650 11.466 ( -3.084 -2.354 -2.298) 4.509 11.569 ( 2.592 -5.590 3.382) 7.029 11.916 ( -5.896 -8.830 3.182) 11.084 12.005 ( -3.486 3.883 5.542) 7.612 12.506 ( -2.413 -3.534 6.804) 8.038 12.689 ( 0.986 2.970 4.082) 5.144 12.934 ( 7.093 9.086 6.571) 13.268 13.473 ( -5.175 -5.254 7.733) 10.685 13.785 ( -1.474 -3.536 -6.234) 7.317 13.964 ( 1.499 -1.597 5.123) 5.571 14.023 ( -2.138 0.860 -7.600) 7.942 14.307 ( 1.925 3.039 1.832) 4.037 14.823 ( 4.603 -2.095 2.314) 5.562 14.963 ( -2.215 8.338 2.467) 8.973 16.041 ( 1.523 2.034 0.345) 2.564 16.984 ( -9.279 -7.425 -1.110) 11.936 17.238 ( 5.026 -7.672 -0.956) 9.221 17.359 ( -3.814 -6.667 -1.801) 7.889 17.688 ( 2.516 10.154 -5.017) 11.602 17.881 ( 2.917 9.258 6.912) 11.915 19.017 ( -2.599 -5.832 -0.941) 6.454 19.375 ( 1.547 4.370 4.311) 6.331 ======================= Grid point 87 (40/90) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -4.836 -0.957 9.965) 11.117 2.266 ( -4.871 1.400 4.258) 6.620 2.376 ( -6.390 0.011 7.998) 10.237 2.699 ( -6.910 -6.472 -2.764) 9.863 2.920 ( -0.569 -8.299 2.684) 8.740 3.099 ( -2.689 -1.840 -6.966) 7.691 3.443 ( 1.234 -7.814 1.643) 8.079 3.541 ( -4.729 2.510 -2.132) 5.762 3.735 ( 1.469 -1.092 -1.978) 2.695 3.827 ( 6.961 6.485 -4.429) 10.494 4.039 ( -1.661 -4.283 -5.586) 7.232 4.232 ( 10.292 3.570 15.280) 18.766 4.290 ( -12.948 -2.921 -1.805) 13.395 4.367 ( 1.629 10.236 4.748) 11.400 4.682 ( -0.751 -8.708 0.635) 8.763 4.945 ( -5.248 4.770 0.073) 7.092 5.424 ( 8.705 1.870 -2.294) 9.194 5.618 ( -0.744 -0.052 -6.305) 6.349 7.054 ( -0.023 -0.701 -2.152) 2.263 7.707 ( -1.087 -2.511 -1.438) 3.090 7.779 ( 7.775 -4.820 -3.679) 9.860 8.022 ( -1.677 4.797 -2.023) 5.470 8.115 ( -0.124 1.243 -1.867) 2.246 8.395 ( 0.983 0.318 -0.737) 1.269 8.491 ( 2.047 1.406 -2.859) 3.787 8.549 ( -2.253 0.225 2.398) 3.298 8.780 ( 2.433 0.170 2.683) 3.626 9.220 ( 0.412 7.229 -5.531) 9.111 9.363 ( 9.103 7.848 -5.706) 13.305 9.412 ( 3.852 2.150 -1.788) 4.760 9.759 ( 4.596 -1.718 -1.722) 5.200 10.154 ( -1.310 -3.728 2.782) 4.832 10.337 ( 0.839 -2.419 -2.885) 3.857 10.473 ( -4.685 -2.985 2.057) 5.924 10.584 ( -7.616 1.841 -2.210) 8.141 10.680 ( 8.494 1.997 -6.083) 10.637 11.048 ( 9.347 -1.160 1.543) 9.544 11.269 ( 1.937 5.273 -4.587) 7.252 11.409 ( 2.083 2.361 -4.556) 5.538 11.571 ( -0.820 -6.482 1.901) 6.804 11.812 ( -4.143 -7.842 3.386) 9.494 12.027 ( -5.395 3.336 4.015) 7.506 12.465 ( -7.416 -2.523 3.552) 8.601 12.789 ( 0.638 1.148 5.753) 5.901 13.095 ( -0.604 -0.095 3.779) 3.829 13.471 ( -3.841 1.902 6.285) 7.608 13.674 ( 1.529 -3.607 -7.185) 8.184 13.912 ( -3.246 1.857 -6.153) 7.200 14.024 ( 1.736 -2.093 3.546) 4.468 14.359 ( 0.688 -0.322 2.709) 2.814 14.897 ( 4.755 -2.231 0.505) 5.276 15.041 ( -2.428 7.752 5.817) 9.991 16.102 ( 4.762 3.065 0.642) 5.699 16.849 ( -4.822 -3.716 1.459) 6.260 17.133 ( -5.352 -5.757 -7.011) 10.533 17.299 ( 2.271 -7.672 2.776) 8.469 17.711 ( -2.009 7.918 -3.914) 9.058 18.077 ( 5.370 7.265 5.730) 10.698 18.904 ( -4.329 -6.180 -2.198) 7.859 19.464 ( 0.506 2.523 3.547) 4.382 ======================= Grid point 88 (41/90) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -22.422 -6.559 -3.563) 23.631 1.999 ( -18.625 -11.970 1.781) 22.211 2.575 ( -1.367 0.659 -6.950) 7.114 2.652 ( 2.725 6.631 11.426) 13.489 2.944 ( 0.895 -4.725 6.753) 8.290 3.065 ( 8.183 1.990 -0.302) 8.427 3.376 ( -2.536 -8.066 -5.187) 9.919 3.502 ( -3.510 1.209 4.751) 6.029 3.663 ( -3.638 -1.946 -4.678) 6.238 3.788 ( -21.113 -5.482 -1.166) 21.844 3.944 ( 9.066 6.474 -5.226) 12.305 4.024 ( -8.290 -2.312 -3.972) 9.479 4.445 ( 0.241 4.795 4.783) 6.777 4.522 ( 6.215 -10.786 1.299) 12.516 4.761 ( 10.097 2.989 9.714) 14.327 5.025 ( 2.594 11.551 2.094) 12.023 5.479 ( 1.105 -0.599 -4.814) 4.975 5.587 ( 7.589 1.941 -4.257) 8.915 7.043 ( 0.646 -0.553 0.796) 1.165 7.677 ( 1.706 -1.522 -1.640) 2.814 7.841 ( 8.408 -0.369 -2.235) 8.708 8.022 ( 1.079 4.055 -2.723) 5.003 8.127 ( 0.621 1.981 0.553) 2.149 8.372 ( -3.132 1.580 -1.253) 3.725 8.464 ( -1.467 -3.911 1.470) 4.428 8.551 ( -2.792 2.045 -0.199) 3.467 8.853 ( 5.946 -2.035 -0.172) 6.287 9.089 ( -7.461 3.256 -5.721) 9.950 9.491 ( 12.905 5.413 -5.559) 15.058 9.603 ( 9.965 6.986 0.607) 12.185 9.835 ( 5.877 -0.371 4.405) 7.354 10.163 ( -0.190 -0.048 0.490) 0.528 10.296 ( 1.604 -0.889 -5.333) 5.640 10.384 ( -4.762 -0.580 5.079) 6.986 10.527 ( -2.820 -0.665 1.326) 3.187 10.750 ( 8.970 -0.688 -4.109) 9.890 11.175 ( 2.200 3.302 1.211) 4.149 11.263 ( 5.726 1.952 -4.823) 7.737 11.438 ( 3.966 -0.180 -5.222) 6.559 11.499 ( -3.421 -1.422 -1.101) 3.865 11.778 ( 2.419 -4.728 2.225) 5.758 12.010 ( -7.435 2.505 4.057) 8.832 12.369 ( -8.598 -3.579 2.433) 9.626 12.820 ( -4.722 -1.522 4.043) 6.400 13.004 ( -12.108 -5.948 2.829) 13.784 13.506 ( -0.739 0.514 -0.607) 1.086 13.628 ( 7.592 -2.685 -6.122) 10.115 13.838 ( -3.313 5.820 -4.170) 7.889 14.068 ( 1.158 0.195 2.972) 3.195 14.407 ( 1.690 -0.505 4.166) 4.523 14.904 ( 0.761 -3.191 -2.210) 3.956 15.124 ( -3.298 3.276 6.471) 7.968 16.250 ( 10.752 4.676 2.046) 11.902 16.795 ( 1.422 -3.196 -8.186) 8.902 16.938 ( -10.128 -2.089 2.728) 10.695 17.317 ( 0.927 -6.118 5.438) 8.238 17.672 ( -4.280 4.234 -3.322) 6.876 18.249 ( 4.487 5.007 3.292) 7.486 18.772 ( -4.064 -4.707 -2.490) 6.699 19.500 ( -2.072 0.185 2.644) 3.364 ======================= Grid point 89 (42/90) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -23.738 -6.869 -0.098) 24.712 1.653 ( -24.581 -9.415 5.184) 26.828 2.445 ( -0.328 -1.206 -9.189) 9.274 2.811 ( -4.471 1.773 13.451) 14.285 2.969 ( -4.685 -7.696 -6.689) 11.221 3.087 ( -20.807 -6.856 9.966) 24.068 3.260 ( 7.938 3.913 4.117) 9.761 3.414 ( -6.220 -3.005 -4.906) 8.473 3.616 ( -0.779 1.733 1.582) 2.472 3.659 ( 3.328 2.210 4.788) 6.236 3.918 ( -0.905 5.961 -7.536) 9.651 4.056 ( 8.461 1.200 -1.731) 8.719 4.428 ( 4.906 -13.003 -1.828) 14.018 4.600 ( -2.218 6.242 6.305) 9.145 4.923 ( 2.970 3.155 -5.545) 7.037 5.171 ( 5.875 2.553 3.046) 7.093 5.491 ( 7.614 2.730 -2.639) 8.508 5.662 ( 8.641 2.691 -4.180) 9.969 7.068 ( -0.815 -1.453 3.908) 4.248 7.694 ( 3.779 2.769 -2.479) 5.300 7.900 ( 5.699 -0.589 -4.608) 7.353 8.070 ( 2.802 4.254 0.589) 5.128 8.156 ( 1.183 -0.161 0.710) 1.389 8.327 ( -4.174 1.763 1.193) 4.686 8.449 ( -0.140 -6.481 4.367) 7.817 8.484 ( -6.963 2.619 -2.110) 7.733 8.886 ( 4.889 -3.849 -3.131) 6.966 9.004 ( -3.572 6.100 -1.913) 7.323 9.603 ( 6.859 1.225 -3.959) 8.014 9.811 ( 15.254 4.214 0.631) 15.838 9.966 ( 3.806 0.441 4.566) 5.960 10.089 ( -6.120 0.841 -4.495) 7.640 10.263 ( 3.745 2.399 -4.417) 6.269 10.501 ( -0.218 2.940 0.710) 3.032 10.573 ( 7.638 2.762 12.534) 14.935 10.806 ( 6.536 -2.871 -1.926) 7.394 11.152 ( -0.946 2.776 -8.107) 8.621 11.303 ( -1.323 -6.212 -5.737) 8.559 11.329 ( -4.580 2.435 -3.454) 6.232 11.505 ( 6.514 0.455 0.510) 6.549 11.871 ( 9.514 1.509 -0.729) 9.661 11.967 ( -8.499 0.747 6.147) 10.516 12.235 ( -9.085 -5.749 1.201) 10.818 12.735 ( -10.272 -4.200 2.690) 11.419 12.814 ( -13.977 -4.701 4.545) 15.431 13.446 ( -1.058 -1.516 -4.703) 5.053 13.687 ( 11.136 -0.005 -4.518) 12.017 13.804 ( -1.577 4.306 -3.312) 5.657 14.132 ( 0.294 2.882 3.688) 4.690 14.492 ( 1.612 1.722 5.329) 5.828 14.820 ( -1.368 -5.133 -5.733) 7.816 15.140 ( -5.568 -0.473 4.593) 7.234 16.473 ( 11.988 2.625 -3.382) 12.729 16.599 ( -0.959 -2.869 -9.174) 9.660 16.962 ( -1.621 2.157 9.325) 9.708 17.346 ( -2.906 -0.324 5.619) 6.334 17.600 ( -3.301 -2.849 -0.347) 4.375 18.311 ( -1.257 -0.225 -1.050) 1.653 18.715 ( 0.982 1.264 0.693) 1.744 19.471 ( -5.187 -1.554 1.606) 5.648 ======================= Grid point 90 (43/90) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -22.215 -3.951 11.147) 25.167 1.359 ( -24.765 -4.810 12.375) 28.100 2.384 ( 3.615 -1.842 -2.296) 4.662 2.562 ( -36.251 -10.101 15.646) 40.755 2.914 ( -5.765 1.786 13.618) 14.895 3.016 ( -3.169 -4.279 0.910) 5.402 3.283 ( 2.862 -0.316 -10.115) 10.517 3.423 ( 8.715 3.208 -0.219) 9.289 3.707 ( 5.009 0.340 2.968) 5.832 3.807 ( 5.371 0.622 5.797) 7.927 3.883 ( -0.877 9.823 -7.957) 12.672 4.151 ( 7.877 -1.740 -0.560) 8.086 4.393 ( 3.853 -6.571 -0.404) 7.628 4.628 ( -4.777 1.297 -0.840) 5.020 4.850 ( -3.222 5.089 -6.381) 8.774 5.262 ( 8.725 -4.843 -3.281) 10.504 5.594 ( 10.563 1.288 -4.932) 11.729 5.784 ( 7.759 6.077 -1.458) 9.963 7.067 ( -3.952 -2.574 4.060) 6.223 7.765 ( 6.199 5.941 -2.517) 8.948 7.898 ( 2.594 -0.839 -3.185) 4.193 8.115 ( 0.328 -1.447 0.063) 1.485 8.179 ( 2.112 0.386 -0.336) 2.173 8.338 ( -4.158 3.911 3.732) 6.820 8.388 ( -5.398 1.611 0.828) 5.694 8.453 ( 0.420 -6.328 4.083) 7.543 8.859 ( 3.592 -3.773 -5.342) 7.461 9.035 ( -0.565 8.326 0.802) 8.383 9.590 ( -3.650 -0.757 -3.515) 5.123 9.971 ( -1.402 1.261 -4.579) 4.952 9.989 ( 6.898 -2.874 -4.721) 8.839 10.094 ( 11.071 1.432 2.301) 11.398 10.359 ( 10.844 5.498 -1.278) 12.225 10.523 ( -2.212 1.429 5.536) 6.131 10.768 ( -3.053 -0.132 -10.523) 10.957 10.893 ( 6.791 9.203 9.236) 14.701 10.999 ( 3.041 -9.797 -7.128) 12.491 11.103 ( -10.050 -3.708 -4.206) 11.509 11.315 ( 3.055 4.568 -1.315) 5.650 11.629 ( 5.547 2.398 0.453) 6.060 11.860 ( -5.221 0.510 -2.845) 5.968 12.025 ( -2.742 -2.911 1.020) 4.127 12.107 ( -0.151 -3.837 5.697) 6.870 12.580 ( -11.351 -4.830 5.067) 13.336 12.704 ( -10.620 -0.781 8.189) 13.433 13.382 ( 2.212 0.562 -6.153) 6.563 13.777 ( 0.680 3.244 -1.672) 3.713 13.812 ( 8.035 0.722 -1.204) 8.157 14.191 ( -0.062 3.054 1.959) 3.629 14.569 ( -3.884 -0.578 5.084) 6.423 14.686 ( 2.137 -2.064 -8.412) 8.921 15.075 ( -6.972 -3.502 1.587) 7.962 16.295 ( -6.349 -1.930 -12.469) 14.124 16.778 ( 17.002 -1.023 2.093) 17.161 17.085 ( 2.252 4.198 6.128) 7.762 17.352 ( -4.967 5.808 1.040) 7.713 17.557 ( -1.974 -8.366 7.156) 11.184 18.206 ( -5.593 -3.193 -5.218) 8.289 18.822 ( 5.657 4.548 4.046) 8.310 19.380 ( -7.836 -2.061 0.731) 8.136 ======================= Grid point 93 (44/90) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -3.303 5.127 20.102) 21.007 2.028 ( -5.349 10.231 17.017) 20.564 2.643 ( 16.643 -8.268 1.124) 18.618 2.939 ( -1.357 -9.118 -2.012) 9.436 3.098 ( 6.521 -6.083 0.466) 8.930 3.208 ( 0.102 -3.991 -2.185) 4.551 3.358 ( -3.435 5.021 13.437) 14.750 3.510 ( 9.511 -6.027 -3.756) 11.869 3.625 ( -4.834 -0.402 -0.175) 4.854 3.759 ( -6.387 2.733 0.359) 6.957 3.890 ( -7.734 -6.284 -0.965) 10.012 4.107 ( 2.824 11.308 12.956) 17.427 4.308 ( 3.043 3.501 -2.510) 5.274 4.486 ( 0.359 1.994 -5.468) 5.832 4.663 ( -4.798 1.631 -5.374) 7.387 5.140 ( 6.737 -4.337 0.355) 8.020 5.414 ( 4.464 -3.514 -7.220) 9.187 5.656 ( -4.003 0.270 -7.298) 8.328 7.076 ( 0.404 -0.784 -1.555) 1.788 7.708 ( 0.353 -5.614 -5.081) 7.580 7.887 ( -2.270 -5.613 -0.273) 6.060 8.073 ( 2.301 6.652 -4.012) 8.102 8.120 ( -0.078 -0.832 -3.224) 3.331 8.319 ( -1.488 1.253 0.437) 1.993 8.455 ( -1.697 1.205 2.509) 3.260 8.591 ( -4.484 3.909 -3.402) 6.853 8.743 ( 6.222 -1.168 3.729) 7.347 9.124 ( -5.580 2.173 1.794) 6.251 9.183 ( -7.332 8.120 -8.521) 13.867 9.518 ( 3.608 -1.462 -9.791) 10.537 9.830 ( -1.542 3.431 -7.290) 8.203 10.253 ( 2.580 0.496 0.465) 2.668 10.362 ( -1.491 -0.261 5.311) 5.523 10.413 ( -5.221 -2.143 -2.186) 6.053 10.598 ( 2.712 -4.599 -7.257) 9.010 10.698 ( 5.590 -3.126 -0.662) 6.438 11.061 ( -9.629 1.652 -7.583) 12.367 11.191 ( 0.580 7.633 0.794) 7.696 11.476 ( 3.273 -2.629 1.920) 4.616 11.584 ( -4.145 -3.940 -0.575) 5.748 11.949 ( 4.900 -6.703 3.283) 8.929 12.003 ( 3.602 4.121 6.485) 8.486 12.473 ( 3.784 -6.651 4.321) 8.788 12.718 ( 0.101 3.800 6.904) 7.882 12.875 ( -7.546 7.438 5.646) 12.006 13.430 ( 7.069 -8.844 6.562) 13.086 13.809 ( 0.122 -1.331 -4.660) 4.848 13.989 ( -0.041 1.669 -7.819) 7.995 14.029 ( 0.907 -2.139 6.433) 6.840 14.313 ( -3.293 5.616 0.056) 6.510 14.791 ( -1.396 -4.919 3.263) 6.065 14.993 ( -0.620 10.347 2.221) 10.601 16.036 ( -1.261 1.568 0.180) 2.020 16.963 ( 9.311 -9.125 -0.350) 13.042 17.266 ( -5.575 -4.712 -5.621) 9.213 17.394 ( 3.220 -7.893 2.673) 8.934 17.639 ( -1.214 9.952 -6.031) 11.700 17.895 ( -3.281 9.831 7.095) 12.560 19.013 ( 2.711 -6.192 -0.810) 6.808 19.374 ( -1.531 4.391 4.474) 6.453 ======================= Grid point 94 (45/90) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 1.211 6.461 16.922) 18.154 2.226 ( -1.170 8.881 11.379) 14.482 2.715 ( -6.154 -7.810 -5.367) 11.300 2.815 ( 8.152 -4.118 0.979) 9.185 2.981 ( -12.008 -8.472 0.947) 14.726 3.235 ( 6.714 -13.806 -0.879) 15.377 3.298 ( -2.159 0.780 -8.188) 8.504 3.563 ( 5.852 -8.850 -5.606) 12.000 3.648 ( 2.909 2.979 -5.003) 6.509 3.748 ( -3.178 -6.418 3.941) 8.175 3.834 ( 5.743 4.344 15.707) 17.279 4.262 ( -8.151 1.183 -3.408) 8.914 4.381 ( 1.523 11.723 0.650) 11.840 4.448 ( -2.155 7.600 5.900) 9.860 4.670 ( 3.193 3.678 1.639) 5.139 5.102 ( -1.947 -4.786 -0.712) 5.216 5.351 ( -1.365 -6.142 -5.769) 8.537 5.575 ( 2.186 4.548 -5.690) 7.605 7.045 ( 0.518 -2.515 -2.376) 3.498 7.607 ( 2.525 -7.306 -5.543) 9.512 7.799 ( -4.183 -2.612 -1.086) 5.049 8.075 ( -0.448 4.385 -5.130) 6.763 8.102 ( 0.943 2.189 -1.305) 2.717 8.337 ( 1.294 0.359 0.922) 1.629 8.456 ( -0.690 -3.169 -1.152) 3.442 8.545 ( -0.892 5.319 0.455) 5.412 8.879 ( -0.111 3.534 3.539) 5.003 9.057 ( -0.994 8.698 -1.653) 8.909 9.160 ( 4.448 2.096 -3.776) 6.200 9.483 ( 1.761 2.865 -5.338) 6.309 9.707 ( -4.030 0.470 -8.115) 9.073 10.261 ( 0.558 -2.573 0.280) 2.648 10.291 ( -5.294 -1.107 -1.017) 5.503 10.452 ( 3.427 0.165 2.631) 4.324 10.513 ( 3.042 -6.775 -5.207) 9.070 10.788 ( 8.245 0.432 0.909) 8.306 10.870 ( -9.438 3.309 -6.272) 11.805 11.226 ( 1.260 5.604 -3.925) 6.957 11.460 ( -4.774 -3.077 -3.121) 6.481 11.545 ( 2.332 -1.879 3.141) 4.340 11.914 ( -1.826 -9.127 0.521) 9.322 12.136 ( -0.716 1.130 7.252) 7.375 12.540 ( 2.997 -3.968 4.971) 7.031 12.757 ( -2.473 1.304 3.964) 4.851 13.013 ( 3.472 9.271 6.517) 11.852 13.508 ( 3.945 -9.647 5.132) 11.618 13.726 ( -2.806 -1.259 -3.531) 4.682 13.914 ( 0.191 4.656 -9.705) 10.766 14.085 ( -2.684 -4.564 8.243) 9.797 14.330 ( 0.377 1.547 1.898) 2.478 14.797 ( 1.033 -1.945 2.512) 3.341 15.094 ( -1.292 11.418 3.043) 11.887 16.042 ( 0.456 1.038 0.083) 1.137 16.930 ( 0.204 -8.097 -5.024) 9.531 17.149 ( 1.161 -4.404 -1.296) 4.736 17.348 ( -2.701 -10.422 2.503) 11.054 17.679 ( 1.950 10.241 -3.247) 10.919 18.026 ( -0.839 11.533 5.167) 12.665 18.965 ( 0.297 -7.707 -1.514) 7.859 19.449 ( -0.046 4.099 4.082) 5.785 ======================= Grid point 95 (46/90) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.236 0.047 -0.703) 3.312 2.337 ( -3.846 -1.234 7.378) 8.411 2.548 ( -5.137 5.343 4.748) 8.802 2.749 ( -12.700 -2.692 -2.770) 13.275 2.919 ( 3.571 1.465 0.731) 3.929 3.063 ( -4.816 -7.812 -0.115) 9.178 3.295 ( 7.046 -10.923 -2.697) 13.275 3.518 ( 6.550 -6.903 -3.137) 10.020 3.587 ( 2.237 -7.839 -5.942) 10.087 3.747 ( 2.177 3.518 -1.191) 4.305 4.088 ( -7.722 2.005 -3.174) 8.586 4.186 ( 12.996 -0.041 10.076) 16.444 4.452 ( -7.617 2.608 0.723) 8.084 4.506 ( -3.444 9.934 3.381) 11.045 4.737 ( -4.011 1.589 5.833) 7.255 5.058 ( -5.362 0.725 1.895) 5.733 5.265 ( 8.126 -2.966 -4.126) 9.584 5.569 ( -0.267 3.561 -5.537) 6.589 7.013 ( 1.123 -2.719 -0.491) 2.982 7.560 ( 6.559 -6.041 -3.893) 9.730 7.732 ( -1.921 1.064 -1.690) 2.771 8.034 ( -0.935 4.374 -5.147) 6.819 8.128 ( -0.401 3.318 0.850) 3.449 8.361 ( 1.260 -5.089 1.839) 5.555 8.439 ( 4.127 2.402 -2.310) 5.304 8.603 ( 0.544 2.974 1.791) 3.514 8.831 ( -7.650 2.385 -0.297) 8.019 9.167 ( 5.509 5.220 -6.195) 9.797 9.279 ( 8.305 9.999 1.355) 13.069 9.421 ( -4.311 1.734 -1.716) 4.954 9.650 ( 6.077 -1.092 -1.137) 6.279 10.195 ( -4.236 -3.539 1.463) 5.711 10.267 ( 1.351 -0.584 -3.709) 3.990 10.446 ( 5.668 -2.306 -8.294) 10.307 10.517 ( 1.506 -4.824 4.632) 6.855 10.723 ( -8.248 3.563 -1.827) 9.169 10.945 ( 9.523 3.803 2.094) 10.466 11.254 ( 1.932 6.392 -3.421) 7.503 11.343 ( -1.645 -0.030 -5.778) 6.007 11.563 ( -0.650 -3.768 1.208) 4.010 11.814 ( -3.053 -7.840 -0.077) 8.414 12.179 ( -4.588 0.281 6.215) 7.730 12.545 ( -3.501 -3.775 1.901) 5.488 12.822 ( 2.500 0.085 4.262) 4.942 13.168 ( 0.571 2.492 5.530) 6.093 13.473 ( 0.935 -6.600 -4.533) 8.061 13.661 ( -6.045 0.443 0.783) 6.112 13.859 ( 2.694 4.200 -6.834) 8.461 14.084 ( -4.136 -3.862 6.123) 8.337 14.375 ( 1.795 -1.174 2.825) 3.547 14.832 ( 2.786 -2.083 0.634) 3.536 15.199 ( -2.001 9.856 4.031) 10.835 16.075 ( 2.988 1.109 0.996) 3.339 16.791 ( -1.138 -4.443 -7.952) 9.180 17.129 ( -1.112 -4.382 -0.165) 4.524 17.284 ( -1.259 -8.514 7.342) 11.313 17.733 ( 0.431 7.242 -3.269) 7.958 18.157 ( 0.753 10.202 2.945) 10.646 18.872 ( -2.143 -7.844 -1.778) 8.324 19.518 ( 0.136 2.199 3.159) 3.851 ======================= Grid point 96 (47/90) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -16.882 -3.918 -2.016) 17.448 2.242 ( -17.203 -4.075 5.424) 18.493 2.510 ( -5.735 -2.253 -10.872) 12.497 2.725 ( 6.631 8.152 1.460) 10.609 2.902 ( 1.436 -3.114 -0.085) 3.430 3.142 ( -0.663 5.013 12.710) 13.679 3.213 ( 3.796 -11.904 -7.605) 14.628 3.525 ( 4.791 -9.201 1.095) 10.431 3.568 ( 4.453 0.555 1.682) 4.793 3.795 ( 5.814 6.040 -6.726) 10.748 3.971 ( -3.276 -0.187 -4.379) 5.472 4.245 ( -22.464 -4.389 3.595) 23.170 4.374 ( -1.487 -2.396 4.287) 5.131 4.575 ( 3.320 1.365 5.865) 6.876 4.779 ( -0.775 4.285 2.663) 5.105 5.079 ( 3.045 4.322 0.310) 5.296 5.343 ( 9.893 -1.290 -4.526) 10.956 5.503 ( -1.549 2.944 -5.330) 6.282 7.038 ( 2.145 -1.574 3.810) 4.647 7.587 ( 6.497 -2.585 -1.840) 7.230 7.730 ( 3.148 3.071 -3.171) 5.422 8.021 ( 0.437 6.762 -3.203) 7.495 8.154 ( -0.734 1.251 1.745) 2.269 8.365 ( 2.060 -4.631 2.221) 5.534 8.484 ( 0.100 3.724 -2.324) 4.391 8.631 ( -3.175 1.733 2.906) 4.640 8.753 ( 0.043 -2.549 -2.984) 3.925 9.157 ( -3.203 2.568 -1.930) 4.536 9.336 ( 5.335 5.834 -5.225) 9.476 9.547 ( 7.578 5.533 1.762) 9.547 9.806 ( 9.160 2.212 7.090) 11.793 10.156 ( 0.174 -0.582 -0.881) 1.070 10.204 ( 0.776 -1.097 -6.993) 7.121 10.416 ( 2.269 -0.537 -4.209) 4.812 10.547 ( 1.972 -2.521 2.552) 4.093 10.687 ( -2.525 0.452 5.217) 5.813 11.132 ( 9.285 3.547 1.947) 10.128 11.219 ( -3.039 4.076 -5.797) 7.711 11.359 ( 4.022 6.355 -2.316) 7.869 11.508 ( -2.835 -1.548 -2.931) 4.361 11.718 ( -0.207 -7.633 -0.830) 7.681 12.171 ( -6.170 -0.792 5.163) 8.084 12.454 ( -6.622 -5.104 0.483) 8.375 12.869 ( -0.738 -2.614 2.314) 3.568 13.173 ( -8.217 -3.652 5.757) 10.677 13.396 ( 3.999 -4.261 -6.043) 8.407 13.564 ( -4.494 2.081 -4.458) 6.664 13.862 ( -0.674 2.303 -2.645) 3.571 14.101 ( 1.123 0.741 3.880) 4.107 14.435 ( 1.780 1.061 3.874) 4.393 14.827 ( 1.236 -5.367 -1.999) 5.859 15.266 ( -3.625 4.756 3.491) 6.925 16.175 ( 7.466 0.535 2.811) 7.996 16.649 ( -1.254 -1.363 -10.402) 10.565 17.057 ( -4.148 -1.482 0.739) 4.467 17.359 ( 2.200 -7.463 13.243) 15.360 17.709 ( -4.264 5.659 -5.232) 8.808 18.263 ( 2.517 5.462 0.147) 6.016 18.765 ( -2.959 -4.963 -0.856) 5.842 19.551 ( -1.122 -0.105 2.058) 2.346 ======================= Grid point 97 (48/90) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -21.636 -0.940 5.554) 22.357 2.016 ( -22.675 -2.247 8.017) 24.155 2.317 ( 0.069 -3.086 -10.470) 10.916 2.771 ( 6.552 -6.981 -9.417) 13.429 2.992 ( 2.653 6.407 6.024) 9.186 3.089 ( 2.622 -6.450 -6.235) 9.346 3.285 ( -0.316 0.229 6.773) 6.784 3.589 ( 0.758 0.704 6.711) 6.790 3.671 ( 2.523 3.525 3.132) 5.348 3.789 ( -7.675 0.092 -2.148) 7.971 3.906 ( 0.510 1.729 -3.977) 4.366 3.982 ( -12.382 -1.917 7.409) 14.556 4.331 ( -3.023 -4.316 2.055) 5.656 4.703 ( 2.824 2.762 1.005) 4.075 4.801 ( 5.572 -3.459 -3.927) 7.644 5.091 ( 0.840 -2.353 -6.138) 6.627 5.405 ( 5.573 3.520 -2.725) 7.133 5.538 ( 8.142 4.820 -1.050) 9.520 7.111 ( 0.802 -2.119 6.213) 6.613 7.630 ( 4.169 3.250 -3.586) 6.388 7.776 ( 5.557 2.293 -3.255) 6.837 8.075 ( 2.215 6.724 -0.931) 7.141 8.162 ( -0.998 -1.282 1.270) 2.062 8.389 ( 0.948 -2.446 2.863) 3.883 8.449 ( -2.571 -0.587 0.463) 2.678 8.604 ( -7.084 2.244 1.547) 7.590 8.731 ( 5.254 -3.257 -4.409) 7.593 9.132 ( -5.856 6.350 3.196) 9.211 9.446 ( 11.945 2.568 -2.997) 12.580 9.687 ( 7.419 2.747 0.300) 7.917 9.982 ( 3.055 1.007 5.121) 6.047 10.105 ( -3.869 -1.177 -4.892) 6.348 10.153 ( 4.814 1.409 -6.958) 8.577 10.461 ( 7.498 3.181 -2.776) 8.605 10.624 ( 5.108 -0.998 6.862) 8.612 10.756 ( 0.810 -0.475 8.131) 8.185 11.130 ( -5.355 5.770 -8.199) 11.366 11.230 ( 2.016 -2.056 -0.691) 2.961 11.369 ( -5.673 0.752 -6.745) 8.845 11.463 ( 4.037 6.408 1.885) 7.804 11.737 ( 8.614 -2.025 -0.282) 8.853 12.122 ( -6.681 -2.799 4.123) 8.335 12.309 ( -8.028 -7.169 -0.028) 10.763 12.811 ( -5.685 -5.135 0.706) 7.693 13.066 ( -13.438 -1.994 7.209) 15.379 13.352 ( 2.787 -3.366 -6.403) 7.752 13.539 ( 5.546 2.119 -1.680) 6.170 13.825 ( -1.869 3.786 -3.375) 5.405 14.182 ( 1.641 2.049 3.330) 4.240 14.529 ( 3.284 4.353 2.265) 5.904 14.733 ( -2.171 -8.556 -3.204) 9.391 15.247 ( -5.588 -1.299 1.621) 5.962 16.308 ( 8.099 -2.639 -0.998) 8.577 16.518 ( -1.119 2.006 -5.937) 6.366 17.047 ( 0.208 1.770 2.040) 2.709 17.501 ( 0.992 -5.530 15.467) 16.456 17.596 ( -7.047 4.098 -6.868) 10.660 18.279 ( 0.333 -2.443 -3.640) 4.397 18.734 ( 0.545 1.788 1.425) 2.350 19.531 ( -3.287 -1.921 0.932) 3.919 ======================= Grid point 98 (49/90) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -20.764 0.798 13.685) 24.881 1.820 ( -22.952 1.522 12.481) 26.171 2.248 ( 7.109 -4.835 -4.329) 9.625 2.677 ( 5.412 -8.775 -6.390) 12.129 3.037 ( 5.132 2.266 -8.917) 10.535 3.140 ( -1.411 3.626 9.419) 10.191 3.320 ( 2.826 -1.911 0.070) 3.412 3.470 ( -28.355 -1.746 13.352) 31.390 3.687 ( -0.344 -2.834 -1.412) 3.185 3.819 ( 4.575 0.620 7.141) 8.503 3.911 ( -1.894 10.656 -3.775) 11.462 4.063 ( 6.705 1.512 5.534) 8.825 4.298 ( 1.491 -2.921 -1.008) 3.431 4.666 ( -0.473 -5.471 -5.741) 7.945 4.795 ( 3.071 3.513 -9.215) 10.329 5.015 ( 5.894 -10.433 -2.934) 12.337 5.475 ( 3.686 5.199 -2.452) 6.829 5.700 ( 9.621 4.693 -0.919) 10.744 7.138 ( -2.760 -3.044 4.037) 5.760 7.685 ( 6.118 6.548 -4.679) 10.109 7.827 ( 3.524 1.713 -1.470) 4.185 8.108 ( -1.655 -1.334 -0.241) 2.139 8.154 ( 1.636 0.556 -0.133) 1.733 8.413 ( 0.349 -3.890 2.299) 4.532 8.467 ( 0.115 3.104 4.727) 5.656 8.530 ( -8.203 2.870 1.466) 8.813 8.712 ( 3.605 -3.220 -5.403) 7.250 9.179 ( -4.578 9.113 5.678) 11.673 9.568 ( 5.704 1.709 -1.699) 6.192 9.780 ( 6.933 0.361 -5.396) 8.793 9.944 ( -4.437 -3.786 -5.191) 7.808 10.066 ( 1.965 1.959 1.200) 3.023 10.210 ( 11.054 0.732 -3.229) 11.540 10.529 ( 5.237 -3.570 1.573) 6.530 10.696 ( -1.378 -0.707 -6.375) 6.560 10.911 ( 2.573 7.057 4.050) 8.534 11.013 ( -1.926 1.738 2.115) 3.348 11.145 ( -6.459 -1.675 -2.499) 7.126 11.320 ( 1.509 4.183 0.508) 4.476 11.597 ( 4.123 5.940 1.040) 7.305 11.796 ( 2.712 0.695 -6.469) 7.049 12.075 ( -3.655 -5.567 3.799) 7.667 12.164 ( -4.169 -6.510 3.946) 8.679 12.677 ( -6.999 -6.340 0.605) 9.463 12.999 ( -12.125 2.371 10.558) 16.251 13.281 ( 1.751 -3.148 -5.244) 6.362 13.677 ( 10.778 3.877 0.099) 11.454 13.809 ( -1.049 4.466 -1.487) 4.823 14.238 ( -0.253 1.827 1.951) 2.685 14.530 ( -0.774 -4.756 -10.519) 11.570 14.675 ( -0.017 0.789 7.060) 7.104 15.139 ( -6.861 -5.636 -0.749) 8.910 16.250 ( -4.054 1.340 -7.288) 8.446 16.587 ( 10.878 -4.245 2.578) 11.959 17.126 ( 3.369 4.867 2.216) 6.320 17.455 ( -5.004 2.630 -6.554) 8.656 17.643 ( -1.995 -2.416 15.142) 15.463 18.161 ( -3.256 -5.740 -6.866) 9.523 18.821 ( 4.731 3.700 2.136) 6.375 19.460 ( -5.404 -2.592 0.344) 6.004 ======================= Grid point 101 (50/90) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 2.613 1.093 11.928) 12.259 2.238 ( 5.635 -2.496 2.917) 6.818 2.434 ( 7.575 4.516 11.266) 14.307 2.716 ( 11.690 -8.638 -4.747) 15.291 3.008 ( -1.056 -2.262 -2.190) 3.321 3.162 ( 3.027 0.885 -2.173) 3.830 3.313 ( 0.958 -11.271 -1.738) 11.444 3.502 ( 1.436 -0.120 1.478) 2.064 3.637 ( -8.714 -2.851 -9.661) 13.319 3.809 ( -0.629 1.998 2.825) 3.517 4.019 ( -11.188 -6.127 6.385) 14.265 4.246 ( 6.802 4.665 -5.149) 9.723 4.290 ( 16.599 -1.946 -4.288) 17.254 4.468 ( -4.715 11.434 18.048) 21.879 4.639 ( -7.443 -3.311 -3.470) 8.854 5.073 ( 10.725 6.945 1.331) 12.847 5.362 ( -10.109 -2.288 -2.550) 10.674 5.600 ( -0.824 -0.777 -6.991) 7.082 7.039 ( -0.125 -1.598 -1.828) 2.431 7.650 ( -4.104 -3.170 -3.748) 6.399 7.885 ( -2.386 -3.114 -0.141) 3.925 8.052 ( 2.528 7.216 -1.990) 7.900 8.089 ( -1.138 0.952 -3.027) 3.371 8.322 ( -0.212 -1.399 -1.420) 2.005 8.508 ( -1.333 0.035 0.276) 1.362 8.611 ( 1.129 3.123 -1.181) 3.525 8.765 ( -1.014 -1.047 5.673) 5.857 9.091 ( -0.488 -1.312 -10.547) 10.639 9.324 ( -10.186 6.179 -1.059) 11.961 9.481 ( -5.769 7.509 -2.261) 9.736 9.822 ( -3.066 2.534 -3.036) 5.004 10.215 ( 2.696 -1.633 -0.319) 3.168 10.333 ( 3.443 -7.833 -3.637) 9.297 10.416 ( 1.065 1.799 3.463) 4.045 10.582 ( -3.800 1.733 0.323) 4.189 10.628 ( -1.899 -1.850 -4.013) 4.810 11.105 ( -7.039 0.637 -6.113) 9.345 11.225 ( -2.990 5.221 -5.164) 7.929 11.468 ( 2.392 2.427 3.412) 4.822 11.584 ( -2.325 -4.922 -1.575) 5.667 11.858 ( 5.088 -6.152 3.179) 8.593 12.037 ( 6.262 4.371 4.914) 9.081 12.397 ( 6.339 -6.195 4.391) 9.892 12.801 ( 1.814 0.637 6.173) 6.465 13.089 ( -5.514 3.589 2.667) 7.099 13.338 ( 3.855 -7.350 5.576) 9.999 13.741 ( 1.222 -1.466 -3.771) 4.226 13.870 ( 4.079 -0.422 -5.897) 7.183 14.086 ( -0.931 1.529 1.593) 2.396 14.402 ( -2.329 3.714 1.337) 4.583 14.816 ( -1.861 -5.628 4.299) 7.323 15.116 ( 0.289 9.844 3.530) 10.462 16.087 ( -4.880 2.050 0.500) 5.317 16.822 ( 5.774 -6.323 4.461) 9.655 17.164 ( 1.568 -1.796 -11.993) 12.227 17.314 ( 1.334 -8.175 0.145) 8.284 17.684 ( 0.560 6.933 1.094) 7.041 18.088 ( -4.326 7.490 5.165) 10.074 18.900 ( 3.886 -6.201 -2.400) 7.702 19.465 ( -0.554 2.687 3.548) 4.485 ======================= Grid point 102 (51/90) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 5.524 -2.681 -1.319) 6.281 2.370 ( -1.135 5.096 13.657) 14.621 2.666 ( 6.843 0.389 -7.898) 10.457 2.729 ( 5.734 3.918 8.003) 10.596 3.024 ( 6.069 -8.186 2.981) 10.617 3.085 ( -7.375 -6.391 0.115) 9.760 3.219 ( 0.956 -6.049 -7.532) 9.707 3.313 ( -3.856 -7.913 -12.681) 15.436 3.559 ( 1.828 -3.526 -1.117) 4.126 3.894 ( -11.178 -3.891 5.680) 13.129 3.954 ( 4.189 4.682 11.346) 12.969 4.308 ( -1.278 -0.596 -8.347) 8.465 4.368 ( 0.885 6.245 0.506) 6.328 4.520 ( 12.282 0.029 -1.450) 12.367 4.764 ( -1.216 10.843 11.869) 16.122 5.157 ( -9.498 -1.251 0.197) 9.582 5.227 ( 4.153 -4.952 -2.654) 6.987 5.529 ( 1.297 4.677 -5.996) 7.715 7.004 ( -0.645 -2.748 0.174) 2.828 7.522 ( -3.800 -3.862 -3.040) 6.213 7.804 ( -2.800 -2.169 -3.227) 4.791 8.043 ( -0.620 3.747 -5.235) 6.467 8.122 ( 1.075 5.827 1.210) 6.047 8.319 ( 1.511 -1.268 -0.071) 1.973 8.466 ( -5.139 -4.088 0.256) 6.572 8.600 ( -0.812 4.798 -0.293) 4.875 8.894 ( 7.352 0.054 1.246) 7.457 9.015 ( 4.003 6.897 -4.164) 8.996 9.242 ( -10.111 6.592 1.166) 12.126 9.484 ( -1.021 6.520 0.467) 6.616 9.701 ( -7.223 -1.266 -5.571) 9.209 10.221 ( 1.472 -1.662 -0.414) 2.258 10.269 ( 4.154 -4.377 -7.200) 9.394 10.373 ( -6.096 -1.491 -4.555) 7.754 10.529 ( -1.626 -4.081 8.745) 9.787 10.721 ( 6.808 3.600 1.070) 7.775 10.941 ( -7.873 4.062 -5.720) 10.546 11.190 ( 1.248 4.922 -4.919) 7.070 11.462 ( -4.835 -4.226 -3.933) 7.530 11.544 ( 1.513 1.563 0.949) 2.374 11.854 ( 0.799 -7.931 0.267) 7.976 12.207 ( 3.119 0.476 7.022) 7.698 12.494 ( 6.249 -4.029 3.763) 8.333 12.853 ( -3.155 -1.255 4.536) 5.666 13.118 ( -0.227 6.139 4.183) 7.432 13.390 ( 5.536 -8.229 0.779) 9.949 13.714 ( 0.711 1.379 -2.144) 2.646 13.844 ( 1.013 1.969 -7.023) 7.363 14.139 ( 2.367 -3.531 6.926) 8.126 14.369 ( -4.088 -0.870 -0.593) 4.221 14.818 ( -0.935 -2.202 3.535) 4.268 15.230 ( -0.280 10.411 2.615) 10.738 16.059 ( -2.027 0.477 1.061) 2.337 16.827 ( -0.652 -4.134 -4.271) 5.980 17.066 ( 2.854 -3.828 -2.189) 5.252 17.287 ( 3.198 -9.287 1.020) 9.875 17.751 ( -2.635 7.990 1.994) 8.647 18.167 ( -0.629 9.676 2.306) 9.967 18.863 ( 2.530 -7.936 -1.983) 8.563 19.519 ( -0.182 2.198 3.018) 3.738 ======================= Grid point 103 (52/90) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.518 -0.678 -0.904) 1.243 2.501 ( -3.645 -1.001 5.265) 6.482 2.611 ( -0.040 4.334 -6.727) 8.002 2.831 ( -5.122 0.821 -8.242) 9.738 2.960 ( -6.499 -1.811 4.046) 7.867 3.041 ( 6.324 -13.765 -4.065) 15.684 3.103 ( 1.873 4.454 3.838) 6.170 3.238 ( 11.034 -8.577 -1.143) 14.022 3.533 ( -0.134 -2.446 0.381) 2.479 3.796 ( -6.763 -2.076 3.441) 7.867 4.080 ( -5.875 -3.432 -6.533) 9.432 4.222 ( 6.234 3.771 8.463) 11.167 4.519 ( 4.518 6.285 1.605) 7.905 4.632 ( -0.088 3.500 2.660) 4.397 4.872 ( -2.680 2.793 0.573) 3.913 5.080 ( 2.531 0.029 0.207) 2.540 5.137 ( -3.870 -8.274 -2.376) 9.438 5.545 ( 0.967 6.667 -5.124) 8.464 7.002 ( -0.072 -2.060 4.242) 4.716 7.451 ( 0.477 -1.844 -0.633) 2.007 7.725 ( -0.992 0.597 -4.544) 4.689 8.016 ( 0.272 5.607 -4.722) 7.335 8.198 ( -1.321 5.934 2.803) 6.694 8.338 ( 1.962 -3.190 1.199) 3.933 8.372 ( -0.452 -4.641 0.273) 4.671 8.637 ( 0.214 3.525 0.545) 3.573 8.915 ( 1.064 3.690 -6.503) 7.552 9.093 ( -3.665 4.113 -1.946) 5.842 9.298 ( 6.540 11.425 3.236) 13.557 9.498 ( -6.283 0.141 1.468) 6.454 9.595 ( 2.426 -0.257 3.580) 4.332 10.188 ( 1.451 -0.904 -8.434) 8.605 10.220 ( -1.448 -3.802 -1.067) 4.206 10.276 ( 1.871 1.619 -4.322) 4.980 10.566 ( -2.517 -4.907 8.293) 9.960 10.799 ( -1.060 0.342 -0.832) 1.390 10.911 ( 4.048 8.399 0.746) 9.353 11.237 ( 3.590 9.127 -2.026) 10.014 11.323 ( -4.284 -0.731 -5.503) 7.013 11.545 ( -0.137 -2.846 -1.124) 3.063 11.780 ( -2.066 -7.189 -1.415) 7.613 12.277 ( -1.364 -2.739 5.406) 6.212 12.546 ( 1.126 -4.050 0.670) 4.257 12.851 ( -1.294 -2.619 4.208) 5.123 13.219 ( 2.002 0.896 3.065) 3.769 13.362 ( 1.028 -3.146 -3.924) 5.133 13.740 ( -3.289 -3.234 1.684) 4.911 13.767 ( 3.352 6.609 -8.123) 10.995 14.181 ( -5.010 -5.314 5.337) 9.045 14.344 ( 4.722 -1.384 1.463) 5.133 14.815 ( -1.314 -2.153 0.818) 2.651 15.323 ( -0.543 7.813 1.616) 7.996 16.069 ( 0.797 -0.972 2.841) 3.106 16.696 ( -2.395 -0.038 -8.992) 9.306 17.100 ( 1.840 -4.054 3.927) 5.936 17.278 ( 3.205 -7.719 2.779) 8.808 17.788 ( -2.843 6.167 1.619) 6.981 18.246 ( -0.174 8.288 -0.965) 8.346 18.804 ( 0.457 -7.129 -1.157) 7.237 19.559 ( 0.063 0.367 2.100) 2.133 ======================= Grid point 105 (53/90) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -4.458 -1.857 -4.133) 6.357 2.340 ( -8.785 -5.186 -3.591) 10.815 2.584 ( -6.990 2.529 1.457) 7.575 2.651 ( -5.864 -1.642 -8.907) 10.790 2.927 ( 4.415 -7.367 -7.700) 11.535 2.964 ( 1.763 0.087 3.624) 4.031 3.284 ( 4.234 2.607 5.467) 7.390 3.391 ( 10.616 2.206 5.785) 12.290 3.561 ( 3.052 1.066 3.393) 4.687 3.768 ( -2.102 -0.680 3.789) 4.386 3.888 ( -3.596 -5.229 -7.848) 10.093 4.428 ( 3.817 3.611 6.039) 8.005 4.494 ( -6.424 1.527 -0.018) 6.603 4.646 ( -9.137 -6.374 1.545) 11.248 4.820 ( -0.004 -4.144 -5.319) 6.743 5.022 ( 1.781 1.524 -0.320) 2.365 5.189 ( 6.541 1.421 0.599) 6.721 5.513 ( -2.673 6.116 -5.005) 8.343 7.072 ( 1.047 -0.979 7.994) 8.121 7.491 ( 4.662 1.178 0.825) 4.879 7.687 ( 1.208 3.254 -4.518) 5.698 8.036 ( 1.188 8.387 -2.763) 8.910 8.213 ( -3.741 1.444 1.729) 4.366 8.330 ( 1.107 -6.051 3.571) 7.113 8.428 ( 6.753 1.262 -1.575) 7.048 8.675 ( 0.303 2.315 0.956) 2.523 8.790 ( -9.094 -0.725 -4.233) 10.057 9.105 ( 6.849 3.001 -3.976) 8.469 9.376 ( -5.290 6.576 0.898) 8.487 9.541 ( 2.959 2.341 4.782) 6.092 9.799 ( 9.822 3.209 10.563) 14.777 10.088 ( 0.418 0.884 -9.830) 9.878 10.152 ( -2.528 0.219 -2.302) 3.426 10.298 ( 5.009 1.454 -4.121) 6.648 10.584 ( -1.843 -3.445 5.917) 7.091 10.802 ( -2.202 1.063 5.760) 6.258 11.068 ( 7.774 3.968 1.976) 8.949 11.224 ( -2.667 4.382 -5.585) 7.584 11.370 ( 4.520 12.913 0.163) 13.683 11.474 ( -1.764 -2.235 -6.124) 6.754 11.664 ( -2.893 -9.370 0.004) 9.806 12.267 ( -3.609 -4.349 3.641) 6.722 12.478 ( -4.072 -5.759 -1.552) 7.222 12.867 ( 0.919 -4.431 2.412) 5.128 13.210 ( 0.965 -5.695 -2.240) 6.195 13.327 ( -2.435 -1.450 1.002) 3.006 13.613 ( -6.669 3.190 -5.108) 8.985 13.826 ( 3.470 1.690 -2.679) 4.698 14.133 ( -1.222 -1.290 2.316) 2.919 14.453 ( 4.335 1.073 4.384) 6.258 14.762 ( -1.516 -5.491 -1.585) 5.912 15.355 ( -2.134 1.979 0.078) 2.911 16.130 ( 3.821 -3.647 4.725) 7.087 16.587 ( -2.585 5.779 -7.542) 9.847 17.088 ( -3.056 -1.403 0.580) 3.412 17.352 ( 7.689 -6.886 5.619) 11.752 17.804 ( -5.212 4.684 2.983) 7.616 18.254 ( 0.004 2.024 -4.281) 4.735 18.753 ( -0.766 -2.550 -0.273) 2.677 19.571 ( -0.208 -1.885 0.942) 2.118 ======================= Grid point 106 (54/90) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 2.620 -8.943 -10.635) 14.140 2.202 ( -17.293 0.955 9.024) 19.529 2.403 ( -12.068 -5.280 -3.610) 13.658 2.535 ( -1.634 -2.428 -2.547) 3.880 2.877 ( 4.809 0.526 -7.660) 9.059 3.063 ( 4.356 4.422 1.992) 6.518 3.366 ( -0.386 -0.078 2.290) 2.323 3.592 ( 6.618 -0.157 3.987) 7.728 3.719 ( 4.310 8.123 3.868) 9.976 3.755 ( 3.887 -1.802 -5.391) 6.886 3.816 ( 0.369 -0.428 8.410) 8.429 4.365 ( -10.581 1.861 1.667) 10.872 4.411 ( -8.129 -10.716 -6.149) 14.789 4.589 ( 6.460 0.041 -4.980) 8.156 4.617 ( -7.497 -10.851 0.919) 13.221 5.138 ( -6.740 6.336 3.457) 9.875 5.259 ( 13.720 0.291 -3.465) 14.154 5.528 ( 1.173 8.641 -0.129) 8.721 7.165 ( 0.226 -2.610 7.335) 7.788 7.561 ( 3.793 5.262 -4.109) 7.679 7.724 ( 3.607 4.008 0.652) 5.432 8.100 ( 0.956 8.465 -1.298) 8.618 8.188 ( -2.266 -1.860 1.283) 3.200 8.351 ( 2.887 -5.611 2.734) 6.877 8.488 ( 1.653 3.702 -1.037) 4.185 8.620 ( -1.750 -2.425 -4.212) 5.165 8.711 ( -3.321 0.625 1.558) 3.721 9.215 ( 10.227 1.363 -0.289) 10.321 9.390 ( -5.186 8.322 4.475) 10.778 9.653 ( 3.698 1.030 4.087) 5.607 9.992 ( 2.967 4.254 -3.916) 6.499 10.023 ( 2.690 -3.682 0.272) 4.568 10.101 ( -2.910 4.213 -3.425) 6.160 10.351 ( 6.953 1.332 -1.201) 7.181 10.616 ( 2.232 -0.747 2.475) 3.415 10.886 ( -1.237 2.053 10.153) 10.432 11.152 ( -2.385 3.342 -7.146) 8.242 11.196 ( 1.366 1.487 1.095) 2.297 11.331 ( -1.689 0.668 -8.321) 8.517 11.534 ( 2.296 12.595 1.756) 12.922 11.629 ( 4.181 -5.342 3.804) 7.777 12.200 ( -5.023 -6.018 2.054) 8.104 12.333 ( -5.948 -7.604 -2.106) 9.881 12.825 ( -2.960 -7.097 -0.549) 7.709 13.176 ( 4.702 -3.609 -3.940) 7.117 13.269 ( -5.128 -6.153 4.518) 9.196 13.545 ( -3.089 7.601 -1.357) 8.316 13.824 ( 0.288 3.453 -3.416) 4.865 14.183 ( 3.843 -0.083 1.971) 4.320 14.535 ( -0.388 5.070 -3.074) 5.942 14.681 ( 0.171 -9.217 3.432) 9.837 15.294 ( -4.287 -4.294 -1.536) 6.259 16.205 ( 4.800 -4.804 3.404) 7.596 16.536 ( -4.060 7.402 -3.241) 9.043 17.067 ( 0.068 2.909 -0.235) 2.919 17.440 ( 6.011 -4.928 -1.315) 7.883 17.805 ( -8.252 3.485 9.322) 12.929 18.184 ( 0.612 -5.571 -5.977) 8.194 18.749 ( 0.793 2.731 -0.425) 2.875 19.544 ( -1.147 -3.741 -0.145) 3.915 ======================= Grid point 107 (55/90) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 9.681 -10.565 -5.124) 15.218 2.058 ( -16.344 -3.173 6.610) 17.913 2.213 ( -8.832 -3.470 2.933) 9.932 2.487 ( -2.268 -1.080 2.135) 3.297 2.872 ( 5.354 5.214 -8.507) 11.323 3.187 ( 6.490 5.558 0.007) 8.545 3.330 ( -4.965 -2.582 0.951) 5.676 3.604 ( 2.604 -7.300 -2.077) 8.024 3.794 ( -0.894 6.893 1.102) 7.037 3.874 ( 2.227 3.157 6.911) 7.917 3.997 ( 6.071 5.073 5.799) 9.809 4.177 ( 3.549 -13.176 -10.888) 17.458 4.267 ( -12.730 2.429 5.685) 14.152 4.403 ( -4.381 -9.369 -0.919) 10.384 4.641 ( 5.037 1.930 -7.789) 9.474 5.052 ( -9.736 -1.726 3.528) 10.498 5.449 ( 9.571 5.931 -0.224) 11.262 5.624 ( 2.836 6.557 0.264) 7.149 7.178 ( -1.898 -3.826 1.337) 4.475 7.616 ( 4.567 7.928 -3.617) 9.838 7.811 ( 1.700 2.389 2.141) 3.630 8.136 ( -2.218 2.219 -0.180) 3.143 8.148 ( -1.407 -1.278 0.114) 1.904 8.379 ( 2.880 -2.649 0.971) 4.032 8.536 ( 0.836 -0.425 2.959) 3.104 8.584 ( 3.541 3.189 -3.648) 6.001 8.662 ( -5.344 -0.178 0.362) 5.359 9.344 ( 6.035 -0.842 0.867) 6.155 9.479 ( -0.546 9.853 4.682) 10.922 9.722 ( 0.808 1.988 -0.375) 2.178 9.946 ( -7.148 1.320 -5.097) 8.877 10.022 ( 7.914 -1.199 -3.076) 8.575 10.089 ( -0.678 0.814 1.451) 1.797 10.448 ( 6.115 -1.953 2.186) 6.781 10.647 ( -0.083 1.711 -4.208) 4.543 10.968 ( -3.282 -4.226 -4.260) 6.840 11.043 ( 2.662 8.199 3.114) 9.165 11.209 ( -2.767 2.590 0.245) 3.798 11.335 ( 2.673 2.083 2.594) 4.268 11.648 ( -0.330 9.184 1.295) 9.281 11.718 ( 3.132 1.044 -0.010) 3.302 12.103 ( -4.035 -7.985 1.129) 9.017 12.189 ( -3.071 -7.318 0.872) 7.984 12.693 ( -4.171 -8.520 -0.738) 9.515 13.145 ( 3.361 -2.735 -7.292) 8.482 13.248 ( -4.389 -3.776 9.898) 11.467 13.624 ( 3.988 8.726 1.695) 9.743 13.834 ( 0.533 4.598 -1.080) 4.753 14.251 ( 3.203 -0.352 1.656) 3.622 14.410 ( -4.575 -2.295 -9.884) 11.131 14.747 ( 2.097 -0.916 7.669) 8.003 15.151 ( -5.718 -7.815 -2.642) 10.037 16.250 ( -0.066 1.272 0.339) 1.318 16.517 ( -0.388 -1.225 2.154) 2.508 17.135 ( 3.781 6.604 0.211) 7.612 17.390 ( 0.458 -0.923 -8.528) 8.590 17.877 ( -5.279 1.612 14.054) 15.099 18.050 ( -0.906 -9.066 -7.119) 11.562 18.800 ( 3.735 4.066 -1.093) 5.628 19.485 ( -2.165 -4.314 -0.343) 4.839 ======================= Grid point 111 (56/90) ======================= q-point: ( 0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 21.637 -9.024 -1.045) 23.467 2.136 ( 22.670 -6.112 2.676) 23.632 2.552 ( -0.417 -1.621 -1.342) 2.145 2.607 ( -1.082 5.048 6.958) 8.664 3.017 ( 0.893 0.643 4.285) 4.424 3.138 ( -3.039 0.445 -1.688) 3.505 3.280 ( -7.216 -6.802 -0.951) 9.962 3.484 ( -1.979 -3.843 -3.650) 5.658 3.539 ( 8.306 -0.118 -0.602) 8.328 3.786 ( 15.561 -5.499 -6.066) 17.584 3.999 ( 2.210 2.517 5.899) 6.784 4.085 ( 6.988 2.300 -8.262) 11.062 4.233 ( -8.749 -4.186 7.567) 12.301 4.663 ( -8.914 -3.437 -6.422) 11.511 4.844 ( -5.902 3.830 13.034) 14.812 5.033 ( 6.032 12.440 1.204) 13.878 5.467 ( -7.631 0.241 -2.245) 7.958 5.550 ( -5.891 -0.115 -6.122) 8.497 7.034 ( -1.018 -0.806 1.573) 2.040 7.653 ( -4.291 -1.064 -4.120) 6.043 7.914 ( -5.074 -0.462 0.444) 5.115 8.065 ( 0.755 6.373 -3.264) 7.200 8.102 ( -1.462 1.937 0.560) 2.491 8.300 ( 0.146 -0.485 0.110) 0.518 8.476 ( 3.152 -2.903 -1.560) 4.561 8.598 ( 4.106 2.493 1.649) 5.079 8.804 ( -2.412 -6.167 -0.422) 6.635 9.008 ( -2.137 3.415 -5.221) 6.594 9.530 ( -12.393 7.169 1.603) 14.406 9.621 ( -7.177 6.260 -1.548) 9.648 9.884 ( -5.652 2.279 0.168) 6.096 10.124 ( 4.211 -2.782 -3.615) 6.208 10.243 ( -1.694 -1.677 -2.975) 3.812 10.481 ( 1.049 4.831 7.219) 8.749 10.573 ( 2.769 0.698 -2.151) 3.575 10.645 ( -7.852 -6.291 -3.322) 10.595 11.126 ( -3.723 0.387 -1.882) 4.189 11.251 ( -6.745 3.551 -8.527) 11.437 11.524 ( 1.187 -1.967 -1.852) 2.951 11.528 ( -0.714 2.074 2.509) 3.332 11.823 ( -0.720 -2.348 1.684) 2.978 12.013 ( 10.092 3.050 5.028) 11.680 12.317 ( 6.428 -5.957 4.119) 9.683 12.808 ( 5.535 -2.152 4.397) 7.390 13.022 ( 11.685 -4.911 0.270) 12.677 13.445 ( -8.647 0.580 4.218) 9.639 13.652 ( 3.306 -6.154 -0.909) 7.044 13.788 ( -2.230 6.485 -8.343) 10.799 14.107 ( 1.210 1.443 0.484) 1.945 14.452 ( -1.004 1.037 0.381) 1.493 14.849 ( -1.401 -4.019 3.607) 5.579 15.179 ( 4.575 3.926 3.020) 6.743 16.236 ( -11.651 4.191 2.183) 12.573 16.812 ( 1.449 -3.224 7.849) 8.608 16.945 ( 7.051 -0.375 -13.130) 14.908 17.239 ( -1.234 -7.987 -1.817) 8.284 17.738 ( 4.947 5.228 5.916) 9.316 18.231 ( -4.108 3.916 1.777) 5.948 18.771 ( 3.452 -4.468 -3.536) 6.662 19.502 ( 2.078 0.239 2.297) 3.107 ======================= Grid point 112 (57/90) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 16.498 -3.556 0.876) 16.900 2.400 ( 18.063 -5.437 -0.083) 18.864 2.505 ( 0.670 2.748 -1.664) 3.282 2.762 ( 3.081 2.204 7.843) 8.710 2.979 ( 1.115 -10.129 -7.579) 12.700 3.003 ( -7.430 -5.315 -12.578) 15.546 3.153 ( -4.410 1.695 6.033) 7.662 3.376 ( -10.055 3.085 2.320) 10.770 3.558 ( -1.795 -0.660 2.944) 3.511 4.011 ( -1.462 -0.401 -3.728) 4.025 4.047 ( 9.694 4.726 8.056) 13.461 4.171 ( 7.326 -1.818 0.425) 7.561 4.292 ( 11.065 -3.250 4.879) 12.522 4.430 ( -6.255 -0.371 -4.818) 7.904 4.903 ( -0.017 -4.126 2.192) 4.672 5.191 ( 0.678 9.384 0.462) 9.420 5.266 ( -11.420 -4.672 -3.800) 12.910 5.480 ( 0.672 5.309 -4.189) 6.796 7.042 ( -2.248 -0.995 5.263) 5.809 7.544 ( -4.441 -0.424 -2.832) 5.284 7.801 ( -6.401 -0.918 -3.187) 7.209 8.031 ( -1.597 4.637 -5.033) 7.028 8.172 ( 2.122 3.504 2.870) 5.002 8.309 ( -0.937 -0.071 1.819) 2.048 8.494 ( 0.023 0.239 -0.936) 0.967 8.625 ( -0.395 0.213 0.459) 0.642 8.753 ( 3.709 -2.939 -4.654) 6.637 9.050 ( 3.923 8.523 4.702) 10.495 9.446 ( -11.438 7.051 -0.780) 13.459 9.597 ( -4.168 5.807 3.050) 7.771 9.750 ( -9.614 -3.048 -2.614) 10.419 10.092 ( 3.404 0.517 -9.045) 9.678 10.202 ( 0.392 -1.848 -0.207) 1.901 10.410 ( -7.432 -3.101 -2.013) 8.301 10.620 ( 2.410 0.435 6.915) 7.336 10.667 ( 3.255 -0.572 1.996) 3.860 11.019 ( -7.440 3.813 -4.400) 9.447 11.185 ( -0.037 6.312 -1.413) 6.468 11.427 ( -2.620 -4.227 -5.069) 7.101 11.551 ( -1.471 2.731 -1.603) 3.492 11.795 ( 0.134 -4.112 -1.023) 4.240 12.222 ( 6.243 -1.288 6.698) 9.247 12.404 ( 7.373 -4.822 2.194) 9.079 12.895 ( 2.351 -2.744 3.712) 5.181 13.120 ( 7.395 -3.511 0.353) 8.194 13.370 ( -6.754 1.398 1.846) 7.140 13.698 ( 4.705 -3.272 1.427) 5.906 13.724 ( 1.609 5.789 -9.200) 10.988 14.158 ( 2.089 0.335 3.981) 4.508 14.393 ( -4.154 -3.930 -1.787) 5.991 14.856 ( -0.864 -1.354 2.555) 3.018 15.286 ( 3.660 2.910 1.286) 4.849 16.152 ( -7.800 0.628 2.995) 8.379 16.752 ( -0.904 1.915 -11.461) 11.655 17.007 ( 4.373 -2.751 6.665) 8.433 17.181 ( 2.813 -7.186 0.641) 7.743 17.880 ( -1.368 4.332 5.831) 7.392 18.228 ( 0.044 5.038 -2.707) 5.720 18.749 ( 3.176 -5.107 -1.387) 6.172 19.549 ( 1.218 -0.250 1.768) 2.161 ======================= Grid point 113 (58/90) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.908 -1.370 -1.343) 6.211 2.477 ( 2.736 5.137 -5.267) 7.849 2.537 ( 1.593 -9.675 -4.041) 10.606 2.719 ( 5.364 -15.297 -13.079) 20.828 2.776 ( 2.583 -0.562 -3.772) 4.607 2.968 ( 3.151 -1.255 6.461) 7.297 3.228 ( -1.194 6.839 6.657) 9.619 3.331 ( -10.725 9.511 5.434) 15.330 3.560 ( -2.403 -0.094 2.742) 3.647 3.916 ( -6.367 -2.888 1.507) 7.152 4.083 ( -9.616 -4.222 -5.449) 11.831 4.238 ( 6.084 1.926 5.669) 8.536 4.445 ( 15.068 4.310 1.439) 15.738 4.583 ( 9.340 -4.020 2.377) 10.443 4.816 ( -1.387 -8.495 -6.598) 10.846 5.088 ( -1.538 -2.223 -1.949) 3.333 5.187 ( -8.153 3.755 1.666) 9.129 5.523 ( 2.561 7.913 -4.007) 9.232 7.089 ( -2.152 -0.584 8.959) 9.233 7.479 ( -2.670 2.125 -0.811) 3.507 7.695 ( -3.146 1.233 -3.500) 4.865 8.010 ( 0.102 6.537 -3.850) 7.587 8.257 ( 4.401 -0.452 1.384) 4.636 8.315 ( -2.462 1.252 3.232) 4.251 8.424 ( -7.244 -1.463 0.837) 7.437 8.650 ( 0.965 0.541 0.113) 1.112 8.766 ( 8.628 1.031 -5.227) 10.140 9.223 ( -10.035 4.721 -2.598) 11.390 9.332 ( 4.101 9.551 0.651) 10.414 9.606 ( -5.948 -3.177 3.860) 7.770 9.670 ( -0.820 2.434 8.375) 8.760 10.049 ( 3.070 3.528 -8.213) 9.452 10.192 ( 0.331 -0.484 -1.608) 1.712 10.306 ( -6.128 1.484 -0.061) 6.305 10.681 ( -4.702 -2.361 6.288) 8.199 10.741 ( 7.025 -1.103 1.327) 7.234 10.963 ( -1.112 4.940 0.251) 5.069 11.272 ( 1.766 10.598 0.144) 10.745 11.306 ( -2.599 0.630 -4.482) 5.219 11.501 ( -1.367 -1.492 -4.495) 4.929 11.734 ( -1.391 -5.758 -1.553) 6.124 12.298 ( 1.434 -5.945 4.018) 7.318 12.468 ( 5.115 -3.763 -1.412) 6.505 12.898 ( -2.584 -5.477 3.214) 6.856 13.162 ( 3.659 -5.457 -1.450) 6.729 13.355 ( -1.074 5.221 0.371) 5.344 13.693 ( 2.104 5.048 -9.012) 10.542 13.722 ( 1.471 -3.250 0.789) 3.653 14.254 ( -2.668 -5.666 6.199) 8.812 14.291 ( 2.868 1.422 -0.826) 3.306 14.836 ( -2.783 -2.420 0.148) 3.691 15.347 ( 2.782 0.365 -0.648) 2.879 16.114 ( -3.082 -2.863 4.640) 6.263 16.642 ( -1.128 7.051 -9.836) 12.154 17.117 ( 3.971 -2.875 6.843) 8.418 17.191 ( 1.401 -4.889 1.992) 5.462 17.904 ( -4.222 2.500 2.504) 5.509 18.242 ( 2.511 1.926 -4.061) 5.148 18.745 ( 1.426 -2.028 0.055) 2.479 19.567 ( 0.421 -1.921 0.938) 2.178 ======================= Grid point 114 (59/90) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -3.302 -12.255 -15.285) 19.868 2.365 ( 0.954 -14.520 -11.107) 18.306 2.511 ( 1.458 4.696 -5.969) 7.733 2.643 ( 4.143 0.241 2.581) 4.887 2.848 ( 0.852 0.945 4.436) 4.615 3.030 ( -1.690 0.314 4.039) 4.389 3.349 ( -4.734 8.229 3.318) 10.056 3.389 ( 5.654 7.837 3.994) 10.457 3.582 ( 1.004 2.149 2.774) 3.650 3.791 ( -4.789 -6.307 -5.766) 9.796 3.937 ( -6.586 -3.304 7.362) 10.416 4.400 ( 7.282 1.494 -2.389) 7.809 4.442 ( -0.072 -16.018 -10.789) 19.313 4.630 ( -8.236 -2.995 -1.582) 8.905 4.702 ( 12.714 1.587 0.009) 12.813 5.079 ( -5.082 -1.128 3.400) 6.218 5.234 ( 1.991 8.754 5.849) 10.715 5.541 ( -1.296 7.619 -3.617) 8.533 7.169 ( -1.057 -1.851 9.159) 9.403 7.488 ( 0.900 5.491 -1.482) 5.758 7.671 ( -0.229 3.774 0.723) 3.850 8.048 ( 2.192 8.021 -2.239) 8.611 8.276 ( 0.051 -1.035 -1.851) 2.121 8.335 ( -3.849 -5.843 3.547) 7.845 8.364 ( 0.948 3.907 1.209) 4.198 8.683 ( 2.696 -0.072 1.296) 2.992 8.804 ( 0.489 -0.623 -3.975) 4.053 9.017 ( -3.728 1.461 -6.798) 7.889 9.504 ( 0.465 8.208 3.075) 8.777 9.610 ( -0.867 -0.867 7.281) 7.383 9.836 ( 5.655 1.844 9.412) 11.133 10.030 ( -1.301 7.730 -4.586) 9.081 10.169 ( -0.051 2.519 -2.947) 3.878 10.259 ( -3.625 2.891 0.015) 4.637 10.650 ( -3.596 -3.177 2.918) 5.616 10.860 ( 5.342 -1.231 6.791) 8.728 11.046 ( 3.710 3.541 3.048) 5.966 11.230 ( -1.183 4.253 -4.059) 5.997 11.381 ( -1.926 -2.553 -10.187) 10.677 11.423 ( 2.862 12.469 0.113) 12.793 11.661 ( -2.254 -5.229 3.230) 6.547 12.283 ( -0.704 -7.873 2.108) 8.180 12.432 ( -0.271 -4.934 -4.525) 6.700 12.845 ( -1.365 -7.152 1.545) 7.443 13.102 ( 0.873 -6.880 -4.531) 8.285 13.375 ( -2.585 -0.494 1.094) 2.850 13.631 ( -0.607 3.273 -5.028) 6.030 13.760 ( 3.930 3.326 -2.149) 5.579 14.172 ( -3.975 -1.736 0.302) 4.348 14.444 ( 6.469 1.140 6.323) 9.117 14.748 ( -4.499 -5.078 -1.483) 6.944 15.343 ( 0.907 -3.893 -2.272) 4.598 16.128 ( 0.504 -5.292 5.995) 8.012 16.618 ( -1.164 13.088 -5.475) 14.235 17.154 ( -5.386 -1.878 1.856) 5.998 17.230 ( 7.756 -3.485 2.041) 8.745 17.911 ( -0.122 0.405 2.550) 2.585 18.204 ( -1.099 -2.993 -3.686) 4.874 18.751 ( -0.328 2.306 -0.762) 2.451 19.551 ( 0.065 -4.174 -0.161) 4.178 ======================= Grid point 115 (60/90) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.290 -14.380 -13.220) 19.809 2.111 ( 5.127 -19.647 -15.120) 25.317 2.468 ( -5.753 1.812 -0.268) 6.037 2.725 ( -5.890 5.506 5.805) 9.935 2.884 ( -3.477 2.315 3.064) 5.180 3.066 ( -0.330 6.248 1.440) 6.421 3.387 ( -1.274 6.185 -0.532) 6.337 3.462 ( 4.596 -11.940 -4.734) 13.642 3.678 ( 7.552 -0.694 0.808) 7.627 3.737 ( 6.449 4.746 0.181) 8.009 3.909 ( -4.274 -5.065 -2.064) 6.941 4.135 ( -1.298 -8.761 -3.989) 9.713 4.430 ( -4.079 -2.854 -3.479) 6.074 4.545 ( -1.996 2.863 -0.254) 3.499 4.858 ( 0.660 -0.591 7.862) 7.912 5.049 ( 0.932 -0.517 -1.857) 2.141 5.354 ( -5.489 9.392 6.663) 12.757 5.586 ( 1.909 9.477 0.204) 9.670 7.207 ( -0.634 -4.867 2.837) 5.669 7.539 ( 1.431 8.921 -1.827) 9.218 7.761 ( 1.534 4.078 6.227) 7.600 8.127 ( 3.131 7.134 -1.365) 7.910 8.220 ( -3.639 0.217 -1.633) 3.995 8.307 ( 0.998 -5.978 2.225) 6.456 8.428 ( 5.335 2.105 -1.257) 5.871 8.658 ( -8.264 -0.847 -1.546) 8.450 8.734 ( 0.387 -1.664 -0.273) 1.730 9.050 ( 10.310 2.180 -2.767) 10.895 9.578 ( -1.796 3.988 4.842) 6.525 9.691 ( 0.289 -2.192 7.677) 7.989 9.968 ( 0.903 13.168 -4.051) 13.807 10.032 ( -3.172 -0.378 3.771) 4.942 10.184 ( -4.163 7.869 0.381) 8.910 10.272 ( 5.208 0.481 1.206) 5.367 10.620 ( -1.091 -1.739 1.533) 2.562 11.004 ( 3.024 1.039 6.011) 6.809 11.091 ( -3.232 -4.315 -4.546) 7.052 11.215 ( -0.272 2.773 -3.144) 4.201 11.255 ( 3.822 3.110 -2.544) 5.546 11.537 ( 5.223 4.803 1.295) 7.212 11.707 ( -1.402 6.319 5.851) 8.725 12.206 ( -2.585 -10.025 0.101) 10.353 12.303 ( -3.515 -5.409 -5.087) 8.215 12.774 ( -1.374 -8.554 -1.748) 8.838 13.009 ( 3.925 -8.020 -5.615) 10.548 13.315 ( -2.902 -5.972 2.391) 7.057 13.646 ( -1.006 9.525 -0.083) 9.579 13.806 ( 1.818 5.358 -2.380) 6.138 14.149 ( 1.418 -1.288 0.564) 1.997 14.555 ( -3.049 3.744 -3.775) 6.129 14.659 ( 2.148 -7.884 6.953) 10.729 15.259 ( -1.805 -7.691 -3.242) 8.539 16.182 ( 2.347 -5.000 6.938) 8.869 16.651 ( -4.637 12.865 -1.823) 13.796 17.096 ( -2.198 2.171 -1.000) 3.247 17.301 ( 5.615 -1.898 -2.864) 6.583 17.951 ( 3.060 -4.273 1.643) 5.507 18.102 ( -5.385 -4.366 0.678) 6.965 18.754 ( -0.256 4.997 -2.674) 5.673 19.504 ( 0.089 -6.057 -1.046) 6.147 ======================= Grid point 116 (61/90) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 11.834 -15.755 -7.970) 21.255 1.872 ( 7.339 -18.936 -13.860) 24.587 2.405 ( -7.278 -1.563 5.370) 9.178 2.712 ( -8.215 3.774 4.009) 9.890 2.862 ( -5.190 3.723 -0.144) 6.389 3.150 ( 2.967 7.047 -0.670) 7.676 3.303 ( 7.325 -14.887 -7.725) 18.302 3.462 ( 4.992 -3.768 0.217) 6.258 3.601 ( 4.695 -12.786 -14.002) 19.534 3.801 ( 3.276 6.933 -4.391) 8.837 3.967 ( 3.836 6.866 5.413) 9.548 4.179 ( -1.385 -0.786 12.030) 12.135 4.326 ( -2.009 -0.016 -2.270) 3.031 4.496 ( -2.699 2.146 -5.593) 6.570 4.818 ( -20.213 5.728 8.880) 22.809 5.095 ( 7.266 -6.520 0.625) 9.783 5.437 ( -2.278 9.316 5.061) 10.844 5.698 ( 0.744 9.677 1.415) 9.808 7.152 ( -0.780 -4.640 -3.063) 5.614 7.621 ( 1.426 8.917 0.270) 9.034 7.865 ( -0.661 1.597 5.606) 5.867 8.160 ( -1.291 -2.285 -0.742) 2.728 8.184 ( -1.205 5.478 -1.438) 5.790 8.317 ( 4.059 -3.509 0.296) 5.374 8.464 ( 0.898 -1.564 -4.717) 5.050 8.614 ( 1.437 3.712 5.634) 6.898 8.694 ( -1.670 -2.094 -2.651) 3.768 9.176 ( 9.327 0.977 -3.262) 9.929 9.642 ( 0.459 2.973 3.875) 4.906 9.753 ( 0.742 -1.820 4.385) 4.806 9.975 ( -7.086 0.156 2.565) 7.538 10.061 ( -3.335 14.239 0.609) 14.637 10.158 ( -6.056 4.683 0.215) 7.658 10.389 ( 5.879 -0.208 3.003) 6.604 10.624 ( -0.382 1.616 -2.759) 3.220 10.876 ( -1.496 -3.762 -9.200) 10.051 11.102 ( 2.267 -2.351 6.598) 7.362 11.246 ( -0.246 6.156 -2.497) 6.648 11.348 ( 3.227 2.929 3.553) 5.622 11.684 ( 4.741 2.973 3.242) 6.467 11.786 ( -2.264 6.066 3.409) 7.317 12.072 ( -2.390 -10.997 -2.168) 11.461 12.167 ( -3.195 -3.755 -3.011) 5.777 12.646 ( -1.759 -10.268 -1.505) 10.526 12.952 ( 6.255 -7.067 -7.638) 12.142 13.312 ( 1.398 -4.795 6.547) 8.234 13.729 ( -1.127 11.798 1.743) 11.980 13.848 ( 1.122 4.451 0.178) 4.593 14.187 ( 4.756 -0.721 -0.713) 4.863 14.401 ( -8.077 -2.258 -4.968) 9.748 14.781 ( 4.337 -0.774 7.188) 8.431 15.115 ( -3.818 -9.009 -3.060) 10.252 16.275 ( 2.790 -2.764 8.239) 9.127 16.621 ( -8.872 5.959 0.471) 10.698 17.131 ( 3.898 7.128 -1.988) 8.364 17.269 ( 0.774 0.518 -8.839) 8.888 17.887 ( 1.400 -11.200 -6.413) 12.982 18.092 ( -3.899 -0.871 10.788) 11.504 18.768 ( 1.901 5.688 -3.708) 7.051 19.446 ( 0.531 -6.376 -0.824) 6.451 ======================= Grid point 119 (62/90) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 23.519 -5.686 3.368) 24.430 1.755 ( 27.619 -7.687 3.302) 28.858 2.484 ( 1.230 2.183 -6.216) 6.702 2.735 ( 1.221 -2.763 11.163) 11.564 2.999 ( 18.559 -9.340 -2.585) 20.937 3.077 ( 11.457 -3.403 10.886) 16.167 3.253 ( -7.111 -4.038 -7.767) 11.278 3.399 ( 0.898 5.381 0.633) 5.492 3.554 ( -5.255 -1.427 1.440) 5.633 3.611 ( -0.386 0.453 0.291) 0.663 3.965 ( 0.506 7.442 -7.086) 10.288 4.128 ( -2.604 4.776 5.653) 7.846 4.396 ( -7.348 -5.299 6.995) 11.446 4.590 ( -1.096 -5.657 -8.932) 10.630 4.991 ( 2.784 4.334 -0.010) 5.151 5.094 ( -6.500 2.332 -0.565) 6.929 5.572 ( -8.597 2.193 0.199) 8.875 5.600 ( -9.407 3.695 -5.593) 11.551 7.071 ( 0.963 -1.132 4.599) 4.833 7.652 ( -5.037 0.726 -5.191) 7.269 8.011 ( -6.396 -0.186 -1.385) 6.547 8.048 ( 2.551 5.431 -0.905) 6.068 8.145 ( -2.428 0.074 1.096) 2.665 8.317 ( 2.045 1.588 1.396) 2.941 8.383 ( 3.210 -2.255 0.225) 3.929 8.589 ( 4.990 1.452 4.969) 7.190 8.761 ( -3.960 -4.176 -5.175) 7.740 9.040 ( -1.343 4.505 -0.852) 4.777 9.666 ( -2.789 4.016 -3.914) 6.263 9.811 ( -10.688 0.567 4.474) 11.600 9.981 ( -7.062 1.117 0.072) 7.150 10.046 ( -1.095 4.483 -3.653) 5.886 10.247 ( -4.211 0.673 -2.561) 4.974 10.485 ( 1.906 -0.251 -5.942) 6.245 10.619 ( -0.877 -2.307 6.332) 6.796 10.671 ( -7.854 -1.273 1.273) 8.058 11.167 ( 0.031 1.996 0.941) 2.207 11.250 ( -5.590 0.596 -8.170) 9.917 11.422 ( 2.881 -1.830 -4.228) 5.433 11.638 ( -2.775 6.434 1.915) 7.264 11.847 ( -2.146 1.834 -4.656) 5.445 11.968 ( 6.994 -0.951 10.213) 12.415 12.214 ( 7.235 -6.318 2.036) 9.819 12.716 ( 10.532 -4.774 1.966) 11.729 12.825 ( 12.631 -4.251 3.600) 13.805 13.461 ( 4.765 -1.477 -3.445) 6.062 13.681 ( -10.000 1.866 -0.743) 10.200 13.823 ( -5.189 6.185 -4.194) 9.097 14.104 ( 1.745 0.621 2.093) 2.794 14.459 ( -0.936 -3.061 0.269) 3.212 14.855 ( 0.906 -0.436 -1.051) 1.454 15.136 ( 6.568 -2.345 2.797) 7.514 16.463 ( -12.024 2.322 -2.635) 12.526 16.699 ( 3.397 2.826 -10.891) 11.753 16.910 ( 0.591 -1.459 12.374) 12.473 17.197 ( -3.091 -4.964 -1.012) 5.935 17.753 ( 9.151 1.952 7.563) 12.032 18.282 ( -0.933 -0.252 -2.110) 2.321 18.692 ( -0.763 -0.608 -1.577) 1.854 19.465 ( 5.267 -2.023 1.107) 5.749 ======================= Grid point 120 (63/90) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 20.452 0.281 3.197) 20.702 2.088 ( 22.046 -6.992 5.096) 23.683 2.493 ( 3.739 2.467 -1.418) 4.699 2.722 ( -5.305 -9.662 -6.474) 12.783 2.875 ( -6.979 -9.740 -6.970) 13.862 3.020 ( -6.597 5.663 -0.502) 8.708 3.301 ( -2.551 3.738 4.481) 6.368 3.547 ( 1.854 0.105 4.983) 5.318 3.628 ( -4.496 4.213 3.578) 7.125 3.782 ( 32.506 -1.010 10.696) 34.235 3.934 ( 0.199 6.751 -7.072) 9.779 4.224 ( -1.196 1.425 4.919) 5.259 4.349 ( -7.654 -3.242 -1.681) 8.480 4.389 ( -0.065 -3.387 -0.590) 3.439 4.855 ( -7.255 -13.397 -3.856) 15.715 5.197 ( 7.656 5.989 -2.127) 9.950 5.341 ( -11.347 1.467 -5.621) 12.748 5.552 ( -7.097 6.408 -0.417) 9.571 7.135 ( -0.172 -1.581 7.336) 7.507 7.547 ( -3.513 2.584 -4.805) 6.489 7.875 ( -6.914 0.011 -3.844) 7.911 8.062 ( -4.491 4.757 -0.708) 6.580 8.177 ( 2.305 -0.194 2.040) 3.084 8.364 ( 0.277 0.496 2.124) 2.199 8.447 ( 4.922 2.134 1.009) 5.459 8.628 ( -2.037 -0.365 -3.642) 4.188 8.689 ( 0.428 -1.238 0.962) 1.626 9.117 ( 3.813 8.210 4.375) 10.055 9.602 ( -7.424 3.964 -3.618) 9.161 9.735 ( -7.458 0.291 2.158) 7.769 9.855 ( -10.771 -1.988 1.579) 11.067 9.991 ( -0.407 4.407 -7.426) 8.645 10.167 ( 0.118 -2.525 -2.221) 3.365 10.447 ( 0.463 2.096 -2.801) 3.529 10.575 ( 0.406 -3.373 1.606) 3.758 10.775 ( -0.853 1.764 10.983) 11.157 11.081 ( -7.296 1.368 -4.610) 8.738 11.234 ( 1.901 4.606 1.215) 5.129 11.361 ( -0.890 -1.598 -4.791) 5.129 11.612 ( -6.640 5.235 -2.674) 8.869 11.764 ( -2.057 -0.444 -3.442) 4.034 12.177 ( 8.062 -4.581 6.320) 11.222 12.273 ( 7.620 -5.587 0.033) 9.449 12.812 ( 8.354 -5.660 -0.107) 10.091 12.999 ( 8.891 -1.650 4.393) 10.054 13.489 ( 4.947 -2.022 -4.500) 6.986 13.559 ( -7.427 3.228 -0.959) 8.155 13.768 ( -4.226 6.149 -2.120) 7.756 14.178 ( 2.802 2.300 3.269) 4.881 14.389 ( -3.364 -6.420 0.161) 7.250 14.857 ( 1.325 0.687 -2.196) 2.655 15.220 ( 6.138 -4.869 1.594) 7.995 16.303 ( -9.399 -1.621 -0.212) 9.540 16.623 ( 1.555 3.642 -10.305) 11.040 17.041 ( 0.951 0.907 4.943) 5.114 17.166 ( -0.196 -2.541 7.320) 7.750 17.950 ( 5.562 -0.962 7.213) 9.159 18.191 ( -2.252 -0.371 -8.322) 8.629 18.695 ( 1.167 0.871 1.185) 1.878 19.522 ( 3.616 -2.194 0.884) 4.321 ======================= Grid point 121 (64/90) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 9.971 0.182 -0.950) 10.018 2.261 ( 7.550 -10.636 -6.339) 14.502 2.390 ( -0.825 -14.780 -13.629) 20.121 2.549 ( 0.976 0.198 -2.104) 2.328 2.717 ( 1.794 1.707 7.118) 7.536 3.079 ( -2.097 7.694 3.912) 8.882 3.331 ( -0.779 1.180 2.814) 3.149 3.606 ( -7.177 8.197 3.749) 11.522 3.631 ( -3.568 1.700 2.969) 4.944 3.922 ( 1.553 3.533 -3.954) 5.525 4.073 ( -3.668 -4.779 -11.630) 13.098 4.230 ( 1.905 -3.306 6.088) 7.185 4.303 ( 10.784 -2.298 4.381) 11.865 4.498 ( 2.293 -1.376 3.157) 4.137 4.644 ( 6.390 -10.673 -1.385) 12.516 5.087 ( -5.171 -4.422 -3.350) 7.583 5.338 ( -4.786 8.476 0.120) 9.734 5.535 ( -0.147 8.489 -0.882) 8.536 7.202 ( -0.221 -3.145 6.840) 7.532 7.498 ( -1.914 6.361 -2.768) 7.197 7.768 ( -5.674 2.212 -0.576) 6.117 8.043 ( -2.734 6.212 -0.748) 6.829 8.203 ( 2.179 -3.178 -0.139) 3.856 8.395 ( -0.718 -0.597 4.153) 4.257 8.508 ( -3.073 5.222 -1.980) 6.374 8.606 ( 5.136 -1.326 -1.244) 5.448 8.660 ( -0.719 -2.096 -0.348) 2.243 9.343 ( 7.623 10.925 5.514) 14.418 9.365 ( -15.175 -0.187 -9.305) 17.802 9.682 ( -3.063 -1.446 1.733) 3.804 9.812 ( -3.867 -0.982 9.474) 10.280 9.992 ( 2.039 6.223 -2.224) 6.915 10.151 ( 2.207 0.528 -2.952) 3.723 10.445 ( -5.249 6.083 1.837) 8.242 10.614 ( 6.217 -2.512 0.524) 6.726 10.852 ( -7.480 0.825 7.651) 10.732 10.994 ( 0.061 0.237 -0.025) 0.246 11.254 ( 0.277 0.659 -5.444) 5.491 11.345 ( 1.439 4.836 -0.490) 5.069 11.511 ( -7.285 4.936 -3.096) 9.329 11.705 ( -1.365 -2.607 -0.391) 2.969 12.235 ( 4.063 -8.856 1.379) 9.840 12.333 ( 6.766 -3.308 -2.870) 8.060 12.843 ( 4.975 -8.359 -1.030) 9.782 13.107 ( 0.592 -2.044 3.451) 4.055 13.404 ( -1.860 -0.989 -5.094) 5.513 13.560 ( 3.803 4.033 -4.165) 6.933 13.749 ( -3.122 3.762 -0.004) 4.889 14.269 ( 0.976 2.476 -1.787) 3.206 14.323 ( -1.236 -4.411 8.508) 9.663 14.830 ( -0.533 -1.428 -3.440) 3.762 15.258 ( 4.769 -6.833 0.028) 8.333 16.196 ( -5.513 -3.771 2.975) 7.312 16.589 ( 3.044 7.424 -7.550) 11.018 17.079 ( 1.437 1.618 0.078) 2.165 17.274 ( -1.197 -1.554 10.952) 11.126 17.962 ( -4.710 -1.355 -5.118) 7.086 18.137 ( 6.205 -4.068 -0.447) 7.433 18.744 ( 0.722 3.728 0.999) 3.927 19.540 ( 1.378 -3.621 0.248) 3.883 ======================= Grid point 122 (65/90) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -7.096 -15.795 -16.108) 23.649 2.041 ( -2.051 -21.007 -15.423) 26.142 2.351 ( 10.901 3.721 -4.420) 12.338 2.723 ( 8.186 5.518 6.452) 11.793 2.886 ( 0.970 0.240 11.462) 11.506 3.122 ( -2.520 7.365 -1.454) 7.919 3.365 ( 2.489 -0.792 -0.018) 2.612 3.583 ( -7.144 2.565 1.862) 7.816 3.636 ( -2.332 5.012 0.500) 5.550 3.729 ( -11.833 -11.410 -7.613) 18.115 3.979 ( 2.413 -4.448 -3.875) 6.373 4.151 ( 0.713 -4.505 -11.038) 11.944 4.345 ( 8.449 -1.339 3.836) 9.375 4.642 ( -1.004 2.131 5.720) 6.186 4.677 ( -0.670 -3.090 1.999) 3.741 5.116 ( 7.545 1.557 3.618) 8.511 5.351 ( -1.360 7.724 4.281) 8.935 5.604 ( -1.454 9.886 -0.250) 9.996 7.216 ( 0.321 -5.195 0.903) 5.283 7.536 ( -1.309 9.679 1.746) 9.922 7.761 ( -1.687 3.905 3.925) 5.788 8.068 ( -0.172 6.723 -0.734) 6.765 8.203 ( 3.119 -2.855 -1.355) 4.441 8.398 ( -4.674 -3.603 3.526) 6.875 8.438 ( -5.414 3.302 -3.180) 7.094 8.610 ( 4.830 -4.043 -2.608) 6.817 8.730 ( 6.241 0.986 2.424) 6.767 9.075 ( -12.850 0.735 -6.308) 14.334 9.550 ( 3.888 5.435 1.911) 6.950 9.699 ( 0.601 3.210 6.293) 7.090 9.888 ( 0.148 -1.191 6.814) 6.919 10.076 ( 4.204 5.138 1.558) 6.819 10.156 ( -0.838 6.842 -2.413) 7.303 10.436 ( -9.417 8.089 3.745) 12.967 10.672 ( 1.532 -4.697 2.568) 5.568 10.848 ( 1.668 1.271 3.505) 4.084 11.051 ( 3.903 1.090 0.999) 4.174 11.201 ( 0.168 -2.910 -3.740) 4.742 11.299 ( -3.299 1.078 -6.649) 7.501 11.498 ( -1.918 8.301 0.469) 8.533 11.713 ( 0.035 1.291 5.473) 5.623 12.208 ( 2.333 -9.642 -1.113) 9.983 12.316 ( 2.913 -4.014 -6.059) 7.830 12.795 ( 0.936 -9.774 -1.323) 9.907 13.027 ( -5.838 -6.418 -3.724) 9.441 13.354 ( 2.612 -4.181 -2.763) 5.651 13.621 ( 2.026 9.235 -0.744) 9.484 13.746 ( -0.442 3.091 -0.162) 3.127 14.214 ( -3.825 -0.424 -0.944) 3.963 14.465 ( 4.431 1.373 8.560) 9.735 14.741 ( -3.105 -4.557 -3.384) 6.470 15.241 ( 2.681 -8.108 -1.703) 8.708 16.169 ( -1.734 -4.561 6.180) 7.874 16.650 ( 4.404 12.653 -4.433) 14.112 17.113 ( 2.524 0.766 -1.331) 2.954 17.309 ( -6.993 -1.524 6.365) 9.578 17.840 ( 2.890 -2.637 -8.624) 9.470 18.176 ( 1.197 -6.178 4.293) 7.618 18.780 ( -0.837 6.046 -1.394) 6.260 19.508 ( -0.297 -5.802 -0.651) 5.845 ======================= Grid point 123 (66/90) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.411 -18.555 -13.609) 23.015 1.695 ( 3.689 -23.519 -15.698) 28.517 2.431 ( 4.429 3.661 -4.062) 7.037 2.856 ( 2.799 -11.590 -1.148) 11.978 2.956 ( -7.202 2.557 3.991) 8.622 3.073 ( 1.495 -7.205 -6.711) 9.959 3.276 ( -3.995 -9.216 -5.875) 11.637 3.420 ( 3.519 -0.314 -4.547) 5.758 3.599 ( -8.457 5.141 5.850) 11.497 3.728 ( 3.765 8.019 -0.979) 8.913 3.876 ( 0.044 1.649 -4.609) 4.896 4.156 ( 2.632 3.021 2.335) 4.637 4.467 ( -1.081 -3.646 2.957) 4.818 4.590 ( -1.425 -0.143 1.311) 1.942 4.748 ( 5.231 0.119 2.863) 5.964 5.208 ( -5.259 4.145 4.680) 8.169 5.525 ( 4.314 10.362 5.697) 12.587 5.651 ( -2.300 9.442 1.272) 9.801 7.160 ( 0.214 -5.600 -3.438) 6.575 7.627 ( -1.560 9.951 3.101) 10.539 7.858 ( 1.669 3.210 6.778) 7.683 8.107 ( 1.056 4.288 -1.875) 4.797 8.208 ( 2.059 -0.866 -1.778) 2.855 8.309 ( -4.588 -3.813 0.073) 5.966 8.388 ( -0.020 0.444 -1.549) 1.612 8.622 ( 6.305 -3.496 -4.156) 8.321 8.792 ( -7.102 0.252 2.691) 7.599 8.964 ( 3.096 3.871 0.099) 4.957 9.598 ( 1.665 -2.718 1.677) 3.602 9.813 ( -4.452 0.220 9.130) 10.160 9.991 ( 6.252 8.937 1.467) 11.005 10.138 ( 0.587 8.153 -4.626) 9.392 10.237 ( 1.331 6.418 5.542) 8.584 10.403 ( -10.537 7.152 3.872) 13.310 10.659 ( -2.853 -4.747 5.155) 7.566 10.925 ( 1.193 2.884 -9.654) 10.146 11.117 ( -1.938 -9.897 6.079) 11.775 11.124 ( 9.649 -0.055 0.282) 9.653 11.257 ( 0.138 6.117 -1.644) 6.335 11.561 ( 0.907 5.056 3.265) 6.087 11.817 ( 0.780 4.775 4.110) 6.348 12.116 ( -0.371 -9.939 -3.943) 10.699 12.231 ( 0.218 -3.464 -5.966) 6.903 12.697 ( -1.169 -9.986 -2.875) 10.457 12.836 ( -0.651 -10.601 -7.096) 12.773 13.329 ( -1.283 -2.631 2.205) 3.665 13.714 ( 0.916 8.135 0.933) 8.239 13.800 ( 3.499 5.494 0.131) 6.515 14.156 ( -2.898 0.062 -0.559) 2.952 14.580 ( -3.681 2.613 -4.129) 6.118 14.660 ( 3.171 -6.441 8.535) 11.153 15.166 ( 0.055 -8.676 -2.980) 9.174 16.215 ( 0.837 -5.581 9.424) 10.984 16.770 ( 1.418 15.964 -2.779) 16.266 17.099 ( -0.843 0.320 -3.815) 3.920 17.262 ( -3.464 0.640 0.783) 3.609 17.782 ( 5.921 -6.964 -7.318) 11.709 18.181 ( -1.858 -5.875 6.396) 8.882 18.782 ( -2.123 7.470 -3.670) 8.589 19.436 ( -0.432 -7.781 -1.226) 7.889 ======================= Grid point 124 (67/90) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 10.022 -20.355 -8.988) 24.404 1.430 ( 9.296 -24.196 -13.051) 29.021 2.448 ( 1.160 -1.108 -0.816) 1.800 2.547 ( 10.915 -38.553 -18.920) 44.311 2.796 ( -3.826 -2.559 -6.152) 7.683 3.068 ( -0.291 -1.963 -1.666) 2.590 3.240 ( -3.128 5.544 6.105) 8.820 3.485 ( 2.689 7.969 0.818) 8.450 3.571 ( -9.410 3.251 5.097) 11.184 3.747 ( 0.937 5.878 -7.680) 9.717 3.997 ( 7.260 6.144 3.491) 10.131 4.248 ( 3.159 5.303 -0.054) 6.173 4.386 ( -6.345 -6.901 4.531) 10.412 4.550 ( -7.321 3.687 -1.257) 8.293 4.911 ( 12.470 -4.962 3.103) 13.775 5.180 ( -12.225 7.923 5.329) 15.512 5.659 ( -7.125 8.852 6.003) 12.852 5.750 ( 4.078 10.120 0.486) 10.921 7.072 ( 0.161 -4.967 -4.216) 6.517 7.708 ( -1.491 8.271 2.264) 8.704 7.970 ( -0.578 0.934 7.123) 7.207 8.099 ( 1.623 -1.249 -4.091) 4.575 8.205 ( 0.175 2.499 -2.122) 3.283 8.255 ( 0.375 -4.165 0.435) 4.204 8.397 ( 2.725 -0.129 -2.499) 3.700 8.601 ( 2.866 -3.660 -6.273) 7.808 8.743 ( -5.137 4.416 5.718) 8.864 9.078 ( 5.249 2.611 0.487) 5.882 9.626 ( 3.552 -5.527 3.709) 7.545 9.831 ( -4.724 2.064 5.138) 7.279 10.069 ( -1.880 0.504 -0.616) 2.041 10.249 ( -0.276 21.122 0.279) 21.125 10.327 ( -2.705 7.312 -0.964) 7.856 10.388 ( -2.508 -0.495 7.409) 7.838 10.639 ( -5.499 -0.424 1.103) 5.624 10.781 ( -0.741 0.816 -5.221) 5.336 11.090 ( 1.293 -9.668 3.996) 10.541 11.281 ( 0.727 7.470 1.069) 7.581 11.364 ( 6.227 2.975 4.897) 8.462 11.676 ( 5.599 0.746 5.128) 7.629 11.821 ( -0.193 -3.922 -5.582) 6.825 11.988 ( -2.556 -7.840 -0.947) 8.301 12.155 ( -1.453 2.900 -4.851) 5.836 12.541 ( -0.280 -13.075 -4.473) 13.822 12.722 ( 4.925 -8.824 -6.386) 11.955 13.354 ( -0.405 0.106 6.609) 6.622 13.799 ( 2.651 5.732 0.357) 6.325 13.890 ( 0.679 4.720 2.012) 5.176 14.137 ( 0.851 2.577 -1.789) 3.251 14.443 ( -6.746 -3.161 -2.266) 7.786 14.794 ( 4.360 -0.355 6.280) 7.654 15.051 ( -1.799 -8.179 -2.703) 8.800 16.323 ( 3.010 -6.845 13.310) 15.267 16.813 ( -8.332 11.802 -1.150) 14.492 17.065 ( 3.100 5.949 -8.650) 10.947 17.230 ( -2.428 2.636 -2.346) 4.283 17.695 ( 3.334 -10.550 -6.607) 12.887 18.198 ( -0.294 -4.952 6.380) 8.082 18.769 ( -1.296 7.411 -3.813) 8.435 19.365 ( 1.334 -8.106 -0.704) 8.245 ======================= Grid point 152 (68/90) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.000 0.000 20.422) 20.422 1.828 ( -0.000 0.000 20.422) 20.422 3.012 ( 0.000 -0.000 -2.482) 2.482 3.012 ( 0.000 -0.000 -2.482) 2.482 3.035 ( -0.000 0.000 14.565) 14.565 3.203 ( -0.000 0.000 12.014) 12.014 3.545 ( 0.000 -0.000 -7.505) 7.505 3.545 ( 0.000 -0.000 -7.505) 7.505 3.580 ( -0.000 0.000 12.580) 12.580 3.831 ( -0.000 0.000 4.969) 4.969 3.831 ( -0.000 0.000 4.969) 4.969 3.880 ( -0.000 0.000 0.725) 0.725 4.410 ( 0.000 -0.000 -6.445) 6.445 4.410 ( 0.000 -0.000 -6.445) 6.445 4.506 ( 0.000 -0.000 -2.065) 2.065 5.358 ( 0.000 -0.000 -1.667) 1.667 5.524 ( 0.000 -0.000 -9.639) 9.639 5.524 ( 0.000 -0.000 -9.639) 9.639 7.090 ( -0.000 0.000 0.451) 0.451 7.873 ( 0.000 -0.000 -4.595) 4.595 7.873 ( 0.000 -0.000 -4.595) 4.595 8.019 ( 0.000 -0.000 -6.559) 6.559 8.195 ( 0.000 0.000 -0.706) 0.706 8.195 ( 0.000 -0.000 -0.706) 0.706 8.458 ( -0.000 0.000 0.784) 0.784 8.458 ( -0.000 0.000 0.784) 0.784 8.860 ( 0.000 -0.000 -3.139) 3.139 9.009 ( 0.000 0.000 -0.107) 0.107 9.009 ( -0.000 -0.000 -0.107) 0.107 9.675 ( 0.000 -0.000 -10.687) 10.687 9.675 ( 0.000 -0.000 -10.687) 10.687 10.298 ( 0.000 -0.000 -6.397) 6.397 10.317 ( -0.000 0.000 5.481) 5.481 10.317 ( -0.000 0.000 5.481) 5.481 10.811 ( 0.000 -0.000 -8.197) 8.197 10.856 ( 0.000 -0.000 -5.946) 5.946 10.856 ( 0.000 -0.000 -5.946) 5.946 11.081 ( -0.000 0.000 4.350) 4.350 11.575 ( 0.000 0.000 -1.136) 1.136 11.575 ( 0.000 -0.000 -1.136) 1.136 11.963 ( -0.000 0.000 4.963) 4.963 12.138 ( -0.000 0.000 9.625) 9.625 12.591 ( -0.000 0.000 8.808) 8.808 12.591 ( -0.000 0.000 8.808) 8.808 12.741 ( -0.000 0.000 0.684) 0.684 13.641 ( -0.000 0.000 9.323) 9.323 13.868 ( 0.000 -0.000 -4.503) 4.503 13.868 ( 0.000 -0.000 -4.503) 4.503 14.148 ( 0.000 0.000 1.867) 1.867 14.148 ( -0.000 -0.000 1.867) 1.867 14.851 ( -0.000 0.000 1.780) 1.780 14.851 ( -0.000 0.000 1.780) 1.780 16.002 ( -0.000 0.000 0.738) 0.738 17.309 ( 0.000 0.000 0.565) 0.565 17.309 ( -0.000 -0.000 0.565) 0.565 17.327 ( 0.000 -0.000 -13.953) 13.953 17.629 ( -0.000 0.000 5.126) 5.126 17.629 ( -0.000 0.000 5.126) 5.126 19.111 ( 0.000 -0.000 -0.978) 0.978 19.301 ( -0.000 0.000 5.851) 5.851 ======================= Grid point 153 (69/90) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 2.538 3.207 17.492) 17.964 2.105 ( 5.867 1.417 16.138) 17.229 2.765 ( -13.656 -9.008 -3.972) 16.835 2.964 ( -3.068 3.300 -12.531) 13.316 3.094 ( -2.312 -11.227 -0.118) 11.464 3.263 ( -4.237 -3.521 3.244) 6.393 3.436 ( -0.516 9.048 -1.758) 9.231 3.540 ( 0.669 -1.526 -2.525) 3.026 3.701 ( -4.306 -2.684 4.500) 6.782 3.771 ( -3.183 1.193 6.202) 7.072 4.012 ( 1.335 10.478 4.398) 11.442 4.035 ( 12.541 -4.465 12.533) 18.283 4.262 ( -2.403 -3.109 -2.785) 4.816 4.381 ( 2.102 -0.339 -5.398) 5.803 4.597 ( 5.991 6.113 0.933) 8.610 5.219 ( -10.138 -7.839 -0.848) 12.844 5.354 ( -2.065 -1.032 -7.753) 8.089 5.538 ( 5.526 4.264 -7.913) 10.551 7.079 ( -1.067 -0.416 -0.746) 1.367 7.736 ( -5.341 0.751 -4.858) 7.260 7.874 ( 6.410 -5.201 -6.054) 10.237 7.943 ( -1.831 2.662 -4.557) 5.586 8.117 ( -2.711 -0.256 -2.317) 3.576 8.275 ( 4.957 3.139 -1.110) 5.972 8.457 ( 0.737 -0.445 0.602) 1.051 8.525 ( 4.061 2.422 1.244) 4.889 8.797 ( -3.492 -1.869 0.860) 4.053 9.022 ( 5.659 1.596 -2.660) 6.454 9.096 ( 4.904 4.977 -0.250) 6.992 9.462 ( -6.157 -1.420 -8.165) 10.324 9.675 ( 6.886 1.736 -6.883) 9.889 10.249 ( 0.428 0.413 -2.667) 2.733 10.332 ( 0.992 -3.286 1.058) 3.592 10.432 ( 2.671 4.837 2.212) 5.952 10.668 ( -5.295 -0.179 -6.311) 8.240 10.686 ( -5.780 -3.518 -2.768) 7.310 10.912 ( 8.751 3.179 -6.556) 11.387 11.136 ( 1.379 0.896 0.739) 1.803 11.486 ( -3.020 -3.863 -2.794) 5.643 11.602 ( 1.806 2.404 -1.852) 3.532 11.984 ( -1.544 -1.721 0.115) 2.315 12.165 ( -7.842 -5.077 11.145) 14.542 12.619 ( -6.997 -1.486 3.753) 8.078 12.731 ( 5.472 -1.325 8.522) 10.214 12.862 ( 7.470 8.269 5.485) 12.420 13.666 ( -10.947 -3.869 9.043) 14.717 13.742 ( -1.293 -2.605 -7.655) 8.189 13.856 ( 3.849 2.498 -7.671) 8.939 14.130 ( -2.631 -4.545 7.052) 8.792 14.287 ( 4.028 4.125 4.538) 7.337 14.887 ( 4.235 -0.059 3.025) 5.204 14.896 ( -0.251 2.061 2.484) 3.238 16.014 ( 1.582 1.025 -0.976) 2.123 17.058 ( -8.656 -5.360 -4.753) 11.236 17.300 ( -5.610 3.538 -5.422) 8.567 17.383 ( 6.177 -6.036 2.205) 8.913 17.587 ( -3.060 2.563 1.896) 4.419 17.830 ( 9.085 4.045 4.414) 10.881 19.063 ( -3.598 -1.962 -1.671) 4.426 19.391 ( 2.052 1.172 5.725) 6.193 ======================= Grid point 154 (70/90) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -2.108 -0.517 9.166) 9.420 2.321 ( -0.351 0.455 7.867) 7.888 2.489 ( -4.833 -6.847 2.073) 8.633 2.714 ( -9.168 -5.433 -11.076) 15.371 2.989 ( 0.076 -4.555 -1.169) 4.704 3.155 ( -5.434 -6.010 -0.079) 8.103 3.463 ( -5.041 3.920 -2.308) 6.790 3.516 ( -1.304 5.325 -4.219) 6.918 3.618 ( -2.918 2.093 -2.083) 4.152 3.817 ( 1.277 -3.305 5.801) 6.797 4.081 ( 0.351 -9.712 -7.056) 12.010 4.191 ( 0.678 13.512 6.392) 14.963 4.328 ( -6.127 -2.804 0.654) 6.770 4.460 ( 16.458 -1.036 13.248) 21.153 4.663 ( -1.892 5.685 -1.956) 6.303 5.029 ( -6.866 -11.331 3.171) 13.623 5.329 ( 5.397 5.413 -3.536) 8.422 5.514 ( 1.033 2.186 -7.850) 8.214 7.054 ( -1.094 -0.242 0.357) 1.176 7.656 ( -1.842 3.526 -3.680) 5.419 7.837 ( 7.292 -7.473 -5.954) 12.019 7.914 ( 0.911 4.360 -5.222) 6.864 8.080 ( -1.065 1.230 0.254) 1.647 8.325 ( 0.282 3.035 -1.113) 3.245 8.476 ( 3.246 -1.145 -0.813) 3.537 8.598 ( 0.664 0.606 2.258) 2.430 8.802 ( 2.294 -1.079 3.107) 4.010 9.040 ( -2.223 6.366 -7.513) 10.095 9.206 ( 9.157 4.626 -2.611) 10.586 9.381 ( 3.868 0.787 0.825) 4.033 9.730 ( 7.208 2.309 -2.535) 7.982 10.228 ( -1.778 -1.931 -0.011) 2.625 10.287 ( -0.492 -0.477 -7.863) 7.892 10.471 ( -0.650 3.293 -0.358) 3.376 10.564 ( 0.206 -2.323 -5.123) 5.629 10.647 ( -1.144 0.285 6.381) 6.489 10.994 ( 8.312 6.166 -5.128) 11.550 11.144 ( 0.735 2.205 -3.308) 4.043 11.399 ( 1.710 -5.598 -3.609) 6.876 11.601 ( -0.271 2.135 -3.916) 4.468 11.908 ( -3.777 -4.125 -1.361) 5.756 12.159 ( -7.314 -5.487 12.264) 15.297 12.541 ( -7.879 -2.310 3.337) 8.862 12.863 ( 1.662 -1.060 6.798) 7.078 13.088 ( 5.675 6.844 4.641) 10.029 13.535 ( -12.058 -1.205 1.936) 12.272 13.623 ( 2.218 -3.378 -8.848) 9.727 13.845 ( -1.360 -0.161 -0.753) 1.563 14.123 ( -3.458 -4.240 4.274) 6.943 14.389 ( 2.286 0.826 2.928) 3.806 14.927 ( -1.291 1.447 2.006) 2.790 15.031 ( 7.202 1.622 5.574) 9.250 16.055 ( 4.484 3.029 -0.484) 5.433 16.890 ( -3.791 -3.725 -5.343) 7.536 17.146 ( -9.341 -2.354 -1.824) 9.804 17.410 ( -2.558 -1.751 2.783) 4.166 17.624 ( 2.985 1.167 1.764) 3.659 18.024 ( 8.955 4.461 2.186) 10.241 18.952 ( -6.227 -3.259 -2.251) 7.380 19.487 ( 1.507 0.834 4.617) 4.928 ======================= Grid point 155 (71/90) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -18.572 -10.650 -2.009) 21.503 2.267 ( -16.345 -15.527 5.046) 23.102 2.457 ( -0.203 1.137 -8.243) 8.323 2.702 ( 7.008 2.512 9.690) 12.219 3.032 ( 4.258 3.903 1.949) 6.096 3.054 ( 0.179 -4.891 -3.106) 5.796 3.369 ( -4.408 3.158 -3.923) 6.693 3.505 ( 0.348 6.097 -3.506) 7.042 3.615 ( -3.764 2.586 4.723) 6.569 3.859 ( -11.733 -7.186 1.936) 13.895 3.868 ( 4.302 -7.432 -8.151) 11.840 4.143 ( -13.789 -8.267 6.539) 17.356 4.383 ( 0.549 9.673 6.692) 11.775 4.636 ( 2.041 3.581 -4.733) 6.276 4.771 ( 13.537 -4.224 -0.736) 14.200 4.996 ( -0.524 0.065 10.189) 10.203 5.403 ( 4.003 2.369 -4.826) 6.703 5.467 ( 4.162 4.890 -6.677) 9.264 7.077 ( 0.570 0.348 4.435) 4.485 7.621 ( -0.545 2.631 -5.122) 5.783 7.854 ( 9.556 -3.937 -3.220) 10.826 7.908 ( 3.589 4.737 -5.974) 8.427 8.112 ( 0.647 1.793 2.908) 3.477 8.321 ( -1.787 1.943 -0.039) 2.641 8.488 ( 0.040 -0.371 -1.107) 1.168 8.607 ( -1.848 -3.038 3.692) 5.126 8.867 ( 4.287 -1.209 0.126) 4.456 8.931 ( -5.981 6.343 -6.518) 10.885 9.372 ( 14.745 4.251 -2.139) 15.494 9.536 ( 8.881 4.186 3.406) 10.392 9.847 ( 6.951 4.357 2.066) 8.460 10.111 ( -4.980 1.132 -9.197) 10.520 10.220 ( 0.036 -0.334 -2.719) 2.740 10.483 ( 0.233 -3.767 -5.094) 6.340 10.544 ( 3.161 1.704 6.604) 7.517 10.724 ( -0.370 2.098 4.642) 5.108 11.097 ( 4.681 7.715 -2.987) 9.505 11.130 ( 2.125 2.512 -4.692) 5.731 11.383 ( 8.702 -3.641 -4.341) 10.384 11.527 ( -2.762 -0.518 -6.365) 6.958 11.822 ( -2.044 -2.480 -1.482) 3.539 12.157 ( -7.568 -6.275 12.284) 15.733 12.450 ( -8.138 -3.043 2.718) 9.104 12.903 ( -3.728 -2.454 4.644) 6.441 13.121 ( -9.501 -3.722 2.159) 10.430 13.472 ( 1.140 3.597 -0.579) 3.817 13.570 ( 7.472 -1.717 -8.277) 11.282 13.765 ( -9.393 -0.401 1.095) 9.465 14.104 ( -0.067 -1.477 1.707) 2.258 14.448 ( 2.174 0.066 1.997) 2.953 14.918 ( -2.589 -0.305 -0.486) 2.652 15.177 ( 2.603 -0.257 5.780) 6.345 16.193 ( 9.362 5.946 2.602) 11.391 16.721 ( -2.150 -4.025 -13.232) 13.996 17.038 ( -7.165 -2.665 7.001) 10.367 17.361 ( -7.706 4.007 0.194) 8.688 17.709 ( 4.910 -5.957 6.036) 9.799 18.180 ( 6.831 5.592 -0.651) 8.852 18.808 ( -6.858 -3.424 -2.128) 7.955 19.538 ( -0.970 -0.498 3.088) 3.275 ======================= Grid point 156 (72/90) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -18.546 -11.099 3.803) 21.946 1.948 ( -20.643 -16.373 8.134) 27.574 2.396 ( 1.915 -2.279 -2.982) 4.213 2.891 ( 4.056 1.330 5.336) 6.833 2.974 ( -2.043 0.749 -3.326) 3.975 3.126 ( 2.264 4.582 -7.126) 8.770 3.338 ( 2.096 -2.294 0.620) 3.169 3.496 ( -16.212 -0.458 6.047) 17.309 3.609 ( -1.468 0.497 -0.516) 1.634 3.636 ( -9.326 -5.193 8.536) 13.668 3.801 ( 4.044 0.893 -3.531) 5.443 4.112 ( 1.898 -4.489 5.300) 7.201 4.505 ( 3.028 3.709 -0.279) 4.796 4.598 ( -4.695 2.457 -0.527) 5.325 4.801 ( 6.004 -5.251 -7.250) 10.779 5.151 ( 2.180 6.727 3.714) 7.988 5.430 ( 9.060 0.406 -4.294) 10.034 5.528 ( 6.694 6.968 -4.384) 10.610 7.153 ( -0.711 -0.950 6.998) 7.097 7.577 ( 2.264 3.962 -6.884) 8.259 7.879 ( 6.448 -1.997 -6.780) 9.567 7.995 ( 6.703 4.156 0.472) 7.901 8.171 ( 0.826 1.215 2.945) 3.291 8.323 ( -0.676 0.411 1.850) 2.012 8.432 ( -5.319 0.668 -1.591) 5.592 8.614 ( 0.036 -6.025 5.414) 8.100 8.833 ( -6.352 7.792 -3.025) 10.499 8.919 ( 6.409 -2.732 -2.762) 7.494 9.560 ( 9.453 1.662 -1.205) 9.674 9.745 ( 14.031 4.743 2.112) 14.961 9.954 ( -4.598 3.050 -7.992) 9.712 10.011 ( 4.210 4.360 4.086) 7.309 10.203 ( 3.013 0.759 -3.006) 4.323 10.400 ( 0.922 1.867 -7.911) 8.181 10.726 ( 4.661 1.657 11.859) 12.850 10.750 ( -3.986 2.886 0.828) 4.990 11.117 ( 3.839 -4.316 -1.951) 6.097 11.163 ( 2.502 6.513 -4.041) 8.063 11.374 ( -5.294 -4.878 -7.253) 10.219 11.470 ( 10.856 1.033 -3.285) 11.389 11.794 ( 2.032 2.260 -3.162) 4.386 12.146 ( -6.975 -6.158 11.507) 14.798 12.330 ( -8.949 -4.132 1.127) 9.921 12.834 ( -8.799 -4.222 2.603) 10.101 12.949 ( -11.612 -5.637 3.493) 13.372 13.447 ( -4.019 -4.850 -3.361) 7.140 13.603 ( 8.362 3.729 -4.271) 10.103 13.724 ( 2.140 2.817 -0.028) 3.538 14.131 ( -0.049 1.248 2.331) 2.645 14.503 ( 1.683 2.067 2.112) 3.401 14.831 ( -4.067 -3.440 -4.519) 6.986 15.220 ( -3.492 -2.271 4.874) 6.411 16.393 ( 3.038 1.860 -3.242) 4.816 16.531 ( 6.596 0.873 -6.699) 9.441 17.052 ( -2.414 -1.390 7.522) 8.021 17.292 ( -6.560 5.557 -1.077) 8.664 17.778 ( 1.770 -9.638 7.746) 12.491 18.260 ( 1.377 4.267 -3.174) 5.493 18.707 ( -2.333 -0.066 0.265) 2.349 19.520 ( -4.269 -2.166 1.682) 5.074 ======================= Grid point 161 (73/90) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 0.243 3.251 13.641) 14.025 2.267 ( -0.022 3.718 11.757) 12.331 2.731 ( -5.627 -5.916 -11.113) 13.790 2.813 ( 7.049 -0.831 -9.038) 11.492 3.097 ( -8.841 -5.093 -2.099) 10.417 3.245 ( 1.792 -7.094 -3.259) 8.010 3.410 ( 6.154 -4.506 2.020) 7.890 3.519 ( 0.897 4.397 -4.079) 6.064 3.679 ( -0.227 -10.560 -1.862) 10.725 3.910 ( -7.038 -6.658 5.875) 11.330 3.982 ( 10.772 0.107 12.759) 16.699 4.210 ( -6.330 7.862 3.184) 10.584 4.220 ( -1.423 4.532 -2.924) 5.579 4.342 ( 1.355 7.679 -3.884) 8.712 4.667 ( 1.674 4.466 11.061) 12.045 5.187 ( -0.748 -7.868 -2.933) 8.430 5.359 ( -6.443 -1.493 -3.440) 7.455 5.406 ( 6.482 5.751 -6.807) 11.020 7.070 ( 0.117 -2.002 -0.061) 2.007 7.652 ( 2.984 -6.725 -6.087) 9.549 7.780 ( -5.300 0.246 -5.740) 7.816 7.907 ( 1.485 6.001 -7.871) 10.008 8.106 ( 1.015 -2.457 0.615) 2.729 8.266 ( 0.024 6.360 -0.869) 6.419 8.478 ( -2.830 0.367 0.683) 2.934 8.518 ( 2.495 1.240 2.054) 3.461 8.828 ( -1.938 3.365 -1.389) 4.124 8.967 ( 2.553 -0.312 -0.378) 2.600 9.096 ( -0.112 4.531 -0.715) 4.589 9.421 ( 1.518 -1.790 -2.506) 3.434 9.585 ( -1.908 4.863 -4.975) 7.214 10.209 ( 0.190 2.661 -3.102) 4.092 10.348 ( -3.013 -2.554 -0.715) 4.014 10.392 ( 3.063 -0.614 -6.291) 7.024 10.612 ( 0.216 -1.605 -0.555) 1.712 10.722 ( -0.112 0.731 -1.927) 2.064 10.800 ( 0.399 1.791 -1.865) 2.617 11.133 ( 0.323 1.456 -2.584) 2.984 11.455 ( -3.677 -2.960 -5.301) 7.098 11.554 ( 2.693 1.869 -3.009) 4.449 11.980 ( -0.671 -2.842 -1.171) 3.146 12.306 ( -0.533 -5.718 10.378) 11.861 12.672 ( 1.676 -5.974 3.903) 7.330 12.806 ( -3.564 0.737 7.473) 8.312 12.934 ( 3.399 10.210 6.888) 12.777 13.619 ( 0.110 -3.981 -9.507) 10.308 13.732 ( 0.435 3.914 -10.243) 10.974 13.843 ( 0.231 -9.954 13.195) 16.530 14.225 ( -3.571 -2.493 6.797) 8.072 14.336 ( 2.465 3.448 4.716) 6.341 14.865 ( -0.604 -2.870 2.757) 4.025 14.983 ( 0.344 7.710 3.384) 8.427 15.990 ( 0.065 3.220 -3.515) 4.767 16.981 ( -0.790 -7.942 -7.559) 10.993 17.253 ( 3.507 -6.693 2.564) 7.979 17.461 ( -7.188 6.203 2.032) 9.709 17.570 ( 5.525 -5.978 1.062) 8.209 17.886 ( -1.058 12.086 2.185) 12.328 19.040 ( 0.111 -4.367 -1.932) 4.777 19.459 ( -0.011 1.976 5.564) 5.904 ======================= Grid point 162 (74/90) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -0.383 -4.435 -0.424) 4.472 2.434 ( -0.400 3.216 8.397) 9.001 2.523 ( -4.073 1.038 -1.330) 4.409 2.690 ( -7.263 -1.001 -9.105) 11.690 2.946 ( -3.890 -5.751 0.603) 6.969 3.156 ( -0.235 -5.569 -1.850) 5.873 3.443 ( 1.649 -6.564 -1.764) 6.994 3.516 ( -2.353 1.454 -3.706) 4.625 3.586 ( 6.138 -3.808 -2.994) 7.820 3.834 ( -3.933 -9.282 4.019) 10.852 4.048 ( -7.058 -0.331 -0.711) 7.102 4.288 ( 13.209 -0.171 5.021) 14.132 4.347 ( -2.938 10.461 -0.193) 10.867 4.422 ( 5.365 8.143 5.135) 11.021 4.776 ( -6.953 0.827 6.001) 9.222 5.114 ( -3.936 -3.588 2.505) 5.885 5.240 ( 1.712 0.021 -3.978) 4.330 5.439 ( 1.645 2.764 -5.475) 6.349 7.066 ( 0.194 -2.032 2.589) 3.296 7.604 ( 7.079 -5.641 -4.881) 10.284 7.667 ( -2.960 1.849 -5.124) 6.200 7.866 ( 0.425 6.202 -8.668) 10.667 8.123 ( -0.644 0.854 3.094) 3.273 8.332 ( 2.390 5.395 -0.214) 5.905 8.446 ( -0.947 -1.623 0.536) 1.954 8.597 ( 3.479 1.284 1.196) 3.896 8.802 ( -1.214 0.121 -0.016) 1.220 9.029 ( 2.983 5.039 -3.608) 6.878 9.124 ( 2.201 6.382 -3.469) 7.591 9.412 ( -1.541 1.415 4.438) 4.907 9.635 ( 7.417 2.884 1.482) 8.095 10.205 ( 0.284 0.883 -5.527) 5.604 10.238 ( -3.828 -1.668 -4.488) 6.130 10.349 ( 6.643 -0.219 -9.391) 11.505 10.585 ( -3.361 1.905 0.735) 3.933 10.717 ( -0.819 -1.626 5.151) 5.464 10.904 ( 7.829 3.958 2.025) 9.004 11.123 ( 1.188 4.053 -3.768) 5.660 11.301 ( -3.011 -4.023 -7.045) 8.654 11.553 ( 0.899 2.346 -5.965) 6.472 11.908 ( -3.089 -5.545 -0.246) 6.352 12.335 ( -4.993 -5.850 10.122) 12.713 12.632 ( -4.759 -4.492 2.028) 6.851 12.901 ( 2.186 -1.316 7.247) 7.683 13.141 ( 4.730 8.204 5.365) 10.884 13.476 ( -0.016 -3.804 -8.933) 9.710 13.614 ( -5.539 1.966 -8.448) 10.292 13.901 ( -1.022 -7.817 10.148) 12.850 14.196 ( -6.001 -4.430 3.520) 8.248 14.407 ( 0.536 0.586 1.609) 1.794 14.902 ( 3.434 -3.866 2.769) 5.866 15.102 ( 1.097 9.179 4.437) 10.254 16.009 ( 3.920 6.186 -2.758) 7.826 16.806 ( -3.156 -8.541 -7.029) 11.503 17.227 ( -4.685 -6.256 1.852) 8.032 17.470 ( 0.313 -1.899 8.524) 8.738 17.612 ( 1.332 2.240 -2.141) 3.372 18.008 ( 3.576 10.946 -0.018) 11.515 18.958 ( -3.158 -5.702 -1.854) 6.776 19.535 ( 0.548 1.333 4.286) 4.521 ======================= Grid point 163 (75/90) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -13.769 -5.927 -0.617) 15.003 2.396 ( -2.814 -1.631 -6.514) 7.280 2.466 ( -16.339 -8.743 6.289) 19.569 2.647 ( 8.982 2.079 0.130) 9.221 2.924 ( 4.302 -1.570 -1.798) 4.920 3.149 ( -2.163 6.304 3.635) 7.591 3.316 ( -0.026 -10.605 -5.995) 12.182 3.490 ( 1.386 6.467 -5.121) 8.364 3.650 ( 7.373 -2.881 -2.658) 8.350 3.748 ( -6.369 -3.956 4.560) 8.776 3.985 ( -3.413 -3.432 4.382) 6.529 4.319 ( -5.849 -0.367 -0.485) 5.881 4.455 ( 4.430 -2.725 2.492) 5.767 4.605 ( -2.008 4.830 7.879) 9.458 4.698 ( -3.623 4.513 -1.984) 6.117 5.096 ( -1.020 -1.883 4.701) 5.166 5.287 ( 8.195 1.248 -4.163) 9.276 5.382 ( -0.421 2.333 -6.839) 7.238 7.122 ( 1.763 -0.924 6.907) 7.188 7.573 ( 0.286 -0.303 -7.050) 7.062 7.660 ( 7.509 -0.265 -2.811) 8.022 7.852 ( 2.887 8.130 -5.549) 10.258 8.166 ( -0.625 1.397 3.854) 4.146 8.367 ( -1.347 3.941 -0.738) 4.230 8.460 ( 2.381 -1.242 1.138) 2.916 8.646 ( 0.586 0.613 1.003) 1.314 8.775 ( 0.517 -4.262 -1.563) 4.569 9.030 ( -4.709 8.657 -2.423) 10.148 9.197 ( 10.436 4.813 -3.404) 11.986 9.531 ( 4.787 2.743 6.666) 8.653 9.828 ( 8.196 5.036 6.610) 11.672 10.064 ( -2.631 2.484 -10.620) 11.220 10.167 ( 0.068 -2.096 -5.581) 5.962 10.338 ( 4.702 0.553 -7.884) 9.196 10.623 ( 0.796 0.543 7.659) 7.720 10.771 ( 1.077 -0.954 5.050) 5.251 11.075 ( 5.839 5.303 2.638) 8.318 11.108 ( -2.482 2.168 -4.951) 5.947 11.218 ( 5.878 2.949 -4.480) 7.957 11.465 ( -2.033 0.653 -9.467) 9.704 11.822 ( -3.191 -6.002 0.618) 6.825 12.326 ( -5.848 -6.608 9.188) 12.739 12.540 ( -6.391 -4.694 0.847) 7.975 12.965 ( -1.161 -3.548 5.014) 6.251 13.252 ( -5.013 1.092 2.946) 5.917 13.385 ( 4.190 -2.676 -5.271) 7.246 13.466 ( -2.295 2.394 -5.963) 6.823 13.889 ( -7.126 -6.157 3.314) 9.983 14.129 ( -1.568 -0.612 2.008) 2.620 14.438 ( 1.654 1.048 0.485) 2.017 14.910 ( -0.243 -5.053 0.188) 5.062 15.233 ( 1.290 5.156 4.195) 6.771 16.143 ( 8.863 7.770 1.609) 11.896 16.596 ( -4.925 -7.367 -9.173) 12.755 17.140 ( -4.226 -5.834 3.120) 7.850 17.533 ( -9.414 7.334 2.032) 12.106 17.636 ( 7.831 -7.431 4.846) 11.833 18.140 ( 5.585 9.032 -1.660) 10.748 18.837 ( -5.080 -5.478 -1.256) 7.576 19.581 ( -0.609 -0.089 2.537) 2.611 ======================= Grid point 164 (76/90) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -17.501 -3.296 8.516) 19.740 2.231 ( -19.140 -8.857 9.171) 22.997 2.312 ( 1.596 -7.121 -0.430) 7.310 2.725 ( 8.654 -1.163 -8.279) 12.032 2.956 ( 5.820 0.316 -3.386) 6.741 3.123 ( -5.580 -4.211 -4.026) 8.067 3.304 ( 4.856 4.224 3.075) 7.134 3.526 ( 4.279 10.412 -6.840) 13.172 3.604 ( -1.654 -0.988 -1.066) 2.202 3.788 ( -2.110 2.524 4.300) 5.414 3.975 ( -5.066 -4.799 8.850) 11.270 4.190 ( -11.731 -8.949 8.352) 16.954 4.421 ( -2.385 -6.619 0.144) 7.037 4.636 ( 4.095 1.996 -4.540) 6.432 4.736 ( -3.678 7.341 -0.272) 8.215 5.121 ( 5.415 -5.774 -1.567) 8.069 5.308 ( 2.475 3.272 -4.874) 6.371 5.434 ( 9.135 6.066 -0.923) 11.004 7.229 ( 0.471 -2.060 8.131) 8.401 7.491 ( 1.481 4.010 -9.148) 10.097 7.726 ( 6.002 1.222 -3.019) 6.828 7.943 ( 6.202 7.162 -1.110) 9.539 8.205 ( -0.424 -0.762 3.073) 3.194 8.376 ( -0.982 4.034 0.886) 4.245 8.472 ( -1.360 -0.089 -0.909) 1.638 8.638 ( -2.835 -2.803 2.503) 4.707 8.743 ( 5.176 -4.891 -3.875) 8.107 9.017 ( -7.263 10.829 2.638) 13.304 9.388 ( 15.506 2.673 -1.129) 15.775 9.669 ( 4.211 0.803 2.409) 4.917 9.953 ( -0.039 5.059 -4.347) 6.670 10.048 ( 2.488 3.157 2.547) 4.758 10.082 ( 3.293 -1.308 -7.711) 8.486 10.332 ( 3.698 6.399 -3.805) 8.313 10.748 ( 4.519 -4.467 4.579) 7.832 10.823 ( -1.241 1.272 2.991) 3.479 11.004 ( 0.432 0.197 -4.161) 4.188 11.216 ( 0.107 4.500 5.170) 6.855 11.305 ( 1.027 -0.922 -7.999) 8.117 11.352 ( 5.108 6.529 -1.943) 8.514 11.755 ( -0.791 -2.732 -1.415) 3.177 12.289 ( -5.656 -7.620 7.463) 12.073 12.408 ( -7.404 -5.493 -0.251) 9.222 12.924 ( -6.148 -5.792 2.744) 8.881 13.124 ( -11.717 0.190 0.767) 11.744 13.386 ( 3.157 -4.008 -1.568) 5.337 13.493 ( 5.959 1.422 0.112) 6.127 13.759 ( -5.170 -0.809 -1.481) 5.438 14.177 ( 0.427 2.807 2.938) 4.085 14.475 ( 3.571 1.222 -2.140) 4.339 14.829 ( -4.654 -4.846 -0.922) 6.782 15.290 ( -1.691 -0.691 2.979) 3.495 16.347 ( -2.606 -4.945 -2.084) 5.966 16.398 ( 8.772 7.065 -2.963) 11.647 17.104 ( -0.461 -5.177 3.159) 6.083 17.430 ( -9.250 6.934 -5.110) 12.640 17.756 ( 3.934 -7.140 9.654) 12.635 18.232 ( 2.974 3.970 -2.918) 5.756 18.741 ( -2.542 -1.567 0.267) 2.998 19.572 ( -2.897 -1.627 1.024) 3.477 ======================= Grid point 169 (77/90) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 1.062 -4.187 0.296) 4.329 2.447 ( -2.216 4.812 11.969) 13.089 2.544 ( 7.931 -1.119 -12.670) 14.989 2.726 ( 1.128 5.401 2.328) 5.989 3.043 ( 6.033 -2.038 -7.152) 9.576 3.180 ( -1.377 -5.406 1.005) 5.668 3.311 ( -1.249 -7.504 -2.657) 8.058 3.373 ( 3.673 -13.513 -4.392) 14.676 3.607 ( 0.159 -3.153 -0.173) 3.161 4.005 ( 3.808 1.625 5.725) 7.065 4.038 ( -6.092 -3.983 7.092) 10.162 4.196 ( 6.932 4.412 -4.101) 9.184 4.301 ( -7.939 2.834 -0.822) 8.469 4.494 ( -4.607 7.367 2.981) 9.186 4.750 ( 6.043 2.494 7.759) 10.146 5.180 ( -6.855 -0.915 -0.090) 6.917 5.259 ( 10.649 0.922 0.149) 10.690 5.382 ( -3.909 0.196 -7.269) 8.256 7.065 ( -0.177 -2.069 3.007) 3.655 7.546 ( -2.339 -4.193 -3.684) 6.052 7.764 ( -3.755 -0.952 -7.782) 8.693 7.851 ( 0.197 9.109 -8.430) 12.413 8.106 ( 1.171 0.542 3.956) 4.161 8.304 ( -0.453 2.099 -0.202) 2.157 8.514 ( 2.010 3.290 0.801) 3.937 8.551 ( -5.888 -1.310 0.539) 6.056 8.869 ( -1.812 -0.736 -4.192) 4.626 8.917 ( 3.583 4.252 1.221) 5.693 9.143 ( -4.579 5.321 -1.781) 7.242 9.425 ( 0.172 3.869 5.126) 6.424 9.646 ( -6.857 2.760 -1.202) 7.489 10.194 ( 4.067 -2.554 -11.327) 12.303 10.214 ( -1.053 0.513 -2.024) 2.338 10.366 ( -5.166 -0.366 -5.362) 7.455 10.623 ( 2.208 4.373 2.272) 5.400 10.720 ( 2.035 -1.561 5.252) 5.845 10.845 ( -6.917 0.457 -0.817) 6.980 11.093 ( 0.328 1.229 -3.985) 4.183 11.418 ( -2.178 1.542 -7.240) 7.716 11.494 ( 1.151 1.247 -5.234) 5.502 11.928 ( 2.296 -4.135 -0.970) 4.828 12.356 ( 4.015 -4.344 10.215) 11.804 12.616 ( 5.443 -5.656 3.245) 8.494 12.943 ( -2.527 -1.100 6.860) 7.393 13.070 ( -3.247 6.227 5.311) 8.805 13.480 ( 0.749 -4.683 -7.336) 8.735 13.606 ( 4.560 2.181 -8.124) 9.568 13.885 ( 1.690 -7.351 7.860) 10.894 14.253 ( 7.566 -2.538 4.541) 9.182 14.390 ( -3.426 -0.374 1.547) 3.778 14.904 ( -2.537 -3.865 2.880) 5.447 15.104 ( -2.057 10.123 3.833) 11.018 16.007 ( -3.700 5.739 -2.501) 7.272 16.827 ( 2.232 -7.123 -7.711) 10.732 17.187 ( 4.636 -6.482 5.112) 9.468 17.436 ( 5.064 -8.874 -0.384) 10.224 17.653 ( -6.329 8.519 4.857) 11.671 18.018 ( -2.961 10.513 -0.805) 10.951 18.953 ( 3.382 -6.101 -1.837) 7.213 19.535 ( -0.534 1.300 4.226) 4.453 ======================= Grid point 170 (78/90) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 0.008 -2.477 -0.563) 2.540 2.471 ( 2.416 -0.121 -9.993) 10.281 2.574 ( -3.620 3.045 5.840) 7.516 2.700 ( -3.500 3.708 -5.509) 7.507 3.047 ( -9.831 -0.375 2.026) 10.045 3.065 ( 4.724 -2.849 1.415) 5.695 3.242 ( 4.952 -17.677 -5.563) 19.182 3.364 ( 11.723 -7.355 -0.529) 13.850 3.569 ( -3.075 -1.056 0.960) 3.391 3.923 ( -6.895 -5.520 6.815) 11.156 4.063 ( -5.644 -4.340 -6.649) 9.741 4.236 ( 7.662 4.565 4.783) 10.120 4.428 ( 3.602 9.012 3.183) 10.213 4.536 ( -2.611 11.723 1.636) 12.121 4.892 ( 1.772 -2.697 3.353) 4.654 5.080 ( -0.859 -0.669 -1.175) 1.602 5.244 ( -5.184 -4.487 -2.437) 7.276 5.377 ( 3.848 3.241 -3.349) 6.044 7.099 ( -0.295 -1.775 6.800) 7.034 7.475 ( 1.191 -2.849 -1.918) 3.635 7.639 ( -1.648 1.333 -7.223) 7.527 7.822 ( 0.068 8.940 -7.726) 11.816 8.183 ( -0.124 2.052 4.949) 5.358 8.330 ( 2.407 1.968 -0.598) 3.167 8.469 ( -3.474 -2.997 0.850) 4.666 8.582 ( 1.913 3.964 0.260) 4.409 8.817 ( 0.846 1.062 -2.584) 2.919 8.989 ( -1.450 4.933 -2.288) 5.628 9.144 ( 1.202 8.523 -2.038) 8.845 9.524 ( -2.673 1.931 7.584) 8.270 9.641 ( 2.351 2.567 7.444) 8.218 10.079 ( 2.588 -1.811 -13.222) 13.594 10.201 ( 1.002 0.794 -5.739) 5.879 10.229 ( -3.224 0.954 -3.987) 5.215 10.660 ( -2.490 4.903 0.918) 5.575 10.802 ( -2.910 -0.436 6.775) 7.386 10.865 ( 7.239 -0.337 5.348) 9.007 11.094 ( 2.024 5.453 -2.387) 6.287 11.251 ( -5.074 -0.976 -8.537) 9.979 11.480 ( 1.340 3.540 -8.144) 8.981 11.889 ( -0.778 -6.900 0.455) 6.959 12.430 ( -1.285 -5.946 7.377) 9.562 12.637 ( 0.484 -6.142 0.724) 6.204 12.969 ( -1.942 -3.353 7.389) 8.344 13.196 ( 3.795 6.373 4.218) 8.532 13.360 ( -0.831 -3.596 -7.083) 7.987 13.569 ( 0.263 5.057 -9.267) 10.560 13.926 ( 1.496 -11.990 8.476) 14.760 14.285 ( -7.641 -4.852 0.615) 9.072 14.385 ( 5.679 -1.198 1.204) 5.927 14.886 ( -0.786 -3.822 2.739) 4.767 15.209 ( 0.192 9.711 2.653) 10.069 16.014 ( 0.104 10.138 -1.515) 10.251 16.686 ( -0.768 -10.704 -5.945) 12.268 17.246 ( -1.114 -6.688 5.664) 8.835 17.419 ( 6.388 -8.109 -0.499) 10.335 17.706 ( -4.244 8.535 5.010) 10.768 18.064 ( -0.224 11.554 -3.300) 12.018 18.907 ( 0.290 -7.270 -1.252) 7.383 19.582 ( 0.058 0.555 2.914) 2.967 ======================= Grid point 172 (79/90) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -2.832 -4.228 -5.799) 7.715 2.381 ( -5.582 -1.419 1.980) 6.091 2.531 ( 2.620 0.322 -6.564) 7.074 2.689 ( -8.788 -3.463 7.458) 12.035 2.922 ( -6.782 0.427 -0.013) 6.796 3.071 ( 6.889 -13.229 -7.023) 16.486 3.221 ( 3.797 5.314 1.090) 6.621 3.426 ( 4.404 0.007 -2.441) 5.035 3.585 ( 2.719 -0.152 4.328) 5.114 3.884 ( -6.542 -2.483 0.491) 7.015 3.938 ( 1.332 -9.426 5.697) 11.094 4.393 ( 6.790 4.777 -1.514) 8.439 4.419 ( -9.247 5.979 -0.748) 11.037 4.723 ( 6.584 11.032 0.895) 12.878 4.788 ( -6.229 -9.913 -0.588) 11.723 5.094 ( -3.613 -6.769 -0.177) 7.675 5.182 ( 4.822 1.365 2.765) 5.723 5.349 ( -1.701 4.175 -6.090) 7.577 7.192 ( 0.783 -0.651 9.932) 9.984 7.462 ( 2.448 -0.390 -6.083) 6.568 7.596 ( 1.837 3.158 -1.161) 3.834 7.838 ( 1.710 10.814 -4.251) 11.744 8.229 ( -1.372 0.441 3.196) 3.506 8.365 ( 2.838 2.570 -2.950) 4.833 8.444 ( 0.253 -3.086 2.207) 3.802 8.632 ( 1.084 3.244 -0.324) 3.436 8.783 ( -4.450 -1.458 -0.873) 4.764 9.011 ( 8.278 2.991 -2.469) 9.142 9.204 ( -2.640 12.549 -0.832) 12.851 9.601 ( -0.081 0.560 8.711) 8.730 9.863 ( 5.989 3.376 8.859) 11.214 9.955 ( 2.709 1.814 -9.201) 9.762 10.073 ( -1.960 1.627 -9.932) 10.253 10.246 ( 2.505 1.229 -1.203) 3.038 10.696 ( -0.807 0.334 4.537) 4.620 10.829 ( -1.802 0.927 3.693) 4.213 11.045 ( 8.468 1.768 4.090) 9.569 11.110 ( -4.367 2.717 -4.543) 6.862 11.184 ( 4.409 9.126 0.720) 10.161 11.380 ( -1.727 1.504 -11.012) 11.247 11.819 ( -2.480 -8.053 1.427) 8.547 12.419 ( -3.536 -7.227 5.593) 9.799 12.562 ( -3.383 -6.589 -1.205) 7.504 12.996 ( -0.100 -5.945 4.901) 7.705 13.245 ( -0.216 -4.145 -4.337) 6.004 13.343 ( 4.067 3.532 3.391) 6.365 13.474 ( -5.499 5.231 -7.061) 10.366 13.908 ( -1.920 -12.282 2.219) 12.628 14.163 ( -2.366 -1.807 0.195) 2.984 14.445 ( 0.479 2.446 0.426) 2.529 14.870 ( 0.249 -6.509 1.728) 6.740 15.298 ( 0.349 5.888 0.858) 5.960 16.142 ( 5.197 11.692 2.464) 13.030 16.511 ( -3.783 -9.649 -5.113) 11.557 17.175 ( -5.399 -6.803 2.299) 8.984 17.470 ( 7.958 -5.461 -3.084) 10.132 17.779 ( -5.613 6.738 9.192) 12.704 18.112 ( 3.340 8.401 -5.117) 10.388 18.826 ( -2.179 -6.713 -0.726) 7.095 19.605 ( -0.175 -0.795 1.193) 1.445 ======================= Grid point 173 (80/90) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 2.681 -8.200 -3.030) 9.143 2.338 ( -11.632 -1.819 10.905) 16.048 2.479 ( -1.355 -4.878 -2.709) 5.742 2.582 ( -9.277 -5.013 5.725) 11.998 2.817 ( 0.205 -4.953 -7.400) 8.907 3.038 ( 3.976 -1.816 -2.565) 5.068 3.311 ( 3.920 5.190 -2.839) 7.097 3.491 ( 3.353 11.796 -2.183) 12.456 3.657 ( -2.860 3.839 1.040) 4.898 3.826 ( 6.110 -7.278 1.445) 9.612 3.999 ( -1.250 -5.620 12.139) 13.436 4.326 ( -7.182 2.937 -1.573) 7.917 4.420 ( 3.350 -0.889 -9.863) 10.454 4.596 ( -1.613 -9.918 -3.982) 10.809 4.795 ( -8.779 -5.092 3.810) 10.840 5.066 ( -0.755 5.077 3.817) 6.396 5.239 ( 5.005 -1.177 -2.773) 5.842 5.386 ( 4.612 8.716 0.793) 9.893 7.297 ( -1.152 -3.734 5.350) 6.626 7.399 ( 2.352 5.637 -6.778) 9.124 7.689 ( 2.994 4.747 2.954) 6.342 7.929 ( 3.656 9.863 -1.048) 10.571 8.233 ( -0.872 -1.941 1.186) 2.436 8.395 ( 2.717 4.851 -2.699) 6.180 8.453 ( 1.337 -3.524 1.598) 4.094 8.639 ( 0.062 -3.068 -0.694) 3.146 8.696 ( -4.229 1.120 -1.181) 4.531 9.179 ( 14.072 1.929 -0.449) 14.211 9.265 ( -5.719 13.491 4.565) 15.348 9.692 ( -0.989 0.512 4.365) 4.505 9.867 ( 6.293 1.346 -7.147) 9.617 9.959 ( -2.083 3.768 -8.256) 9.311 10.104 ( 2.033 1.117 6.210) 6.630 10.306 ( 5.220 5.208 1.812) 7.594 10.692 ( -0.449 -6.650 -0.489) 6.683 10.871 ( -0.223 6.127 0.501) 6.151 11.031 ( -4.600 3.036 -3.261) 6.404 11.194 ( 5.167 1.823 -0.743) 5.529 11.271 ( 0.981 1.378 -1.025) 1.978 11.364 ( 4.343 9.877 3.912) 11.477 11.743 ( -2.348 -5.616 1.087) 6.183 12.357 ( -4.582 -8.460 3.609) 10.275 12.428 ( -4.722 -7.369 -2.270) 9.042 12.960 ( -3.014 -8.445 1.389) 9.074 13.176 ( 0.456 -3.159 -3.668) 4.862 13.384 ( -5.053 4.577 0.281) 6.823 13.457 ( 3.986 -0.409 4.262) 5.850 13.776 ( -3.380 -4.409 -2.747) 6.198 14.199 ( 3.600 0.233 2.093) 4.171 14.436 ( -2.484 2.521 -3.620) 5.062 14.837 ( -0.996 -5.591 2.331) 6.139 15.320 ( -0.889 -0.372 -0.231) 0.991 16.329 ( -5.908 -2.167 -5.904) 8.629 16.364 ( 7.712 6.408 6.959) 12.206 17.096 ( -1.893 -5.378 1.287) 5.845 17.421 ( -0.017 -1.682 -9.239) 9.391 17.878 ( -4.157 4.197 11.225) 12.685 18.157 ( 5.191 0.825 -4.398) 6.854 18.748 ( -1.583 -3.322 -0.545) 3.720 19.590 ( -1.234 -2.189 -0.174) 2.519 ======================= Grid point 179 (81/90) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 14.623 -5.995 -1.623) 15.887 2.354 ( 2.201 -0.234 -4.984) 5.453 2.569 ( 9.923 0.159 7.898) 12.683 2.801 ( -0.316 7.565 1.882) 7.802 2.902 ( -3.833 -7.288 -5.711) 10.021 3.060 ( 4.542 -4.738 -6.227) 9.047 3.222 ( -2.610 -7.256 -0.943) 7.769 3.369 ( -9.209 -0.505 0.716) 9.250 3.638 ( -2.794 -2.097 4.810) 5.945 3.910 ( 10.467 2.400 -8.138) 13.474 4.089 ( 10.279 3.100 9.432) 14.291 4.225 ( -6.439 -1.692 2.138) 6.993 4.404 ( -10.257 -3.880 -4.164) 11.730 4.468 ( 12.590 -6.722 9.822) 17.325 4.853 ( -3.895 12.956 -1.593) 13.622 5.143 ( 8.836 -2.687 4.139) 10.121 5.279 ( -8.759 -2.014 -3.818) 9.765 5.335 ( -2.390 4.207 -6.283) 7.930 7.132 ( -1.745 -0.178 7.865) 8.058 7.514 ( -1.646 -1.987 -5.680) 6.239 7.745 ( -7.305 1.058 -6.107) 9.580 7.850 ( -2.531 9.289 -6.039) 11.365 8.164 ( 1.017 2.509 5.250) 5.907 8.312 ( -0.476 0.438 0.183) 0.672 8.497 ( 2.365 -0.678 -0.745) 2.571 8.636 ( -4.188 1.749 1.564) 4.801 8.770 ( -0.231 -7.819 -4.009) 8.790 8.963 ( 4.194 8.872 2.439) 10.112 9.282 ( -11.271 9.545 -3.091) 15.090 9.566 ( -3.228 5.220 7.742) 9.880 9.769 ( -8.483 0.070 2.326) 8.797 9.989 ( 2.810 -2.013 -10.933) 11.466 10.200 ( 0.229 0.119 -2.786) 2.798 10.367 ( -4.860 1.815 -8.262) 9.756 10.664 ( 3.391 0.982 7.388) 8.188 10.759 ( -2.060 0.049 3.183) 3.792 10.954 ( -6.881 -1.071 2.297) 7.333 11.093 ( -2.239 4.049 -0.470) 4.651 11.371 ( -2.799 2.652 -9.287) 10.056 11.422 ( 1.159 4.000 -7.281) 8.387 11.842 ( 3.755 -4.505 -0.619) 5.897 12.371 ( 6.008 -4.010 9.271) 11.752 12.518 ( 6.465 -6.219 1.314) 9.066 12.990 ( 3.313 -2.437 4.527) 6.116 13.172 ( 2.316 -2.152 1.928) 3.703 13.385 ( -4.125 -2.287 -2.331) 5.261 13.519 ( -0.150 6.602 -6.950) 9.587 13.834 ( 7.611 -9.410 4.249) 12.826 14.170 ( 5.542 0.949 1.164) 5.742 14.437 ( -3.345 -1.633 0.343) 3.738 14.910 ( 0.869 -3.212 0.385) 3.350 15.244 ( -1.784 5.523 3.417) 6.735 16.138 ( -8.853 6.949 2.148) 11.457 16.625 ( 4.704 -4.995 -10.759) 12.761 17.157 ( 4.489 -4.748 6.697) 9.356 17.312 ( 3.118 -7.728 0.823) 8.373 17.860 ( -4.103 7.394 7.469) 11.283 18.090 ( -3.142 6.240 -5.259) 8.745 18.827 ( 5.096 -6.153 -1.063) 8.060 19.579 ( 0.627 -0.255 2.508) 2.598 ======================= Grid point 180 (82/90) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 5.063 -2.787 -4.580) 7.374 2.381 ( 1.792 3.673 1.552) 4.371 2.573 ( -4.250 -7.579 -12.731) 15.413 2.735 ( 2.495 2.863 5.160) 6.407 2.877 ( 4.315 -15.492 -7.164) 17.605 3.101 ( 12.077 0.044 6.794) 13.857 3.205 ( -2.994 -1.405 0.388) 3.330 3.265 ( -9.641 3.576 4.807) 11.351 3.612 ( -3.111 -2.172 1.772) 4.188 3.950 ( 2.009 -2.974 -4.186) 5.514 4.098 ( -7.124 -2.074 -0.566) 7.441 4.257 ( -0.005 1.824 4.075) 4.464 4.397 ( 11.706 5.072 2.391) 12.980 4.665 ( 0.360 2.460 3.088) 3.964 4.822 ( -1.415 -3.173 -2.863) 4.502 5.115 ( -2.696 -3.425 -2.755) 5.156 5.209 ( -0.151 -4.997 2.045) 5.401 5.331 ( 2.326 8.892 -4.235) 10.119 7.213 ( -2.098 0.070 10.803) 11.005 7.426 ( 0.278 -0.658 -6.263) 6.304 7.625 ( -4.393 2.988 -2.367) 5.816 7.828 ( -1.370 9.614 -4.752) 10.812 8.264 ( 1.924 2.284 3.663) 4.726 8.300 ( -1.828 0.864 -0.630) 2.118 8.491 ( -1.183 -2.390 0.057) 2.668 8.620 ( -1.618 3.829 0.688) 4.213 8.734 ( 4.714 -2.834 -0.852) 5.565 9.101 ( -8.907 6.793 -1.647) 11.322 9.160 ( 2.017 9.903 -2.977) 10.535 9.666 ( -2.754 0.514 6.724) 7.284 9.760 ( 0.042 2.084 10.781) 10.980 9.904 ( 1.320 1.843 -8.912) 9.196 10.145 ( -2.028 2.176 -7.312) 7.894 10.253 ( -3.634 2.153 -2.294) 4.807 10.743 ( -2.415 2.425 0.657) 3.485 10.810 ( 7.048 0.247 5.143) 8.728 10.937 ( -4.937 -2.455 6.312) 8.382 11.124 ( -0.293 8.500 0.546) 8.523 11.226 ( -3.994 1.367 -5.382) 6.840 11.389 ( 0.787 4.401 -9.721) 10.700 11.832 ( 1.788 -7.122 0.255) 7.348 12.453 ( 1.316 -6.447 4.542) 7.995 12.544 ( 4.564 -7.303 -1.305) 8.709 13.035 ( -0.823 -5.387 4.364) 6.982 13.219 ( 3.219 -1.424 0.640) 3.578 13.296 ( -2.721 0.545 -1.157) 3.006 13.504 ( 1.377 6.626 -6.498) 9.382 13.874 ( 3.543 -11.986 3.656) 13.022 14.255 ( 3.463 -1.005 -3.796) 5.236 14.370 ( -1.875 -1.836 3.631) 4.480 14.897 ( -0.549 -4.006 1.103) 4.191 15.294 ( -0.595 5.736 0.559) 5.794 16.137 ( -4.893 10.640 2.748) 12.029 16.523 ( 2.773 -8.604 -6.405) 11.079 17.231 ( 7.645 -6.056 0.218) 9.755 17.328 ( -2.691 -5.373 6.779) 9.059 17.865 ( -4.564 4.446 0.899) 6.434 18.102 ( 0.213 9.657 -3.349) 10.224 18.821 ( 2.522 -6.809 -0.282) 7.266 19.604 ( 0.270 -0.858 1.292) 1.574 ======================= Grid point 181 (83/90) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -2.683 -11.311 -8.642) 14.485 2.382 ( 2.512 -1.538 -7.211) 7.789 2.499 ( 1.083 -4.838 2.357) 5.490 2.709 ( 4.532 -7.850 -2.785) 9.482 2.889 ( 0.991 1.275 6.452) 6.651 3.083 ( -9.403 -0.164 -1.425) 9.512 3.266 ( -4.197 4.466 2.115) 6.483 3.351 ( 9.324 3.286 6.611) 11.893 3.605 ( 1.177 -1.276 3.192) 3.634 3.816 ( -3.807 -5.005 -5.907) 8.628 4.061 ( -2.411 -3.382 5.131) 6.601 4.327 ( 2.794 2.791 -3.451) 5.245 4.569 ( -2.857 -6.722 -4.344) 8.498 4.602 ( -3.118 1.666 -5.126) 6.227 4.676 ( 7.808 -3.279 -0.907) 8.517 5.173 ( 3.844 1.573 2.225) 4.712 5.182 ( -4.749 -1.165 6.330) 7.999 5.362 ( -0.611 9.022 -3.243) 9.607 7.318 ( -1.377 -2.253 10.447) 10.775 7.359 ( 1.300 3.517 -7.963) 8.801 7.640 ( -0.167 4.803 4.768) 6.770 7.866 ( 1.221 11.147 -2.472) 11.483 8.255 ( -0.470 -0.576 -3.497) 3.575 8.325 ( 0.159 2.395 0.888) 2.560 8.454 ( -1.933 -3.869 1.992) 4.761 8.663 ( 0.896 3.685 0.689) 3.854 8.797 ( 3.323 -0.469 1.108) 3.534 8.927 ( -4.559 -0.055 -5.334) 7.017 9.319 ( 2.748 15.414 0.869) 15.681 9.699 ( 1.238 -0.991 3.641) 3.972 9.832 ( -3.930 3.279 -3.671) 6.299 9.983 ( 5.071 3.721 12.774) 14.238 10.037 ( -3.872 5.856 -8.122) 10.736 10.243 ( -0.352 0.708 1.972) 2.125 10.758 ( -2.267 -1.648 3.491) 4.477 10.871 ( -0.714 2.942 -5.247) 6.057 10.991 ( 7.232 2.752 4.290) 8.848 11.184 ( -3.662 2.287 2.997) 5.256 11.235 ( 1.556 10.301 2.489) 10.711 11.286 ( -0.680 1.196 -8.649) 8.758 11.793 ( -0.247 -7.368 1.254) 7.478 12.436 ( -0.446 -7.791 1.454) 7.938 12.490 ( 0.662 -8.347 -3.471) 9.064 12.993 ( -1.899 -7.931 1.714) 8.334 13.165 ( -0.431 -7.287 -2.752) 7.801 13.367 ( 2.818 5.137 3.571) 6.862 13.496 ( -0.591 6.391 -4.645) 7.922 13.825 ( 0.423 -12.881 0.003) 12.888 14.171 ( -2.694 -0.691 -2.448) 3.706 14.454 ( 2.961 2.662 2.035) 4.472 14.856 ( -1.647 -6.461 2.076) 6.984 15.321 ( 0.460 2.991 -2.085) 3.675 16.242 ( 0.603 11.997 4.969) 13.000 16.424 ( -0.165 -7.297 -2.895) 7.852 17.231 ( -2.590 -6.051 -1.488) 6.748 17.309 ( 1.290 -4.547 1.878) 5.086 17.910 ( 5.340 2.446 0.850) 5.934 18.113 ( -4.365 8.814 -2.454) 10.137 18.783 ( -0.104 -6.244 -0.253) 6.250 19.600 ( -0.001 -2.135 -0.194) 2.144 ======================= Grid point 182 (84/90) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 3.757 -16.385 -4.246) 17.338 2.262 ( 2.799 -14.982 -7.993) 17.210 2.472 ( 4.918 -5.743 -2.716) 8.034 2.761 ( -8.837 2.863 11.924) 15.115 2.932 ( -8.955 0.611 8.228) 12.176 2.969 ( -0.315 3.473 -5.905) 6.858 3.279 ( -0.164 5.954 -1.281) 6.092 3.519 ( 3.841 8.061 -0.467) 8.942 3.661 ( 2.245 -9.299 -1.890) 9.751 3.742 ( 3.193 3.998 5.739) 7.688 3.999 ( 4.205 -17.223 -10.494) 20.602 4.241 ( 0.787 -6.683 -2.191) 7.077 4.406 ( -6.450 0.716 -1.962) 6.780 4.482 ( -5.778 1.705 -3.192) 6.817 4.921 ( 10.841 3.584 5.375) 12.620 5.071 ( -4.876 -4.673 -1.358) 6.889 5.290 ( -4.818 7.580 6.578) 11.133 5.433 ( 2.307 9.879 0.719) 10.170 7.252 ( -0.564 -1.323 -8.269) 8.393 7.444 ( -0.233 3.761 7.320) 8.233 7.772 ( 0.900 5.763 7.810) 9.748 7.963 ( 2.685 10.595 -0.741) 10.955 8.206 ( 0.531 -1.252 -3.217) 3.493 8.352 ( 2.520 2.363 -1.859) 3.922 8.429 ( 0.269 -4.198 1.562) 4.487 8.680 ( -5.167 -1.073 2.201) 5.717 8.720 ( -2.711 0.078 -3.375) 4.330 8.997 ( 11.195 1.619 -1.114) 11.366 9.478 ( -0.037 13.927 3.503) 14.360 9.743 ( 1.778 7.112 -6.772) 9.980 9.810 ( -2.281 -0.495 8.941) 9.240 9.960 ( -3.760 6.777 -4.701) 9.064 10.156 ( 0.619 0.398 4.602) 4.660 10.319 ( 3.915 1.011 7.309) 8.353 10.674 ( -5.239 -3.632 -1.615) 6.576 10.884 ( 2.610 5.364 -8.183) 10.126 11.047 ( -4.622 3.561 -2.508) 6.351 11.172 ( 4.257 3.385 -0.858) 5.506 11.300 ( -0.804 -0.524 7.880) 7.938 11.423 ( 6.699 9.934 5.193) 13.059 11.752 ( -1.677 -3.693 2.217) 4.623 12.339 ( -0.995 -8.943 -6.133) 10.890 12.379 ( -2.818 -9.199 0.086) 9.621 12.913 ( -1.089 -9.559 -0.769) 9.651 13.074 ( 1.459 -8.108 -3.253) 8.858 13.470 ( 1.360 -4.247 5.466) 7.055 13.496 ( -2.171 9.577 0.142) 9.821 13.729 ( -0.256 -2.403 -3.016) 3.865 14.156 ( 2.439 -0.236 -0.711) 2.551 14.477 ( -3.350 2.333 -1.506) 4.352 14.830 ( 0.361 -5.538 3.804) 6.729 15.298 ( 0.025 -2.111 -3.203) 3.836 16.345 ( -3.556 0.059 -1.329) 3.797 16.429 ( 3.918 7.685 7.842) 11.658 17.113 ( -4.618 -4.404 -0.950) 6.452 17.282 ( 1.350 -3.236 -5.998) 6.948 18.001 ( 8.163 -2.233 -5.855) 10.291 18.103 ( -5.948 6.730 6.315) 10.979 18.726 ( -0.957 -4.099 -0.761) 4.278 19.568 ( -0.178 -3.511 -1.208) 3.718 ======================= Grid point 228 (85/90) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.000 0.000 9.175) 9.175 2.355 ( -0.000 0.000 9.175) 9.175 2.655 ( 0.000 -0.000 -12.693) 12.693 2.655 ( 0.000 -0.000 -12.693) 12.693 3.093 ( 0.000 -0.000 -3.595) 3.595 3.390 ( -0.000 0.000 1.826) 1.826 3.419 ( 0.000 0.000 -0.233) 0.233 3.419 ( 0.000 -0.000 -0.233) 0.233 3.765 ( 0.000 -0.000 -4.260) 4.260 4.092 ( -0.000 0.000 5.030) 5.030 4.092 ( -0.000 0.000 5.030) 5.030 4.117 ( -0.000 0.000 7.971) 7.971 4.182 ( 0.000 -0.000 -3.569) 3.569 4.182 ( 0.000 -0.000 -3.569) 3.569 4.793 ( -0.000 0.000 13.814) 13.814 5.223 ( 0.000 -0.000 -7.419) 7.419 5.223 ( 0.000 -0.000 -7.419) 7.419 5.400 ( -0.000 0.000 4.855) 4.855 7.096 ( -0.000 0.000 1.882) 1.882 7.661 ( 0.000 -0.000 -6.984) 6.984 7.661 ( 0.000 -0.000 -6.984) 6.984 7.758 ( 0.000 -0.000 -9.562) 9.562 8.180 ( 0.000 0.000 2.071) 2.071 8.180 ( -0.000 0.000 2.071) 2.071 8.502 ( 0.000 0.000 0.581) 0.581 8.502 ( -0.000 -0.000 0.581) 0.581 8.773 ( 0.000 -0.000 -2.398) 2.398 9.016 ( 0.000 0.000 -0.636) 0.636 9.016 ( 0.000 -0.000 -0.636) 0.636 9.476 ( -0.000 0.000 1.675) 1.675 9.476 ( -0.000 -0.000 1.675) 1.675 10.157 ( 0.000 -0.000 -1.531) 1.531 10.307 ( 0.000 -0.000 -9.945) 9.945 10.307 ( 0.000 -0.000 -9.945) 9.945 10.556 ( 0.000 -0.000 -4.523) 4.523 10.785 ( -0.000 0.000 5.652) 5.652 10.785 ( -0.000 0.000 5.652) 5.652 11.084 ( 0.000 -0.000 -5.060) 5.060 11.439 ( 0.000 -0.000 -7.083) 7.083 11.439 ( 0.000 -0.000 -7.083) 7.083 11.998 ( 0.000 -0.000 -0.141) 0.141 12.464 ( -0.000 0.000 8.177) 8.177 12.780 ( -0.000 0.000 1.650) 1.650 12.908 ( -0.000 0.000 9.136) 9.136 12.908 ( -0.000 0.000 9.136) 9.136 13.557 ( 0.000 -0.000 -9.991) 9.991 13.557 ( 0.000 -0.000 -9.991) 9.991 14.128 ( -0.000 0.000 15.610) 15.610 14.329 ( -0.000 0.000 4.319) 4.319 14.329 ( -0.000 0.000 4.319) 4.319 14.939 ( -0.000 0.000 2.996) 2.996 14.939 ( -0.000 0.000 2.996) 2.996 15.887 ( 0.000 -0.000 -8.026) 8.026 16.975 ( 0.000 -0.000 -5.177) 5.177 17.391 ( -0.000 0.000 4.658) 4.658 17.391 ( -0.000 0.000 4.658) 4.658 17.718 ( 0.000 0.000 -0.506) 0.506 17.718 ( -0.000 -0.000 -0.506) 0.506 19.052 ( 0.000 -0.000 -1.872) 1.872 19.509 ( -0.000 0.000 5.367) 5.367 ======================= Grid point 229 (86/90) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -1.729 0.464 -3.420) 3.860 2.425 ( -4.132 -2.624 -4.163) 6.426 2.495 ( 1.688 0.390 2.361) 2.929 2.629 ( 6.407 1.526 -2.241) 6.957 3.023 ( -3.495 -2.050 -2.202) 4.612 3.251 ( -6.769 -10.462 -0.721) 12.482 3.389 ( -5.650 5.966 0.977) 8.275 3.509 ( -4.058 0.782 -0.925) 4.235 3.622 ( -1.601 -2.866 -3.470) 4.777 3.994 ( -3.352 -8.116 -1.869) 8.978 4.122 ( 0.029 -4.408 5.449) 7.009 4.181 ( -0.423 7.440 -0.873) 7.503 4.273 ( 5.473 8.238 3.060) 10.353 4.360 ( 13.194 2.779 2.258) 13.671 4.880 ( -7.140 -2.635 8.100) 11.115 5.148 ( 3.765 0.208 -3.893) 5.420 5.176 ( 1.089 0.130 -4.673) 4.800 5.422 ( -4.485 -1.428 3.270) 5.731 7.129 ( -0.302 -0.282 5.289) 5.305 7.560 ( -2.296 2.851 -4.606) 5.883 7.624 ( 5.901 -4.415 -6.901) 10.097 7.671 ( 1.490 4.228 -9.785) 10.763 8.169 ( -1.987 -0.743 4.783) 5.232 8.278 ( 3.062 2.257 1.646) 4.145 8.475 ( 0.485 -2.052 0.023) 2.108 8.551 ( 2.923 3.801 -1.779) 5.114 8.792 ( 4.939 1.073 -1.545) 5.285 8.952 ( -4.544 1.443 -0.366) 4.782 9.043 ( 3.460 -0.390 -3.127) 4.680 9.488 ( -0.992 -1.125 9.478) 9.596 9.619 ( 5.966 3.905 6.074) 9.366 10.102 ( -4.231 -1.041 -12.862) 13.580 10.174 ( 1.302 1.669 -3.606) 4.182 10.226 ( 5.398 0.929 -10.855) 12.159 10.555 ( 3.994 1.549 -0.906) 4.378 10.812 ( -3.642 -2.081 6.870) 8.049 10.916 ( 2.280 3.136 9.032) 9.829 11.033 ( 1.266 1.182 -4.726) 5.033 11.291 ( -0.736 -4.604 -8.621) 9.801 11.400 ( 1.281 3.400 -9.645) 10.307 11.972 ( -2.929 -1.972 0.545) 3.572 12.512 ( -3.520 -2.518 7.191) 8.393 12.725 ( -6.379 -3.625 2.001) 7.605 13.014 ( 1.408 -1.960 7.482) 7.861 13.087 ( 5.000 6.652 7.377) 11.121 13.412 ( -0.782 -0.898 -8.430) 8.513 13.480 ( 0.587 0.372 -9.655) 9.680 14.153 ( -11.689 -4.121 11.456) 16.878 14.322 ( -4.756 -6.872 2.760) 8.801 14.402 ( 1.199 1.513 0.962) 2.157 14.980 ( -0.383 -0.377 1.648) 1.733 15.028 ( 6.446 4.326 4.284) 8.867 15.858 ( 7.529 4.267 -6.799) 11.005 16.859 ( -7.124 -4.556 -3.504) 9.154 17.339 ( -7.218 -2.888 4.926) 9.204 17.527 ( -2.512 -0.687 2.700) 3.751 17.623 ( 4.031 1.500 2.412) 4.932 17.854 ( 8.946 4.450 -3.169) 10.482 18.999 ( -3.725 -2.048 -1.442) 4.489 19.570 ( 0.601 0.365 3.755) 3.820 ======================= Grid point 230 (87/90) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -8.289 -4.750 -1.992) 9.759 2.359 ( -2.607 0.684 0.683) 2.781 2.561 ( 3.935 -2.077 -2.727) 5.219 2.735 ( 3.408 -0.906 3.600) 5.039 2.943 ( -3.280 -4.612 1.744) 5.922 3.091 ( -6.355 -0.437 -1.487) 6.541 3.307 ( -7.085 3.950 -5.674) 9.899 3.398 ( -2.058 -1.271 -0.951) 2.599 3.649 ( 3.440 -0.425 -2.127) 4.066 3.857 ( -6.658 -6.135 2.101) 9.294 4.135 ( -1.284 -5.583 3.099) 6.513 4.245 ( 2.602 5.780 -0.196) 6.342 4.450 ( 4.752 11.401 1.776) 12.479 4.536 ( 10.521 -1.627 -0.944) 10.687 4.789 ( -12.605 -5.665 7.301) 15.629 5.148 ( 3.422 -1.187 -2.530) 4.418 5.219 ( 6.882 3.437 -1.953) 7.937 5.330 ( -8.451 -2.352 -0.500) 8.786 7.218 ( 1.673 0.251 8.571) 8.737 7.465 ( -2.352 0.563 -9.054) 9.371 7.629 ( 5.108 0.498 -6.123) 7.990 7.686 ( 8.016 5.102 -1.303) 9.591 8.211 ( -0.450 -0.516 5.383) 5.426 8.313 ( 0.158 1.818 -0.960) 2.062 8.488 ( 1.045 -1.011 0.301) 1.485 8.603 ( 3.946 3.772 -1.790) 5.745 8.824 ( 2.165 -2.051 -2.282) 3.755 8.912 ( -4.962 2.859 1.874) 6.025 9.110 ( 11.601 3.085 -1.901) 12.153 9.620 ( 2.409 -0.921 11.165) 11.459 9.820 ( 4.274 6.759 7.704) 11.104 9.900 ( -2.660 0.865 -10.860) 11.214 10.091 ( 3.308 -1.304 -12.499) 12.995 10.247 ( 3.497 1.788 -3.507) 5.265 10.662 ( 7.897 2.928 1.893) 8.632 10.826 ( -4.168 0.062 6.669) 7.865 11.024 ( 0.313 1.287 -2.206) 2.573 11.093 ( 2.578 4.022 9.937) 11.026 11.172 ( 4.547 -4.011 -8.064) 10.089 11.306 ( 0.139 2.240 -10.889) 11.118 11.903 ( -5.203 -3.316 0.429) 6.185 12.508 ( -4.463 -3.848 5.507) 8.065 12.614 ( -7.795 -4.109 0.474) 8.824 13.066 ( -2.479 -1.989 4.409) 5.435 13.246 ( -1.955 2.886 3.123) 4.680 13.344 ( 3.559 -0.084 -5.285) 6.372 13.380 ( 2.295 0.546 -4.192) 4.811 14.060 ( -15.067 -6.344 5.103) 17.126 14.181 ( -4.612 -4.096 0.768) 6.215 14.432 ( 2.319 -0.185 -0.469) 2.373 14.954 ( -3.458 -1.208 -0.755) 3.740 15.207 ( 6.818 3.659 3.299) 8.412 16.005 ( 13.812 7.865 -1.552) 15.970 16.644 ( -11.168 -6.906 -3.888) 13.694 17.285 ( -4.972 -5.153 5.412) 8.976 17.424 ( -8.537 2.521 -2.755) 9.318 17.813 ( 9.966 -3.928 6.984) 12.788 17.959 ( 6.941 9.141 -4.525) 12.337 18.896 ( -6.258 -3.415 -0.686) 7.162 19.607 ( -0.161 -0.046 1.684) 1.692 ======================= Grid point 237 (88/90) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -1.230 -3.209 -2.554) 4.282 2.382 ( 2.837 -0.480 -6.067) 6.714 2.554 ( -4.987 2.815 1.477) 5.914 2.598 ( 2.585 6.258 0.471) 6.787 3.015 ( 0.644 0.946 -1.375) 1.789 3.251 ( -4.703 -12.948 2.481) 13.997 3.409 ( 5.075 -7.109 -2.280) 9.027 3.476 ( 4.693 -9.322 0.200) 10.438 3.574 ( -4.006 1.295 -0.581) 4.250 4.024 ( -6.922 -1.191 -0.391) 7.035 4.066 ( 4.721 -0.809 -2.520) 5.412 4.233 ( 1.701 -0.240 3.513) 3.910 4.325 ( -0.454 8.725 4.051) 9.630 4.362 ( -0.112 9.846 -0.344) 9.853 4.994 ( 1.929 -3.088 4.543) 5.822 5.073 ( -1.316 -0.629 -1.536) 2.118 5.138 ( -0.932 4.616 -4.933) 6.820 5.461 ( 0.386 -6.384 2.418) 6.837 7.202 ( -0.187 -0.421 7.758) 7.772 7.480 ( 1.240 -2.622 -6.104) 6.758 7.539 ( -1.416 1.373 -4.352) 4.778 7.609 ( 0.217 7.113 -5.636) 9.078 8.233 ( -0.170 -0.733 4.894) 4.952 8.295 ( 0.726 1.968 0.493) 2.155 8.473 ( -2.433 0.777 -0.869) 2.698 8.515 ( 2.232 3.554 -1.945) 4.626 8.772 ( -0.537 4.016 -0.942) 4.160 8.950 ( 1.346 -1.778 0.554) 2.297 9.021 ( -0.998 3.080 -2.976) 4.397 9.626 ( -1.639 -0.755 11.805) 11.942 9.706 ( 1.821 3.612 12.491) 13.130 9.948 ( 1.564 -2.471 -14.899) 15.183 10.045 ( -1.655 3.100 -14.530) 14.949 10.174 ( -0.071 2.970 -0.021) 2.971 10.551 ( -0.234 5.838 -0.409) 5.857 10.934 ( 4.954 -1.717 4.825) 7.126 10.947 ( -4.989 -1.725 5.862) 7.888 11.032 ( 1.629 2.413 5.263) 6.015 11.177 ( -2.290 -2.854 -9.148) 9.852 11.298 ( 1.001 4.571 -10.831) 11.799 11.979 ( -0.091 -3.549 0.575) 3.596 12.575 ( -0.238 -3.292 3.898) 5.108 12.745 ( -0.045 -6.513 0.577) 6.539 13.100 ( -2.324 -1.635 7.715) 8.222 13.159 ( 3.287 5.192 6.093) 8.654 13.315 ( -0.549 -1.307 -6.323) 6.480 13.391 ( -0.133 4.027 -9.004) 9.865 14.248 ( 2.757 -14.415 7.638) 16.545 14.363 ( -5.256 -4.021 0.573) 6.642 14.408 ( 2.108 -1.949 -0.413) 2.900 14.970 ( 0.008 -2.538 2.290) 3.418 15.087 ( 0.325 9.151 1.623) 9.300 15.788 ( -0.077 11.258 -4.727) 12.210 16.827 ( -0.152 -10.397 -1.348) 10.485 17.414 ( -1.052 -6.480 5.651) 8.662 17.516 ( 3.685 -8.355 -4.011) 9.974 17.650 ( -2.343 8.198 7.213) 11.168 17.828 ( -0.106 11.991 -5.205) 13.072 18.986 ( 0.050 -4.230 -0.770) 4.300 19.604 ( 0.013 0.422 2.014) 2.057 ======================= Grid point 239 (89/90) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -2.059 -4.321 0.460) 4.809 2.366 ( 1.085 1.573 -2.311) 2.999 2.544 ( -1.600 -1.492 4.385) 4.901 2.703 ( 3.650 6.774 -1.086) 7.771 3.006 ( -3.695 -3.488 1.650) 5.343 3.120 ( -2.731 -6.676 1.006) 7.283 3.302 ( 0.345 -13.946 -2.739) 14.217 3.370 ( -7.914 0.238 -4.423) 9.070 3.621 ( 1.034 1.887 1.959) 2.910 3.948 ( -1.965 -4.377 2.630) 5.472 4.103 ( 0.953 -0.469 1.497) 1.836 4.284 ( -1.577 3.695 -1.632) 4.336 4.340 ( 4.557 0.783 -1.774) 4.953 4.538 ( 5.657 13.469 0.657) 14.623 4.921 ( -3.425 -8.475 -1.631) 9.285 5.118 ( -2.115 3.610 0.141) 4.186 5.151 ( 5.451 4.138 2.434) 7.264 5.372 ( -4.982 -9.054 -1.031) 10.385 7.279 ( 0.853 1.361 1.210) 2.011 7.398 ( -1.160 -1.930 -1.864) 2.923 7.559 ( 1.770 2.850 1.038) 3.512 7.652 ( 4.335 7.974 -0.097) 9.077 8.268 ( -0.260 -0.796 2.785) 2.908 8.292 ( 0.681 1.462 -3.740) 4.073 8.483 ( 0.468 0.431 2.003) 2.102 8.561 ( 2.939 4.709 -1.558) 5.765 8.791 ( -1.739 -0.091 -0.113) 1.745 8.979 ( 7.341 0.569 -1.324) 7.481 9.031 ( -1.501 7.565 1.834) 7.927 9.728 ( -1.964 -1.975 9.543) 9.941 9.792 ( 2.194 0.190 -11.182) 11.396 9.896 ( -0.197 3.142 -11.986) 12.392 9.945 ( 3.884 4.959 13.370) 14.779 10.213 ( 1.483 2.607 -0.012) 2.999 10.631 ( 4.084 7.310 0.588) 8.394 10.906 ( -1.485 -4.539 -2.062) 5.202 11.027 ( 3.992 0.620 1.372) 4.266 11.053 ( -6.081 2.024 -1.208) 6.522 11.182 ( 5.341 0.572 4.163) 6.796 11.216 ( -0.070 4.218 -2.989) 5.170 11.930 ( -2.909 -5.030 0.155) 5.812 12.557 ( -2.289 -4.092 0.724) 4.745 12.658 ( -4.395 -7.335 -0.211) 8.554 13.118 ( -1.018 -3.472 1.614) 3.962 13.245 ( 0.292 0.115 -3.560) 3.574 13.318 ( -2.791 4.211 -3.376) 6.076 13.334 ( 5.494 2.532 4.926) 7.801 14.143 ( -9.880 -13.465 -3.554) 17.075 14.246 ( -0.210 -8.199 4.474) 9.342 14.409 ( -1.595 1.885 -0.573) 2.535 14.960 ( -1.122 -3.153 -0.022) 3.347 15.196 ( 4.061 7.593 -0.173) 8.613 15.925 ( 8.107 14.095 0.078) 16.260 16.678 ( -7.024 -12.019 0.189) 13.922 17.329 ( -4.747 -9.157 2.329) 10.575 17.464 ( -0.874 -1.927 -5.667) 6.049 17.787 ( 0.557 5.745 5.268) 7.814 17.913 ( 7.821 9.922 -2.194) 12.823 18.920 ( -3.243 -5.621 -0.107) 6.491 19.618 ( 0.023 0.045 -0.030) 0.059 ======================= Grid point 316 (90/90) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -0.000 0.000 0.000) 0.000 2.350 ( -0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 -0.000 0.000) 0.000 3.444 ( 0.000 0.000 -0.000) 0.000 3.474 ( -0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.024 ( -0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.281 ( -0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.069 ( -0.000 0.000 0.000) 0.000 5.069 ( -0.000 0.000 -0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 -0.000) 0.000 7.517 ( -0.000 0.000 -0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 8.284 ( -0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.459 ( -0.000 0.000 -0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.804 ( -0.000 -0.000 -0.000) 0.000 9.804 ( -0.000 -0.000 0.000) 0.000 9.828 ( 0.000 0.000 -0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.146 ( -0.000 0.000 -0.000) 0.000 10.502 ( -0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.089 ( -0.000 0.000 -0.000) 0.000 11.089 ( -0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 -0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 12.009 ( -0.000 0.000 0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.809 ( 0.000 0.000 0.000) 0.000 13.172 ( -0.000 0.000 -0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.279 ( -0.000 0.000 -0.000) 0.000 13.279 ( -0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.475 ( -0.000 0.000 0.000) 0.000 15.004 ( -0.000 0.000 0.000) 0.000 15.004 ( 0.000 0.000 0.000) 0.000 15.655 ( -0.000 0.000 0.000) 0.000 16.910 ( -0.000 0.000 0.000) 0.000 17.581 ( -0.000 -0.000 0.000) 0.000 17.581 ( 0.000 -0.000 0.000) 0.000 17.610 ( -0.000 0.000 -0.000) 0.000 17.610 ( 0.000 0.000 -0.000) 0.000 19.015 ( -0.000 0.000 0.000) 0.000 19.613 ( -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 3/30720 10.0 12080.463 12080.463 12911.122 0.000 -0.000 0.000 3/30720 20.0 1810.983 1810.983 1657.299 0.000 -0.000 0.000 3/30720 30.0 661.264 661.264 581.978 0.000 -0.000 0.000 3/30720 40.0 358.613 358.613 312.510 0.000 -0.000 0.000 3/30720 50.0 229.032 229.032 199.070 0.000 -0.000 0.000 3/30720 60.0 158.481 158.481 137.774 0.000 -0.000 0.000 3/30720 70.0 115.443 115.443 100.464 0.000 -0.000 0.000 3/30720 80.0 87.500 87.500 76.229 0.000 -0.000 0.000 3/30720 90.0 68.573 68.573 59.792 0.000 -0.000 0.000 3/30720 100.0 55.306 55.306 48.254 0.000 -0.000 0.000 3/30720 110.0 45.724 45.724 39.911 0.000 -0.000 0.000 3/30720 120.0 38.613 38.613 33.713 0.000 -0.000 0.000 3/30720 130.0 33.206 33.206 28.998 0.000 -0.000 0.000 3/30720 140.0 29.003 29.003 25.330 0.000 -0.000 0.000 3/30720 150.0 25.671 25.671 22.421 0.000 -0.000 0.000 3/30720 160.0 22.981 22.981 20.073 0.000 -0.000 0.000 3/30720 170.0 20.777 20.777 18.147 0.000 -0.000 0.000 3/30720 180.0 18.943 18.943 16.546 0.000 -0.000 0.000 3/30720 190.0 17.399 17.399 15.197 0.000 -0.000 0.000 3/30720 200.0 16.084 16.084 14.048 0.000 -0.000 0.000 3/30720 210.0 14.952 14.952 13.059 0.000 -0.000 0.000 3/30720 220.0 13.969 13.969 12.201 0.000 -0.000 0.000 3/30720 230.0 13.108 13.108 11.448 0.000 -0.000 0.000 3/30720 240.0 12.348 12.348 10.785 0.000 -0.000 0.000 3/30720 250.0 11.673 11.673 10.195 0.000 -0.000 0.000 3/30720 260.0 11.070 11.070 9.668 0.000 -0.000 0.000 3/30720 270.0 10.527 10.527 9.194 0.000 -0.000 0.000 3/30720 280.0 10.036 10.036 8.765 0.000 -0.000 0.000 3/30720 290.0 9.591 9.591 8.376 0.000 -0.000 0.000 3/30720 300.0 9.185 9.185 8.021 0.000 -0.000 0.000 3/30720 310.0 8.812 8.812 7.696 0.000 -0.000 0.000 3/30720 320.0 8.470 8.470 7.398 0.000 -0.000 0.000 3/30720 330.0 8.155 8.155 7.122 0.000 -0.000 0.000 3/30720 340.0 7.863 7.863 6.867 0.000 -0.000 0.000 3/30720 350.0 7.592 7.592 6.630 0.000 -0.000 0.000 3/30720 360.0 7.339 7.339 6.410 0.000 -0.000 0.000 3/30720 370.0 7.104 7.104 6.204 0.000 -0.000 0.000 3/30720 380.0 6.884 6.884 6.012 0.000 -0.000 0.000 3/30720 390.0 6.677 6.677 5.831 0.000 -0.000 0.000 3/30720 400.0 6.483 6.483 5.662 0.000 -0.000 0.000 3/30720 410.0 6.300 6.300 5.502 0.000 -0.000 0.000 3/30720 420.0 6.128 6.128 5.352 0.000 -0.000 0.000 3/30720 430.0 5.966 5.966 5.210 0.000 -0.000 0.000 3/30720 440.0 5.812 5.812 5.075 0.000 -0.000 0.000 3/30720 450.0 5.666 5.666 4.948 0.000 -0.000 0.000 3/30720 460.0 5.527 5.527 4.827 0.000 -0.000 0.000 3/30720 470.0 5.395 5.395 4.712 0.000 -0.000 0.000 3/30720 480.0 5.270 5.270 4.602 0.000 -0.000 0.000 3/30720 490.0 5.150 5.150 4.498 0.000 -0.000 0.000 3/30720 500.0 5.036 5.036 4.399 0.000 -0.000 0.000 3/30720 510.0 4.928 4.928 4.303 0.000 -0.000 0.000 3/30720 520.0 4.823 4.823 4.213 0.000 -0.000 0.000 3/30720 530.0 4.724 4.724 4.125 0.000 -0.000 0.000 3/30720 540.0 4.628 4.628 4.042 0.000 -0.000 0.000 3/30720 550.0 4.537 4.537 3.962 0.000 -0.000 0.000 3/30720 560.0 4.449 4.449 3.885 0.000 -0.000 0.000 3/30720 570.0 4.364 4.364 3.811 0.000 -0.000 0.000 3/30720 580.0 4.283 4.283 3.740 0.000 -0.000 0.000 3/30720 590.0 4.205 4.205 3.672 0.000 -0.000 0.000 3/30720 600.0 4.129 4.129 3.606 0.000 -0.000 0.000 3/30720 610.0 4.057 4.057 3.543 0.000 -0.000 0.000 3/30720 620.0 3.987 3.987 3.482 0.000 -0.000 0.000 3/30720 630.0 3.919 3.919 3.423 0.000 -0.000 0.000 3/30720 640.0 3.854 3.854 3.366 0.000 -0.000 0.000 3/30720 650.0 3.791 3.791 3.310 0.000 -0.000 0.000 3/30720 660.0 3.730 3.730 3.257 0.000 -0.000 0.000 3/30720 670.0 3.670 3.670 3.206 0.000 -0.000 0.000 3/30720 680.0 3.613 3.613 3.156 0.000 -0.000 0.000 3/30720 690.0 3.558 3.558 3.107 0.000 -0.000 0.000 3/30720 700.0 3.504 3.504 3.061 0.000 -0.000 0.000 3/30720 710.0 3.452 3.452 3.015 0.000 -0.000 0.000 3/30720 720.0 3.402 3.402 2.971 0.000 -0.000 0.000 3/30720 730.0 3.353 3.353 2.928 0.000 -0.000 0.000 3/30720 740.0 3.305 3.305 2.887 0.000 -0.000 0.000 3/30720 750.0 3.259 3.259 2.846 0.000 -0.000 0.000 3/30720 760.0 3.214 3.214 2.807 0.000 -0.000 0.000 3/30720 770.0 3.170 3.170 2.769 0.000 -0.000 0.000 3/30720 780.0 3.128 3.128 2.732 0.000 -0.000 0.000 3/30720 790.0 3.087 3.087 2.696 0.000 -0.000 0.000 3/30720 800.0 3.046 3.046 2.661 0.000 -0.000 0.000 3/30720 810.0 3.007 3.007 2.626 0.000 -0.000 0.000 3/30720 820.0 2.969 2.969 2.593 0.000 -0.000 0.000 3/30720 830.0 2.932 2.932 2.561 0.000 -0.000 0.000 3/30720 840.0 2.896 2.896 2.529 0.000 -0.000 0.000 3/30720 850.0 2.860 2.860 2.498 0.000 -0.000 0.000 3/30720 860.0 2.826 2.826 2.468 0.000 -0.000 0.000 3/30720 870.0 2.792 2.792 2.438 0.000 -0.000 0.000 3/30720 880.0 2.759 2.759 2.410 0.000 -0.000 0.000 3/30720 890.0 2.727 2.727 2.382 0.000 -0.000 0.000 3/30720 900.0 2.696 2.696 2.354 0.000 -0.000 0.000 3/30720 910.0 2.665 2.665 2.328 0.000 -0.000 0.000 3/30720 920.0 2.635 2.635 2.302 0.000 -0.000 0.000 3/30720 930.0 2.606 2.606 2.276 0.000 -0.000 0.000 3/30720 940.0 2.577 2.577 2.251 0.000 -0.000 0.000 3/30720 950.0 2.549 2.549 2.227 0.000 -0.000 0.000 3/30720 960.0 2.522 2.522 2.203 0.000 -0.000 0.000 3/30720 970.0 2.495 2.495 2.179 0.000 -0.000 0.000 3/30720 980.0 2.469 2.469 2.156 0.000 -0.000 0.000 3/30720 990.0 2.444 2.444 2.134 0.000 -0.000 0.000 3/30720 1000.0 2.418 2.418 2.112 0.000 -0.000 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:22:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|