----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:40:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120381787612933 -4.562522259999999 0.000000000000000 b 5.120381787612933 4.562522259999999 0.000000000000000 c -1.664721900185224 0.000000000000000 5.331962540122468 Atomic positions (fractional): *1 O 0.63140474188994 0.64728979492297 0.97920150978977 15.999 2 O 0.35271020507703 0.36859525811006 0.52079849021023 15.999 3 O 0.36859525811006 0.35271020507703 0.02079849021023 15.999 4 O 0.64728979492297 0.63140474188994 0.47920150978977 15.999 *5 O 0.37740380533118 0.90685077402810 0.69281848480982 15.999 6 O 0.09314922597190 0.62259619466882 0.80718151519018 15.999 7 O 0.62259619466882 0.09314922597190 0.30718151519018 15.999 8 O 0.90685077402810 0.37740380533118 0.19281848480982 15.999 *9 O 0.97263701763542 0.80969660239298 0.36301882206361 15.999 10 O 0.19030339760702 0.02736298236458 0.13698117793639 15.999 11 O 0.02736298236458 0.19030339760702 0.63698117793639 15.999 12 O 0.80969660239298 0.97263701763542 0.86301882206361 15.999 *13 Na 0.30331144221122 0.69668855778878 0.25000000000000 22.990 14 Na 0.69668855778878 0.30331144221122 0.75000000000000 22.990 *15 Sc 0.90091934248397 0.09908065751603 0.25000000000000 44.956 16 Sc 0.09908065751603 0.90091934248397 0.75000000000000 44.956 *17 Ge 0.80403720439876 0.62010292125241 0.26230461781539 72.640 18 Ge 0.37989707874759 0.19596279560124 0.23769538218461 72.640 19 Ge 0.19596279560124 0.37989707874759 0.73769538218461 72.640 20 Ge 0.62010292125241 0.80403720439876 0.76230461781539 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.240763575225866 0.000000000000000 0.000000000000000 b 0.000000000000000 9.125044519999998 0.000000000000000 c -1.664721900185224 0.000000000000000 5.331962540122468 Atomic positions (fractional): *1 O 0.13934726840646 0.50794252651651 0.97920150978977 15.999 > 1 2 O 0.86065273159355 0.50794252651651 0.52079849021023 15.999 > 2 3 O 0.86065273159355 0.49205747348349 0.02079849021023 15.999 > 3 4 O 0.13934726840646 0.49205747348349 0.47920150978977 15.999 > 4 *5 O 0.14212728967964 0.76472348434846 0.69281848480982 15.999 > 5 6 O 0.85787271032036 0.76472348434846 0.80718151519018 15.999 > 6 7 O 0.85787271032036 0.23527651565154 0.30718151519018 15.999 > 7 8 O 0.14212728967964 0.23527651565154 0.19281848480982 15.999 > 8 *9 O 0.39116681001420 0.41852979237878 0.36301882206361 15.999 > 9 10 O 0.60883318998580 0.41852979237878 0.13698117793639 15.999 > 10 11 O 0.60883318998580 0.58147020762122 0.63698117793639 15.999 > 11 12 O 0.39116681001420 0.58147020762122 0.86301882206361 15.999 > 12 13 O 0.63934726840645 0.00794252651651 0.97920150978977 15.999 > 1 14 O 0.36065273159354 0.00794252651651 0.52079849021023 15.999 > 2 15 O 0.36065273159354 0.99205747348349 0.02079849021023 15.999 > 3 16 O 0.63934726840645 0.99205747348349 0.47920150978977 15.999 > 4 17 O 0.64212728967964 0.26472348434846 0.69281848480982 15.999 > 5 18 O 0.35787271032036 0.26472348434846 0.80718151519018 15.999 > 6 19 O 0.35787271032036 0.73527651565154 0.30718151519018 15.999 > 7 20 O 0.64212728967964 0.73527651565154 0.19281848480982 15.999 > 8 21 O 0.89116681001420 0.91852979237878 0.36301882206361 15.999 > 9 22 O 0.10883318998580 0.91852979237878 0.13698117793639 15.999 > 10 23 O 0.10883318998580 0.08147020762122 0.63698117793639 15.999 > 11 24 O 0.89116681001420 0.08147020762122 0.86301882206361 15.999 > 12 *25 Na 0.00000000000000 0.69668855778878 0.25000000000000 22.990 > 13 26 Na 0.00000000000000 0.30331144221122 0.75000000000000 22.990 > 14 27 Na 0.50000000000000 0.19668855778878 0.25000000000000 22.990 > 13 28 Na 0.50000000000000 0.80331144221122 0.75000000000000 22.990 > 14 *29 Sc 0.00000000000000 0.09908065751603 0.25000000000000 44.956 > 15 30 Sc 0.00000000000000 0.90091934248397 0.75000000000000 44.956 > 16 31 Sc 0.50000000000000 0.59908065751603 0.25000000000000 44.956 > 15 32 Sc 0.50000000000000 0.40091934248397 0.75000000000000 44.956 > 16 *33 Ge 0.21207006282558 0.40803285842683 0.26230461781539 72.640 > 17 34 Ge 0.78792993717441 0.40803285842683 0.23769538218461 72.640 > 18 35 Ge 0.78792993717441 0.59196714157317 0.73769538218461 72.640 > 19 36 Ge 0.21207006282558 0.59196714157317 0.76230461781539 72.640 > 20 37 Ge 0.71207006282559 0.90803285842683 0.26230461781539 72.640 > 17 38 Ge 0.28792993717442 0.90803285842683 0.23769538218461 72.640 > 18 39 Ge 0.28792993717442 0.09196714157317 0.73769538218461 72.640 > 19 40 Ge 0.71207006282559 0.09196714157317 0.76230461781539 72.640 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.240763575225866 0.000000000000000 0.000000000000000 b 0.000000000000000 9.125044519999998 0.000000000000000 c -3.329443800370448 0.000000000000000 10.663925080244937 Atomic positions (fractional): *1 O 0.13934726840646 0.50794252651651 0.48960075489488 15.999 > 1 2 O 0.13934726840646 0.50794252651651 0.98960075489488 15.999 > 1 3 O 0.86065273159355 0.50794252651651 0.26039924510512 15.999 > 2 4 O 0.86065273159355 0.50794252651651 0.76039924510512 15.999 > 2 5 O 0.86065273159355 0.49205747348349 0.01039924510512 15.999 > 3 6 O 0.86065273159355 0.49205747348349 0.51039924510512 15.999 > 3 7 O 0.13934726840646 0.49205747348349 0.23960075489488 15.999 > 4 8 O 0.13934726840646 0.49205747348349 0.73960075489488 15.999 > 4 *9 O 0.14212728967964 0.76472348434846 0.34640924240491 15.999 > 5 10 O 0.14212728967964 0.76472348434846 0.84640924240491 15.999 > 5 11 O 0.85787271032036 0.76472348434846 0.40359075759509 15.999 > 6 12 O 0.85787271032036 0.76472348434846 0.90359075759509 15.999 > 6 13 O 0.85787271032036 0.23527651565154 0.15359075759509 15.999 > 7 14 O 0.85787271032036 0.23527651565154 0.65359075759509 15.999 > 7 15 O 0.14212728967964 0.23527651565154 0.09640924240491 15.999 > 8 16 O 0.14212728967964 0.23527651565154 0.59640924240491 15.999 > 8 *17 O 0.39116681001420 0.41852979237878 0.18150941103180 15.999 > 9 18 O 0.39116681001420 0.41852979237878 0.68150941103180 15.999 > 9 19 O 0.60883318998580 0.41852979237878 0.06849058896820 15.999 > 10 20 O 0.60883318998580 0.41852979237878 0.56849058896820 15.999 > 10 21 O 0.60883318998580 0.58147020762122 0.31849058896820 15.999 > 11 22 O 0.60883318998580 0.58147020762122 0.81849058896820 15.999 > 11 23 O 0.39116681001420 0.58147020762122 0.43150941103180 15.999 > 12 24 O 0.39116681001420 0.58147020762122 0.93150941103180 15.999 > 12 25 O 0.63934726840645 0.00794252651651 0.48960075489488 15.999 > 1 26 O 0.63934726840645 0.00794252651651 0.98960075489488 15.999 > 1 27 O 0.36065273159354 0.00794252651651 0.26039924510512 15.999 > 2 28 O 0.36065273159354 0.00794252651651 0.76039924510512 15.999 > 2 29 O 0.36065273159354 0.99205747348349 0.01039924510512 15.999 > 3 30 O 0.36065273159354 0.99205747348349 0.51039924510512 15.999 > 3 31 O 0.63934726840645 0.99205747348349 0.23960075489488 15.999 > 4 32 O 0.63934726840645 0.99205747348349 0.73960075489488 15.999 > 4 33 O 0.64212728967964 0.26472348434846 0.34640924240491 15.999 > 5 34 O 0.64212728967964 0.26472348434846 0.84640924240491 15.999 > 5 35 O 0.35787271032036 0.26472348434846 0.40359075759509 15.999 > 6 36 O 0.35787271032036 0.26472348434846 0.90359075759509 15.999 > 6 37 O 0.35787271032036 0.73527651565154 0.15359075759509 15.999 > 7 38 O 0.35787271032036 0.73527651565154 0.65359075759509 15.999 > 7 39 O 0.64212728967964 0.73527651565154 0.09640924240491 15.999 > 8 40 O 0.64212728967964 0.73527651565154 0.59640924240491 15.999 > 8 41 O 0.89116681001420 0.91852979237878 0.18150941103180 15.999 > 9 42 O 0.89116681001420 0.91852979237878 0.68150941103180 15.999 > 9 43 O 0.10883318998580 0.91852979237878 0.06849058896820 15.999 > 10 44 O 0.10883318998580 0.91852979237878 0.56849058896820 15.999 > 10 45 O 0.10883318998580 0.08147020762122 0.31849058896820 15.999 > 11 46 O 0.10883318998580 0.08147020762122 0.81849058896820 15.999 > 11 47 O 0.89116681001420 0.08147020762122 0.43150941103180 15.999 > 12 48 O 0.89116681001420 0.08147020762122 0.93150941103180 15.999 > 12 *49 Na 0.00000000000000 0.69668855778878 0.12500000000000 22.990 > 13 50 Na 0.00000000000000 0.69668855778878 0.62500000000000 22.990 > 13 51 Na 0.00000000000000 0.30331144221122 0.37500000000000 22.990 > 14 52 Na 0.00000000000000 0.30331144221122 0.87500000000000 22.990 > 14 53 Na 0.50000000000000 0.19668855778878 0.12500000000000 22.990 > 13 54 Na 0.50000000000000 0.19668855778878 0.62500000000000 22.990 > 13 55 Na 0.50000000000000 0.80331144221122 0.37500000000000 22.990 > 14 56 Na 0.50000000000000 0.80331144221122 0.87500000000000 22.990 > 14 *57 Sc 0.00000000000000 0.09908065751603 0.12500000000000 44.956 > 15 58 Sc 0.00000000000000 0.09908065751603 0.62500000000000 44.956 > 15 59 Sc 0.00000000000000 0.90091934248397 0.37500000000000 44.956 > 16 60 Sc 0.00000000000000 0.90091934248397 0.87500000000000 44.956 > 16 61 Sc 0.50000000000000 0.59908065751603 0.12500000000000 44.956 > 15 62 Sc 0.50000000000000 0.59908065751603 0.62500000000000 44.956 > 15 63 Sc 0.50000000000000 0.40091934248397 0.37500000000000 44.956 > 16 64 Sc 0.50000000000000 0.40091934248397 0.87500000000000 44.956 > 16 *65 Ge 0.21207006282558 0.40803285842683 0.13115230890770 72.640 > 17 66 Ge 0.21207006282558 0.40803285842683 0.63115230890770 72.640 > 17 67 Ge 0.78792993717441 0.40803285842683 0.11884769109230 72.640 > 18 68 Ge 0.78792993717441 0.40803285842683 0.61884769109230 72.640 > 18 69 Ge 0.78792993717441 0.59196714157317 0.36884769109230 72.640 > 19 70 Ge 0.78792993717441 0.59196714157317 0.86884769109230 72.640 > 19 71 Ge 0.21207006282558 0.59196714157317 0.38115230890770 72.640 > 20 72 Ge 0.21207006282558 0.59196714157317 0.88115230890770 72.640 > 20 73 Ge 0.71207006282559 0.90803285842683 0.13115230890770 72.640 > 17 74 Ge 0.71207006282559 0.90803285842683 0.63115230890770 72.640 > 17 75 Ge 0.28792993717442 0.90803285842683 0.11884769109230 72.640 > 18 76 Ge 0.28792993717442 0.90803285842683 0.61884769109230 72.640 > 18 77 Ge 0.28792993717442 0.09196714157317 0.36884769109230 72.640 > 19 78 Ge 0.28792993717442 0.09196714157317 0.86884769109230 72.640 > 19 79 Ge 0.71207006282559 0.09196714157317 0.38115230890770 72.640 > 20 80 Ge 0.71207006282559 0.09196714157317 0.88115230890770 72.640 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5794347 0.0000000 0.0377953 0.0000000 3.5206343 0.0000000 0.0377907 0.0000000 3.4634713 -------------------------- Born effective charges -------------------------- 1 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 2 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 3 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 4 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 5 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 6 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 7 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 8 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 9 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 10 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 11 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 12 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 13 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 14 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 15 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 16 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 17 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 18 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 19 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 20 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.198 Solver_block: 200 / 640 - Time: 2.182 Solver_block: 300 / 640 - Time: 2.178 Solver_block: 400 / 640 - Time: 2.183 Solver_block: 500 / 640 - Time: 2.182 Solver_block: 600 / 640 - Time: 2.186 Solver_block: 640 / 640 - Time: 0.931 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.087 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-07 22:40:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:38]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120381787612933 -4.562522259999999 0.000000000000000 b 5.120381787612933 4.562522259999999 0.000000000000000 c -1.664721900185224 0.000000000000000 5.331962540122468 Atomic positions (fractional): 1 O 0.63140474188994 0.64728979492297 0.97920150978977 15.999 2 O 0.35271020507703 0.36859525811006 0.52079849021023 15.999 3 O 0.36859525811006 0.35271020507703 0.02079849021023 15.999 4 O 0.64728979492297 0.63140474188994 0.47920150978977 15.999 5 O 0.37740380533118 0.90685077402810 0.69281848480982 15.999 6 O 0.09314922597190 0.62259619466882 0.80718151519018 15.999 7 O 0.62259619466882 0.09314922597190 0.30718151519018 15.999 8 O 0.90685077402810 0.37740380533118 0.19281848480982 15.999 9 O 0.97263701763542 0.80969660239298 0.36301882206361 15.999 10 O 0.19030339760702 0.02736298236458 0.13698117793639 15.999 11 O 0.02736298236458 0.19030339760702 0.63698117793639 15.999 12 O 0.80969660239298 0.97263701763542 0.86301882206361 15.999 13 Na 0.30331144221122 0.69668855778878 0.25000000000000 22.990 14 Na 0.69668855778878 0.30331144221122 0.75000000000000 22.990 15 Sc 0.90091934248397 0.09908065751603 0.25000000000000 44.956 16 Sc 0.09908065751603 0.90091934248397 0.75000000000000 44.956 17 Ge 0.80403720439876 0.62010292125241 0.26230461781539 72.640 18 Ge 0.37989707874759 0.19596279560124 0.23769538218461 72.640 19 Ge 0.19596279560124 0.37989707874759 0.73769538218461 72.640 20 Ge 0.62010292125241 0.80403720439876 0.76230461781539 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.240763575225866 0.000000000000000 0.000000000000000 b 0.000000000000000 9.125044519999998 0.000000000000000 c -3.329443800370448 0.000000000000000 10.663925080244937 Atomic positions (fractional): 1 O 0.13934726840646 0.50794252651651 0.48960075489488 15.999 > 1 2 O 0.13934726840646 0.50794252651651 0.98960075489488 15.999 > 1 3 O 0.86065273159355 0.50794252651651 0.26039924510512 15.999 > 3 4 O 0.86065273159355 0.50794252651651 0.76039924510512 15.999 > 3 5 O 0.86065273159355 0.49205747348349 0.01039924510512 15.999 > 5 6 O 0.86065273159355 0.49205747348349 0.51039924510512 15.999 > 5 7 O 0.13934726840646 0.49205747348349 0.23960075489488 15.999 > 7 8 O 0.13934726840646 0.49205747348349 0.73960075489488 15.999 > 7 9 O 0.14212728967964 0.76472348434846 0.34640924240491 15.999 > 9 10 O 0.14212728967964 0.76472348434846 0.84640924240491 15.999 > 9 11 O 0.85787271032036 0.76472348434846 0.40359075759509 15.999 > 11 12 O 0.85787271032036 0.76472348434846 0.90359075759509 15.999 > 11 13 O 0.85787271032036 0.23527651565154 0.15359075759509 15.999 > 13 14 O 0.85787271032036 0.23527651565154 0.65359075759509 15.999 > 13 15 O 0.14212728967964 0.23527651565154 0.09640924240491 15.999 > 15 16 O 0.14212728967964 0.23527651565154 0.59640924240491 15.999 > 15 17 O 0.39116681001420 0.41852979237878 0.18150941103180 15.999 > 17 18 O 0.39116681001420 0.41852979237878 0.68150941103180 15.999 > 17 19 O 0.60883318998580 0.41852979237878 0.06849058896820 15.999 > 19 20 O 0.60883318998580 0.41852979237878 0.56849058896820 15.999 > 19 21 O 0.60883318998580 0.58147020762122 0.31849058896820 15.999 > 21 22 O 0.60883318998580 0.58147020762122 0.81849058896820 15.999 > 21 23 O 0.39116681001420 0.58147020762122 0.43150941103180 15.999 > 23 24 O 0.39116681001420 0.58147020762122 0.93150941103180 15.999 > 23 25 O 0.63934726840645 0.00794252651651 0.48960075489488 15.999 > 1 26 O 0.63934726840645 0.00794252651651 0.98960075489488 15.999 > 1 27 O 0.36065273159354 0.00794252651651 0.26039924510512 15.999 > 3 28 O 0.36065273159354 0.00794252651651 0.76039924510512 15.999 > 3 29 O 0.36065273159354 0.99205747348349 0.01039924510512 15.999 > 5 30 O 0.36065273159354 0.99205747348349 0.51039924510512 15.999 > 5 31 O 0.63934726840645 0.99205747348349 0.23960075489488 15.999 > 7 32 O 0.63934726840645 0.99205747348349 0.73960075489488 15.999 > 7 33 O 0.64212728967964 0.26472348434846 0.34640924240491 15.999 > 9 34 O 0.64212728967964 0.26472348434846 0.84640924240491 15.999 > 9 35 O 0.35787271032036 0.26472348434846 0.40359075759509 15.999 > 11 36 O 0.35787271032036 0.26472348434846 0.90359075759509 15.999 > 11 37 O 0.35787271032036 0.73527651565154 0.15359075759509 15.999 > 13 38 O 0.35787271032036 0.73527651565154 0.65359075759509 15.999 > 13 39 O 0.64212728967964 0.73527651565154 0.09640924240491 15.999 > 15 40 O 0.64212728967964 0.73527651565154 0.59640924240491 15.999 > 15 41 O 0.89116681001420 0.91852979237878 0.18150941103180 15.999 > 17 42 O 0.89116681001420 0.91852979237878 0.68150941103180 15.999 > 17 43 O 0.10883318998580 0.91852979237878 0.06849058896820 15.999 > 19 44 O 0.10883318998580 0.91852979237878 0.56849058896820 15.999 > 19 45 O 0.10883318998580 0.08147020762122 0.31849058896820 15.999 > 21 46 O 0.10883318998580 0.08147020762122 0.81849058896820 15.999 > 21 47 O 0.89116681001420 0.08147020762122 0.43150941103180 15.999 > 23 48 O 0.89116681001420 0.08147020762122 0.93150941103180 15.999 > 23 49 Na 0.00000000000000 0.69668855778878 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.69668855778878 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.30331144221122 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.30331144221122 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.19668855778878 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.19668855778878 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.80331144221122 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.80331144221122 0.87500000000000 22.990 > 51 57 Sc 0.00000000000000 0.09908065751603 0.12500000000000 44.956 > 57 58 Sc 0.00000000000000 0.09908065751603 0.62500000000000 44.956 > 57 59 Sc 0.00000000000000 0.90091934248397 0.37500000000000 44.956 > 59 60 Sc 0.00000000000000 0.90091934248397 0.87500000000000 44.956 > 59 61 Sc 0.50000000000000 0.59908065751603 0.12500000000000 44.956 > 57 62 Sc 0.50000000000000 0.59908065751603 0.62500000000000 44.956 > 57 63 Sc 0.50000000000000 0.40091934248397 0.37500000000000 44.956 > 59 64 Sc 0.50000000000000 0.40091934248397 0.87500000000000 44.956 > 59 65 Ge 0.21207006282558 0.40803285842683 0.13115230890770 72.640 > 65 66 Ge 0.21207006282558 0.40803285842683 0.63115230890770 72.640 > 65 67 Ge 0.78792993717441 0.40803285842683 0.11884769109230 72.640 > 67 68 Ge 0.78792993717441 0.40803285842683 0.61884769109230 72.640 > 67 69 Ge 0.78792993717441 0.59196714157317 0.36884769109230 72.640 > 69 70 Ge 0.78792993717441 0.59196714157317 0.86884769109230 72.640 > 69 71 Ge 0.21207006282558 0.59196714157317 0.38115230890770 72.640 > 71 72 Ge 0.21207006282558 0.59196714157317 0.88115230890770 72.640 > 71 73 Ge 0.71207006282559 0.90803285842683 0.13115230890770 72.640 > 65 74 Ge 0.71207006282559 0.90803285842683 0.63115230890770 72.640 > 65 75 Ge 0.28792993717442 0.90803285842683 0.11884769109230 72.640 > 67 76 Ge 0.28792993717442 0.90803285842683 0.61884769109230 72.640 > 67 77 Ge 0.28792993717442 0.09196714157317 0.36884769109230 72.640 > 69 78 Ge 0.28792993717442 0.09196714157317 0.86884769109230 72.640 > 69 79 Ge 0.71207006282559 0.09196714157317 0.38115230890770 72.640 > 71 80 Ge 0.71207006282559 0.09196714157317 0.88115230890770 72.640 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5794347 0.0000000 0.0377953 0.0000000 3.5206343 0.0000000 0.0377907 0.0000000 3.4634713 -------------------------- Born effective charges -------------------------- 1 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 2 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 3 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 4 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 5 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 6 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 7 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 8 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 9 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 10 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 11 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 12 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 13 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 14 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 15 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 16 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 17 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 18 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 19 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 20 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (xz) -0.00000007 (xz) 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 2026-01-07 22:40:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:40:53]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.120381787612933 -4.562522259999999 0.000000000000000 b 5.120381787612933 4.562522259999999 0.000000000000000 c -1.664721900185224 0.000000000000000 5.331962540122468 Atomic positions (fractional): 1 O 0.63140474188994 0.64728979492297 0.97920150978977 15.999 2 O 0.35271020507703 0.36859525811006 0.52079849021023 15.999 3 O 0.36859525811006 0.35271020507703 0.02079849021023 15.999 4 O 0.64728979492297 0.63140474188994 0.47920150978977 15.999 5 O 0.37740380533118 0.90685077402810 0.69281848480982 15.999 6 O 0.09314922597190 0.62259619466882 0.80718151519018 15.999 7 O 0.62259619466882 0.09314922597190 0.30718151519018 15.999 8 O 0.90685077402810 0.37740380533118 0.19281848480982 15.999 9 O 0.97263701763542 0.80969660239298 0.36301882206361 15.999 10 O 0.19030339760702 0.02736298236458 0.13698117793639 15.999 11 O 0.02736298236458 0.19030339760702 0.63698117793639 15.999 12 O 0.80969660239298 0.97263701763542 0.86301882206361 15.999 13 Na 0.30331144221122 0.69668855778878 0.25000000000000 22.990 14 Na 0.69668855778878 0.30331144221122 0.75000000000000 22.990 15 Sc 0.90091934248397 0.09908065751603 0.25000000000000 44.956 16 Sc 0.09908065751603 0.90091934248397 0.75000000000000 44.956 17 Ge 0.80403720439876 0.62010292125241 0.26230461781539 72.640 18 Ge 0.37989707874759 0.19596279560124 0.23769538218461 72.640 19 Ge 0.19596279560124 0.37989707874759 0.73769538218461 72.640 20 Ge 0.62010292125241 0.80403720439876 0.76230461781539 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.240763575225866 0.000000000000000 0.000000000000000 b 0.000000000000000 9.125044519999998 0.000000000000000 c -3.329443800370448 0.000000000000000 10.663925080244937 Atomic positions (fractional): 1 O 0.13934726840646 0.50794252651651 0.48960075489488 15.999 > 1 2 O 0.13934726840646 0.50794252651651 0.98960075489488 15.999 > 1 3 O 0.86065273159355 0.50794252651651 0.26039924510512 15.999 > 3 4 O 0.86065273159355 0.50794252651651 0.76039924510512 15.999 > 3 5 O 0.86065273159355 0.49205747348349 0.01039924510512 15.999 > 5 6 O 0.86065273159355 0.49205747348349 0.51039924510512 15.999 > 5 7 O 0.13934726840646 0.49205747348349 0.23960075489488 15.999 > 7 8 O 0.13934726840646 0.49205747348349 0.73960075489488 15.999 > 7 9 O 0.14212728967964 0.76472348434846 0.34640924240491 15.999 > 9 10 O 0.14212728967964 0.76472348434846 0.84640924240491 15.999 > 9 11 O 0.85787271032036 0.76472348434846 0.40359075759509 15.999 > 11 12 O 0.85787271032036 0.76472348434846 0.90359075759509 15.999 > 11 13 O 0.85787271032036 0.23527651565154 0.15359075759509 15.999 > 13 14 O 0.85787271032036 0.23527651565154 0.65359075759509 15.999 > 13 15 O 0.14212728967964 0.23527651565154 0.09640924240491 15.999 > 15 16 O 0.14212728967964 0.23527651565154 0.59640924240491 15.999 > 15 17 O 0.39116681001420 0.41852979237878 0.18150941103180 15.999 > 17 18 O 0.39116681001420 0.41852979237878 0.68150941103180 15.999 > 17 19 O 0.60883318998580 0.41852979237878 0.06849058896820 15.999 > 19 20 O 0.60883318998580 0.41852979237878 0.56849058896820 15.999 > 19 21 O 0.60883318998580 0.58147020762122 0.31849058896820 15.999 > 21 22 O 0.60883318998580 0.58147020762122 0.81849058896820 15.999 > 21 23 O 0.39116681001420 0.58147020762122 0.43150941103180 15.999 > 23 24 O 0.39116681001420 0.58147020762122 0.93150941103180 15.999 > 23 25 O 0.63934726840645 0.00794252651651 0.48960075489488 15.999 > 1 26 O 0.63934726840645 0.00794252651651 0.98960075489488 15.999 > 1 27 O 0.36065273159354 0.00794252651651 0.26039924510512 15.999 > 3 28 O 0.36065273159354 0.00794252651651 0.76039924510512 15.999 > 3 29 O 0.36065273159354 0.99205747348349 0.01039924510512 15.999 > 5 30 O 0.36065273159354 0.99205747348349 0.51039924510512 15.999 > 5 31 O 0.63934726840645 0.99205747348349 0.23960075489488 15.999 > 7 32 O 0.63934726840645 0.99205747348349 0.73960075489488 15.999 > 7 33 O 0.64212728967964 0.26472348434846 0.34640924240491 15.999 > 9 34 O 0.64212728967964 0.26472348434846 0.84640924240491 15.999 > 9 35 O 0.35787271032036 0.26472348434846 0.40359075759509 15.999 > 11 36 O 0.35787271032036 0.26472348434846 0.90359075759509 15.999 > 11 37 O 0.35787271032036 0.73527651565154 0.15359075759509 15.999 > 13 38 O 0.35787271032036 0.73527651565154 0.65359075759509 15.999 > 13 39 O 0.64212728967964 0.73527651565154 0.09640924240491 15.999 > 15 40 O 0.64212728967964 0.73527651565154 0.59640924240491 15.999 > 15 41 O 0.89116681001420 0.91852979237878 0.18150941103180 15.999 > 17 42 O 0.89116681001420 0.91852979237878 0.68150941103180 15.999 > 17 43 O 0.10883318998580 0.91852979237878 0.06849058896820 15.999 > 19 44 O 0.10883318998580 0.91852979237878 0.56849058896820 15.999 > 19 45 O 0.10883318998580 0.08147020762122 0.31849058896820 15.999 > 21 46 O 0.10883318998580 0.08147020762122 0.81849058896820 15.999 > 21 47 O 0.89116681001420 0.08147020762122 0.43150941103180 15.999 > 23 48 O 0.89116681001420 0.08147020762122 0.93150941103180 15.999 > 23 49 Na 0.00000000000000 0.69668855778878 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.69668855778878 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.30331144221122 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.30331144221122 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.19668855778878 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.19668855778878 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.80331144221122 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.80331144221122 0.87500000000000 22.990 > 51 57 Sc 0.00000000000000 0.09908065751603 0.12500000000000 44.956 > 57 58 Sc 0.00000000000000 0.09908065751603 0.62500000000000 44.956 > 57 59 Sc 0.00000000000000 0.90091934248397 0.37500000000000 44.956 > 59 60 Sc 0.00000000000000 0.90091934248397 0.87500000000000 44.956 > 59 61 Sc 0.50000000000000 0.59908065751603 0.12500000000000 44.956 > 57 62 Sc 0.50000000000000 0.59908065751603 0.62500000000000 44.956 > 57 63 Sc 0.50000000000000 0.40091934248397 0.37500000000000 44.956 > 59 64 Sc 0.50000000000000 0.40091934248397 0.87500000000000 44.956 > 59 65 Ge 0.21207006282558 0.40803285842683 0.13115230890770 72.640 > 65 66 Ge 0.21207006282558 0.40803285842683 0.63115230890770 72.640 > 65 67 Ge 0.78792993717441 0.40803285842683 0.11884769109230 72.640 > 67 68 Ge 0.78792993717441 0.40803285842683 0.61884769109230 72.640 > 67 69 Ge 0.78792993717441 0.59196714157317 0.36884769109230 72.640 > 69 70 Ge 0.78792993717441 0.59196714157317 0.86884769109230 72.640 > 69 71 Ge 0.21207006282558 0.59196714157317 0.38115230890770 72.640 > 71 72 Ge 0.21207006282558 0.59196714157317 0.88115230890770 72.640 > 71 73 Ge 0.71207006282559 0.90803285842683 0.13115230890770 72.640 > 65 74 Ge 0.71207006282559 0.90803285842683 0.63115230890770 72.640 > 65 75 Ge 0.28792993717442 0.90803285842683 0.11884769109230 72.640 > 67 76 Ge 0.28792993717442 0.90803285842683 0.61884769109230 72.640 > 67 77 Ge 0.28792993717442 0.09196714157317 0.36884769109230 72.640 > 69 78 Ge 0.28792993717442 0.09196714157317 0.86884769109230 72.640 > 69 79 Ge 0.71207006282559 0.09196714157317 0.38115230890770 72.640 > 71 80 Ge 0.71207006282559 0.09196714157317 0.88115230890770 72.640 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5794347 0.0000000 0.0377953 0.0000000 3.5206343 0.0000000 0.0377907 0.0000000 3.4634713 -------------------------- Born effective charges -------------------------- 1 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 2 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 3 O -1.4679594 -0.2863400 0.3376132 -0.2286455 -1.6553146 0.7236390 0.2826661 0.7828449 -2.4371773 4 O -1.4679594 0.2863400 0.3376132 0.2286455 -1.6553146 -0.7236390 0.2826661 -0.7828449 -2.4371773 5 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 6 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 7 O -2.1409693 1.0537131 0.0414493 1.0569897 -2.5944402 -0.0002087 -0.0318006 0.0770804 -1.3620281 8 O -2.1409693 -1.0537131 0.0414493 -1.0569897 -2.5944402 0.0002087 -0.0318006 -0.0770804 -1.3620281 9 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 10 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 11 O -2.3747033 -0.5284442 -0.3987721 -0.3808127 -1.7144183 0.3715143 -0.2983901 0.2204601 -2.1959711 12 O -2.3747033 0.5284442 -0.3987721 0.3808127 -1.7144183 -0.3715143 -0.2983901 -0.2204601 -2.1959711 13 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 14 Na 1.1366280 0.0000000 -0.0060627 0.0000000 1.1332801 0.0000000 0.0196843 0.0000000 1.1500794 15 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 16 Sc 4.2419133 0.0000000 0.0330465 0.0000000 3.8517339 0.0000000 0.0127679 0.0000000 3.5531141 17 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 18 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 19 Ge 3.2943615 0.6871212 0.0062178 0.1775812 3.4716661 0.0636529 0.0312986 0.0023540 3.6435799 20 Ge 3.2943615 -0.6871212 0.0062178 -0.1775812 3.4716661 -0.0636529 0.0312986 -0.0023540 3.6435799 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (yyy) 0.00000019 (yyy) 0.00000019 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 7 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 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 2.342 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.221 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.810 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.498 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 12.326 ( 0.000 0.000 0.000) 0.000 12.872 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.550 ( 0.000 0.000 0.000) 0.000 14.634 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 20.831 ( 0.000 0.000 0.000) 0.000 21.261 ( 0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 22.311 ( 0.000 0.000 0.000) 0.000 22.519 ( 0.000 0.000 0.000) 0.000 22.670 ( 0.000 0.000 0.000) 0.000 22.835 ( 0.000 0.000 0.000) 0.000 23.904 ( 0.000 0.000 0.000) 0.000 24.383 ( 0.000 0.000 0.000) 0.000 25.373 ( 0.000 0.000 0.000) 0.000 26.086 ( 0.000 0.000 0.000) 0.000 26.214 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 20.091 -19.680 23.610) 36.720 0.764 ( 21.413 -23.054 14.856) 34.795 1.327 ( 36.971 -41.361 18.460) 58.467 2.284 ( -5.990 -0.305 -0.892) 6.063 2.355 ( 1.376 -1.937 -0.689) 2.474 2.655 ( 2.784 -10.535 -4.785) 11.901 3.017 ( -1.853 -6.045 -1.073) 6.413 3.266 ( 1.195 -2.917 0.709) 3.231 3.799 ( -3.311 3.538 -11.571) 12.545 4.127 ( 10.946 -1.304 7.804) 13.506 4.339 ( -7.283 -11.845 -10.303) 17.306 4.756 ( 9.464 -5.619 11.137) 15.658 5.017 ( -0.185 11.019 -0.377) 11.027 5.175 ( 0.250 -3.119 -6.716) 7.409 5.241 ( -1.656 2.092 0.206) 2.676 5.499 ( -3.600 -13.145 4.185) 14.258 5.964 ( 3.309 13.807 -2.996) 14.510 6.051 ( 0.658 -0.888 -7.692) 7.771 6.133 ( 1.619 10.330 1.393) 10.549 6.240 ( 10.518 15.354 1.091) 18.643 6.315 ( 19.971 15.683 -9.779) 27.211 6.450 ( 6.399 -1.534 10.652) 12.521 6.735 ( 1.344 -7.459 -2.039) 7.849 7.306 ( -9.582 -2.960 1.757) 10.181 7.461 ( -3.482 0.405 -3.268) 4.793 7.581 ( 8.565 -5.727 0.468) 10.314 7.897 ( -0.951 2.980 -3.452) 4.659 8.091 ( -0.316 -7.749 0.314) 7.762 8.311 ( -4.677 -3.840 9.885) 11.591 8.709 ( 2.771 5.389 0.500) 6.080 8.822 ( 1.660 -1.538 3.634) 4.281 9.686 ( -11.369 -3.534 -0.195) 11.907 9.821 ( -7.396 -8.853 -6.636) 13.309 10.304 ( -3.789 11.116 31.111) 33.254 10.595 ( -7.749 -4.547 -1.555) 9.118 11.269 ( 9.173 7.673 -14.298) 18.640 11.473 ( -11.670 7.909 -29.872) 33.032 11.620 ( -8.476 -8.100 21.863) 24.808 12.081 ( -16.044 -24.269 -10.099) 30.796 12.320 ( -0.163 0.176 -0.054) 0.246 12.832 ( -0.938 3.938 -1.920) 4.480 13.080 ( 0.237 5.617 5.056) 7.561 13.394 ( 19.558 17.366 9.124) 27.701 14.097 ( -0.363 -4.245 -5.867) 7.251 14.504 ( -7.465 -7.274 -2.712) 10.770 14.616 ( -1.447 1.059 0.252) 1.811 15.236 ( -18.590 -14.100 -13.890) 27.154 15.528 ( 2.262 -7.743 -2.092) 8.333 21.247 ( 0.419 1.238 0.431) 1.376 21.511 ( 0.401 0.309 1.129) 1.237 21.913 ( 68.628 65.457 25.968) 98.330 22.351 ( 1.920 -3.130 -0.543) 3.712 22.519 ( 1.077 0.251 -2.429) 2.669 22.668 ( -0.937 -0.111 0.903) 1.306 22.881 ( 1.179 -4.905 0.283) 5.053 24.303 ( -5.881 -1.412 -1.612) 6.259 25.330 ( 0.297 4.834 -0.829) 4.914 26.120 ( 0.676 -5.391 0.033) 5.433 26.207 ( -4.606 -2.908 1.454) 5.638 26.485 ( -30.313 -33.226 -14.226) 47.172 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.29 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 17.135 -11.067 18.963) 27.851 1.436 ( 19.460 -19.780 11.766) 30.139 2.162 ( -9.015 -1.091 -3.640) 9.783 2.373 ( 18.471 -23.953 4.352) 30.560 2.519 ( 4.950 -15.405 10.281) 19.171 2.835 ( 2.281 -12.884 -6.853) 14.771 3.112 ( 0.813 -6.206 -2.105) 6.604 3.381 ( 1.954 -7.572 3.042) 8.391 3.620 ( -4.955 3.771 -8.053) 10.179 4.283 ( 5.895 1.705 4.106) 7.384 4.509 ( -0.544 -16.481 -4.160) 17.006 4.716 ( -2.804 20.324 1.575) 20.577 4.976 ( 8.590 0.603 3.914) 9.459 5.185 ( -0.448 -2.832 -7.824) 8.333 5.276 ( 3.598 -3.401 -0.467) 4.973 5.581 ( -6.106 -1.673 0.362) 6.341 5.853 ( 9.392 8.944 -4.495) 13.726 5.988 ( 3.089 9.980 -1.675) 10.581 6.021 ( -1.932 0.631 1.421) 2.480 6.196 ( 3.521 0.917 0.230) 3.645 6.343 ( 11.512 5.454 -6.088) 14.119 6.683 ( 12.993 -2.256 9.614) 16.320 6.815 ( 1.920 -1.451 0.303) 2.426 7.205 ( -3.335 2.192 -1.141) 4.151 7.352 ( -6.386 2.223 0.556) 6.784 7.773 ( -4.781 -7.316 -6.204) 10.718 7.901 ( 4.144 -7.910 1.816) 9.113 8.185 ( -1.854 -3.969 1.226) 4.549 8.377 ( -1.014 -1.086 0.760) 1.669 8.616 ( -1.558 0.420 -2.220) 2.744 8.934 ( 5.409 -2.063 7.146) 9.196 9.576 ( -7.956 -0.815 -2.933) 8.519 9.790 ( -6.291 1.852 10.446) 12.334 10.178 ( 2.511 13.551 5.720) 14.922 10.532 ( -8.038 -4.849 -6.981) 11.699 10.994 ( -15.912 11.951 -13.164) 23.860 11.257 ( 8.147 3.594 -7.668) 11.752 11.757 ( -1.640 -6.577 10.440) 12.448 12.140 ( -7.034 -7.296 -0.915) 10.176 12.343 ( -0.412 -4.644 -0.488) 4.688 12.719 ( -1.653 5.738 -3.910) 7.137 12.989 ( -1.981 6.826 5.163) 8.785 13.444 ( 7.119 4.599 5.578) 10.146 14.138 ( 2.005 -2.892 -7.226) 8.037 14.497 ( -4.478 -4.423 -3.828) 7.367 14.570 ( -2.145 1.506 0.540) 2.676 15.156 ( -8.375 -4.516 -3.179) 10.033 15.661 ( 3.569 -3.763 0.936) 5.270 21.236 ( -0.299 0.389 0.259) 0.554 21.516 ( 0.273 0.408 1.158) 1.258 21.967 ( 27.805 24.026 9.563) 37.971 22.437 ( 2.959 -2.985 -0.246) 4.211 22.522 ( 0.835 0.013 -1.341) 1.580 22.651 ( -1.807 0.219 0.292) 1.843 23.019 ( 2.063 -8.770 0.781) 9.043 24.205 ( -3.212 4.574 -1.104) 5.697 25.251 ( 0.554 4.721 -1.018) 4.862 26.182 ( -3.956 -2.501 0.553) 4.713 26.246 ( 1.859 -5.885 2.285) 6.581 26.514 ( -8.957 -11.083 -7.766) 16.229 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.43 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 11.519 -1.970 8.450) 14.421 1.964 ( -1.393 -11.403 11.879) 16.525 2.017 ( 3.344 -0.471 -9.344) 9.936 2.628 ( 1.805 -2.136 0.992) 2.967 2.806 ( -4.731 -4.113 0.209) 6.272 3.100 ( 6.966 -12.197 -5.249) 14.995 3.268 ( 3.168 -11.085 -4.462) 12.362 3.462 ( -0.146 5.823 8.070) 9.952 3.631 ( -1.366 -12.853 3.925) 13.508 4.149 ( -0.926 18.232 -4.218) 18.736 4.431 ( -0.201 6.164 2.211) 6.552 4.782 ( 1.740 -13.337 -0.020) 13.450 5.021 ( 2.934 5.243 -1.299) 6.147 5.238 ( 1.858 -3.748 -0.806) 4.260 5.346 ( 0.858 -0.794 -1.177) 1.659 5.482 ( -3.369 1.754 -3.163) 4.943 5.760 ( 1.471 6.784 -1.334) 7.069 5.885 ( 1.128 5.204 1.110) 5.439 6.111 ( 1.540 -5.795 3.005) 6.707 6.227 ( 0.534 2.232 -0.258) 2.310 6.411 ( 5.361 -1.359 -4.737) 7.281 6.840 ( 3.123 0.388 1.831) 3.641 6.885 ( 4.375 0.603 2.759) 5.207 7.153 ( -1.856 1.644 -1.208) 2.758 7.320 ( 2.873 -3.349 3.219) 5.462 7.788 ( -2.708 -8.988 -9.694) 13.494 7.961 ( -6.687 8.638 8.538) 13.864 8.193 ( 0.842 -2.896 -4.452) 5.378 8.297 ( -1.127 1.709 1.583) 2.588 8.720 ( 2.132 -6.201 -1.074) 6.645 9.068 ( 3.522 -2.122 4.226) 5.896 9.483 ( -3.495 -0.529 -4.350) 5.605 9.696 ( -4.421 5.135 12.841) 14.519 10.033 ( 2.438 7.159 -6.300) 9.843 10.503 ( -3.635 -5.764 -2.919) 7.413 10.627 ( -7.062 8.345 -2.967) 11.328 11.288 ( 3.235 0.734 -2.354) 4.068 11.847 ( -0.283 -2.480 3.128) 4.002 12.132 ( -2.035 -0.949 0.240) 2.258 12.443 ( -0.249 -7.366 1.581) 7.538 12.589 ( -0.183 6.770 -3.558) 7.650 12.890 ( -2.020 2.829 1.991) 4.006 13.483 ( 2.006 1.042 2.157) 3.125 14.172 ( 1.199 -1.086 -3.178) 3.566 14.488 ( -1.473 -1.387 -1.540) 2.543 14.527 ( -1.156 0.763 0.336) 1.425 15.115 ( -2.669 -1.179 -0.451) 2.953 15.740 ( 1.477 -1.206 0.597) 1.998 21.230 ( -0.149 0.053 0.117) 0.197 21.516 ( 0.060 0.188 0.440) 0.482 22.007 ( 8.241 6.638 2.629) 10.904 22.500 ( 1.345 -0.470 -0.172) 1.435 22.539 ( 1.350 -0.967 -0.002) 1.661 22.617 ( -1.869 0.492 -0.257) 1.950 23.172 ( 1.234 -5.420 0.451) 5.577 24.092 ( -1.341 3.739 -0.509) 4.005 25.202 ( 0.293 1.732 -0.445) 1.812 26.168 ( -1.695 -0.828 0.335) 1.916 26.366 ( 2.227 -3.041 2.329) 4.431 26.506 ( -3.253 -2.357 -4.085) 5.730 ======================= Grid point 8 (5/128) ======================= q-point: ( 0.14 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 23.283 -0.000 27.209) 35.811 1.109 ( 31.598 -0.000 12.380) 33.937 1.731 ( 39.550 -0.000 32.998) 51.508 2.180 ( -3.669 0.000 -7.213) 8.093 2.367 ( 0.006 -0.000 1.520) 1.520 2.555 ( 2.400 -0.000 -5.757) 6.237 2.962 ( 1.905 -0.000 -1.451) 2.395 3.256 ( 2.375 -0.000 -0.993) 2.574 3.827 ( 4.167 -0.000 -8.308) 9.294 4.096 ( -2.549 0.000 -11.248) 11.533 4.293 ( 9.154 -0.000 5.939) 10.912 4.945 ( 14.210 -0.000 8.555) 16.586 5.074 ( -2.364 0.000 -5.964) 6.415 5.150 ( 4.917 -0.000 -2.550) 5.539 5.286 ( 2.304 -0.000 0.254) 2.317 5.390 ( -0.971 0.000 3.170) 3.315 6.030 ( 1.920 -0.000 -7.937) 8.166 6.082 ( -2.647 0.000 9.422) 9.787 6.207 ( 2.935 -0.000 -9.426) 9.872 6.471 ( -0.324 0.000 -10.059) 10.065 6.508 ( 0.973 -0.000 7.640) 7.702 6.657 ( 14.002 -0.000 6.801) 15.566 6.800 ( 13.944 -0.000 -25.407) 28.983 7.136 ( -7.304 0.000 4.072) 8.362 7.383 ( -6.567 0.000 -1.542) 6.746 7.693 ( 10.649 -0.000 -1.553) 10.762 7.906 ( -8.127 0.000 -2.162) 8.409 8.020 ( 5.968 -0.000 0.662) 6.005 8.237 ( -9.519 0.000 16.293) 18.870 8.772 ( -2.375 0.000 0.347) 2.400 8.895 ( 4.879 -0.000 6.604) 8.210 9.400 ( -1.810 0.000 0.166) 1.818 9.750 ( -5.214 0.000 17.340) 18.107 10.397 ( -8.341 0.000 -10.461) 13.379 10.480 ( -2.611 0.000 17.828) 18.018 11.093 ( -18.030 0.000 0.793) 18.047 11.324 ( -0.940 0.000 -27.984) 27.999 11.628 ( 8.080 -0.000 -3.251) 8.710 11.920 ( 4.050 -0.000 0.243) 4.057 12.320 ( -0.512 0.000 0.165) 0.538 12.800 ( -4.300 0.000 -5.815) 7.232 13.232 ( 4.110 -0.000 15.862) 16.386 13.595 ( -21.108 0.000 -4.812) 21.649 13.904 ( 7.506 -0.000 -3.357) 8.223 14.464 ( 2.751 -0.000 5.926) 6.534 14.615 ( -0.226 0.000 -1.872) 1.886 14.935 ( 2.376 -0.000 -11.380) 11.626 15.593 ( 7.010 -0.000 2.931) 7.599 21.245 ( -0.889 0.000 0.166) 0.904 21.516 ( -0.063 0.000 1.004) 1.006 22.237 ( -3.949 0.000 -4.018) 5.634 22.524 ( -0.279 0.000 1.914) 1.934 22.655 ( -1.867 0.000 2.911) 3.458 22.820 ( -0.848 0.000 -0.346) 0.916 23.627 ( 3.222 -0.000 2.873) 4.317 23.921 ( 1.761 -0.000 -2.175) 2.798 25.056 ( -11.491 0.000 -4.359) 12.290 26.030 ( 18.328 -0.000 1.362) 18.378 26.093 ( 0.670 -0.000 -0.728) 0.989 26.247 ( 2.080 -0.000 0.353) 2.110 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.29 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 12.240 -10.014 17.434) 23.538 1.619 ( 23.525 -8.210 12.832) 28.026 1.984 ( -7.782 -2.854 0.916) 8.340 2.355 ( 7.241 -6.230 -0.963) 9.600 2.471 ( 5.557 -9.947 1.351) 11.473 2.747 ( 17.849 -3.605 8.867) 20.253 3.070 ( 6.502 -5.100 -0.908) 8.313 3.333 ( 6.339 -3.379 0.567) 7.205 3.731 ( 4.272 11.049 -4.989) 12.854 4.244 ( 4.786 -16.064 -4.793) 17.434 4.406 ( 4.419 0.863 2.179) 5.002 4.941 ( -3.256 11.502 0.129) 11.955 5.127 ( 2.681 0.596 -6.365) 6.932 5.198 ( 12.451 4.141 1.851) 13.251 5.303 ( 5.682 -1.341 -0.468) 5.857 5.459 ( -3.978 -5.246 1.837) 6.835 6.001 ( -0.629 1.987 -5.382) 5.771 6.069 ( -2.339 1.330 4.301) 5.073 6.147 ( 6.790 9.018 -4.200) 12.044 6.268 ( 0.955 8.790 -8.476) 12.249 6.605 ( 5.716 5.801 -2.726) 8.588 6.816 ( 7.933 0.733 -8.560) 11.693 6.889 ( 7.056 -0.671 10.353) 12.547 7.169 ( 4.669 -5.005 -0.658) 6.876 7.273 ( -7.182 -0.322 -0.651) 7.219 7.666 ( -7.039 6.136 -3.804) 10.083 7.907 ( 10.629 -4.540 0.641) 11.576 8.159 ( 3.466 -2.345 4.755) 6.335 8.304 ( 0.539 -9.195 6.852) 11.479 8.650 ( -3.740 9.015 0.107) 9.761 8.989 ( 3.027 -2.709 5.273) 6.656 9.408 ( -5.999 -3.646 -2.153) 7.343 9.781 ( -3.887 -0.779 19.350) 19.752 10.268 ( -9.401 -6.685 -15.157) 19.047 10.418 ( 1.052 11.045 -0.356) 11.101 10.815 ( -19.921 2.735 1.025) 20.134 11.202 ( -4.282 -2.611 -11.104) 12.184 11.757 ( 7.971 -3.646 -2.869) 9.223 12.014 ( 1.002 -5.160 1.166) 5.384 12.307 ( -1.012 -0.044 0.260) 1.046 12.711 ( -2.388 0.891 -6.805) 7.266 13.107 ( -10.172 11.090 1.058) 15.085 13.449 ( -7.243 -5.032 13.200) 15.876 14.054 ( 6.721 -5.472 -8.545) 12.171 14.501 ( 2.139 1.968 3.427) 4.494 14.593 ( 1.874 2.744 -0.584) 3.374 14.985 ( -0.464 -5.386 -2.090) 5.796 15.697 ( 4.703 -1.033 1.164) 4.954 21.234 ( -0.532 0.121 0.424) 0.691 21.516 ( -0.622 -0.085 0.778) 1.000 22.132 ( -8.006 1.854 -3.270) 8.845 22.528 ( 0.369 0.066 0.001) 0.374 22.626 ( -1.575 1.286 1.939) 2.810 22.862 ( 1.175 -4.867 1.203) 5.149 23.198 ( 17.372 34.907 2.862) 39.095 24.168 ( -1.636 -7.527 -1.539) 7.855 25.009 ( -14.499 -12.348 -4.435) 19.554 26.123 ( 1.073 -2.367 -1.192) 2.859 26.261 ( 7.318 -0.555 2.671) 7.810 26.363 ( 8.784 -5.643 -1.394) 10.533 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.43 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -11.903 -5.196 -2.647) 13.255 1.958 ( 8.180 -0.642 10.344) 13.203 2.168 ( 16.573 -10.547 5.181) 20.316 2.622 ( 5.728 -8.274 5.893) 11.662 2.661 ( -0.593 -6.307 -3.314) 7.149 2.891 ( 5.400 -6.926 -10.763) 13.892 3.212 ( 3.221 -2.146 -0.337) 3.885 3.540 ( 4.932 -2.540 7.864) 9.624 3.696 ( 11.553 5.690 5.652) 14.064 4.360 ( 0.439 7.867 -1.962) 8.120 4.539 ( -1.505 2.172 1.282) 2.937 4.677 ( 3.933 1.674 -0.986) 4.387 5.097 ( 1.310 -0.471 -5.704) 5.872 5.333 ( 10.067 2.412 0.328) 10.357 5.375 ( 0.859 3.068 -4.113) 5.202 5.426 ( -0.694 1.508 1.477) 2.221 5.898 ( -1.211 8.930 -2.207) 9.278 5.956 ( -4.337 3.828 -0.532) 5.809 6.105 ( 4.694 3.755 -0.856) 6.071 6.253 ( 1.649 -0.270 -1.625) 2.330 6.515 ( 2.760 6.757 -3.361) 8.035 6.858 ( -1.526 1.310 0.575) 2.092 6.924 ( -2.954 2.326 5.279) 6.481 7.193 ( 0.879 3.005 0.103) 3.132 7.411 ( 11.583 -3.079 2.544) 12.252 7.551 ( -2.079 -8.626 -12.309) 15.174 8.112 ( 5.935 6.157 4.980) 9.897 8.170 ( 1.588 0.472 -0.682) 1.792 8.373 ( 2.328 4.139 5.771) 7.473 8.647 ( 3.799 -9.147 3.640) 10.553 9.084 ( 0.530 -1.971 3.640) 4.173 9.355 ( -4.772 -3.294 -4.568) 7.382 9.796 ( -1.498 4.400 15.102) 15.801 10.065 ( -10.899 6.264 -16.441) 20.696 10.337 ( -0.352 -5.798 -1.085) 5.909 10.591 ( -8.387 0.183 3.186) 8.973 11.162 ( -6.977 -5.119 -3.882) 9.484 11.907 ( 8.369 -1.450 -5.044) 9.878 12.085 ( -1.405 -3.405 2.136) 4.258 12.331 ( -1.174 -5.923 0.871) 6.101 12.644 ( 0.292 3.057 -8.281) 8.832 12.856 ( -9.086 0.722 -2.171) 9.370 13.465 ( -6.312 -0.015 15.481) 16.719 14.160 ( 4.264 -1.940 -5.864) 7.506 14.502 ( 1.329 0.914 -1.266) 2.051 14.601 ( 6.153 3.779 2.533) 7.652 15.053 ( -0.168 -4.145 2.162) 4.678 15.755 ( 1.886 -0.163 -0.507) 1.960 21.232 ( 0.014 0.062 0.490) 0.494 21.507 ( -1.216 -0.202 -0.131) 1.240 21.929 ( -13.497 2.650 -2.582) 13.995 22.530 ( 0.695 0.115 -2.085) 2.201 22.608 ( -0.402 0.244 1.086) 1.183 22.926 ( 12.555 14.547 3.116) 19.467 23.096 ( 4.295 -1.230 1.025) 4.584 24.167 ( 1.297 4.602 -0.622) 4.822 24.968 ( -14.738 -11.564 -3.461) 19.051 26.169 ( 1.953 -1.482 -1.228) 2.742 26.355 ( 1.708 -2.461 0.693) 3.075 26.543 ( 11.004 0.437 1.133) 11.071 ======================= Grid point 11 (8/128) ======================= q-point: (-0.43 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -14.685 -0.774 -7.805) 16.649 2.115 ( 5.366 0.768 7.698) 9.415 2.272 ( 3.660 26.623 -7.983) 28.034 2.563 ( 0.964 -9.943 1.869) 10.163 2.883 ( 5.315 -4.607 2.744) 7.551 3.165 ( -1.247 7.205 -1.213) 7.412 3.250 ( 4.283 -18.010 -8.363) 20.314 3.530 ( 1.101 14.095 6.334) 15.492 3.825 ( 6.722 -2.444 5.951) 9.304 4.108 ( 0.315 17.077 -1.855) 17.180 4.344 ( -5.709 1.665 -1.236) 6.074 4.880 ( 3.148 -2.361 0.458) 3.961 5.095 ( 5.824 9.195 -0.369) 10.890 5.264 ( -0.043 1.364 -3.536) 3.790 5.366 ( -3.648 1.700 -1.170) 4.191 5.484 ( 6.568 -6.335 2.592) 9.486 5.707 ( -3.414 8.880 0.246) 9.517 5.849 ( -4.134 2.812 3.328) 6.005 6.136 ( 0.063 2.238 -5.733) 6.155 6.186 ( -2.897 1.050 -1.007) 3.242 6.455 ( -1.367 5.982 3.775) 7.204 6.740 ( -7.962 2.379 -0.688) 8.338 6.850 ( -2.754 2.411 0.145) 3.663 7.169 ( -0.927 1.523 0.833) 1.968 7.419 ( 4.709 7.700 -2.265) 9.306 7.791 ( 4.301 -9.967 -6.310) 12.556 8.043 ( 6.141 -2.931 2.661) 7.306 8.281 ( 8.297 4.354 0.641) 9.392 8.380 ( 3.740 6.306 6.862) 10.042 8.781 ( -0.676 1.479 4.411) 4.702 9.044 ( -3.597 4.947 -2.785) 6.720 9.415 ( 0.948 -12.352 -3.880) 12.982 9.702 ( 1.089 5.160 -8.305) 9.838 9.893 ( -7.360 -3.961 6.080) 10.335 10.518 ( 1.492 -11.077 3.570) 11.733 10.605 ( 3.995 -7.051 4.481) 9.260 11.110 ( -9.382 -3.962 -1.501) 10.294 11.930 ( 2.398 4.611 -6.388) 8.235 12.164 ( 4.288 -3.882 1.237) 5.915 12.461 ( 0.329 -9.826 0.908) 9.873 12.531 ( -2.403 3.199 -6.583) 7.703 12.832 ( 0.423 -4.521 -3.770) 5.901 13.398 ( -8.925 2.603 11.351) 14.672 14.183 ( 0.348 0.815 -0.635) 1.090 14.517 ( 2.320 -0.744 -2.578) 3.547 14.661 ( 8.949 4.421 4.698) 11.032 15.136 ( 1.642 -3.955 1.994) 4.724 15.753 ( 0.506 1.676 -0.888) 1.964 21.234 ( 0.250 0.202 0.205) 0.381 21.476 ( -5.023 -0.671 -2.761) 5.771 21.671 ( -16.072 1.017 -2.322) 16.271 22.525 ( 0.298 0.270 -1.777) 1.821 22.605 ( 0.315 0.807 0.248) 0.902 22.848 ( 10.897 16.354 2.943) 19.871 23.187 ( -0.523 -2.227 0.338) 2.312 24.120 ( 3.266 3.246 0.199) 4.609 24.951 ( -12.720 -12.681 -2.209) 18.096 26.213 ( 2.757 -0.546 -1.188) 3.051 26.372 ( -0.775 1.156 -0.864) 1.638 26.684 ( 11.113 2.405 3.980) 12.046 ======================= Grid point 12 (9/128) ======================= q-point: (-0.29 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -10.751 6.092 -8.346) 14.912 1.688 ( -4.249 33.028 -5.433) 33.741 2.273 ( 5.309 -1.359 1.399) 5.655 2.590 ( -0.932 17.873 3.009) 18.148 2.723 ( -3.987 22.731 -10.190) 25.228 2.984 ( -3.014 9.703 2.728) 10.521 3.279 ( 0.706 9.873 9.968) 14.047 3.391 ( -1.097 2.347 -7.521) 7.955 3.852 ( 10.515 10.330 5.841) 15.855 4.147 ( -3.943 -3.173 -3.739) 6.293 4.357 ( -1.758 -22.906 -1.339) 23.012 4.775 ( -1.877 11.928 -0.490) 12.085 5.005 ( 6.153 10.928 -0.129) 12.541 5.252 ( -1.195 3.558 4.113) 5.568 5.300 ( -2.505 3.012 -0.911) 4.023 5.593 ( -5.388 -5.933 -1.012) 8.078 5.728 ( 7.373 -6.766 6.156) 11.749 5.799 ( -3.600 -2.081 1.631) 4.467 6.000 ( -2.479 2.045 -4.112) 5.218 6.133 ( -7.632 -0.701 -4.193) 8.736 6.283 ( -2.989 12.052 3.464) 12.891 6.591 ( -4.778 4.302 -3.090) 7.134 6.804 ( -0.847 -0.138 -0.154) 0.872 7.173 ( 0.280 -3.994 0.370) 4.021 7.414 ( 4.427 1.262 -0.228) 4.609 7.858 ( -0.320 -1.703 0.368) 1.772 8.149 ( 4.701 19.736 -1.778) 20.365 8.310 ( 7.017 -0.049 3.093) 7.668 8.376 ( 2.083 -2.443 4.242) 5.320 8.654 ( -5.822 6.409 -0.214) 8.661 8.887 ( -2.323 4.639 -4.508) 6.873 9.649 ( 4.425 -4.415 0.892) 6.314 9.734 ( 4.107 -11.953 -4.487) 13.412 9.920 ( -4.247 -8.035 -2.727) 9.488 10.687 ( 6.102 -4.128 6.292) 9.688 10.941 ( -0.394 -12.996 6.763) 14.656 11.045 ( -2.946 -9.805 0.979) 10.284 11.822 ( -0.884 6.012 -6.928) 9.215 12.289 ( 5.338 -0.567 -0.597) 5.401 12.499 ( 5.660 -2.116 -2.261) 6.452 12.630 ( 2.879 -8.237 -0.572) 8.744 12.915 ( 2.291 -4.835 -3.585) 6.441 13.222 ( -14.603 4.512 5.984) 16.414 14.156 ( -1.157 1.679 1.494) 2.527 14.559 ( 1.705 -1.662 -1.281) 2.703 14.729 ( 8.093 6.130 5.249) 11.429 15.233 ( 1.341 -5.083 -0.455) 5.276 15.736 ( 3.460 2.996 1.571) 4.839 21.196 ( -11.225 1.632 -4.163) 12.083 21.289 ( -11.050 -1.325 -3.527) 11.674 21.541 ( -2.067 0.502 0.361) 2.157 22.518 ( 0.060 0.184 -0.881) 0.902 22.578 ( 1.015 4.689 0.195) 4.801 22.757 ( 4.718 10.097 1.907) 11.307 23.120 ( -1.753 7.194 -0.425) 7.416 24.183 ( 3.479 -3.844 0.674) 5.229 25.002 ( -7.780 -13.436 -1.013) 15.559 26.245 ( 2.112 0.623 -0.723) 2.318 26.305 ( -1.107 4.592 -0.824) 4.795 26.819 ( 10.389 1.688 4.504) 11.448 ======================= Grid point 13 (10/128) ======================= q-point: (-0.14 0.14 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.000 19.374 0.000) 19.374 1.104 ( -0.000 34.664 0.000) 34.664 1.840 ( -0.000 53.792 0.000) 53.792 2.342 ( 0.000 -0.583 -0.000) 0.583 2.451 ( -0.000 12.757 0.000) 12.757 2.816 ( -0.000 10.900 0.000) 10.900 3.173 ( -0.000 9.606 0.000) 9.606 3.296 ( -0.000 3.427 0.000) 3.427 3.944 ( -0.000 2.743 0.000) 2.743 3.981 ( -0.000 2.372 0.000) 2.372 4.588 ( -0.000 9.737 0.000) 9.737 4.763 ( 0.000 -22.427 -0.000) 22.427 4.837 ( -0.000 14.989 0.000) 14.989 5.208 ( -0.000 2.198 0.000) 2.198 5.225 ( 0.000 -0.745 -0.000) 0.745 5.716 ( 0.000 -10.987 -0.000) 10.987 5.809 ( 0.000 -4.264 -0.000) 4.264 5.840 ( -0.000 10.524 0.000) 10.524 6.026 ( 0.000 -7.610 -0.000) 7.610 6.048 ( 0.000 -8.460 -0.000) 8.460 6.128 ( -0.000 5.392 0.000) 5.392 6.469 ( -0.000 5.384 0.000) 5.384 6.796 ( -0.000 1.475 0.000) 1.475 7.285 ( 0.000 -8.341 -0.000) 8.341 7.461 ( 0.000 -2.457 -0.000) 2.457 7.805 ( -0.000 22.626 0.000) 22.626 7.885 ( 0.000 -0.284 -0.000) 0.284 8.231 ( -0.000 9.292 0.000) 9.292 8.445 ( -0.000 8.908 0.000) 8.908 8.583 ( 0.000 -7.972 -0.000) 7.972 8.821 ( -0.000 1.212 0.000) 1.212 9.716 ( 0.000 -2.079 -0.000) 2.079 9.942 ( 0.000 -4.883 -0.000) 4.883 10.047 ( 0.000 -14.677 -0.000) 14.677 10.754 ( -0.000 6.843 0.000) 6.843 11.018 ( 0.000 -13.853 -0.000) 13.853 11.402 ( 0.000 -19.681 -0.000) 19.681 11.685 ( -0.000 7.166 0.000) 7.166 12.313 ( 0.000 -0.128 -0.000) 0.128 12.720 ( 0.000 -9.596 -0.000) 9.596 12.822 ( 0.000 -7.906 -0.000) 7.906 12.865 ( -0.000 15.971 0.000) 15.971 13.001 ( 0.000 -4.680 -0.000) 4.680 14.123 ( -0.000 1.537 0.000) 1.537 14.594 ( 0.000 -1.350 -0.000) 1.350 14.699 ( -0.000 6.793 0.000) 6.793 15.324 ( 0.000 -5.267 -0.000) 5.267 15.767 ( -0.000 0.948 0.000) 0.948 20.919 ( -0.000 5.712 0.000) 5.712 21.266 ( 0.000 -0.726 -0.000) 0.726 21.522 ( -0.000 0.650 0.000) 0.650 22.475 ( -0.000 8.822 0.000) 8.822 22.515 ( 0.000 -0.046 -0.000) 0.046 22.694 ( -0.000 2.638 0.000) 2.638 22.976 ( -0.000 8.073 0.000) 8.073 24.289 ( 0.000 -5.185 -0.000) 5.185 25.149 ( 0.000 -12.119 -0.000) 12.119 26.205 ( -0.000 6.086 0.000) 6.086 26.245 ( -0.000 1.398 0.000) 1.398 26.932 ( 0.000 -1.587 -0.000) 1.587 ======================= Grid point 16 (11/128) ======================= q-point: ( 0.29 0.29 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -10.563 0.000 4.177) 11.359 1.823 ( 11.381 -0.000 5.602) 12.685 1.987 ( 5.926 -0.000 11.472) 12.912 2.358 ( 1.788 -0.000 -7.731) 7.935 2.394 ( 3.439 -0.000 1.966) 3.961 3.079 ( 11.818 -0.000 7.808) 14.164 3.285 ( 25.354 -0.000 7.040) 26.313 3.393 ( 6.151 -0.000 -0.552) 6.176 3.952 ( 7.862 -0.000 -0.625) 7.887 4.125 ( 9.374 -0.000 -5.278) 10.758 4.472 ( 1.798 -0.000 3.668) 4.085 4.967 ( -2.010 0.000 -2.950) 3.570 5.203 ( 1.843 -0.000 -5.824) 6.109 5.225 ( -9.314 0.000 -2.795) 9.725 5.395 ( 11.387 -0.000 -0.385) 11.394 5.525 ( 14.731 -0.000 5.741) 15.810 6.013 ( 2.080 -0.000 -8.832) 9.073 6.025 ( -7.184 0.000 2.772) 7.700 6.164 ( 0.348 -0.000 -1.649) 1.685 6.503 ( -4.292 0.000 5.152) 6.705 6.578 ( 14.852 -0.000 -14.496) 20.754 6.916 ( -8.721 0.000 9.844) 13.151 6.997 ( 11.594 -0.000 -15.237) 19.146 7.109 ( 0.777 -0.000 -3.707) 3.788 7.252 ( 3.843 -0.000 2.467) 4.567 7.600 ( -10.999 0.000 -1.172) 11.061 8.078 ( 16.255 -0.000 4.211) 16.792 8.243 ( 9.709 -0.000 0.602) 9.728 8.272 ( 1.993 -0.000 11.054) 11.233 8.741 ( 0.090 -0.000 4.731) 4.732 8.968 ( -2.786 0.000 5.570) 6.228 9.319 ( -4.011 0.000 -0.688) 4.069 9.833 ( -0.068 0.000 19.055) 19.056 9.971 ( -11.356 0.000 -22.536) 25.235 10.505 ( -0.973 0.000 -6.314) 6.389 10.575 ( -19.580 0.000 7.995) 21.150 11.080 ( -2.697 0.000 -10.428) 10.771 11.781 ( 4.199 -0.000 -3.802) 5.664 11.987 ( -1.160 0.000 2.731) 2.967 12.296 ( -0.918 0.000 -1.043) 1.389 12.663 ( -0.119 0.000 -6.541) 6.542 12.899 ( -20.391 0.000 -8.182) 21.971 13.463 ( -0.952 0.000 21.604) 21.625 14.105 ( 9.220 -0.000 -8.271) 12.387 14.525 ( -1.074 0.000 1.424) 1.784 14.693 ( 5.629 -0.000 4.026) 6.921 14.955 ( 1.893 -0.000 -0.074) 1.894 15.748 ( 3.248 -0.000 -0.462) 3.281 21.232 ( -0.176 0.000 0.696) 0.718 21.506 ( -1.212 0.000 0.561) 1.335 22.034 ( -7.367 0.000 -4.518) 8.642 22.532 ( 0.456 -0.000 -1.030) 1.127 22.628 ( -2.100 0.000 4.278) 4.766 22.789 ( -1.047 0.000 -0.335) 1.099 23.755 ( 3.929 -0.000 1.611) 4.247 23.950 ( 1.700 -0.000 -3.048) 3.489 24.755 ( -7.409 0.000 -2.997) 7.992 26.106 ( 0.658 -0.000 -0.820) 1.051 26.319 ( 2.545 -0.000 0.383) 2.573 26.544 ( 16.363 -0.000 1.345) 16.419 ======================= Grid point 17 (12/128) ======================= q-point: ( 0.43 0.29 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -16.495 -7.342 -3.326) 18.359 2.050 ( 1.650 -13.450 2.571) 13.792 2.125 ( 7.723 -0.092 7.280) 10.614 2.450 ( 2.113 -13.147 -1.470) 13.396 2.575 ( 6.678 -10.163 0.485) 12.170 3.164 ( 7.740 14.924 1.605) 16.889 3.330 ( 8.412 7.512 -1.952) 11.445 3.613 ( 6.562 -2.109 3.388) 7.680 4.011 ( 12.610 7.105 4.905) 15.282 4.409 ( 5.026 -8.004 3.475) 10.069 4.496 ( 4.377 -2.006 -1.354) 5.002 4.844 ( -3.158 12.338 -0.257) 12.738 5.051 ( -1.989 -1.698 -5.755) 6.322 5.228 ( -3.715 -3.592 -5.991) 7.911 5.531 ( 6.481 2.301 3.008) 7.507 5.701 ( 14.651 10.124 2.475) 17.980 5.900 ( -6.809 1.000 -2.894) 7.466 5.953 ( 0.522 3.257 -3.143) 4.556 6.260 ( 3.991 -3.264 1.252) 5.306 6.338 ( 2.158 13.343 -1.019) 13.555 6.560 ( -6.926 7.420 -2.583) 10.474 6.899 ( 0.681 -2.870 -1.247) 3.202 6.972 ( 0.033 9.251 1.299) 9.342 7.224 ( 6.349 -6.176 -3.312) 9.456 7.339 ( 0.032 -5.321 -10.126) 11.439 7.477 ( -0.635 -4.620 3.993) 6.139 8.258 ( -2.174 10.975 4.508) 12.062 8.339 ( 13.941 -1.903 1.530) 14.153 8.462 ( 10.092 -5.617 1.339) 11.627 8.687 ( 5.459 6.242 10.339) 13.253 9.018 ( -4.158 -5.607 4.616) 8.369 9.265 ( -3.141 -0.803 -0.156) 3.246 9.767 ( -13.623 -5.761 -16.279) 21.994 9.927 ( 3.283 1.446 10.386) 10.988 10.317 ( -7.064 4.922 -0.662) 8.635 10.431 ( -9.729 -2.989 0.240) 10.181 11.035 ( -0.951 -1.041 -5.599) 5.773 11.888 ( 3.120 -8.284 -3.760) 9.617 11.987 ( -4.844 -4.452 1.828) 6.828 12.270 ( -0.943 0.380 -0.659) 1.212 12.606 ( -7.782 2.192 -6.876) 10.613 12.696 ( -1.662 -3.793 -4.767) 6.315 13.504 ( -3.340 2.338 17.701) 18.165 14.185 ( 5.199 -0.456 -6.034) 7.978 14.513 ( -0.099 0.165 -0.642) 0.670 14.775 ( 7.409 2.522 3.635) 8.630 15.007 ( 0.413 -3.000 2.516) 3.937 15.777 ( 1.677 0.191 -1.442) 2.220 21.236 ( 0.231 -0.034 0.712) 0.749 21.485 ( -1.647 0.355 -0.161) 1.693 21.844 ( -8.867 7.367 -3.161) 11.953 22.531 ( 0.307 0.106 -1.395) 1.432 22.614 ( -0.559 0.405 2.070) 2.182 22.872 ( -0.389 -10.533 0.701) 10.564 23.524 ( 6.528 22.458 0.547) 23.394 24.164 ( 1.467 -10.965 -0.990) 11.107 24.648 ( -8.728 -0.807 -2.598) 9.142 26.139 ( 0.641 -3.147 -0.791) 3.308 26.358 ( 1.758 -0.665 0.289) 1.902 26.742 ( 12.167 1.178 1.234) 12.286 ======================= Grid point 18 (13/128) ======================= q-point: (-0.43 0.29 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -10.742 -5.465 -4.172) 12.754 2.204 ( 3.929 -1.473 4.017) 5.809 2.313 ( -3.180 -11.625 -1.990) 12.216 2.686 ( 3.426 0.176 -0.829) 3.530 2.826 ( 2.927 -10.688 5.866) 12.538 3.018 ( 6.098 -1.768 -6.822) 9.319 3.292 ( 1.830 7.735 -0.422) 7.960 3.742 ( 5.688 -1.156 6.794) 8.936 3.983 ( 3.332 13.754 -2.258) 14.331 4.368 ( 0.261 9.257 3.898) 10.047 4.419 ( -2.980 18.508 -1.543) 18.810 4.881 ( 6.669 -10.984 0.186) 12.851 5.069 ( -1.906 -2.842 -4.349) 5.534 5.239 ( -1.967 -6.546 -2.414) 7.249 5.519 ( 6.004 13.968 3.507) 15.603 5.591 ( 3.994 9.485 -0.679) 10.314 5.784 ( -6.265 3.447 -4.422) 8.407 5.908 ( 0.012 10.698 5.237) 11.911 6.164 ( -0.286 3.643 -2.434) 4.390 6.223 ( -2.361 8.352 0.106) 8.680 6.502 ( 3.066 -2.990 -3.010) 5.234 6.752 ( -7.285 11.313 5.148) 14.407 6.877 ( -0.101 4.153 -0.722) 4.217 7.187 ( -1.957 3.851 -1.344) 4.524 7.564 ( 7.971 -7.296 -4.580) 11.736 7.673 ( 4.670 -7.613 -2.592) 9.300 8.009 ( -5.328 3.526 4.659) 7.907 8.507 ( 11.252 3.448 -3.668) 12.327 8.577 ( 3.199 5.264 4.433) 7.589 8.817 ( 4.279 0.107 6.613) 7.877 9.079 ( 0.805 -4.746 1.783) 5.133 9.213 ( -4.375 -0.601 -2.214) 4.941 9.612 ( -9.426 -5.087 -8.084) 13.419 9.903 ( 0.937 7.650 4.777) 9.068 10.337 ( -0.941 -11.550 0.342) 11.593 10.456 ( -2.817 -13.232 2.741) 13.803 11.008 ( -1.140 0.753 -3.002) 3.298 11.952 ( -2.322 -0.595 -2.566) 3.511 12.101 ( 2.222 -10.880 -0.356) 11.111 12.303 ( -0.857 -7.784 0.608) 7.854 12.453 ( -5.384 2.034 -3.758) 6.874 12.766 ( 2.454 -4.841 -3.782) 6.615 13.449 ( -3.447 6.337 10.047) 12.369 14.205 ( 1.132 1.114 -1.787) 2.391 14.519 ( 0.772 -0.764 -1.163) 1.591 14.867 ( 8.751 2.347 3.095) 9.574 15.061 ( -2.522 -4.502 1.072) 5.271 15.782 ( 1.055 0.601 -0.817) 1.464 21.243 ( 0.327 0.040 0.347) 0.479 21.410 ( -5.096 5.731 -2.051) 7.939 21.601 ( -4.880 5.790 -0.553) 7.593 22.526 ( 0.028 0.247 -0.720) 0.762 22.616 ( 0.206 0.070 0.467) 0.515 23.055 ( 0.682 -10.165 0.455) 10.198 23.286 ( 4.375 18.862 0.745) 19.377 24.267 ( 5.679 5.320 0.457) 7.795 24.563 ( -11.109 -11.223 -2.238) 15.950 26.201 ( 0.773 -3.434 -0.607) 3.572 26.378 ( 0.301 0.375 0.006) 0.481 26.859 ( 7.008 1.535 1.359) 7.302 ======================= Grid point 19 (14/128) ======================= q-point: (-0.29 0.29 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 -0.071 -0.000) 0.071 2.133 ( -0.000 25.520 0.000) 25.520 2.281 ( 0.000 -2.090 -0.000) 2.090 2.706 ( 0.000 -2.885 -0.000) 2.885 2.935 ( -0.000 4.099 0.000) 4.099 3.135 ( -0.000 10.209 0.000) 10.209 3.278 ( 0.000 -12.127 -0.000) 12.127 3.619 ( -0.000 25.297 0.000) 25.297 3.960 ( 0.000 -16.656 -0.000) 16.656 4.132 ( -0.000 12.735 0.000) 12.735 4.204 ( -0.000 11.723 0.000) 11.723 4.914 ( -0.000 8.618 0.000) 8.618 5.212 ( 0.000 -12.826 -0.000) 12.826 5.255 ( -0.000 3.483 0.000) 3.483 5.352 ( -0.000 12.640 0.000) 12.640 5.512 ( -0.000 7.707 0.000) 7.707 5.698 ( 0.000 -5.991 -0.000) 5.991 5.783 ( -0.000 3.381 0.000) 3.381 6.057 ( -0.000 8.697 0.000) 8.697 6.114 ( -0.000 4.240 0.000) 4.240 6.489 ( -0.000 13.613 0.000) 13.613 6.586 ( 0.000 -1.021 -0.000) 1.021 6.809 ( -0.000 2.684 0.000) 2.684 7.137 ( -0.000 0.045 0.000) 0.045 7.532 ( -0.000 9.944 0.000) 9.944 7.782 ( 0.000 -7.189 -0.000) 7.189 8.188 ( 0.000 -16.361 -0.000) 16.361 8.463 ( -0.000 12.863 0.000) 12.863 8.505 ( -0.000 7.212 0.000) 7.212 8.719 ( -0.000 10.314 0.000) 10.314 8.989 ( -0.000 10.281 0.000) 10.281 9.425 ( 0.000 -22.028 -0.000) 22.028 9.632 ( 0.000 -5.004 -0.000) 5.004 9.844 ( -0.000 0.963 0.000) 0.963 10.541 ( 0.000 -15.192 -0.000) 15.192 10.744 ( 0.000 -19.627 -0.000) 19.627 10.954 ( -0.000 3.129 0.000) 3.129 11.888 ( -0.000 4.986 0.000) 4.986 12.324 ( 0.000 -13.785 -0.000) 13.785 12.356 ( -0.000 2.889 0.000) 2.889 12.478 ( 0.000 -12.972 -0.000) 12.972 12.857 ( 0.000 -4.938 -0.000) 4.938 13.304 ( -0.000 11.032 0.000) 11.032 14.181 ( -0.000 1.917 0.000) 1.917 14.542 ( 0.000 -1.527 -0.000) 1.527 14.901 ( -0.000 5.046 0.000) 5.046 15.121 ( 0.000 -7.038 -0.000) 7.038 15.785 ( -0.000 0.291 0.000) 0.291 21.189 ( -0.000 11.127 0.000) 11.127 21.249 ( 0.000 -0.282 -0.000) 0.282 21.539 ( -0.000 0.767 0.000) 0.767 22.520 ( -0.000 0.280 0.000) 0.280 22.614 ( -0.000 0.680 0.000) 0.680 23.032 ( -0.000 17.294 0.000) 17.294 23.162 ( 0.000 -1.165 -0.000) 1.165 24.207 ( -0.000 3.943 0.000) 3.943 24.705 ( 0.000 -15.587 -0.000) 15.587 26.249 ( 0.000 -1.794 -0.000) 1.794 26.354 ( -0.000 2.729 0.000) 2.729 26.901 ( -0.000 0.144 0.000) 0.144 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.43 0.43 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -12.608 0.000 -2.418) 12.838 1.944 ( 0.046 -0.000 0.670) 0.672 2.238 ( 3.150 -0.000 5.467) 6.310 2.354 ( 1.191 -0.000 -3.130) 3.349 2.573 ( 4.860 -0.000 0.699) 4.910 3.390 ( 6.517 -0.000 3.051) 7.195 3.482 ( 0.682 -0.000 0.168) 0.703 3.691 ( 4.772 -0.000 -1.270) 4.938 4.220 ( 5.059 -0.000 0.393) 5.075 4.385 ( 6.682 -0.000 -0.962) 6.751 4.599 ( 5.247 -0.000 9.849) 11.159 4.896 ( -8.949 0.000 -6.775) 11.224 4.960 ( 2.604 -0.000 1.514) 3.012 5.143 ( -1.485 0.000 -5.978) 6.160 5.646 ( 3.825 -0.000 3.953) 5.501 5.798 ( -5.686 0.000 -4.373) 7.173 5.980 ( 5.655 -0.000 1.222) 5.786 6.041 ( 13.014 -0.000 -5.506) 14.131 6.299 ( 4.476 -0.000 4.178) 6.123 6.384 ( -6.830 0.000 5.055) 8.498 6.571 ( -14.694 0.000 2.886) 14.974 6.892 ( 15.259 -0.000 -12.563) 19.765 7.090 ( 0.758 -0.000 -6.339) 6.384 7.187 ( 4.438 -0.000 -1.047) 4.560 7.296 ( -2.315 0.000 1.044) 2.539 7.352 ( -6.730 0.000 3.260) 7.479 8.404 ( 1.668 -0.000 2.645) 3.127 8.412 ( 4.915 -0.000 3.648) 6.121 8.633 ( 14.619 -0.000 -4.265) 15.228 8.896 ( 1.125 -0.000 11.876) 11.930 8.915 ( -3.709 0.000 6.384) 7.383 9.179 ( -1.822 0.000 -0.871) 2.019 9.478 ( -9.468 0.000 -15.412) 18.088 10.051 ( 5.425 -0.000 11.341) 12.571 10.197 ( -9.906 0.000 3.441) 10.486 10.310 ( -6.106 0.000 -9.543) 11.329 11.018 ( 0.994 -0.000 -3.058) 3.216 11.811 ( 0.430 -0.000 -1.356) 1.422 11.864 ( -5.962 0.000 -0.001) 5.962 12.276 ( 0.388 -0.000 -0.904) 0.984 12.503 ( -4.908 0.000 -1.967) 5.287 12.664 ( 2.086 -0.000 -3.707) 4.254 13.549 ( -2.256 0.000 10.472) 10.712 14.219 ( 2.761 -0.000 -3.570) 4.513 14.508 ( -0.077 0.000 -0.614) 0.619 14.885 ( 4.029 -0.000 2.579) 4.784 15.003 ( 0.580 -0.000 1.655) 1.753 15.791 ( 0.860 -0.000 -1.272) 1.535 21.243 ( 0.285 -0.000 0.545) 0.615 21.471 ( -0.987 0.000 -0.075) 0.990 21.818 ( -4.318 0.000 -2.129) 4.814 22.530 ( 0.160 -0.000 -0.890) 0.904 22.618 ( -0.682 0.000 2.008) 2.121 22.763 ( -0.521 0.000 -0.119) 0.535 23.846 ( 1.604 -0.000 0.566) 1.701 23.960 ( 0.574 -0.000 -1.491) 1.598 24.600 ( -2.425 0.000 -1.022) 2.632 26.113 ( 0.222 -0.000 -0.339) 0.405 26.376 ( 1.106 -0.000 0.157) 1.117 26.891 ( 6.745 -0.000 0.538) 6.766 ======================= Grid point 25 (16/128) ======================= q-point: (-0.43 0.43 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -8.385 -0.000) 8.385 2.058 ( 0.000 -12.949 -0.000) 12.949 2.257 ( -0.000 1.033 0.000) 1.033 2.475 ( 0.000 -14.656 -0.000) 14.656 2.696 ( 0.000 -9.675 -0.000) 9.675 3.289 ( -0.000 18.318 0.000) 18.318 3.421 ( -0.000 6.458 0.000) 6.458 3.743 ( 0.000 -3.196 -0.000) 3.196 4.192 ( -0.000 7.770 0.000) 7.770 4.530 ( 0.000 -3.939 -0.000) 3.939 4.593 ( -0.000 11.015 0.000) 11.015 4.737 ( 0.000 -0.793 -0.000) 0.793 5.082 ( 0.000 -8.456 -0.000) 8.456 5.097 ( -0.000 1.887 0.000) 1.887 5.676 ( -0.000 1.885 0.000) 1.885 5.708 ( -0.000 2.994 0.000) 2.994 5.912 ( -0.000 13.606 0.000) 13.606 6.158 ( -0.000 2.303 0.000) 2.303 6.166 ( -0.000 14.138 0.000) 14.138 6.329 ( -0.000 5.171 0.000) 5.171 6.456 ( 0.000 -3.135 -0.000) 3.135 6.906 ( -0.000 12.542 0.000) 12.542 6.957 ( -0.000 5.051 0.000) 5.051 7.227 ( -0.000 3.295 0.000) 3.295 7.408 ( 0.000 -13.856 -0.000) 13.856 7.481 ( 0.000 -18.363 -0.000) 18.363 8.209 ( -0.000 19.857 0.000) 19.857 8.546 ( 0.000 -6.721 -0.000) 6.721 8.697 ( -0.000 5.788 0.000) 5.788 8.919 ( 0.000 -0.332 -0.000) 0.332 8.925 ( 0.000 -5.041 -0.000) 5.041 9.300 ( -0.000 5.971 0.000) 5.971 9.338 ( 0.000 -12.792 -0.000) 12.792 10.092 ( -0.000 11.144 0.000) 11.144 10.182 ( 0.000 -6.033 -0.000) 6.033 10.237 ( 0.000 -9.438 -0.000) 9.438 11.014 ( -0.000 0.692 0.000) 0.692 11.859 ( 0.000 -4.995 -0.000) 4.995 11.917 ( 0.000 -11.650 -0.000) 11.650 12.261 ( -0.000 1.173 0.000) 1.173 12.450 ( -0.000 2.103 0.000) 2.103 12.704 ( 0.000 -3.846 -0.000) 3.846 13.529 ( -0.000 3.414 0.000) 3.414 14.225 ( -0.000 0.677 0.000) 0.677 14.510 ( 0.000 -0.478 -0.000) 0.478 14.946 ( 0.000 -3.208 -0.000) 3.208 15.000 ( -0.000 1.407 0.000) 1.407 15.792 ( -0.000 0.158 0.000) 0.158 21.246 ( -0.000 0.013 0.000) 0.013 21.450 ( -0.000 2.200 0.000) 2.200 21.691 ( -0.000 9.526 0.000) 9.526 22.528 ( -0.000 0.193 0.000) 0.193 22.618 ( 0.000 -0.050 -0.000) 0.050 22.867 ( 0.000 -11.850 -0.000) 11.850 23.614 ( -0.000 18.665 0.000) 18.665 24.192 ( 0.000 -17.003 -0.000) 17.003 24.504 ( -0.000 9.159 0.000) 9.159 26.144 ( 0.000 -3.477 -0.000) 3.477 26.385 ( 0.000 -0.010 -0.000) 0.010 26.931 ( -0.000 1.023 0.000) 1.023 ======================= Grid point 49 (17/128) ======================= q-point: ( 0.00 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 9.863 -0.000 28.992) 30.624 0.675 ( 26.111 -0.000 32.563) 41.739 1.368 ( 13.315 -0.000 61.962) 63.376 2.392 ( 0.000 -0.000 3.935) 3.935 2.712 ( -7.948 0.000 29.811) 30.853 2.801 ( -16.937 0.000 26.346) 31.320 3.050 ( -4.768 0.000 5.757) 7.475 3.260 ( -0.949 0.000 1.877) 2.103 3.775 ( -12.498 0.000 -4.962) 13.447 4.140 ( 7.352 -0.000 9.609) 12.099 4.146 ( -13.102 0.000 -15.514) 20.307 4.591 ( 12.241 -0.000 1.243) 12.304 5.133 ( -2.461 0.000 -1.050) 2.676 5.168 ( -2.077 0.000 -11.035) 11.229 5.236 ( -1.780 0.000 -3.175) 3.640 5.501 ( 2.627 -0.000 4.551) 5.255 5.800 ( -4.764 0.000 -2.711) 5.481 5.919 ( 8.099 -0.000 -9.956) 12.834 5.948 ( -0.070 0.000 -4.176) 4.177 6.330 ( -3.944 0.000 3.301) 5.143 6.394 ( 7.942 -0.000 4.236) 9.001 6.520 ( 0.791 -0.000 -0.655) 1.027 6.708 ( -11.010 0.000 5.123) 12.144 7.230 ( 7.941 -0.000 -8.321) 11.503 7.383 ( 3.878 -0.000 -9.133) 9.922 7.461 ( -5.797 0.000 1.112) 5.902 7.976 ( -0.060 0.000 2.928) 2.929 8.027 ( -1.371 0.000 -0.922) 1.652 8.662 ( -1.924 0.000 -1.915) 2.714 8.856 ( 5.806 -0.000 2.671) 6.391 8.866 ( -1.857 0.000 3.560) 4.015 9.389 ( 1.262 -0.000 -3.061) 3.311 9.734 ( 10.609 -0.000 -2.234) 10.842 10.478 ( 21.742 -0.000 8.499) 23.344 10.573 ( -8.581 0.000 -1.156) 8.659 10.949 ( 9.792 -0.000 -21.912) 24.001 11.761 ( 4.738 -0.000 -6.103) 7.726 11.842 ( -10.316 0.000 13.677) 17.131 12.254 ( -11.837 0.000 -5.374) 13.000 12.703 ( 3.918 -0.000 -13.659) 14.210 12.894 ( -40.995 0.000 11.209) 42.500 13.116 ( 6.563 -0.000 1.038) 6.645 13.912 ( -1.010 0.000 8.539) 8.599 14.394 ( 26.747 -0.000 -1.095) 26.770 14.406 ( 3.636 -0.000 2.019) 4.158 14.636 ( -71.834 0.000 -6.875) 72.162 14.671 ( -2.732 0.000 3.347) 4.320 15.436 ( 5.231 -0.000 1.066) 5.339 21.026 ( 46.767 -0.000 0.202) 46.767 21.246 ( 0.424 -0.000 -1.377) 1.441 21.546 ( -0.102 0.000 3.498) 3.500 22.297 ( 0.376 -0.000 -1.368) 1.419 22.706 ( 1.222 -0.000 3.121) 3.352 22.835 ( -0.359 0.000 0.009) 0.359 23.909 ( -1.895 0.000 0.596) 1.987 24.398 ( -19.379 0.000 4.687) 19.937 25.163 ( 22.461 -0.000 -10.384) 24.745 25.546 ( -12.029 0.000 7.732) 14.300 26.078 ( -0.286 0.000 -0.706) 0.762 26.189 ( 0.968 -0.000 -2.500) 2.681 ======================= Grid point 50 (18/128) ======================= q-point: ( 0.14 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 18.183 -16.406 22.383) 33.178 1.386 ( 22.834 -19.731 26.171) 39.945 2.029 ( 22.209 -11.318 44.771) 51.243 2.457 ( 1.430 -6.236 7.950) 10.205 2.667 ( -18.536 -0.534 33.954) 38.687 2.786 ( -7.024 -5.328 16.350) 18.576 3.028 ( -2.326 -4.784 2.526) 5.889 3.294 ( -1.360 -5.877 1.622) 6.247 3.595 ( -4.719 4.878 -5.747) 8.893 4.112 ( -3.651 -17.636 -10.256) 20.726 4.297 ( 7.421 -0.211 8.000) 10.914 4.801 ( 10.346 -2.747 -6.502) 12.524 4.996 ( -1.149 7.046 -5.368) 8.932 5.095 ( -1.500 1.640 1.691) 2.792 5.177 ( -0.190 0.556 -6.613) 6.639 5.545 ( -2.652 -6.306 0.154) 6.843 5.758 ( 6.321 8.314 -9.951) 14.425 5.970 ( 0.725 -2.467 0.148) 2.576 6.070 ( 15.480 3.033 -6.299) 16.986 6.259 ( -2.433 2.695 -0.156) 3.634 6.349 ( -2.536 14.073 8.097) 16.433 6.649 ( 10.527 -2.407 5.809) 12.263 6.664 ( 0.002 -6.855 -2.255) 7.216 7.243 ( -3.196 -3.093 -9.622) 10.600 7.334 ( -1.842 2.943 -4.047) 5.332 7.598 ( 8.315 -10.722 0.849) 13.595 7.872 ( -6.227 6.928 -0.524) 9.330 8.101 ( 2.295 -6.808 0.297) 7.191 8.528 ( -6.341 4.890 6.597) 10.375 8.718 ( 1.205 11.457 0.652) 11.539 8.934 ( 2.960 -2.973 4.488) 6.144 9.498 ( -2.815 -7.017 -8.764) 11.574 9.840 ( 8.183 2.491 1.194) 8.637 10.434 ( -14.585 -6.019 -12.753) 20.288 10.642 ( 7.130 10.832 5.165) 13.959 11.028 ( 6.881 0.038 -10.922) 12.909 11.346 ( -19.756 20.090 12.021) 30.633 11.825 ( 2.543 1.253 -2.636) 3.871 12.115 ( -23.817 -20.281 1.177) 31.304 12.470 ( -13.664 2.349 12.152) 18.437 12.682 ( -5.383 -1.354 -7.413) 9.261 13.183 ( 5.551 7.092 4.796) 10.204 13.698 ( 2.303 15.494 15.537) 22.063 14.027 ( -11.411 -3.590 -2.427) 12.206 14.445 ( 0.364 -2.197 -0.145) 2.231 14.626 ( -0.588 0.620 0.688) 1.096 14.950 ( -4.114 -20.293 -8.926) 22.548 15.538 ( 6.888 -1.556 0.276) 7.067 21.235 ( 0.609 0.888 -1.358) 1.733 21.552 ( 20.026 4.890 -9.277) 22.605 21.569 ( 17.331 4.177 -5.544) 18.670 22.336 ( 3.818 -1.470 -1.580) 4.386 22.706 ( 0.335 2.640 2.376) 3.568 22.880 ( -0.548 -5.170 1.599) 5.440 23.261 ( -4.737 35.685 28.149) 45.697 24.321 ( -8.677 -3.705 3.426) 10.038 25.361 ( 0.441 5.562 3.160) 6.412 25.905 ( -1.643 -35.984 -24.879) 43.778 26.118 ( 0.181 -5.001 -0.908) 5.086 26.209 ( 2.306 -1.231 -2.735) 3.783 ======================= Grid point 51 (19/128) ======================= q-point: ( 0.29 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 16.847 -15.388 16.352) 28.071 1.984 ( 6.193 -10.355 33.968) 36.047 2.438 ( 6.200 -8.088 10.003) 14.280 2.485 ( -14.593 -1.476 18.801) 23.846 2.763 ( -6.561 -9.959 16.681) 20.505 2.858 ( -1.450 -1.126 3.192) 3.682 3.171 ( 4.476 -7.112 10.072) 13.117 3.453 ( 3.072 -11.902 4.973) 13.260 3.530 ( 2.632 -2.606 1.253) 3.910 4.319 ( 0.425 3.047 -3.105) 4.371 4.437 ( 3.160 -19.712 0.695) 19.976 4.697 ( 0.162 16.092 -1.356) 16.150 4.985 ( 1.373 -3.337 -9.973) 10.606 5.094 ( 4.533 -0.574 4.298) 6.273 5.245 ( 4.327 -4.474 -2.033) 6.547 5.474 ( -4.447 4.085 -8.307) 10.270 5.778 ( 7.331 3.534 -0.938) 8.192 6.019 ( -1.990 -2.918 2.817) 4.518 6.105 ( -1.877 5.328 2.070) 6.016 6.184 ( 9.014 1.329 -2.580) 9.470 6.252 ( 2.373 3.161 1.401) 4.194 6.746 ( 3.989 -3.691 -4.667) 7.164 6.881 ( 13.477 1.317 7.016) 15.251 7.186 ( -4.089 1.731 -0.153) 4.443 7.283 ( -0.614 -3.678 -7.459) 8.340 7.662 ( -9.320 2.479 -3.770) 10.355 7.894 ( 7.393 -10.960 -1.505) 13.306 8.251 ( 2.446 -5.023 3.085) 6.382 8.393 ( -5.259 8.908 -0.520) 10.357 8.605 ( 2.338 1.705 2.145) 3.602 9.053 ( 3.818 -3.037 3.027) 5.741 9.431 ( -5.485 1.580 -7.784) 9.652 9.925 ( 8.629 2.092 0.802) 8.915 10.142 ( -16.142 8.943 -13.668) 22.964 10.537 ( -5.902 2.040 12.059) 13.580 10.868 ( -10.596 9.423 3.237) 14.544 11.196 ( 8.309 -0.141 -1.919) 8.529 11.835 ( -2.651 -3.320 -2.692) 5.030 12.137 ( -11.483 -12.299 -1.783) 16.921 12.388 ( -1.115 0.413 4.642) 4.791 12.574 ( -4.494 1.508 -7.064) 8.507 13.060 ( -4.449 8.981 2.509) 10.331 13.660 ( 4.476 6.621 10.087) 12.869 14.012 ( 0.348 -3.539 -2.564) 4.384 14.486 ( -1.558 -2.858 3.465) 4.754 14.617 ( -0.734 -0.197 3.455) 3.538 15.051 ( -2.248 -5.170 -5.913) 8.170 15.649 ( 4.414 -2.391 -2.396) 5.562 21.223 ( 0.310 0.592 -1.362) 1.518 21.562 ( -1.157 0.317 2.907) 3.144 21.738 ( 19.422 7.010 -16.161) 26.220 22.417 ( 3.983 -2.396 -1.902) 5.022 22.667 ( -1.034 2.358 1.089) 2.796 22.888 ( -2.910 7.805 17.344) 19.241 23.081 ( 1.099 -2.131 8.087) 8.435 24.246 ( -5.173 2.789 4.994) 7.712 25.289 ( -2.446 2.896 4.598) 5.959 26.095 ( -4.516 -8.781 -12.814) 16.177 26.256 ( 4.602 -8.732 -3.293) 10.406 26.278 ( 3.331 -3.689 -6.073) 7.847 ======================= Grid point 52 (20/128) ======================= q-point: ( 0.43 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.923 4.185 11.482) 12.835 2.147 ( -15.333 2.172 26.406) 30.612 2.431 ( -2.869 -9.276 22.031) 24.076 2.654 ( -2.517 4.341 12.424) 13.399 2.747 ( -1.513 -0.984 -4.674) 5.010 2.982 ( 3.498 -18.837 -0.572) 19.168 3.319 ( -4.611 -2.539 7.210) 8.927 3.559 ( 1.898 0.416 1.162) 2.264 3.721 ( 4.702 2.128 2.436) 5.707 4.174 ( -2.013 3.820 6.231) 7.581 4.471 ( -2.878 9.152 2.972) 10.043 4.828 ( 2.718 -15.609 3.453) 16.216 4.985 ( 1.956 -0.422 -3.445) 3.984 5.202 ( 0.012 4.510 -0.908) 4.600 5.336 ( 4.485 -10.197 0.327) 11.144 5.395 ( -0.515 -1.949 -4.324) 4.771 5.722 ( 0.975 6.912 0.623) 7.008 5.958 ( -0.789 5.097 1.563) 5.389 6.096 ( -2.879 -2.381 -4.752) 6.045 6.239 ( 0.534 -0.018 3.395) 3.437 6.386 ( 8.671 -6.297 1.733) 10.855 6.830 ( 3.811 1.680 -2.203) 4.711 6.973 ( 2.646 4.433 4.936) 7.143 7.117 ( -1.065 0.735 -1.664) 2.108 7.358 ( 2.217 -1.080 -0.003) 2.466 7.552 ( -4.726 -9.920 -12.094) 16.340 8.090 ( -0.420 5.587 -2.449) 6.115 8.107 ( -3.143 -2.015 1.316) 3.958 8.354 ( 3.530 2.635 3.649) 5.720 8.716 ( 7.648 -1.640 1.084) 7.896 9.115 ( -1.007 0.916 -0.740) 1.549 9.305 ( -2.819 -0.970 -10.702) 11.110 9.706 ( -8.138 12.093 -9.605) 17.456 10.038 ( 3.840 -1.399 4.468) 6.055 10.535 ( -3.876 -5.885 5.857) 9.163 10.660 ( -1.412 7.180 5.675) 9.260 11.322 ( 5.921 -1.574 3.189) 6.906 11.814 ( -8.405 -5.468 -4.837) 11.133 12.145 ( -2.207 -2.041 -0.104) 3.008 12.452 ( 1.166 -3.334 -1.508) 3.841 12.467 ( -1.565 0.268 -4.528) 4.798 12.884 ( -4.992 3.810 -0.284) 6.286 13.636 ( 3.510 8.849 7.887) 12.362 14.091 ( 3.797 -3.565 -2.216) 5.661 14.514 ( -3.460 -2.763 5.615) 7.151 14.646 ( -0.001 -0.441 7.913) 7.926 15.050 ( 1.837 0.590 -5.483) 5.813 15.701 ( 1.195 -0.979 -4.316) 4.584 21.214 ( 0.505 0.483 -1.556) 1.705 21.546 ( -1.905 0.191 1.651) 2.528 21.775 ( 6.735 2.689 -14.952) 16.618 22.488 ( 1.033 -2.628 -1.977) 3.447 22.620 ( -1.207 1.664 0.543) 2.126 22.829 ( -2.446 4.393 18.268) 18.948 23.185 ( 0.971 -3.247 1.485) 3.701 24.165 ( -3.203 2.122 7.371) 8.313 25.255 ( -3.647 -1.231 5.411) 6.640 26.085 ( -0.650 -1.966 -9.608) 9.829 26.321 ( 1.720 -0.471 -6.479) 6.720 26.423 ( 5.773 -4.193 -1.565) 7.304 ======================= Grid point 53 (21/128) ======================= q-point: (-0.43 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -14.883 19.604 -0.104) 24.613 1.937 ( -17.066 11.081 19.507) 28.188 2.573 ( -0.524 3.187 3.987) 5.131 2.600 ( -7.152 -0.514 33.234) 33.999 2.736 ( -1.073 9.765 -3.570) 10.453 3.200 ( -9.024 1.507 10.563) 13.974 3.274 ( 1.420 -10.456 -8.260) 13.400 3.492 ( -2.238 15.841 10.948) 19.386 3.625 ( 6.686 6.006 3.225) 9.548 4.297 ( -4.920 -6.714 8.277) 11.739 4.371 ( -0.869 -6.326 -1.769) 6.626 4.817 ( -2.088 9.263 1.383) 9.595 5.036 ( -5.951 -1.141 0.202) 6.062 5.212 ( 5.955 -5.143 -3.074) 8.447 5.352 ( -3.693 2.479 -0.809) 4.520 5.529 ( 4.842 3.325 1.358) 6.029 5.774 ( -1.092 -16.241 4.189) 16.808 5.915 ( -0.687 -1.585 -1.225) 2.117 6.008 ( -3.749 1.994 -5.808) 7.195 6.299 ( -2.259 -3.908 7.415) 8.681 6.512 ( -1.531 0.919 3.697) 4.105 6.752 ( -1.288 3.262 -5.892) 6.857 6.862 ( -13.142 4.961 -0.065) 14.048 7.148 ( 6.371 0.663 -2.100) 6.741 7.244 ( -2.418 1.349 -3.199) 4.231 7.766 ( 3.597 -11.913 -8.179) 14.891 7.957 ( 0.424 5.090 4.146) 6.578 8.233 ( 7.516 -3.101 0.218) 8.134 8.306 ( 1.425 8.138 1.020) 8.325 8.754 ( 1.888 7.543 2.130) 8.062 8.961 ( -7.848 4.111 -5.718) 10.544 9.360 ( 6.158 -7.471 -12.943) 16.164 9.521 ( 2.302 3.593 -2.962) 5.195 10.106 ( -2.377 -5.458 -0.450) 5.970 10.613 ( 4.665 4.162 4.748) 7.850 10.749 ( 9.239 -10.365 8.387) 16.221 11.430 ( 3.476 -1.402 6.736) 7.708 11.715 ( -14.604 -5.168 -5.327) 16.382 12.161 ( 3.463 1.516 3.669) 5.268 12.383 ( 1.102 2.772 -4.535) 5.428 12.583 ( 0.691 -7.868 -2.280) 8.221 12.830 ( 1.040 -0.730 -0.776) 1.489 13.558 ( 0.744 8.131 5.486) 9.837 14.190 ( 3.280 -2.808 -0.246) 4.325 14.535 ( -3.043 -2.957 5.490) 6.939 14.673 ( 0.490 3.102 9.525) 10.029 15.068 ( 6.738 1.096 -4.410) 8.127 15.678 ( -0.981 1.173 -5.265) 5.483 21.209 ( 0.659 0.231 -1.804) 1.934 21.516 ( -3.692 -1.047 -1.799) 4.238 21.713 ( -4.209 -0.771 -14.339) 14.964 22.491 ( -2.702 -0.247 -1.614) 3.158 22.605 ( 0.659 -0.183 -0.016) 0.684 22.833 ( -3.205 0.063 17.244) 17.540 23.176 ( -1.964 4.271 2.095) 5.146 24.184 ( -0.490 -3.322 8.078) 8.748 25.269 ( -5.502 -5.421 5.525) 9.496 26.068 ( 4.126 1.585 -10.178) 11.096 26.287 ( 0.289 3.320 -4.167) 5.336 26.520 ( 6.533 2.163 -2.106) 7.197 ======================= Grid point 54 (22/128) ======================= q-point: (-0.29 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -15.833 25.714 -0.485) 30.202 1.501 ( -17.125 22.500 17.213) 33.103 2.225 ( -21.188 31.163 2.984) 37.801 2.477 ( -0.872 6.611 3.740) 7.646 2.681 ( -6.891 -0.969 35.351) 36.030 3.128 ( -9.538 2.331 16.012) 18.783 3.175 ( -0.470 11.176 3.288) 11.659 3.370 ( -3.544 5.202 6.274) 8.887 3.781 ( 9.583 -5.542 6.741) 12.961 4.192 ( -9.539 1.144 -3.937) 10.383 4.530 ( 0.913 0.063 -1.026) 1.375 4.662 ( -4.719 0.691 -3.026) 5.648 4.974 ( -3.709 -1.522 2.675) 4.819 5.241 ( -4.300 2.131 -1.525) 5.035 5.304 ( 1.678 0.850 0.566) 1.964 5.505 ( 5.288 6.207 -2.934) 8.666 5.848 ( -5.738 -0.745 -3.992) 7.029 5.982 ( -0.894 -8.232 -4.286) 9.324 6.101 ( -1.628 -14.973 6.207) 16.291 6.320 ( -6.465 0.318 9.669) 11.635 6.389 ( -19.344 -7.260 -2.894) 20.863 6.533 ( -6.966 5.643 -1.569) 9.101 6.735 ( 2.350 1.559 -6.686) 7.256 7.209 ( 6.616 1.831 -2.948) 7.471 7.307 ( 3.303 -4.915 -1.512) 6.112 7.792 ( -1.140 9.671 -3.227) 10.258 7.936 ( 0.118 -3.033 4.390) 5.337 8.165 ( 2.158 8.003 -2.682) 8.712 8.376 ( 4.010 3.913 0.069) 5.603 8.663 ( -1.785 0.063 1.232) 2.170 8.838 ( -1.880 0.259 0.063) 1.898 9.459 ( 7.210 -0.258 -9.852) 12.211 9.613 ( 11.656 -1.084 -6.709) 13.492 10.151 ( -5.058 -6.741 1.169) 8.508 10.641 ( 8.287 6.068 2.004) 10.465 11.085 ( 9.280 -5.517 -2.155) 11.009 11.492 ( 3.498 1.554 -9.522) 10.262 11.642 ( -14.749 -17.180 18.350) 29.144 12.247 ( 7.535 0.502 9.422) 12.075 12.386 ( 5.228 0.315 2.677) 5.882 12.682 ( 0.447 -5.255 -4.061) 6.656 12.905 ( 5.306 -2.524 -0.857) 5.938 13.467 ( -4.836 2.247 4.893) 7.237 14.253 ( -0.392 -1.680 3.085) 3.535 14.565 ( 2.300 2.305 1.925) 3.783 14.638 ( -0.403 4.471 6.178) 7.637 15.174 ( 9.452 -1.147 -0.363) 9.528 15.605 ( -0.238 3.661 -5.161) 6.332 21.207 ( -0.715 -0.828 -2.917) 3.115 21.416 ( -15.427 -5.409 -16.535) 23.252 21.590 ( -4.935 0.635 -3.682) 6.190 22.425 ( -3.070 2.201 -1.534) 4.077 22.628 ( 0.858 -1.151 -0.143) 1.442 22.885 ( -2.656 -2.565 13.571) 14.064 23.074 ( -7.670 0.339 11.477) 13.808 24.291 ( 1.826 -3.684 7.069) 8.178 25.312 ( -7.415 -8.720 3.591) 11.997 26.059 ( 9.530 5.980 -11.737) 16.258 26.205 ( -0.396 4.902 -1.602) 5.173 26.506 ( 8.402 11.358 -6.280) 15.461 ======================= Grid point 55 (23/128) ======================= q-point: (-0.14 0.00 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -2.828 26.127 15.065) 30.291 0.970 ( -12.561 29.213 15.997) 35.596 1.411 ( -20.069 32.474 34.786) 51.647 2.407 ( -1.172 3.109 5.358) 6.304 2.718 ( -8.632 1.350 31.978) 33.151 2.966 ( -14.337 5.252 20.138) 25.272 3.080 ( -0.932 4.189 8.821) 9.810 3.284 ( -1.483 2.684 3.063) 4.334 3.977 ( -6.439 -0.432 -2.463) 6.907 4.011 ( -1.992 -2.447 4.975) 5.891 4.471 ( -10.274 4.861 -8.439) 14.156 4.496 ( 7.573 8.685 -1.296) 11.596 5.057 ( -0.769 -10.243 0.751) 10.299 5.174 ( -2.974 -0.762 -2.518) 3.971 5.271 ( -1.160 1.591 -0.326) 1.996 5.454 ( 6.708 9.053 1.054) 11.316 5.843 ( 1.554 -4.798 -7.725) 9.226 6.013 ( -2.472 -0.514 -6.906) 7.353 6.104 ( -23.485 -6.839 -13.803) 28.086 6.244 ( -1.243 -5.102 4.770) 7.094 6.398 ( -7.249 -5.197 9.670) 13.155 6.492 ( -1.459 -4.727 3.285) 5.939 6.726 ( -0.595 -2.295 -2.543) 3.477 7.217 ( 8.444 7.822 -6.358) 13.149 7.390 ( 2.657 -0.749 -6.177) 6.766 7.583 ( -5.616 5.692 -1.264) 8.095 7.981 ( -3.447 -1.721 2.140) 4.407 8.074 ( 1.113 5.470 -1.698) 5.834 8.448 ( 9.665 -7.269 14.483) 18.868 8.657 ( -2.720 -3.160 -2.422) 4.822 8.866 ( 0.602 -0.136 5.272) 5.308 9.536 ( 8.634 1.795 -10.412) 13.644 9.661 ( 11.390 11.431 -10.578) 19.294 10.217 ( 1.863 -3.505 11.424) 12.094 10.652 ( 4.900 6.481 2.597) 8.530 11.030 ( 1.296 6.004 -23.076) 23.879 11.597 ( -0.904 -12.650 1.601) 12.783 11.832 ( -4.285 -8.484 10.560) 14.207 12.327 ( 0.354 0.247 1.387) 1.452 12.667 ( 7.854 -5.587 -9.414) 13.473 12.827 ( 19.041 -9.250 28.708) 35.669 13.019 ( 5.302 -2.248 -0.699) 5.801 13.435 ( -14.853 -16.669 12.340) 25.510 14.256 ( -2.728 1.780 7.324) 8.016 14.475 ( 8.307 14.096 -4.686) 17.020 14.646 ( -3.283 -3.875 3.589) 6.219 15.332 ( 6.969 -2.276 -0.193) 7.334 15.497 ( -1.432 8.928 -11.555) 14.672 21.010 ( -28.750 -2.544 -18.402) 34.230 21.249 ( -0.064 0.385 -2.647) 2.675 21.544 ( -0.762 0.982 2.657) 2.933 22.339 ( -2.372 2.303 -1.557) 3.655 22.664 ( 1.214 -1.339 1.056) 2.093 22.875 ( 0.450 4.547 1.028) 4.684 23.259 ( -13.630 -35.773 31.533) 49.597 24.390 ( 3.631 -0.263 6.913) 7.813 25.340 ( -7.430 -6.094 -3.799) 10.333 25.990 ( 15.925 24.024 -18.068) 34.018 26.128 ( 0.697 4.223 -1.661) 4.591 26.305 ( 3.182 19.086 -10.285) 21.913 ======================= Grid point 57 (24/128) ======================= q-point: ( 0.14 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 23.284 -0.000 17.869) 29.351 1.686 ( 19.721 -0.000 28.778) 34.886 2.403 ( 1.864 -0.000 30.776) 30.832 2.444 ( -0.317 0.000 5.714) 5.722 2.569 ( -12.769 0.000 38.475) 40.539 2.807 ( 10.789 -0.000 27.038) 29.111 2.978 ( 1.168 -0.000 4.991) 5.125 3.225 ( 0.565 -0.000 -2.246) 2.317 3.694 ( 5.982 -0.000 -2.418) 6.452 3.855 ( 2.177 -0.000 -11.191) 11.401 4.438 ( 6.284 -0.000 7.338) 9.661 4.861 ( 6.955 -0.000 -8.771) 11.194 5.042 ( 3.620 -0.000 -8.400) 9.147 5.068 ( -1.888 0.000 -7.024) 7.273 5.231 ( 8.108 -0.000 -0.982) 8.168 5.433 ( -5.162 0.000 0.584) 5.195 5.937 ( 12.173 -0.000 -12.073) 17.145 5.953 ( -0.082 0.000 1.047) 1.050 6.206 ( -3.474 0.000 -2.051) 4.034 6.314 ( 8.916 -0.000 -8.766) 12.503 6.483 ( -1.450 0.000 2.938) 3.276 6.504 ( 2.403 -0.000 -5.783) 6.262 6.872 ( 16.174 -0.000 9.646) 18.832 7.123 ( -3.780 0.000 -5.749) 6.880 7.286 ( -5.058 0.000 -4.470) 6.750 7.687 ( 13.295 -0.000 1.106) 13.341 7.860 ( -8.641 0.000 -3.068) 9.169 8.072 ( 4.783 -0.000 3.542) 5.951 8.497 ( -6.550 0.000 8.163) 10.466 8.813 ( -2.398 0.000 2.029) 3.141 8.980 ( 3.451 -0.000 1.679) 3.837 9.379 ( -0.594 0.000 -1.821) 1.916 9.983 ( 6.852 -0.000 3.774) 7.823 10.105 ( -15.675 0.000 -16.205) 22.546 10.760 ( -7.634 0.000 6.647) 10.123 11.067 ( -1.042 0.000 -1.463) 1.797 11.252 ( -27.551 0.000 15.169) 31.451 11.594 ( -5.193 0.000 -2.653) 5.832 11.908 ( 6.980 -0.000 -3.273) 7.709 12.412 ( -6.201 0.000 9.149) 11.053 12.582 ( -2.458 0.000 -14.136) 14.348 13.437 ( 12.653 -0.000 4.010) 13.273 13.460 ( -26.194 0.000 -8.004) 27.389 14.017 ( 0.072 -0.000 13.798) 13.798 14.570 ( 5.563 -0.000 3.750) 6.709 14.624 ( -2.216 0.000 2.538) 3.369 14.795 ( 8.201 -0.000 -2.119) 8.470 15.612 ( 5.449 -0.000 -1.749) 5.722 21.235 ( -0.126 0.000 -1.075) 1.082 21.569 ( -1.004 0.000 3.937) 4.063 21.847 ( 12.320 -0.000 -23.252) 26.314 22.402 ( 6.538 -0.000 -4.290) 7.820 22.759 ( -0.513 0.000 5.244) 5.269 22.813 ( -0.942 0.000 -0.392) 1.020 23.885 ( 0.357 -0.000 -1.124) 1.179 23.946 ( -11.277 0.000 15.716) 19.344 25.118 ( -17.368 0.000 7.791) 19.036 25.887 ( 26.855 -0.000 -11.003) 29.021 26.076 ( 0.556 -0.000 -0.727) 0.915 26.223 ( 2.995 -0.000 -2.783) 4.089 ======================= Grid point 58 (25/128) ======================= q-point: ( 0.29 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 15.784 -11.112 11.087) 22.260 2.025 ( -3.621 -7.089 29.173) 30.240 2.403 ( -7.793 1.965 27.341) 28.498 2.485 ( 4.325 -4.783 10.254) 12.113 2.601 ( -8.943 -5.359 22.640) 24.925 2.996 ( 5.589 15.953 6.252) 18.023 3.110 ( 3.133 -7.967 5.749) 10.312 3.442 ( 12.327 -9.751 11.141) 19.265 3.689 ( 11.825 5.931 2.927) 13.549 4.133 ( 8.896 -20.816 -5.249) 23.238 4.474 ( 1.989 6.723 3.713) 7.933 4.868 ( -0.637 7.978 -5.324) 9.613 4.939 ( 2.677 0.302 -10.343) 10.688 5.169 ( 6.394 -3.041 -7.738) 10.489 5.281 ( 6.304 0.502 -1.236) 6.443 5.444 ( 1.562 -0.896 -0.939) 2.030 5.949 ( -1.220 -0.485 0.342) 1.357 5.989 ( 7.637 7.033 -4.698) 11.395 6.108 ( -5.095 1.821 -6.899) 8.768 6.252 ( 2.816 4.381 6.262) 8.145 6.484 ( 9.274 9.048 -5.623) 14.124 6.657 ( 3.654 -10.723 -7.280) 13.466 7.114 ( -0.207 -0.268 6.388) 6.397 7.123 ( 8.612 -4.821 1.724) 10.019 7.182 ( -2.426 0.507 -7.611) 8.004 7.631 ( -8.274 8.228 -0.881) 11.702 7.909 ( 12.126 -3.827 -1.201) 12.772 8.244 ( 6.681 -6.204 3.819) 9.885 8.446 ( -3.416 4.011 3.671) 6.421 8.712 ( 0.718 7.756 6.028) 9.849 9.068 ( 3.631 -3.032 1.707) 5.028 9.348 ( -4.643 1.246 -2.957) 5.644 9.872 ( -12.502 -5.809 -17.165) 22.015 10.061 ( 3.937 2.043 1.119) 4.574 10.538 ( -15.327 8.397 14.688) 22.829 10.878 ( -10.299 6.906 5.897) 13.731 11.157 ( -7.573 -7.860 3.430) 11.441 11.632 ( 1.839 -6.267 -9.825) 11.797 12.008 ( 4.048 -3.542 -2.694) 6.016 12.374 ( -4.139 -0.509 6.184) 7.459 12.495 ( -1.391 -0.328 -12.718) 12.798 13.035 ( -17.943 4.858 -4.721) 19.179 13.670 ( 6.163 -4.955 1.239) 8.004 14.064 ( -0.254 0.853 13.517) 13.546 14.568 ( 1.719 5.325 3.205) 6.449 14.638 ( 3.502 0.756 4.021) 5.386 14.951 ( 3.224 -5.966 -1.418) 6.928 15.669 ( 3.603 -0.723 -3.961) 5.403 21.228 ( 0.222 0.289 -0.965) 1.031 21.560 ( -2.004 0.521 3.157) 3.776 21.847 ( 2.882 1.273 -17.372) 17.656 22.457 ( 3.924 -0.017 -3.878) 5.517 22.698 ( -2.142 3.964 2.834) 5.323 22.897 ( 0.100 -7.626 2.046) 7.897 23.442 ( 3.077 28.089 13.749) 31.424 24.183 ( -2.875 -8.858 3.235) 9.859 25.019 ( -17.010 -10.113 4.692) 20.338 26.067 ( 6.223 1.076 -5.047) 8.085 26.246 ( 14.390 -5.305 -4.474) 15.976 26.271 ( 4.932 -1.798 -4.332) 6.806 ======================= Grid point 59 (26/128) ======================= q-point: ( 0.43 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -20.297 -2.010 29.634) 35.974 2.337 ( 8.797 -15.407 10.160) 20.445 2.430 ( 1.379 2.980 19.253) 19.531 2.665 ( -7.431 5.088 14.417) 16.999 2.711 ( 1.638 2.385 0.386) 2.919 2.848 ( 9.617 -7.513 10.715) 16.240 3.255 ( -0.934 -2.600 5.366) 6.036 3.648 ( 6.531 0.032 1.491) 6.699 3.830 ( 6.931 1.240 6.240) 9.408 4.331 ( 2.742 11.864 0.031) 12.177 4.595 ( -2.883 0.664 4.170) 5.113 4.628 ( 5.119 -6.057 -3.547) 8.687 4.982 ( 2.429 -1.791 -5.918) 6.643 5.206 ( 0.171 -7.547 -8.736) 11.546 5.403 ( 6.113 12.118 4.127) 14.186 5.436 ( 7.594 0.909 0.441) 7.661 5.891 ( 0.407 10.048 1.498) 10.167 5.927 ( -4.218 -1.884 -2.941) 5.476 6.041 ( 1.803 -0.140 -4.390) 4.748 6.285 ( -0.797 3.099 3.037) 4.411 6.459 ( 6.865 1.873 -1.000) 7.186 6.807 ( -1.045 -4.585 -3.503) 5.864 7.056 ( -1.894 5.932 4.879) 7.911 7.151 ( 1.281 0.308 -4.798) 4.976 7.293 ( 0.384 -9.550 -8.353) 12.694 7.495 ( 4.703 5.458 2.549) 7.642 8.097 ( 8.642 -2.546 -5.459) 10.534 8.193 ( -3.252 11.261 2.055) 11.900 8.479 ( 7.866 -0.781 3.822) 8.781 8.778 ( 5.509 -4.380 7.664) 10.405 9.104 ( -2.695 1.650 -3.568) 4.767 9.230 ( -1.578 2.790 -5.946) 6.755 9.699 ( -6.557 3.804 -10.993) 13.354 10.077 ( -0.495 1.495 3.153) 3.524 10.357 ( -8.472 -6.002 5.683) 11.836 10.741 ( -4.610 1.320 11.208) 12.191 11.188 ( -11.214 -9.519 5.336) 15.647 11.702 ( 6.650 -0.557 -14.816) 16.250 12.096 ( 1.240 -4.815 -1.745) 5.270 12.379 ( -3.176 -3.858 3.840) 6.302 12.451 ( 1.119 0.052 -8.327) 8.402 12.785 ( -10.739 -1.233 -2.340) 11.060 13.751 ( 0.231 2.362 4.745) 5.306 14.115 ( 0.734 -1.309 7.558) 7.706 14.529 ( 0.890 3.257 2.746) 4.352 14.714 ( 4.907 0.616 7.254) 8.779 15.045 ( 2.390 -2.975 -3.102) 4.918 15.696 ( 2.140 0.012 -4.967) 5.408 21.224 ( 0.616 0.464 -1.147) 1.382 21.519 ( -3.502 1.259 0.173) 3.725 21.744 ( -4.320 2.301 -10.367) 11.464 22.481 ( 1.538 -0.045 -2.772) 3.170 22.636 ( -1.018 1.952 1.442) 2.632 23.020 ( 2.474 -2.258 2.366) 4.101 23.230 ( 3.494 12.531 11.741) 17.524 24.221 ( 0.168 2.368 5.885) 6.345 24.966 ( -16.927 -11.595 2.918) 20.724 26.109 ( 4.773 0.295 -4.880) 6.833 26.322 ( 2.550 -1.080 -3.676) 4.602 26.494 ( 13.925 -1.936 -4.744) 14.838 ======================= Grid point 60 (27/128) ======================= q-point: (-0.43 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -18.673 4.420 33.548) 38.649 2.188 ( -1.508 29.120 1.364) 29.191 2.578 ( -2.968 -4.778 20.141) 20.912 2.637 ( 1.799 -1.444 13.120) 13.321 2.861 ( 1.888 -1.070 2.047) 2.983 3.092 ( 1.523 -5.062 -5.048) 7.309 3.225 ( 0.103 2.265 7.398) 7.738 3.658 ( 2.797 7.701 5.019) 9.608 3.912 ( 5.307 3.492 1.475) 6.522 4.205 ( -2.178 2.604 9.472) 10.062 4.323 ( -6.930 8.883 0.943) 11.306 4.845 ( 0.802 0.946 -4.296) 4.471 5.068 ( 4.791 -5.938 -4.482) 8.849 5.239 ( 3.956 6.089 1.538) 7.422 5.328 ( -2.837 0.268 -0.307) 2.866 5.563 ( 5.681 -7.275 4.669) 10.344 5.729 ( -1.994 8.670 2.378) 9.209 5.878 ( -2.065 1.488 -2.683) 3.698 6.004 ( -0.072 5.114 -5.912) 7.817 6.222 ( -5.876 -0.436 5.230) 7.879 6.517 ( -1.971 0.143 1.343) 2.389 6.710 ( -5.384 5.206 -1.725) 7.686 6.865 ( -6.778 8.726 1.445) 11.143 7.175 ( -1.561 0.613 -0.626) 1.790 7.341 ( 8.318 3.274 -5.494) 10.493 7.625 ( 7.384 -9.638 -8.055) 14.570 8.095 ( 6.877 4.226 0.808) 8.112 8.231 ( 3.588 -5.387 -4.334) 7.790 8.532 ( 5.116 9.595 6.593) 12.716 8.832 ( -4.463 6.273 -1.722) 7.889 9.001 ( 0.788 8.526 0.500) 8.577 9.225 ( 4.000 -11.726 -11.142) 16.663 9.568 ( 0.201 1.865 -3.749) 4.192 10.015 ( -4.423 -0.399 3.179) 5.461 10.565 ( 2.834 -18.211 0.118) 18.431 10.790 ( 1.840 -2.900 12.165) 12.640 11.175 ( -16.104 -9.709 6.923) 20.039 11.681 ( 6.313 5.561 -15.789) 17.891 12.211 ( 4.352 -5.524 1.649) 7.223 12.377 ( -1.008 0.304 -5.231) 5.336 12.489 ( -0.131 -6.265 2.228) 6.651 12.761 ( -1.552 -6.218 -0.867) 6.468 13.659 ( -5.912 6.950 7.960) 12.109 14.177 ( -0.537 -2.494 3.639) 4.444 14.524 ( 1.745 0.902 2.054) 2.842 14.798 ( 4.846 2.188 6.878) 8.693 15.107 ( 2.752 -3.098 -4.181) 5.886 15.691 ( 2.526 1.667 -5.034) 5.874 21.218 ( 0.498 0.924 -1.643) 1.950 21.382 ( -10.068 3.147 -6.504) 12.392 21.619 ( -4.486 1.118 -0.094) 4.624 22.478 ( 0.599 0.785 -2.630) 2.809 22.618 ( 0.256 0.613 0.521) 0.844 23.014 ( 3.957 9.810 9.196) 14.016 23.203 ( -1.278 1.329 2.986) 3.510 24.219 ( 1.648 2.214 9.129) 9.537 24.949 ( -14.626 -13.376 1.573) 19.883 26.151 ( 5.524 0.777 -5.174) 7.608 26.327 ( 1.264 1.937 -3.306) 4.035 26.655 ( 11.006 0.790 -5.615) 12.381 ======================= Grid point 61 (28/128) ======================= q-point: (-0.29 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -1.345 23.444 21.895) 32.106 1.736 ( -8.090 21.804 23.437) 33.018 2.488 ( -4.147 25.971 -4.918) 26.756 2.665 ( 4.271 9.349 4.109) 11.069 2.725 ( -9.085 0.848 33.320) 34.547 3.109 ( -5.518 1.206 5.819) 8.109 3.234 ( -1.287 2.131 -3.462) 4.264 3.500 ( -3.317 12.161 9.490) 15.778 3.975 ( 12.149 2.535 5.138) 13.432 4.087 ( -9.391 7.361 -1.566) 12.034 4.359 ( -1.573 -16.614 3.406) 17.032 4.719 ( -0.476 9.835 -4.795) 10.952 5.078 ( 4.850 7.658 1.054) 9.126 5.222 ( -3.408 4.392 0.754) 5.610 5.332 ( 0.932 0.515 0.493) 1.174 5.584 ( -4.309 -4.096 -0.650) 5.981 5.753 ( -5.554 2.913 -2.104) 6.615 5.840 ( 3.961 -8.436 1.302) 9.411 5.930 ( -2.128 -0.975 -4.079) 4.703 6.131 ( -7.440 1.164 5.425) 9.281 6.362 ( -5.351 9.613 4.226) 11.785 6.572 ( -1.068 4.389 0.846) 4.596 6.746 ( 0.181 0.982 -4.730) 4.834 7.196 ( -0.150 -4.511 1.531) 4.766 7.363 ( 5.618 3.643 -4.898) 8.297 7.797 ( 3.012 -6.096 -5.787) 8.929 8.078 ( 4.082 12.113 -2.202) 12.971 8.281 ( -1.484 3.175 -10.307) 10.887 8.454 ( 5.449 2.393 4.794) 7.642 8.669 ( -6.000 7.574 2.522) 9.986 8.873 ( 1.577 3.208 1.693) 3.955 9.472 ( 7.835 -7.973 -11.486) 16.028 9.613 ( 4.453 -5.827 -4.013) 8.360 10.047 ( -0.026 -5.634 7.002) 8.987 10.840 ( 7.365 -4.944 -0.228) 8.873 10.948 ( -3.032 -8.864 -2.690) 9.747 11.127 ( -17.870 -13.995 8.596) 24.271 11.632 ( 8.212 3.999 -8.132) 12.230 12.338 ( 1.475 1.123 2.813) 3.369 12.433 ( 7.759 -9.118 -3.605) 12.504 12.625 ( 3.149 -7.532 4.170) 9.167 12.871 ( 1.024 -6.888 0.685) 6.997 13.458 ( -11.560 8.047 10.928) 17.827 14.197 ( -3.794 -1.977 3.524) 5.542 14.560 ( 2.102 -0.704 0.860) 2.377 14.796 ( 0.696 6.135 0.128) 6.175 15.201 ( 3.070 -5.380 -1.587) 6.394 15.675 ( 3.741 3.166 -7.284) 8.780 21.082 ( -9.623 6.615 -3.995) 12.342 21.243 ( -0.623 -0.310 -1.912) 2.035 21.572 ( -2.000 0.588 2.751) 3.451 22.447 ( 0.731 2.862 -3.466) 4.554 22.624 ( 0.344 -0.463 0.884) 1.056 22.955 ( -0.766 6.574 14.501) 15.939 23.115 ( -2.821 6.360 0.873) 7.012 24.287 ( 0.645 -2.725 9.297) 9.710 25.001 ( -8.165 -13.581 0.234) 15.848 26.188 ( 5.375 1.520 -5.226) 7.650 26.275 ( 0.621 4.488 -1.911) 4.917 26.715 ( 7.476 3.987 -12.008) 14.696 ======================= Grid point 62 (29/128) ======================= q-point: (-0.14 0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 7.310 29.841 17.898) 35.557 1.490 ( 2.898 25.670 28.662) 38.586 1.978 ( 5.315 31.124 22.260) 38.632 2.546 ( 2.471 12.449 7.715) 14.853 2.737 ( -12.121 -0.446 32.108) 34.322 2.959 ( -10.232 7.115 12.280) 17.496 3.130 ( -2.668 4.109 -1.157) 5.034 3.368 ( 0.545 6.667 5.071) 8.394 3.788 ( -14.416 5.172 -5.355) 16.225 4.152 ( 9.619 1.061 8.203) 12.687 4.486 ( -3.024 14.107 -6.416) 15.790 4.629 ( 6.596 -11.100 -5.804) 14.156 4.998 ( 1.208 7.174 1.627) 7.455 5.118 ( -3.674 0.606 -1.052) 3.870 5.235 ( -4.702 1.490 -2.006) 5.324 5.633 ( -0.871 1.594 -5.957) 6.228 5.718 ( -0.287 -6.554 -7.672) 10.094 5.861 ( 3.756 0.772 0.053) 3.835 5.994 ( 0.888 -1.483 2.915) 3.390 6.140 ( -2.418 -6.933 6.779) 9.993 6.248 ( -2.809 -1.150 7.185) 7.800 6.554 ( 4.185 2.757 5.012) 7.087 6.728 ( 1.327 0.736 -5.693) 5.892 7.280 ( -1.361 -6.014 -0.128) 6.168 7.346 ( 2.676 2.375 -9.942) 10.566 7.772 ( 2.344 15.467 -3.401) 16.009 7.896 ( -5.361 0.128 0.923) 5.441 8.176 ( 2.415 5.970 -5.063) 8.192 8.517 ( -2.740 1.935 6.280) 7.119 8.555 ( 1.686 -5.545 -2.137) 6.177 8.912 ( 2.441 0.845 5.626) 6.190 9.592 ( 5.057 -2.385 -12.668) 13.847 9.717 ( 2.316 -3.000 -3.992) 5.504 10.288 ( 9.520 -10.936 9.781) 17.490 10.771 ( -11.715 6.866 -2.922) 13.889 10.988 ( 6.634 -2.908 -19.527) 20.827 11.223 ( -14.762 -17.931 12.214) 26.242 11.732 ( 6.466 -3.336 -2.252) 7.616 12.351 ( 0.363 1.044 2.328) 2.578 12.579 ( -1.513 -5.198 -10.609) 11.911 12.886 ( -8.623 -7.889 4.754) 12.617 13.004 ( 5.413 -7.631 6.577) 11.437 13.262 ( -1.182 0.722 22.785) 22.827 14.164 ( -7.026 -1.385 2.880) 7.719 14.584 ( -0.172 2.062 -2.409) 3.175 14.648 ( -3.805 5.177 -1.631) 6.629 15.296 ( -2.689 -2.894 -6.292) 7.430 15.568 ( -0.223 8.956 -10.693) 13.950 20.990 ( 16.640 2.774 4.182) 17.380 21.248 ( 1.236 -0.507 -1.560) 2.054 21.558 ( -0.881 0.439 3.278) 3.422 22.378 ( 0.666 4.772 -3.235) 5.804 22.653 ( 0.489 -1.957 1.540) 2.538 22.941 ( -9.750 -4.718 22.103) 24.614 22.988 ( 1.615 6.869 1.867) 7.299 24.360 ( -3.939 -4.018 6.839) 8.856 25.154 ( 1.960 -11.270 -0.289) 11.443 26.188 ( 1.919 4.962 -2.744) 5.986 26.211 ( 3.022 3.151 -2.827) 5.201 26.559 ( -2.772 14.142 -25.686) 29.452 ======================= Grid point 65 (30/128) ======================= q-point: ( 0.29 0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -20.205 0.000 36.009) 41.291 1.932 ( 4.187 -0.000 4.440) 6.103 2.485 ( -3.334 0.000 18.604) 18.901 2.495 ( 2.227 -0.000 7.551) 7.872 2.592 ( -5.070 0.000 40.253) 40.571 3.168 ( 9.736 -0.000 4.414) 10.689 3.369 ( 7.293 -0.000 -1.496) 7.445 3.530 ( 9.701 -0.000 11.853) 15.317 3.977 ( 12.395 -0.000 2.875) 12.724 4.031 ( 14.436 -0.000 -3.824) 14.934 4.600 ( 2.561 -0.000 8.347) 8.732 4.896 ( 1.369 -0.000 -2.689) 3.017 4.963 ( 2.781 -0.000 -16.155) 16.392 5.078 ( -6.805 0.000 -10.633) 12.625 5.391 ( 13.288 -0.000 0.610) 13.302 5.575 ( 14.558 -0.000 -1.041) 14.595 5.939 ( -1.055 0.000 0.475) 1.157 5.953 ( -8.100 0.000 -6.693) 10.507 6.155 ( 6.993 -0.000 -3.832) 7.974 6.445 ( 5.061 -0.000 3.025) 5.897 6.496 ( 0.550 -0.000 -7.115) 7.136 6.715 ( 14.152 -0.000 -9.629) 17.117 6.964 ( -9.528 0.000 -1.472) 9.641 7.112 ( -0.805 0.000 -1.086) 1.352 7.304 ( 5.803 -0.000 6.648) 8.825 7.587 ( -7.732 0.000 -0.853) 7.779 8.064 ( 14.624 -0.000 -6.048) 15.825 8.295 ( 8.403 -0.000 3.353) 9.047 8.484 ( -1.538 0.000 7.813) 7.963 8.886 ( 6.404 -0.000 7.761) 10.062 9.080 ( 1.627 -0.000 5.269) 5.514 9.299 ( -5.767 0.000 -1.658) 6.000 9.542 ( -11.016 0.000 -16.716) 20.019 10.113 ( 0.349 -0.000 1.021) 1.079 10.464 ( -13.598 0.000 9.836) 16.783 10.746 ( -19.939 0.000 8.098) 21.521 11.018 ( -1.375 0.000 3.960) 4.192 11.618 ( 7.650 -0.000 -12.105) 14.320 11.995 ( -1.277 0.000 -3.103) 3.356 12.335 ( -3.540 0.000 4.752) 5.926 12.427 ( 1.266 -0.000 -14.211) 14.267 12.775 ( -16.467 0.000 -2.800) 16.703 13.759 ( 7.126 -0.000 0.677) 7.158 14.101 ( -3.248 0.000 13.682) 14.062 14.608 ( -1.269 0.000 5.968) 6.102 14.764 ( 6.337 -0.000 2.146) 6.690 14.945 ( 3.305 -0.000 -1.307) 3.554 15.693 ( 3.289 -0.000 -4.627) 5.677 21.231 ( 0.408 -0.000 -0.813) 0.910 21.547 ( -2.677 0.000 3.323) 4.267 21.805 ( -0.164 0.000 -13.868) 13.869 22.481 ( 2.117 -0.000 -3.452) 4.049 22.753 ( -3.292 0.000 6.317) 7.124 22.784 ( -0.875 0.000 -0.197) 0.897 23.905 ( 1.685 -0.000 -1.026) 1.973 23.907 ( -2.189 0.000 10.918) 11.135 24.791 ( -10.095 0.000 5.862) 11.673 26.091 ( 0.775 -0.000 -0.491) 0.918 26.292 ( 3.468 -0.000 -3.097) 4.650 26.462 ( 19.907 -0.000 -8.090) 21.488 ======================= Grid point 66 (31/128) ======================= q-point: ( 0.43 0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -21.571 -3.258 38.851) 44.557 2.099 ( -2.132 -15.332 4.509) 16.122 2.523 ( 1.562 -1.245 9.528) 9.736 2.570 ( -5.719 -3.131 25.868) 26.677 2.798 ( -1.178 -10.422 22.924) 25.209 3.215 ( 6.758 21.584 3.342) 22.863 3.328 ( 7.357 3.618 2.418) 8.547 3.677 ( 4.291 -4.727 3.597) 7.327 4.055 ( 7.642 8.984 -1.086) 11.844 4.419 ( 10.765 -17.100 -0.301) 20.209 4.590 ( 3.212 8.994 6.159) 11.364 4.749 ( -3.902 12.589 -7.462) 15.146 4.956 ( 1.310 -1.352 -4.699) 5.062 5.051 ( 1.212 -8.312 -7.458) 11.233 5.582 ( 8.674 1.178 1.152) 8.829 5.700 ( 7.797 9.081 -1.521) 12.065 5.814 ( -3.348 -0.488 -5.235) 6.233 5.953 ( 1.012 -1.593 1.561) 2.450 6.203 ( 10.233 10.290 -6.413) 15.866 6.337 ( -1.124 4.378 1.678) 4.822 6.559 ( -5.287 5.062 1.885) 7.558 6.748 ( 7.784 -2.995 -8.674) 12.033 7.004 ( -1.339 -10.448 -5.601) 11.930 7.126 ( 2.456 0.736 0.286) 2.580 7.277 ( -2.465 7.421 1.300) 7.927 7.561 ( 0.904 -5.649 4.128) 7.055 8.222 ( 13.383 1.113 -10.437) 17.008 8.348 ( -5.406 13.383 2.652) 14.675 8.523 ( 9.824 -8.178 3.400) 13.227 8.916 ( 3.952 8.279 9.085) 12.911 9.052 ( -2.586 0.098 -2.596) 3.665 9.282 ( 1.053 1.767 0.889) 2.241 9.483 ( -8.368 -11.997 -5.487) 15.622 10.101 ( 1.351 -0.131 -3.155) 3.435 10.252 ( -10.422 7.449 5.104) 13.790 10.568 ( -16.795 -7.618 9.322) 20.664 11.051 ( -0.087 -0.790 6.832) 6.878 11.711 ( 7.034 -3.819 -13.234) 15.466 11.969 ( -4.894 -6.744 -3.179) 8.918 12.311 ( -2.118 0.049 2.548) 3.314 12.429 ( 3.510 -1.712 -9.691) 10.448 12.614 ( -7.489 -1.752 1.337) 7.806 13.798 ( -2.031 1.832 3.458) 4.409 14.117 ( -1.153 -1.092 6.211) 6.411 14.605 ( -0.194 2.474 6.808) 7.246 14.838 ( 5.833 1.404 2.590) 6.534 14.996 ( 0.509 -3.374 -3.845) 5.141 15.719 ( 3.310 0.337 -3.708) 4.982 21.232 ( 0.491 0.154 -1.055) 1.174 21.507 ( -2.880 2.175 1.775) 4.022 21.704 ( -2.601 4.201 -8.133) 9.516 22.490 ( 1.331 0.142 -2.817) 3.119 22.667 ( -1.661 3.285 2.510) 4.455 22.899 ( -1.090 -10.447 1.718) 10.643 23.615 ( 2.409 19.978 7.017) 21.311 24.190 ( 0.533 -12.670 3.773) 13.230 24.681 ( -9.931 0.790 5.471) 11.366 26.119 ( 1.352 -2.038 -1.154) 2.705 26.329 ( 2.673 -0.641 -3.101) 4.144 26.669 ( 14.466 0.410 -7.543) 16.319 ======================= Grid point 67 (32/128) ======================= q-point: (-0.43 0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -16.653 -2.809 43.237) 46.418 2.294 ( -4.508 -8.879 2.837) 10.354 2.618 ( -3.854 -1.095 24.878) 25.199 2.693 ( -0.861 -9.168 6.502) 11.272 2.876 ( -0.001 10.292 3.338) 10.820 3.108 ( 4.740 0.359 9.325) 10.467 3.328 ( 1.351 4.675 5.536) 7.371 3.835 ( -2.369 -6.686 1.910) 7.346 3.929 ( 7.269 14.247 -0.643) 16.007 4.379 ( -3.424 12.953 -1.838) 13.524 4.461 ( -2.572 14.425 3.913) 15.166 4.854 ( 7.230 -13.763 -1.483) 15.617 4.965 ( 4.153 -0.408 -5.547) 6.941 5.202 ( 1.230 -7.181 -0.832) 7.333 5.538 ( 2.856 11.457 -3.350) 12.274 5.651 ( 3.953 4.016 2.513) 6.170 5.709 ( -4.459 5.631 0.433) 7.196 5.976 ( -2.645 11.336 0.696) 11.661 6.083 ( 4.112 1.296 -3.593) 5.612 6.232 ( -3.059 7.792 1.376) 8.484 6.492 ( 0.114 -1.631 1.767) 2.408 6.771 ( 1.661 6.659 -3.468) 7.690 6.892 ( -9.741 7.700 2.319) 12.632 7.187 ( -0.043 3.349 0.821) 3.448 7.367 ( 14.461 -14.003 -11.240) 23.056 7.674 ( 3.492 3.136 0.600) 4.732 8.091 ( -7.337 0.922 0.793) 7.437 8.316 ( 10.515 3.904 -8.557) 14.108 8.721 ( 4.615 1.705 5.107) 7.092 8.935 ( -2.430 9.798 1.152) 10.160 9.018 ( 4.027 -13.056 -4.243) 14.307 9.155 ( -3.469 9.921 -2.065) 10.711 9.533 ( -1.070 -4.336 -0.130) 4.468 10.020 ( -4.290 6.242 6.616) 10.057 10.265 ( 0.030 -16.495 -7.019) 17.926 10.593 ( -10.782 -14.156 9.083) 19.979 11.078 ( 0.069 1.948 8.937) 9.148 11.760 ( 6.201 0.759 -14.764) 16.031 12.098 ( 0.899 -12.608 -0.514) 12.650 12.322 ( -1.668 -4.693 0.637) 5.021 12.435 ( 0.778 1.389 0.094) 1.595 12.649 ( 1.190 -6.618 -0.872) 6.781 13.679 ( -9.708 4.777 6.430) 12.586 14.150 ( 0.327 -1.230 0.485) 1.362 14.596 ( 1.154 2.616 5.831) 6.494 14.901 ( 3.382 1.036 -0.887) 3.647 15.029 ( -1.460 -4.785 -2.802) 5.734 15.739 ( 3.172 1.215 -3.098) 4.598 21.230 ( 0.455 0.180 -1.414) 1.496 21.374 ( -3.021 9.404 -1.736) 10.029 21.594 ( -2.433 1.759 0.614) 3.065 22.491 ( 1.278 0.523 -2.615) 2.957 22.631 ( -0.443 0.845 0.795) 1.242 23.056 ( 0.216 -8.775 -0.521) 8.793 23.388 ( 0.345 16.746 8.407) 18.741 24.359 ( 5.237 1.993 8.207) 9.937 24.571 ( -12.226 -8.807 2.957) 15.356 26.174 ( 2.205 -2.390 -2.090) 3.866 26.349 ( 1.363 0.352 -2.803) 3.137 26.778 ( 7.844 1.386 -8.377) 11.559 ======================= Grid point 68 (33/128) ======================= q-point: (-0.29 0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -9.196 0.244 46.088) 46.997 2.188 ( 2.199 20.207 6.652) 21.387 2.672 ( -9.544 -0.811 28.881) 30.427 2.707 ( -5.457 3.206 1.030) 6.412 2.859 ( 2.086 -3.105 -3.893) 5.399 3.092 ( 2.182 8.601 -2.091) 9.116 3.320 ( 1.222 6.040 5.338) 8.153 3.675 ( -5.614 9.848 3.098) 11.752 3.993 ( -3.668 -6.070 0.195) 7.095 4.195 ( -2.336 5.224 6.950) 9.002 4.233 ( 1.492 9.429 4.749) 10.662 4.898 ( 3.686 8.250 -2.260) 9.315 5.110 ( 1.560 -3.277 -7.264) 8.120 5.313 ( 2.717 -3.863 2.879) 5.532 5.429 ( -7.938 14.057 4.763) 16.831 5.463 ( 5.241 1.136 -2.078) 5.751 5.672 ( -5.813 2.102 -2.203) 6.563 5.786 ( -0.770 1.612 1.150) 2.125 6.053 ( 3.426 7.930 -0.076) 8.639 6.167 ( 2.537 1.288 4.368) 5.213 6.481 ( -1.734 10.370 -0.652) 10.534 6.609 ( -1.378 0.850 1.801) 2.421 6.762 ( 1.334 3.101 -4.235) 5.415 7.167 ( 0.432 0.473 2.409) 2.493 7.519 ( 2.048 12.054 -1.533) 12.323 7.702 ( 5.824 -10.011 -6.963) 13.514 8.103 ( -4.579 -8.310 -7.018) 11.802 8.310 ( 5.485 7.465 -7.351) 11.826 8.636 ( -5.761 10.780 6.433) 13.812 8.735 ( -3.840 8.206 -1.687) 9.216 8.966 ( 2.207 4.613 -1.343) 5.287 9.325 ( 5.153 -14.074 -6.030) 16.155 9.614 ( 6.134 -2.316 -1.154) 6.658 9.984 ( -4.428 -4.726 10.068) 11.971 10.476 ( -3.860 -16.496 -10.312) 19.833 10.747 ( -7.670 -15.538 4.653) 17.942 11.071 ( 1.302 4.785 9.932) 11.102 11.773 ( 8.987 3.171 -10.913) 14.488 12.281 ( -0.527 -7.632 -2.661) 8.100 12.446 ( 6.306 -1.984 5.541) 8.626 12.475 ( -1.435 -12.138 0.408) 12.229 12.788 ( 2.799 -6.972 0.145) 7.514 13.461 ( -12.082 6.471 8.533) 16.145 14.154 ( -0.761 0.232 -1.270) 1.499 14.606 ( 1.098 1.469 4.922) 5.253 14.837 ( -4.205 4.341 -4.895) 7.778 15.112 ( -0.077 -7.097 -1.897) 7.346 15.729 ( 1.698 2.765 -4.437) 5.497 21.206 ( 4.417 9.649 0.887) 10.649 21.233 ( 1.522 0.138 -1.198) 1.942 21.565 ( -1.359 0.202 2.444) 2.804 22.484 ( 1.616 1.515 -2.976) 3.710 22.624 ( -0.243 -0.143 0.392) 0.483 23.141 ( -0.681 -0.929 -1.726) 2.075 23.151 ( -3.522 14.100 10.614) 17.996 24.314 ( -4.645 4.085 9.863) 11.642 24.734 ( 2.637 -14.807 2.604) 15.264 26.225 ( 2.084 -1.157 -2.498) 3.453 26.333 ( 1.069 2.201 -1.993) 3.155 26.758 ( -0.074 3.036 -12.335) 12.703 ======================= Grid point 69 (34/128) ======================= q-point: (-0.14 0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.976 15.418 26.947) 31.061 1.926 ( 4.088 16.180 29.991) 34.322 2.501 ( 5.283 14.988 -2.488) 16.085 2.640 ( -16.873 -0.651 26.595) 31.503 2.871 ( 3.622 8.091 6.873) 11.217 2.965 ( -3.376 5.128 -3.547) 7.091 3.206 ( 0.207 8.670 7.911) 11.738 3.512 ( 0.180 7.057 3.740) 7.989 3.775 ( -7.855 14.097 -1.424) 16.200 4.240 ( -2.350 -6.652 4.668) 8.460 4.397 ( 4.391 -14.673 4.289) 15.905 4.743 ( 2.274 17.360 -3.013) 17.766 5.049 ( -3.172 0.317 -5.123) 6.034 5.146 ( -2.666 10.622 2.964) 11.346 5.312 ( 2.633 7.837 -1.210) 8.355 5.526 ( -3.809 -1.309 -6.754) 7.864 5.654 ( 2.380 -6.307 0.349) 6.750 5.852 ( 2.927 -8.181 6.175) 10.659 6.056 ( 9.081 3.476 -0.815) 9.758 6.189 ( -0.009 4.237 2.129) 4.742 6.271 ( -2.551 6.301 2.820) 7.360 6.679 ( 6.695 -1.183 4.046) 7.911 6.749 ( 4.459 1.730 -4.624) 6.653 7.187 ( -1.779 -2.381 1.751) 3.450 7.375 ( -0.798 4.850 -4.161) 6.440 7.789 ( -2.895 -0.301 -5.632) 6.339 8.033 ( 1.277 9.641 -8.422) 12.865 8.261 ( 3.695 1.136 -4.945) 6.276 8.417 ( -12.208 1.107 8.514) 14.924 8.595 ( 2.051 4.423 -5.443) 7.307 9.009 ( 5.056 1.364 4.571) 6.951 9.472 ( -1.543 -6.034 -10.018) 11.796 9.760 ( 9.417 -2.248 -0.786) 9.714 10.114 ( -9.775 -16.670 7.623) 20.774 10.555 ( -2.434 -4.542 -9.085) 10.445 10.846 ( -10.858 -11.816 2.381) 16.223 11.089 ( 5.817 2.313 5.326) 8.219 11.821 ( 8.165 1.741 -6.470) 10.562 12.339 ( -3.117 -4.749 1.590) 5.899 12.479 ( -1.265 3.969 -4.319) 6.001 12.633 ( -9.933 -6.809 1.845) 12.184 12.948 ( 0.870 -7.652 3.403) 8.420 13.360 ( 3.555 -3.553 13.682) 14.576 14.108 ( -1.852 2.193 -3.527) 4.547 14.615 ( 0.007 1.057 3.599) 3.751 14.646 ( -7.263 6.403 -1.188) 9.755 15.162 ( -4.129 -3.432 -7.368) 9.116 15.668 ( 2.322 4.832 -3.676) 6.500 21.211 ( 2.296 0.242 -1.311) 2.655 21.348 ( 20.599 -1.267 -0.086) 20.639 21.560 ( -0.893 -0.073 2.641) 2.788 22.455 ( 2.001 3.923 -3.472) 5.608 22.634 ( -0.215 -1.431 1.059) 1.793 22.911 ( -10.340 6.685 15.028) 19.428 23.127 ( 2.322 5.397 0.698) 5.917 24.256 ( -6.923 -2.306 7.443) 10.423 25.053 ( 8.877 -12.139 3.602) 15.463 26.232 ( -0.369 0.914 -1.980) 2.211 26.303 ( 2.495 3.762 -1.267) 4.689 26.547 ( -7.544 8.845 -18.628) 21.958 ======================= Grid point 73 (35/128) ======================= q-point: ( 0.43 0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -21.012 0.000 48.158) 52.543 1.958 ( -1.009 0.000 0.922) 1.367 2.517 ( -6.270 0.000 21.760) 22.646 2.648 ( 1.975 -0.000 6.349) 6.649 2.730 ( -9.187 0.000 32.275) 33.557 3.452 ( 0.963 -0.000 -2.826) 2.985 3.453 ( 3.095 -0.000 4.136) 5.166 3.728 ( 3.910 -0.000 5.026) 6.368 4.207 ( 4.455 -0.000 -1.143) 4.599 4.401 ( 7.689 -0.000 2.452) 8.070 4.665 ( -7.540 0.000 -9.206) 11.900 4.837 ( 1.455 -0.000 6.864) 7.017 4.923 ( 3.003 -0.000 -13.147) 13.485 5.016 ( 7.324 -0.000 3.291) 8.029 5.633 ( -1.733 0.000 -6.236) 6.473 5.764 ( 1.613 -0.000 2.503) 2.978 5.901 ( 6.210 -0.000 -5.677) 8.414 5.993 ( 10.200 -0.000 -2.956) 10.620 6.365 ( -1.040 0.000 1.623) 1.928 6.404 ( -2.492 0.000 -8.384) 8.746 6.580 ( -15.800 0.000 3.517) 16.187 6.658 ( 19.745 -0.000 -9.714) 22.005 7.030 ( 10.950 -0.000 1.747) 11.089 7.167 ( 3.903 -0.000 -1.532) 4.193 7.332 ( -4.467 0.000 2.468) 5.104 7.451 ( -4.867 0.000 5.366) 7.245 8.312 ( 6.760 -0.000 -10.651) 12.615 8.468 ( -2.593 0.000 2.781) 3.803 8.600 ( 11.074 -0.000 -1.264) 11.146 8.960 ( -6.662 0.000 -6.946) 9.624 9.049 ( -9.643 0.000 6.211) 11.470 9.260 ( -1.745 0.000 7.184) 7.393 9.334 ( 7.090 -0.000 3.401) 7.864 10.060 ( -2.487 0.000 -10.808) 11.091 10.285 ( -13.854 0.000 4.812) 14.666 10.289 ( -1.573 0.000 9.075) 9.210 11.105 ( 1.316 -0.000 10.545) 10.626 11.704 ( 5.049 -0.000 -8.935) 10.263 11.807 ( -4.300 0.000 -4.472) 6.204 12.338 ( -0.478 0.000 5.774) 5.793 12.419 ( 7.123 -0.000 -15.618) 17.165 12.540 ( -3.751 0.000 5.657) 6.788 13.750 ( -9.251 0.000 3.627) 9.937 14.126 ( 2.001 -0.000 -0.112) 2.004 14.654 ( -0.965 0.000 10.455) 10.500 14.910 ( 1.666 -0.000 0.436) 1.722 14.944 ( 0.105 -0.000 -7.352) 7.352 15.758 ( 3.167 -0.000 -1.628) 3.561 21.233 ( 0.157 -0.000 -1.396) 1.405 21.503 ( -1.913 0.000 3.150) 3.685 21.705 ( 1.130 -0.000 -7.581) 7.665 22.498 ( 1.343 -0.000 -2.442) 2.787 22.702 ( -3.721 0.000 5.110) 6.322 22.764 ( -0.404 0.000 0.229) 0.464 23.940 ( -1.984 0.000 8.026) 8.267 23.958 ( 1.861 -0.000 1.276) 2.257 24.657 ( -3.456 0.000 6.416) 7.288 26.107 ( 0.572 -0.000 -0.253) 0.626 26.345 ( 2.000 -0.000 -3.085) 3.676 26.805 ( 8.810 -0.000 -8.289) 12.096 ======================= Grid point 74 (36/128) ======================= q-point: (-0.43 0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -13.429 -5.918 45.924) 48.212 2.065 ( -1.263 -13.304 1.918) 13.501 2.554 ( -7.679 -5.596 18.406) 20.714 2.630 ( -7.158 1.196 18.185) 19.579 2.836 ( -5.874 -8.859 12.712) 16.571 3.341 ( -0.261 11.917 5.017) 12.933 3.422 ( -1.332 4.275 2.180) 4.980 3.770 ( -2.548 1.335 3.471) 4.508 4.169 ( 1.298 7.707 -1.583) 7.974 4.424 ( -6.835 6.177 -8.354) 12.436 4.645 ( -0.409 -10.731 4.675) 11.712 4.719 ( 4.477 9.381 -2.428) 10.674 5.017 ( 2.395 -3.632 -3.697) 5.709 5.157 ( 5.771 -3.264 4.064) 7.776 5.553 ( -1.887 3.193 -7.221) 8.118 5.778 ( 3.481 3.505 2.346) 5.468 5.921 ( 6.405 6.136 -1.785) 9.048 6.075 ( -9.148 7.710 -5.676) 13.241 6.152 ( 6.497 6.730 -2.753) 9.751 6.311 ( -2.348 5.817 -2.480) 6.745 6.468 ( -2.596 -3.890 3.857) 6.062 6.879 ( 6.983 1.766 -6.911) 9.982 6.967 ( -2.650 16.141 4.656) 17.007 7.280 ( 4.447 -0.123 -1.456) 4.681 7.316 ( 8.016 -5.488 0.875) 9.754 7.565 ( -3.803 -16.094 3.812) 16.971 8.210 ( -2.904 20.022 -0.407) 20.235 8.384 ( 3.627 -4.178 -8.297) 9.973 8.794 ( 3.862 -3.152 1.333) 5.160 8.855 ( -6.264 -2.223 -5.653) 8.726 8.903 ( -13.257 -2.074 -1.131) 13.466 9.191 ( -2.632 1.824 -0.496) 3.240 9.558 ( 11.779 -0.661 9.841) 15.363 9.976 ( -6.312 -2.931 -7.920) 10.543 10.192 ( 0.630 0.231 3.027) 3.100 10.346 ( -0.063 -3.695 7.059) 7.968 11.156 ( -0.120 1.061 11.975) 12.022 11.758 ( 5.620 -3.056 -9.843) 11.740 11.891 ( 1.540 -12.901 -1.150) 13.043 12.306 ( 0.111 3.380 1.343) 3.639 12.491 ( 5.214 -0.192 -3.107) 6.072 12.574 ( 1.952 -5.139 1.196) 5.626 13.589 ( -12.677 1.817 1.803) 12.933 14.158 ( 2.741 -0.048 -2.863) 3.964 14.670 ( -0.976 1.800 10.473) 10.671 14.906 ( -2.051 0.410 -7.312) 7.606 14.929 ( -0.909 -3.348 -1.674) 3.852 15.783 ( 1.850 0.829 -0.948) 2.238 21.226 ( -0.109 -0.038 -1.741) 1.745 21.480 ( 0.106 3.005 2.540) 3.936 21.648 ( 2.853 6.613 -3.757) 8.123 22.507 ( 1.579 0.255 -2.090) 2.631 22.640 ( -1.726 1.710 1.714) 2.974 22.879 ( -0.928 -11.159 0.873) 11.231 23.684 ( -1.841 17.954 6.468) 19.172 24.232 ( -0.706 -16.426 3.729) 16.859 24.591 ( -0.259 8.030 8.390) 11.617 26.140 ( 0.705 -2.997 -0.551) 3.128 26.354 ( 0.831 -0.146 -2.873) 2.994 26.831 ( 1.616 1.425 -9.194) 9.443 ======================= Grid point 75 (37/128) ======================= q-point: (-0.29 0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -6.128 -6.609 39.774) 40.783 2.293 ( 0.765 -11.625 4.871) 12.627 2.523 ( -18.606 -2.805 20.508) 27.832 2.673 ( -3.226 -10.147 -2.078) 10.848 2.815 ( -4.570 9.762 10.282) 14.896 3.271 ( 1.370 3.195 6.131) 7.048 3.355 ( -5.288 -1.812 13.557) 14.664 3.601 ( -10.243 5.299 -4.587) 12.411 3.967 ( -10.142 8.445 -3.088) 13.554 4.312 ( 4.256 2.609 -0.641) 5.033 4.477 ( 1.166 17.602 3.956) 18.078 4.855 ( -5.676 -8.671 -0.770) 10.392 5.115 ( 5.446 -3.064 -1.460) 6.417 5.285 ( 2.136 -3.776 1.664) 4.646 5.433 ( -0.025 4.404 -3.706) 5.756 5.668 ( -10.199 12.361 1.279) 16.077 5.796 ( 5.662 9.118 -2.925) 11.125 5.869 ( 3.388 10.047 5.001) 11.723 6.161 ( 0.492 1.938 -1.968) 2.806 6.232 ( 2.815 2.016 0.887) 3.574 6.573 ( 3.030 -6.033 0.776) 6.795 6.670 ( -2.187 17.015 0.940) 17.180 6.830 ( 2.343 4.619 -5.975) 7.908 7.251 ( 1.409 5.856 4.201) 7.343 7.546 ( -1.444 -8.421 -3.967) 9.420 7.743 ( 1.397 -3.245 1.406) 3.803 7.945 ( 2.993 6.365 -1.481) 7.187 8.389 ( -2.195 2.565 -6.082) 6.956 8.601 ( -19.443 4.662 0.213) 19.995 8.713 ( -5.807 -1.717 -5.390) 8.107 8.992 ( 2.998 -5.132 -4.384) 7.386 9.232 ( 5.679 -4.559 0.106) 7.284 9.683 ( 2.354 -0.400 -4.975) 5.518 9.925 ( 2.152 3.692 7.807) 8.900 10.306 ( 5.457 -6.805 -2.128) 8.979 10.475 ( -1.794 -9.933 5.409) 11.452 11.177 ( -0.329 1.881 11.403) 11.561 11.863 ( 8.348 -1.746 -10.250) 13.334 12.128 ( -0.651 -11.826 2.372) 12.079 12.301 ( 0.108 -4.188 -0.204) 4.194 12.570 ( 8.065 1.266 3.086) 8.727 12.719 ( 3.326 -6.934 -0.224) 7.694 13.382 ( -11.258 2.094 0.705) 11.473 14.167 ( 1.897 1.391 -3.718) 4.399 14.667 ( -1.546 2.214 10.111) 10.466 14.797 ( -6.553 2.479 -3.444) 7.807 14.979 ( -0.635 -5.879 -5.698) 8.212 15.770 ( 0.387 1.905 -1.894) 2.714 21.218 ( -0.139 -0.131 -1.845) 1.855 21.459 ( 6.461 4.837 1.963) 8.306 21.592 ( 3.372 4.307 -1.238) 5.609 22.515 ( 1.847 0.686 -1.901) 2.738 22.614 ( -1.074 -0.017 0.264) 1.107 23.038 ( -1.003 -9.160 -1.312) 9.308 23.374 ( -6.669 18.006 8.954) 21.187 24.326 ( -7.302 2.088 5.427) 9.335 24.675 ( 11.097 -8.081 8.800) 16.306 26.198 ( 0.436 -3.078 -0.985) 3.261 26.350 ( 0.339 -0.109 -2.653) 2.677 26.721 ( -5.325 3.523 -11.115) 12.818 ======================= Grid point 76 (38/128) ======================= q-point: (-0.14 0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -4.260 -2.854 28.754) 29.208 2.257 ( -13.644 6.237 15.110) 21.293 2.534 ( -1.717 -8.849 5.121) 10.367 2.594 ( -8.791 11.191 20.886) 25.273 2.763 ( -3.715 -6.942 -4.410) 9.025 3.182 ( 3.548 11.952 -0.763) 12.491 3.382 ( -0.890 5.272 5.535) 7.696 3.525 ( -5.697 -10.943 6.353) 13.877 3.701 ( -11.468 -0.202 -4.917) 12.479 4.242 ( 0.510 14.376 8.819) 16.873 4.377 ( 2.198 -2.032 3.380) 4.515 4.874 ( -3.529 -4.329 1.576) 5.803 5.081 ( 1.747 9.602 -3.908) 10.513 5.280 ( -3.388 6.162 -2.953) 7.627 5.422 ( -1.011 2.694 4.459) 5.307 5.451 ( -2.613 0.158 -1.474) 3.004 5.684 ( 5.666 9.732 1.151) 11.320 5.854 ( 3.391 -0.661 2.645) 4.351 6.157 ( -1.541 -1.925 -2.791) 3.725 6.247 ( 2.462 3.508 2.971) 5.214 6.425 ( 2.039 11.841 1.687) 12.133 6.726 ( 5.351 -4.684 -1.882) 7.356 6.827 ( 6.185 -0.538 -2.678) 6.762 7.184 ( -2.396 3.892 3.163) 5.558 7.442 ( -5.398 5.578 -0.200) 7.765 7.767 ( 2.432 5.131 -8.101) 9.893 8.017 ( 0.564 -6.108 -2.506) 6.626 8.255 ( -11.352 4.138 -0.289) 12.086 8.311 ( -6.094 -0.675 1.422) 6.294 8.669 ( 3.125 1.492 -6.485) 7.352 9.081 ( 2.424 -2.391 0.210) 3.411 9.358 ( 2.009 -2.394 -6.771) 7.458 9.669 ( -8.229 -10.381 -8.245) 15.604 9.976 ( 8.163 5.076 7.896) 12.440 10.485 ( 3.811 -7.548 -0.578) 8.476 10.596 ( -3.361 -5.521 4.991) 8.167 11.217 ( 4.445 0.832 7.315) 8.600 11.920 ( 4.983 2.285 -6.809) 8.742 12.203 ( -6.631 -4.159 5.025) 9.302 12.415 ( -1.525 -8.367 -2.520) 8.871 12.594 ( 1.623 8.573 -2.750) 9.148 12.844 ( -1.217 -5.717 1.492) 6.033 13.362 ( 4.391 -7.842 5.818) 10.706 14.135 ( 1.577 3.247 -4.631) 5.872 14.634 ( -5.888 4.051 4.467) 8.428 14.651 ( -3.596 2.090 6.838) 8.003 15.028 ( -0.393 -4.699 -7.662) 8.996 15.730 ( 0.512 2.118 -3.063) 3.759 21.211 ( 0.200 -0.136 -1.812) 1.828 21.538 ( 1.668 -1.366 3.610) 4.205 21.616 ( 13.816 1.722 -7.178) 15.664 22.517 ( 2.196 1.750 -2.333) 3.651 22.610 ( -0.887 -1.009 0.208) 1.360 22.959 ( -11.774 10.916 10.466) 19.166 23.188 ( -0.227 -0.387 2.050) 2.098 24.202 ( -5.667 3.142 7.652) 10.027 25.048 ( 12.144 -10.493 7.009) 17.512 26.206 ( -3.038 0.422 -2.206) 3.778 26.347 ( 0.494 -0.196 -4.718) 4.748 26.506 ( -5.207 5.554 -10.370) 12.865 ======================= Grid point 81 (39/128) ======================= q-point: (-0.43 -0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -8.882 0.000 41.592) 42.530 1.929 ( -1.651 0.000 -0.520) 1.731 2.448 ( -15.972 0.000 24.393) 29.157 2.620 ( -8.026 0.000 5.085) 9.501 2.691 ( -7.648 0.000 21.302) 22.634 3.382 ( -9.506 0.000 7.559) 12.145 3.446 ( 0.752 -0.000 -2.967) 3.061 3.768 ( -8.010 0.000 5.579) 9.762 4.170 ( -9.965 0.000 -3.621) 10.603 4.430 ( 1.913 -0.000 -5.545) 5.866 4.438 ( -6.760 0.000 3.993) 7.851 4.895 ( 2.501 -0.000 -5.319) 5.878 4.991 ( 6.287 -0.000 2.686) 6.837 5.225 ( 3.517 -0.000 3.439) 4.919 5.551 ( -0.685 0.000 -4.580) 4.631 5.858 ( 2.857 -0.000 0.940) 3.007 5.861 ( -12.856 0.000 -8.814) 15.588 6.130 ( 7.021 -0.000 -2.900) 7.597 6.246 ( -4.070 0.000 0.181) 4.074 6.351 ( -3.220 0.000 2.029) 3.806 6.404 ( 11.564 -0.000 -8.280) 14.222 7.021 ( 8.093 -0.000 -5.257) 9.651 7.181 ( -4.494 0.000 -4.237) 6.177 7.260 ( -9.689 0.000 13.055) 16.258 7.277 ( 2.975 -0.000 0.320) 2.993 7.436 ( 7.293 -0.000 11.227) 13.388 8.307 ( -1.991 0.000 -3.645) 4.154 8.378 ( -7.598 0.000 0.391) 7.608 8.595 ( -14.263 0.000 -13.836) 19.871 8.695 ( -3.275 0.000 -1.553) 3.624 8.796 ( -2.655 0.000 -4.708) 5.405 9.224 ( 3.351 -0.000 2.892) 4.426 9.785 ( -8.163 0.000 -13.058) 15.400 9.854 ( 18.683 -0.000 15.587) 24.331 10.166 ( 1.171 -0.000 3.406) 3.602 10.482 ( 6.898 -0.000 6.382) 9.397 11.206 ( -1.436 0.000 12.987) 13.066 11.758 ( 3.762 -0.000 -6.778) 7.752 11.826 ( 6.137 -0.000 -1.821) 6.401 12.367 ( -1.321 0.000 6.656) 6.786 12.522 ( 8.878 -0.000 -13.479) 16.141 12.618 ( 5.980 -0.000 8.989) 10.796 13.418 ( -12.490 0.000 -3.913) 13.089 14.187 ( 3.101 -0.000 -3.604) 4.755 14.711 ( -2.208 0.000 11.673) 11.881 14.808 ( -8.318 0.000 -1.873) 8.526 14.897 ( 2.235 -0.000 -7.766) 8.082 15.799 ( -0.198 0.000 -0.623) 0.654 21.215 ( -0.161 0.000 -1.891) 1.898 21.504 ( -0.229 0.000 2.982) 2.990 21.767 ( 7.042 -0.000 -6.758) 9.760 22.525 ( 1.890 -0.000 -1.604) 2.479 22.638 ( -3.422 0.000 3.157) 4.656 22.770 ( 0.551 -0.000 0.533) 0.767 23.923 ( -4.003 0.000 7.626) 8.613 24.016 ( 0.366 -0.000 3.680) 3.698 24.706 ( 2.031 -0.000 9.275) 9.495 26.118 ( 0.257 -0.000 -0.080) 0.269 26.343 ( -0.327 0.000 -2.791) 2.810 26.778 ( -5.013 0.000 -10.007) 11.192 ======================= Grid point 82 (40/128) ======================= q-point: (-0.29 -0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -7.267 -7.742 23.674) 25.946 2.041 ( -5.243 -17.333 4.162) 18.581 2.284 ( -20.713 -0.510 16.884) 26.727 2.519 ( -7.499 -2.209 5.939) 9.817 2.777 ( -5.504 -7.653 16.188) 18.732 3.263 ( -12.812 1.189 17.804) 21.967 3.386 ( -4.280 4.937 2.554) 7.015 3.534 ( -13.723 4.660 -2.743) 14.750 3.929 ( -9.317 10.340 -1.079) 13.960 4.351 ( -0.204 -1.064 -1.512) 1.860 4.561 ( -6.828 -11.204 3.668) 13.624 4.813 ( 4.754 12.388 -1.885) 13.403 5.131 ( 5.601 -2.557 0.638) 6.190 5.288 ( 2.786 -2.366 1.169) 3.838 5.455 ( -4.865 4.253 -4.644) 7.958 5.601 ( -14.969 2.251 -5.646) 16.156 5.891 ( 3.835 0.597 -2.552) 4.645 6.119 ( 2.428 6.785 9.354) 11.808 6.256 ( -0.890 7.238 -0.675) 7.323 6.291 ( 4.450 0.566 -3.422) 5.642 6.540 ( 8.326 -2.718 -5.975) 10.602 6.894 ( -2.838 9.733 2.783) 10.513 6.963 ( -0.536 16.206 -3.818) 16.658 7.288 ( -8.107 -8.586 4.090) 12.497 7.371 ( -0.006 -3.374 -5.098) 6.113 7.636 ( 3.117 -6.335 15.358) 16.903 8.182 ( -2.398 6.843 -3.317) 7.973 8.252 ( -17.087 -3.558 -4.863) 18.118 8.355 ( -7.055 -0.324 -7.478) 10.286 8.589 ( -1.700 2.874 -0.290) 3.352 8.909 ( 3.503 -7.981 -5.267) 10.184 9.283 ( 4.470 -0.393 1.165) 4.636 9.597 ( -6.383 1.392 -13.907) 15.364 10.192 ( 17.056 1.409 -2.725) 17.329 10.279 ( 5.630 -5.382 18.852) 20.397 10.513 ( 3.466 5.689 3.647) 7.595 11.242 ( 0.679 1.126 11.707) 11.780 11.854 ( 4.590 -6.991 -7.902) 11.506 11.965 ( 2.272 -7.658 2.833) 8.475 12.331 ( -0.082 4.087 4.210) 5.868 12.645 ( 6.860 -5.192 -6.986) 11.082 12.780 ( 11.204 2.056 8.747) 14.362 13.237 ( -8.161 -1.091 -7.501) 11.138 14.203 ( 2.100 0.968 -3.088) 3.858 14.672 ( -10.798 -1.313 -0.857) 10.911 14.713 ( -2.772 1.456 10.128) 10.601 14.916 ( 3.167 -1.059 -5.176) 6.160 15.771 ( -2.031 0.623 -1.910) 2.857 21.208 ( 0.193 -0.102 -1.812) 1.825 21.517 ( 0.178 -0.246 2.763) 2.780 21.782 ( 8.844 6.322 -8.768) 13.967 22.540 ( 1.263 0.400 -1.195) 1.784 22.600 ( -1.548 0.328 0.912) 1.827 22.867 ( -0.297 -9.103 0.063) 9.108 23.620 ( -7.614 21.634 9.222) 24.719 24.220 ( -1.906 -9.886 4.156) 10.892 24.797 ( 8.005 -1.491 11.680) 14.238 26.147 ( -0.006 -3.037 -0.225) 3.045 26.322 ( -1.413 -0.409 -3.052) 3.388 26.609 ( -9.980 1.398 -11.104) 14.995 ======================= Grid point 83 (41/128) ======================= q-point: (-0.14 -0.43 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -14.180 -10.003 1.518) 17.419 1.962 ( -26.962 -8.716 10.368) 30.173 2.393 ( -1.236 -14.766 21.104) 25.786 2.527 ( -3.896 -5.738 0.503) 6.954 2.790 ( -10.185 3.776 15.909) 19.263 3.192 ( -9.688 -13.248 11.677) 20.143 3.283 ( -7.925 0.201 9.247) 12.180 3.406 ( -1.191 0.414 -0.386) 1.318 3.646 ( -5.463 9.757 1.738) 11.317 4.366 ( -1.524 -1.251 -1.313) 2.369 4.552 ( -0.375 11.443 2.761) 11.777 4.710 ( -2.604 -3.344 2.985) 5.184 5.197 ( 2.728 1.353 2.445) 3.905 5.240 ( -9.424 4.686 -8.043) 13.246 5.394 ( -3.489 -1.599 -0.555) 3.878 5.427 ( 0.180 -2.584 -0.185) 2.597 5.925 ( 3.482 1.149 -1.237) 3.869 6.018 ( 0.679 16.787 4.591) 17.416 6.099 ( -2.151 3.833 0.450) 4.419 6.331 ( 1.087 2.048 4.132) 4.738 6.583 ( -4.641 6.543 3.148) 8.617 6.707 ( 4.648 0.502 -8.753) 9.924 6.884 ( 4.119 -0.756 -3.470) 5.438 7.218 ( -8.913 3.427 2.408) 9.849 7.317 ( -6.599 -0.671 -5.226) 8.444 7.822 ( 1.098 -5.540 11.021) 12.384 7.981 ( -11.060 3.441 -4.227) 12.330 8.149 ( 2.024 -2.162 -4.189) 5.130 8.277 ( 1.945 3.853 -2.876) 5.187 8.620 ( -0.100 -6.187 0.259) 6.193 8.999 ( -2.440 -4.890 -4.063) 6.810 9.388 ( 6.738 -1.073 -2.574) 7.292 9.464 ( -2.152 -1.125 -12.614) 12.846 10.228 ( 4.363 8.538 -3.981) 10.381 10.461 ( 4.519 -1.783 6.650) 8.236 10.635 ( 10.860 -1.233 11.339) 15.749 11.311 ( 4.931 -0.318 7.192) 8.726 11.941 ( -2.148 -0.851 -4.269) 4.854 12.079 ( -2.920 -4.575 7.542) 9.292 12.325 ( 1.439 -1.802 -0.011) 2.306 12.754 ( 1.309 10.645 -6.642) 12.615 12.776 ( 2.009 -3.613 0.602) 4.178 13.324 ( 8.322 -9.035 1.706) 12.402 14.194 ( 2.339 2.095 -2.407) 3.957 14.580 ( -6.409 -2.744 1.819) 7.205 14.669 ( -4.920 2.878 11.211) 12.577 14.974 ( 4.800 -2.062 -4.454) 6.865 15.718 ( -2.496 0.126 -3.878) 4.613 21.206 ( 0.564 -0.029 -1.771) 1.859 21.536 ( -0.599 -0.604 2.565) 2.703 21.776 ( 8.461 3.689 -14.466) 17.160 22.533 ( -1.163 -0.218 -1.581) 1.975 22.597 ( 0.931 0.083 -0.291) 0.979 22.956 ( -5.315 -0.841 1.672) 5.635 23.210 ( -10.492 12.267 13.412) 20.987 24.239 ( -2.512 3.349 5.955) 7.279 25.113 ( 12.937 -8.697 10.195) 18.626 26.153 ( -4.271 1.272 -4.264) 6.168 26.274 ( -3.316 -2.390 -7.119) 8.208 26.458 ( -2.438 -1.881 -5.105) 5.962 ======================= Grid point 89 (42/128) ======================= q-point: (-0.29 -0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -20.988 0.000 15.361) 26.009 1.729 ( -15.889 0.000 -2.636) 16.107 2.087 ( -14.971 0.000 7.835) 16.897 2.412 ( -5.532 0.000 3.502) 6.548 2.736 ( -6.194 0.000 25.722) 26.457 3.108 ( -21.830 0.000 21.084) 30.350 3.275 ( -18.626 0.000 5.898) 19.538 3.393 ( -4.129 0.000 -0.233) 4.136 3.999 ( -3.375 0.000 4.009) 5.241 4.245 ( -6.084 0.000 6.035) 8.570 4.417 ( -2.372 0.000 -2.519) 3.460 4.971 ( 3.004 -0.000 -2.392) 3.841 5.209 ( 7.425 -0.000 -3.412) 8.171 5.277 ( -2.841 0.000 3.261) 4.325 5.345 ( -12.159 0.000 -11.329) 16.619 5.406 ( -7.903 0.000 0.900) 7.955 5.916 ( 2.009 -0.000 -4.796) 5.200 6.252 ( 1.895 -0.000 5.084) 5.426 6.257 ( -4.948 0.000 11.111) 12.163 6.344 ( 5.478 -0.000 -8.247) 9.901 6.634 ( 9.233 -0.000 -15.872) 18.362 6.942 ( -14.235 0.000 18.905) 23.665 7.092 ( 1.568 -0.000 -11.063) 11.174 7.119 ( -2.802 0.000 -7.407) 7.920 7.214 ( -7.191 0.000 3.825) 8.145 7.781 ( 8.123 -0.000 17.958) 19.709 7.966 ( -12.838 0.000 -7.630) 14.934 8.082 ( -6.857 0.000 -6.250) 9.278 8.223 ( -6.357 0.000 -0.719) 6.398 8.716 ( 2.842 -0.000 1.883) 3.409 8.853 ( 4.168 -0.000 -5.192) 6.658 9.325 ( 2.458 -0.000 -0.056) 2.458 9.462 ( -3.502 0.000 -15.275) 15.671 10.293 ( 7.450 -0.000 -3.576) 8.264 10.560 ( 18.753 -0.000 17.719) 25.800 10.586 ( -4.375 0.000 0.981) 4.484 11.371 ( 7.421 -0.000 11.855) 13.986 11.776 ( 0.694 -0.000 -4.491) 4.545 11.982 ( 3.443 -0.000 5.941) 6.866 12.389 ( -1.800 0.000 8.836) 9.018 12.679 ( 8.182 -0.000 -4.065) 9.136 13.058 ( -6.415 0.000 -15.468) 16.745 13.074 ( 19.770 -0.000 7.904) 21.291 14.210 ( -1.728 0.000 0.137) 1.734 14.488 ( -9.565 0.000 -5.660) 11.114 14.728 ( -3.484 0.000 10.793) 11.341 14.958 ( 4.635 -0.000 0.232) 4.641 15.718 ( -4.463 0.000 -2.923) 5.335 21.206 ( 0.798 -0.000 -1.585) 1.775 21.524 ( -0.219 0.000 2.247) 2.258 21.890 ( 6.887 -0.000 -16.479) 17.860 22.532 ( -2.734 0.000 -0.653) 2.811 22.600 ( 1.009 -0.000 0.443) 1.102 22.799 ( 1.003 -0.000 0.648) 1.194 23.877 ( -4.223 0.000 11.567) 12.314 24.025 ( -2.214 0.000 4.074) 4.636 24.933 ( 6.978 -0.000 13.991) 15.635 26.117 ( -0.320 0.000 -0.026) 0.321 26.286 ( -1.840 0.000 -2.577) 3.167 26.384 ( -14.993 0.000 -13.617) 20.254 ======================= Grid point 90 (43/128) ======================= q-point: (-0.14 -0.29 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -34.107 -6.312 -2.947) 34.811 1.434 ( -22.537 -10.986 4.284) 25.435 2.057 ( -17.399 -22.337 1.879) 28.376 2.419 ( -2.604 -4.214 3.528) 6.082 2.700 ( -15.947 1.398 34.131) 37.699 2.999 ( -5.370 -5.676 16.638) 18.381 3.163 ( -12.089 -3.860 16.305) 20.661 3.339 ( -3.896 -1.787 1.691) 4.608 3.844 ( 0.519 12.560 5.312) 13.647 4.284 ( -3.518 -2.673 -1.157) 4.567 4.419 ( -5.521 -9.655 3.415) 11.635 4.855 ( -4.394 8.851 -5.946) 11.532 5.126 ( -7.375 4.162 -4.205) 9.455 5.240 ( 0.957 -0.258 2.511) 2.700 5.306 ( -4.879 -1.207 -1.327) 5.198 5.373 ( 2.313 -5.476 -2.598) 6.487 5.914 ( -0.628 -0.675 -5.029) 5.113 6.155 ( -2.866 8.281 -3.389) 9.395 6.242 ( -0.957 4.138 8.518) 9.518 6.385 ( 1.179 1.056 1.594) 2.246 6.651 ( -1.222 8.467 -2.227) 8.840 6.687 ( -10.829 0.472 -2.907) 11.222 6.878 ( -8.285 11.978 -5.657) 15.624 7.097 ( 0.067 -4.449 -7.719) 8.910 7.289 ( 2.144 -3.827 3.487) 5.604 7.765 ( -6.443 0.642 -0.325) 6.483 7.956 ( 3.681 2.702 10.281) 11.249 8.056 ( 0.330 -5.072 -5.010) 7.137 8.236 ( -3.071 -9.852 0.454) 10.330 8.694 ( 4.161 7.301 2.973) 8.914 8.874 ( -3.503 -2.884 -4.519) 6.404 9.409 ( 4.590 -1.879 -7.360) 8.875 9.427 ( 6.082 -5.409 -7.161) 10.841 10.338 ( 0.688 6.141 -4.617) 7.714 10.490 ( -0.509 -1.477 0.519) 1.646 10.894 ( 15.310 -2.932 10.230) 18.645 11.459 ( 8.085 6.302 3.574) 10.856 11.836 ( -3.117 -4.215 3.856) 6.508 12.085 ( 3.481 -1.084 14.466) 14.919 12.368 ( -0.818 3.537 7.321) 8.171 12.785 ( 1.821 0.182 0.935) 2.055 12.871 ( 3.285 5.468 -15.568) 16.824 13.390 ( 13.191 -1.077 3.355) 13.653 14.206 ( -1.349 -4.528 3.451) 5.851 14.415 ( -2.984 -6.058 -4.915) 8.353 14.697 ( -4.373 3.031 9.558) 10.939 15.044 ( 6.969 -0.032 3.352) 7.733 15.637 ( -5.207 -0.992 -4.166) 6.742 21.213 ( 1.149 0.237 -1.521) 1.921 21.530 ( -0.686 -0.198 1.990) 2.115 21.824 ( 0.731 4.602 -26.127) 26.540 22.476 ( -4.668 -0.525 -1.699) 4.995 22.621 ( 1.794 0.229 -0.355) 1.843 22.859 ( -0.215 -4.809 0.538) 4.844 23.437 ( -13.576 30.426 18.836) 38.274 24.238 ( 1.162 -7.009 5.076) 8.732 25.208 ( 12.348 -8.956 13.894) 20.633 26.062 ( -10.225 1.670 -13.945) 17.372 26.151 ( -1.764 -4.183 -2.146) 5.021 26.321 ( -1.910 -7.887 -3.547) 8.856 ======================= Grid point 97 (44/128) ======================= q-point: (-0.14 -0.14 0.11) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -32.021 0.000 3.318) 32.192 1.001 ( -31.935 0.000 3.131) 32.088 1.400 ( -37.245 0.000 13.514) 39.621 2.382 ( -0.818 0.000 2.808) 2.925 2.688 ( -10.296 0.000 36.207) 37.643 2.993 ( 0.550 -0.000 10.679) 10.694 3.025 ( -14.803 0.000 26.200) 30.093 3.282 ( -2.850 0.000 1.861) 3.404 3.973 ( -0.927 0.000 6.357) 6.424 4.203 ( -11.096 0.000 -3.585) 11.661 4.291 ( 5.017 -0.000 6.560) 8.259 4.692 ( -14.930 0.000 -12.814) 19.675 5.186 ( 1.756 -0.000 0.130) 1.760 5.199 ( -3.744 0.000 -0.041) 3.744 5.256 ( -1.914 0.000 1.677) 2.544 5.317 ( 1.319 -0.000 -1.352) 1.888 5.897 ( 1.309 -0.000 -6.748) 6.874 6.115 ( -6.063 0.000 -7.090) 9.329 6.327 ( -0.257 0.000 2.265) 2.279 6.339 ( -3.663 0.000 -0.042) 3.664 6.559 ( -2.743 0.000 -5.366) 6.027 6.650 ( -17.034 0.000 -4.321) 17.574 6.926 ( -5.896 0.000 -3.194) 6.705 7.012 ( 7.277 -0.000 -6.702) 9.894 7.309 ( 7.542 -0.000 -7.160) 10.399 7.686 ( -6.768 0.000 -3.787) 7.755 7.993 ( 2.122 -0.000 -0.199) 2.132 8.041 ( -6.107 0.000 2.029) 6.435 8.259 ( 14.513 -0.000 23.412) 27.545 8.750 ( -4.821 0.000 -6.157) 7.820 8.827 ( 1.949 -0.000 4.646) 5.038 9.370 ( 1.758 -0.000 -2.389) 2.966 9.460 ( 9.122 -0.000 -8.305) 12.337 10.327 ( -11.186 0.000 1.414) 11.275 10.498 ( 8.486 -0.000 -1.980) 8.714 11.001 ( 4.951 -0.000 -5.628) 7.496 11.677 ( 7.659 -0.000 -4.452) 8.859 11.799 ( 1.044 -0.000 12.003) 12.048 12.263 ( 7.780 -0.000 14.029) 16.042 12.499 ( 6.516 -0.000 33.613) 34.239 12.765 ( -1.199 0.000 -13.408) 13.461 12.944 ( 8.407 -0.000 -4.752) 9.657 13.679 ( 17.419 -0.000 3.977) 17.867 14.014 ( -9.970 0.000 3.984) 10.737 14.350 ( 1.259 -0.000 -4.420) 4.596 14.711 ( -3.328 0.000 7.233) 7.962 15.183 ( 9.207 -0.000 8.842) 12.765 15.523 ( -6.447 0.000 -3.622) 7.395 21.229 ( 1.450 -0.000 -1.314) 1.957 21.530 ( -0.566 0.000 2.351) 2.418 21.644 ( -14.644 0.000 -43.705) 46.093 22.388 ( -5.363 0.000 -1.819) 5.663 22.648 ( 1.676 -0.000 0.687) 1.811 22.828 ( 0.613 -0.000 0.490) 0.785 23.972 ( -3.336 0.000 2.696) 4.289 24.006 ( 6.453 -0.000 22.069) 22.993 25.326 ( 10.180 -0.000 18.426) 21.051 25.736 ( -20.253 0.000 -23.108) 30.727 26.100 ( -0.757 0.000 -0.268) 0.803 26.215 ( -1.221 0.000 -2.529) 2.808 ======================= Grid point 98 (45/128) ======================= q-point: ( 0.00 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 8.553 -0.000 27.048) 28.368 1.338 ( 17.568 -0.000 30.494) 35.192 2.496 ( 0.092 -0.000 5.668) 5.669 2.508 ( 14.861 -0.000 45.891) 48.238 3.076 ( -1.143 0.000 3.021) 3.230 3.184 ( -10.123 0.000 3.763) 10.799 3.317 ( -3.091 0.000 3.404) 4.599 3.568 ( -19.099 0.000 38.964) 43.393 3.833 ( -13.515 0.000 -14.044) 19.491 3.935 ( -13.538 0.000 23.309) 26.956 4.385 ( 3.135 -0.000 16.564) 16.858 4.531 ( 7.775 -0.000 -5.275) 9.395 4.933 ( -1.277 0.000 -9.951) 10.033 5.020 ( -4.503 0.000 -14.739) 15.411 5.152 ( -1.944 0.000 0.507) 2.009 5.562 ( 0.405 -0.000 -7.462) 7.473 5.580 ( 0.732 -0.000 -3.690) 3.762 5.905 ( 2.836 -0.000 4.153) 5.029 5.956 ( 3.440 -0.000 3.498) 4.906 6.316 ( 4.302 -0.000 -9.090) 10.057 6.364 ( -6.661 0.000 1.158) 6.761 6.546 ( 9.073 -0.000 -0.861) 9.114 6.856 ( -12.034 0.000 8.685) 14.841 6.986 ( 3.902 -0.000 -11.555) 12.196 7.286 ( 6.386 -0.000 -2.161) 6.742 7.445 ( 2.452 -0.000 -2.414) 3.441 7.981 ( -2.604 0.000 -3.397) 4.281 8.037 ( -0.120 0.000 3.272) 3.274 8.622 ( 2.078 -0.000 -3.092) 3.725 8.857 ( -0.675 0.000 -6.377) 6.412 8.915 ( 0.313 -0.000 3.619) 3.633 9.310 ( 1.719 -0.000 -4.570) 4.883 9.702 ( 12.568 -0.000 -0.081) 12.568 10.423 ( -14.203 0.000 -12.650) 19.020 10.687 ( 10.639 -0.000 -2.354) 10.896 10.717 ( 11.438 -0.000 13.559) 17.739 11.593 ( 6.694 -0.000 -9.365) 11.511 11.967 ( -12.942 0.000 -2.269) 13.139 12.137 ( -12.468 0.000 -5.692) 13.706 12.424 ( 2.394 -0.000 -10.933) 11.192 13.163 ( 10.092 -0.000 3.247) 10.602 13.164 ( -19.557 0.000 13.719) 23.889 14.080 ( 5.618 -0.000 6.475) 8.573 14.248 ( -19.117 0.000 -12.035) 22.589 14.475 ( 5.026 -0.000 4.905) 7.023 14.586 ( -11.981 0.000 2.158) 12.173 14.756 ( -5.249 0.000 4.281) 6.773 15.428 ( 5.455 -0.000 -2.330) 5.932 21.033 ( 19.115 -0.000 0.480) 19.121 21.208 ( 0.648 -0.000 -2.132) 2.229 21.646 ( -0.276 0.000 5.910) 5.916 22.253 ( 0.890 -0.000 -2.900) 3.034 22.780 ( 2.453 -0.000 3.457) 4.239 22.836 ( -0.920 0.000 0.133) 0.930 23.934 ( -3.725 0.000 2.008) 4.232 24.528 ( -18.485 0.000 6.313) 19.533 24.963 ( 24.803 -0.000 -7.008) 25.774 25.693 ( -11.233 0.000 6.364) 12.910 26.058 ( 0.156 -0.000 -1.271) 1.281 26.102 ( 1.584 -0.000 -5.952) 6.159 ======================= Grid point 99 (46/128) ======================= q-point: ( 0.14 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 13.519 -12.949 21.001) 28.133 1.866 ( 22.809 -13.179 21.612) 34.074 2.533 ( -0.082 0.165 7.043) 7.045 2.891 ( 2.004 0.592 19.292) 19.404 2.971 ( -4.925 5.597 0.894) 7.509 3.183 ( 4.308 -5.992 12.037) 14.120 3.352 ( -0.002 -7.367 4.572) 8.670 3.528 ( -11.578 -2.026 41.015) 42.666 3.688 ( -10.543 -3.184 10.880) 15.481 3.991 ( -4.849 -14.917 5.628) 16.665 4.468 ( 0.553 1.701 8.228) 8.420 4.655 ( 7.104 -4.660 -5.989) 10.395 4.832 ( -0.854 4.258 -4.670) 6.378 4.978 ( 0.705 -7.645 -10.525) 13.028 5.139 ( 0.810 1.692 0.944) 2.100 5.486 ( -0.136 7.329 -7.221) 10.290 5.612 ( 4.924 -4.751 -1.542) 7.014 5.982 ( 6.936 1.413 1.503) 7.236 6.075 ( 2.746 -4.489 3.953) 6.582 6.224 ( -5.605 2.662 -1.715) 6.438 6.361 ( -0.072 -1.837 -8.724) 8.916 6.685 ( -6.258 5.203 8.513) 11.778 6.733 ( 13.627 -1.767 -2.351) 13.940 7.013 ( 2.468 -4.219 -9.127) 10.353 7.299 ( -1.090 2.657 -0.256) 2.884 7.598 ( 8.583 -6.861 -1.368) 11.073 7.856 ( -7.169 4.450 -1.007) 8.498 8.105 ( 4.632 -3.542 0.439) 5.848 8.546 ( -1.900 7.904 -5.536) 9.835 8.759 ( -0.705 6.519 3.072) 7.241 8.952 ( 3.152 -2.562 -3.012) 5.056 9.360 ( 1.065 -2.715 -5.272) 6.025 9.831 ( 9.781 3.671 -0.791) 10.477 10.136 ( -18.026 -0.709 -12.009) 21.671 10.788 ( 12.069 7.082 2.786) 14.268 10.962 ( 6.678 -6.146 7.062) 11.500 11.479 ( -13.560 17.420 1.145) 22.105 11.704 ( 1.906 2.030 -7.346) 7.856 12.045 ( -15.281 -12.529 -6.532) 20.812 12.366 ( -0.896 0.751 -10.264) 10.331 12.904 ( -23.283 0.665 17.279) 29.002 13.276 ( 4.189 5.575 3.820) 7.951 13.773 ( -25.212 -5.178 -8.249) 27.027 14.118 ( 9.993 10.455 11.026) 18.186 14.515 ( 3.791 0.665 5.118) 6.404 14.671 ( 0.014 -0.879 4.425) 4.512 14.851 ( 1.217 -10.046 -1.967) 10.309 15.494 ( 4.726 -1.315 -4.639) 6.752 21.195 ( 1.681 1.190 -2.379) 3.147 21.298 ( 17.390 0.511 -7.955) 19.130 21.666 ( -0.808 0.025 5.943) 5.998 22.284 ( 3.433 -1.541 -3.385) 5.062 22.751 ( 0.162 4.124 1.857) 4.525 22.909 ( 0.576 -5.666 1.057) 5.792 23.643 ( -4.265 21.532 11.807) 24.925 24.436 ( -10.715 -5.825 6.721) 13.925 25.339 ( 23.404 1.063 -8.214) 24.827 25.621 ( -15.305 -14.876 0.172) 21.344 26.102 ( 1.239 -4.091 -1.409) 4.500 26.118 ( 2.562 -2.330 -5.694) 6.665 ======================= Grid point 100 (47/128) ======================= q-point: ( 0.29 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 11.697 -14.027 15.815) 24.159 2.464 ( 14.443 -17.191 13.902) 26.408 2.511 ( -0.903 5.295 0.737) 5.422 2.699 ( -7.626 6.052 -2.152) 9.971 2.916 ( -7.577 2.613 11.891) 14.340 3.383 ( 3.458 -6.570 5.084) 8.998 3.515 ( -1.433 2.623 18.625) 18.864 3.593 ( -12.023 -8.868 29.742) 33.283 3.754 ( 3.787 -0.045 18.016) 18.410 4.200 ( 2.524 -6.347 -4.460) 8.157 4.518 ( -0.390 -12.717 4.176) 13.391 4.745 ( -1.682 6.183 4.959) 8.102 4.832 ( 4.120 -9.601 -2.301) 10.698 5.057 ( -1.234 -4.217 -7.695) 8.861 5.238 ( 5.925 -8.719 2.015) 10.733 5.345 ( 1.950 8.182 -0.456) 8.424 5.785 ( 7.239 -2.174 0.226) 7.562 6.031 ( -2.195 -1.222 -0.224) 2.522 6.108 ( -4.900 2.518 -0.198) 5.512 6.188 ( 5.718 -2.520 2.322) 6.666 6.304 ( 0.514 2.134 -0.446) 2.240 6.676 ( 2.154 -4.731 0.099) 5.199 6.906 ( 11.718 1.297 -6.093) 13.271 7.106 ( 4.448 -5.814 -7.328) 10.358 7.231 ( -3.089 2.471 4.096) 5.695 7.589 ( -7.445 6.638 -3.871) 10.700 7.876 ( 5.925 -7.198 -0.033) 9.323 8.241 ( 4.984 3.324 -6.721) 9.004 8.322 ( -2.421 3.137 -3.036) 4.992 8.718 ( 3.274 4.016 7.036) 8.738 9.023 ( 2.843 -2.251 -6.558) 7.494 9.299 ( -5.087 4.327 -4.932) 8.302 9.782 ( -5.507 8.499 -9.613) 13.963 9.969 ( 0.172 -4.662 -2.629) 5.355 10.795 ( 6.395 9.973 6.097) 13.325 10.983 ( -18.639 12.995 5.349) 23.343 11.181 ( 6.216 -6.842 4.618) 10.333 11.735 ( 3.100 -1.295 -5.103) 6.109 12.014 ( -10.182 -10.951 -9.029) 17.467 12.336 ( 0.510 -2.267 -6.283) 6.699 12.688 ( -14.756 1.428 14.411) 20.675 13.101 ( -10.557 6.459 1.236) 12.438 13.688 ( -2.853 -4.832 -4.739) 7.345 14.131 ( 9.875 11.441 10.575) 18.446 14.605 ( 1.911 -3.859 5.817) 7.238 14.710 ( -0.869 -2.653 5.850) 6.482 14.941 ( 0.931 -1.228 -3.958) 4.247 15.551 ( 2.787 -2.088 -6.979) 7.799 21.184 ( 0.785 0.897 -2.317) 2.606 21.431 ( 9.615 1.409 -10.778) 14.512 21.673 ( -0.751 0.608 5.376) 5.462 22.354 ( 3.839 -2.487 -4.254) 6.246 22.696 ( -0.987 3.135 1.671) 3.687 23.000 ( 0.763 -3.838 -0.188) 3.917 23.399 ( -2.961 10.511 16.026) 19.392 24.402 ( -6.292 -0.606 9.090) 11.072 25.424 ( 1.499 4.002 7.335) 8.489 25.730 ( -0.402 -11.758 -17.015) 20.686 26.149 ( 3.821 -1.509 -6.231) 7.463 26.245 ( 3.751 -7.145 -0.873) 8.117 ======================= Grid point 101 (48/128) ======================= q-point: ( 0.43 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -6.303 17.021 0.904) 18.173 2.491 ( 1.738 -10.423 3.726) 11.204 2.579 ( -3.364 4.793 7.547) 9.552 2.758 ( -5.523 4.983 5.462) 9.229 2.940 ( 8.662 -13.708 5.767) 17.210 3.460 ( -9.984 2.650 26.967) 28.878 3.558 ( 2.376 -7.310 4.795) 9.060 3.654 ( -6.468 -0.799 18.338) 19.462 3.778 ( 0.270 9.843 15.113) 18.037 4.319 ( 0.416 -7.323 8.039) 10.883 4.596 ( -5.760 6.482 8.014) 11.807 4.840 ( 7.542 -13.559 -4.878) 16.264 4.851 ( -5.970 -3.498 -7.381) 10.117 5.173 ( 1.088 0.462 -5.300) 5.430 5.327 ( 3.077 -1.718 4.094) 5.401 5.458 ( 4.876 -9.951 8.705) 14.091 5.789 ( -0.665 4.678 4.019) 6.203 5.947 ( -5.430 5.560 -1.249) 7.871 5.992 ( -3.941 -0.471 -2.489) 4.685 6.339 ( 2.966 -2.114 4.165) 5.533 6.419 ( 7.533 -7.456 0.961) 10.642 6.786 ( 2.990 1.716 -1.278) 3.676 6.968 ( 8.802 3.127 -6.586) 11.429 7.169 ( -5.763 -2.345 5.998) 8.642 7.305 ( 6.187 -12.923 -7.180) 16.026 7.312 ( -10.795 9.606 -7.723) 16.385 8.024 ( -4.994 3.513 -8.955) 10.839 8.052 ( 8.443 -2.078 -0.457) 8.707 8.436 ( 4.695 0.505 2.975) 5.581 8.776 ( 9.424 4.178 4.411) 11.212 9.004 ( -3.387 1.584 -9.574) 10.279 9.102 ( -6.445 1.729 -7.891) 10.334 9.544 ( -2.196 7.102 -4.644) 8.765 10.047 ( 0.811 -0.587 -3.195) 3.348 10.715 ( -7.094 -2.732 5.302) 9.269 10.739 ( 5.244 9.792 3.225) 11.566 11.360 ( 4.811 -3.282 1.273) 5.961 11.764 ( -7.899 -7.953 2.178) 11.418 12.044 ( 0.078 -7.215 -9.187) 11.682 12.367 ( -0.837 -2.485 -2.934) 3.935 12.584 ( -3.475 2.010 12.619) 13.242 12.908 ( -8.265 0.976 2.183) 8.604 13.674 ( 1.112 3.400 -3.451) 4.971 14.155 ( 8.966 6.628 7.235) 13.291 14.687 ( -5.930 -3.909 9.634) 11.969 14.804 ( 4.421 -3.333 5.163) 7.571 14.911 ( 1.857 3.109 -5.922) 6.941 15.567 ( 0.738 -0.892 -8.279) 8.360 21.171 ( 0.829 0.778 -2.400) 2.655 21.434 ( 0.629 1.141 -10.662) 10.741 21.674 ( -0.221 1.209 4.102) 4.282 22.416 ( 2.062 -2.281 -4.941) 5.820 22.643 ( -1.424 2.137 1.737) 3.100 23.032 ( 0.322 0.569 0.343) 0.738 23.348 ( -2.524 1.149 14.545) 14.807 24.375 ( -3.521 0.401 11.582) 12.112 25.411 ( -8.411 -4.277 8.877) 12.955 25.778 ( 5.943 -0.153 -17.104) 18.108 26.193 ( 3.624 -0.412 -6.393) 7.360 26.394 ( 4.733 -3.853 -1.444) 6.272 ======================= Grid point 102 (49/128) ======================= q-point: (-0.43 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -10.689 21.175 4.358) 24.117 2.251 ( -10.146 22.017 6.583) 25.120 2.561 ( 1.984 2.948 2.053) 4.104 2.796 ( -4.762 -2.128 8.978) 10.383 3.165 ( 1.047 -3.630 -0.604) 3.826 3.417 ( -8.861 0.662 26.002) 27.478 3.590 ( -1.078 13.771 8.843) 16.401 3.655 ( -6.678 -5.139 23.142) 24.629 3.790 ( 2.097 -4.216 15.947) 16.627 4.347 ( -7.518 1.928 5.235) 9.362 4.554 ( -5.023 -5.220 11.973) 13.994 4.741 ( -6.608 1.963 -7.520) 10.202 5.049 ( -2.364 -1.628 -2.905) 4.084 5.139 ( 7.054 -1.603 -1.200) 7.333 5.324 ( -1.739 2.705 -0.791) 3.312 5.597 ( 5.218 8.249 6.181) 11.553 5.781 ( -5.046 2.220 -8.812) 10.394 5.925 ( -3.225 -8.111 5.576) 10.357 5.943 ( -1.025 -11.501 1.842) 11.692 6.434 ( 0.647 -4.165 3.437) 5.439 6.528 ( -2.736 1.656 -3.807) 4.972 6.661 ( -3.015 9.231 -0.716) 9.737 6.843 ( -11.738 10.396 -1.594) 15.761 7.055 ( 5.881 4.198 -6.893) 9.986 7.222 ( -1.652 -5.593 0.367) 5.843 7.596 ( 3.256 -16.294 -7.910) 18.402 7.951 ( 0.704 -0.447 -4.947) 5.017 8.217 ( 6.927 -3.986 -1.332) 8.102 8.340 ( 0.552 16.632 3.196) 16.945 8.768 ( -1.569 2.323 -2.527) 3.774 8.873 ( -0.732 4.811 -1.768) 5.177 9.146 ( 6.429 -7.722 -6.681) 12.067 9.468 ( 2.727 2.433 -1.929) 4.133 10.009 ( 0.296 -1.771 -8.715) 8.898 10.669 ( 4.530 8.737 0.405) 9.850 10.891 ( 5.227 -13.238 3.946) 14.769 11.386 ( -1.423 2.736 -4.342) 5.326 11.813 ( -11.603 -13.313 9.313) 19.965 12.152 ( 6.064 -5.270 -7.834) 11.221 12.351 ( -1.326 0.146 2.759) 3.064 12.657 ( 4.830 -2.296 11.643) 12.813 12.865 ( -2.001 -2.214 3.591) 4.669 13.599 ( 1.663 6.182 -1.832) 6.659 14.230 ( 7.823 2.614 4.472) 9.382 14.646 ( -4.648 2.227 2.086) 5.560 14.841 ( -3.703 0.949 5.591) 6.773 14.993 ( 8.511 -4.214 -0.327) 9.503 15.528 ( -0.542 1.174 -8.831) 8.925 21.160 ( 0.238 0.492 -2.830) 2.882 21.328 ( -6.302 1.051 -10.156) 11.998 21.661 ( -0.957 1.588 4.073) 4.475 22.425 ( -0.993 -0.403 -4.933) 5.048 22.616 ( -0.138 0.521 1.398) 1.498 23.011 ( 0.747 2.975 0.306) 3.083 23.377 ( -5.404 -3.189 15.932) 17.123 24.404 ( -0.415 -1.095 11.930) 11.987 25.385 ( -15.204 -9.383 2.962) 18.110 25.788 ( 12.094 5.953 -12.575) 18.435 26.197 ( 2.216 1.933 -5.059) 5.851 26.457 ( 3.606 2.642 -3.359) 5.592 ======================= Grid point 103 (50/128) ======================= q-point: (-0.29 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -7.270 22.394 15.140) 27.992 1.772 ( -9.455 25.115 11.544) 29.214 2.511 ( 2.389 12.753 8.618) 15.576 2.643 ( -14.162 8.861 20.974) 26.814 3.110 ( -1.284 4.420 -3.509) 5.788 3.396 ( -9.258 -0.145 17.254) 19.581 3.423 ( -3.947 6.288 13.499) 15.405 3.773 ( -12.754 -5.017 27.187) 30.446 3.942 ( 7.520 -2.085 10.767) 13.298 4.216 ( -11.777 0.593 11.843) 16.713 4.540 ( -7.404 4.409 -8.627) 12.193 4.584 ( -5.110 1.559 7.919) 9.552 5.002 ( -3.158 -0.607 -3.155) 4.505 5.209 ( -2.753 3.568 0.282) 4.515 5.259 ( 5.343 0.347 -2.668) 5.982 5.529 ( -1.018 6.575 3.187) 7.378 5.674 ( -2.553 -0.570 -10.575) 10.894 5.891 ( -3.205 -2.073 -5.824) 6.963 6.158 ( -8.303 -1.490 -0.914) 8.485 6.312 ( -6.699 -4.294 1.290) 8.061 6.487 ( -2.871 -0.534 1.534) 3.298 6.568 ( 4.279 -1.943 -0.104) 4.701 6.639 ( -8.419 3.214 3.438) 9.645 7.038 ( 8.082 5.569 -11.162) 14.863 7.302 ( -0.870 -6.155 -2.322) 6.636 7.719 ( -2.375 4.208 -3.532) 5.986 7.975 ( 2.104 -1.677 -1.627) 3.144 8.095 ( -2.426 4.253 -1.293) 5.064 8.343 ( 5.384 -1.870 -3.220) 6.546 8.710 ( -1.578 1.980 3.920) 4.666 8.866 ( 3.161 -2.143 -0.845) 3.911 9.305 ( 6.658 -2.188 -4.035) 8.087 9.500 ( 5.705 0.914 -3.931) 6.988 10.105 ( 7.907 -7.499 -7.079) 12.995 10.603 ( 5.323 7.416 -2.487) 9.461 11.070 ( -8.382 0.593 1.371) 8.514 11.321 ( 4.312 -5.517 -6.018) 9.233 11.923 ( -9.501 -13.358 7.751) 18.133 12.281 ( 7.413 -2.943 -8.958) 11.995 12.386 ( 1.089 -1.559 1.934) 2.712 12.895 ( 10.253 -6.264 15.140) 19.328 12.928 ( 1.959 -4.752 7.388) 9.000 13.545 ( 0.477 1.166 1.690) 2.108 14.312 ( 5.487 1.370 3.986) 6.919 14.527 ( 2.267 9.768 -5.141) 11.268 14.795 ( -8.755 -2.643 7.814) 12.029 15.177 ( 6.298 -5.111 0.116) 8.112 15.436 ( -1.883 3.601 -10.090) 10.878 21.074 ( -9.953 1.747 -6.676) 12.111 21.209 ( -0.960 0.433 -3.340) 3.502 21.640 ( -1.166 1.474 4.810) 5.164 22.366 ( -2.561 1.650 -4.247) 5.227 22.636 ( 1.139 -1.384 1.205) 2.160 22.962 ( 1.112 4.996 0.068) 5.119 23.462 ( -8.590 -11.832 18.609) 23.666 24.489 ( 2.866 -0.664 11.142) 11.524 25.289 ( -15.371 -6.682 -8.871) 18.964 25.822 ( 12.640 7.233 -5.639) 15.617 26.156 ( 1.111 3.629 -3.354) 5.065 26.370 ( 0.661 9.632 -5.766) 11.246 ======================= Grid point 104 (51/128) ======================= q-point: (-0.14 0.00 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.639 14.134 25.907) 29.874 1.335 ( -8.334 21.844 23.073) 32.848 2.317 ( 0.562 16.838 42.246) 45.482 2.516 ( -1.588 3.933 5.841) 7.218 3.054 ( -0.027 -0.192 -1.059) 1.076 3.313 ( -9.306 0.240 7.928) 12.227 3.362 ( -3.666 3.306 9.930) 11.090 3.691 ( -20.589 -0.296 34.060) 39.800 3.991 ( -10.988 -0.939 7.914) 13.574 4.192 ( -7.176 3.637 8.582) 11.763 4.310 ( -3.900 4.795 4.457) 7.620 4.493 ( 3.193 4.979 -0.342) 5.925 4.966 ( -3.451 -3.629 -8.055) 9.484 5.122 ( -3.864 -0.008 -4.065) 5.609 5.233 ( -4.285 2.773 -3.564) 6.225 5.501 ( 5.907 1.893 3.140) 6.952 5.628 ( -3.100 -4.107 -13.089) 14.064 5.848 ( -2.211 -2.857 -2.977) 4.681 6.026 ( -3.937 4.999 1.790) 6.610 6.281 ( -0.554 -0.701 -1.654) 1.880 6.468 ( -2.432 3.678 -0.908) 4.502 6.526 ( 0.728 3.676 -1.882) 4.193 6.768 ( -1.878 -15.846 7.011) 17.430 7.009 ( 4.710 3.470 -10.639) 12.142 7.319 ( -1.086 2.825 -2.426) 3.879 7.505 ( -0.074 9.293 -5.359) 10.728 8.015 ( 1.552 1.154 -3.477) 3.979 8.030 ( -4.283 -1.962 2.847) 5.505 8.523 ( 6.235 -8.170 -4.470) 11.208 8.749 ( -0.209 -6.624 7.627) 10.104 8.919 ( 1.806 0.605 -1.633) 2.509 9.362 ( 3.040 2.685 -6.063) 7.294 9.546 ( 9.996 2.397 -2.367) 10.548 10.367 ( 13.326 -8.014 -2.813) 15.803 10.574 ( 4.863 3.817 -3.413) 7.061 10.813 ( -12.057 7.842 2.819) 14.657 11.494 ( 5.307 -6.808 -7.601) 11.502 12.003 ( -10.556 -11.548 2.111) 15.787 12.343 ( -3.170 4.726 -1.304) 5.838 12.382 ( 6.696 -1.438 -11.342) 13.249 13.025 ( 7.348 -0.640 1.395) 7.506 13.238 ( -1.418 -6.134 13.478) 14.876 13.717 ( 8.035 -17.657 10.632) 22.122 14.362 ( 6.317 11.605 -0.945) 13.246 14.385 ( 2.948 2.346 1.584) 4.087 14.752 ( -11.016 -5.498 5.377) 13.434 15.151 ( -17.252 5.853 -14.694) 23.405 15.355 ( 6.167 0.591 -1.009) 6.277 20.903 ( -2.189 2.309 1.649) 3.584 21.205 ( 1.037 -0.050 -2.101) 2.343 21.631 ( -0.614 0.759 5.486) 5.572 22.287 ( -1.729 1.663 -3.395) 4.157 22.699 ( 1.831 -2.900 2.089) 4.016 22.893 ( 0.338 5.039 0.670) 5.095 23.701 ( -7.423 -23.568 13.845) 28.324 24.593 ( 3.635 0.060 12.256) 12.784 25.058 ( -6.886 9.066 -18.963) 22.117 25.821 ( 3.247 7.937 1.101) 8.646 26.095 ( 0.383 3.572 -2.113) 4.168 26.172 ( -1.864 7.485 -5.600) 9.532 ======================= Grid point 106 (52/128) ======================= q-point: ( 0.14 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 12.999 -0.000 15.505) 20.233 2.159 ( 19.181 -0.000 18.124) 26.389 2.591 ( 1.434 -0.000 7.764) 7.896 2.904 ( -3.354 0.000 9.613) 10.181 3.173 ( -0.991 0.000 -1.741) 2.003 3.176 ( 2.068 -0.000 15.723) 15.858 3.295 ( -0.526 0.000 28.343) 28.348 3.613 ( 2.064 -0.000 40.339) 40.392 3.648 ( 6.148 -0.000 -8.799) 10.734 3.836 ( -5.198 0.000 20.092) 20.754 4.584 ( 4.749 -0.000 4.176) 6.324 4.656 ( 5.162 -0.000 -12.465) 13.491 4.823 ( -0.101 0.000 -9.097) 9.098 4.854 ( 0.769 -0.000 -5.092) 5.149 5.228 ( 7.592 -0.000 -1.898) 7.826 5.439 ( -7.535 0.000 2.216) 7.854 5.752 ( 16.010 -0.000 -5.234) 16.844 6.009 ( -1.220 0.000 2.592) 2.865 6.120 ( -9.131 0.000 -4.183) 10.043 6.203 ( 12.152 -0.000 -0.928) 12.187 6.298 ( 2.176 -0.000 -13.502) 13.676 6.656 ( -7.588 0.000 9.812) 12.403 6.913 ( 13.870 -0.000 -8.219) 16.122 6.976 ( 2.557 -0.000 -4.336) 5.034 7.316 ( -0.843 0.000 6.191) 6.248 7.686 ( 10.426 -0.000 -2.031) 10.622 7.783 ( -8.159 0.000 -3.877) 9.033 8.136 ( 4.982 -0.000 1.979) 5.361 8.587 ( -1.457 0.000 -0.070) 1.459 8.785 ( 1.864 -0.000 -6.381) 6.648 9.004 ( 4.564 -0.000 1.633) 4.848 9.337 ( 1.896 -0.000 -1.953) 2.721 9.809 ( -19.817 0.000 -9.914) 22.159 9.980 ( 6.630 -0.000 -1.332) 6.763 10.997 ( -0.800 0.000 15.508) 15.529 11.028 ( 13.203 -0.000 -4.400) 13.917 11.487 ( -18.255 0.000 -5.786) 19.150 11.511 ( -28.474 0.000 8.425) 29.694 11.775 ( 10.694 -0.000 -8.846) 13.878 12.288 ( -2.173 0.000 -12.429) 12.617 12.685 ( -17.316 0.000 15.799) 23.441 13.285 ( -23.714 0.000 -7.991) 25.024 13.484 ( 9.632 -0.000 1.568) 9.758 14.346 ( 4.772 -0.000 15.218) 15.949 14.632 ( 3.683 -0.000 2.491) 4.446 14.690 ( -1.633 0.000 3.429) 3.798 14.808 ( 6.854 -0.000 2.229) 7.208 15.515 ( 3.776 -0.000 -7.215) 8.144 21.202 ( 0.412 -0.000 -2.105) 2.145 21.467 ( 11.586 -0.000 -13.337) 17.667 21.673 ( -1.883 0.000 5.936) 6.228 22.317 ( 4.798 -0.000 -4.518) 6.590 22.804 ( -1.017 0.000 -0.470) 1.120 22.859 ( 0.482 -0.000 3.952) 3.981 23.882 ( -0.756 0.000 1.045) 1.290 24.218 ( -8.847 0.000 11.188) 14.263 25.294 ( -16.008 0.000 7.538) 17.695 25.675 ( 25.405 -0.000 -7.464) 26.479 26.065 ( 0.782 -0.000 -0.350) 0.857 26.124 ( 3.864 -0.000 -6.815) 7.834 ======================= Grid point 107 (53/128) ======================= q-point: ( 0.29 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 4.635 -10.857 6.957) 13.702 2.484 ( 5.425 -6.062 15.465) 17.474 2.623 ( 4.010 0.508 6.684) 7.811 2.926 ( 3.294 12.016 14.251) 18.930 2.956 ( 3.250 11.320 6.440) 13.423 3.368 ( 0.925 -4.026 10.991) 11.741 3.446 ( -10.026 -6.107 36.854) 38.679 3.608 ( 0.685 2.725 10.970) 11.325 3.936 ( 5.517 2.215 18.050) 19.003 4.065 ( 9.815 -22.621 0.977) 24.678 4.499 ( 2.918 10.791 -3.074) 11.593 4.720 ( 2.382 -5.373 -7.780) 9.751 4.831 ( 3.376 -0.566 -0.011) 3.423 4.949 ( 0.081 -3.774 -8.579) 9.373 5.279 ( 8.820 0.728 0.463) 8.862 5.457 ( 3.469 -2.603 4.099) 5.967 5.903 ( 7.624 1.767 -2.394) 8.184 5.948 ( -5.875 2.092 -3.452) 7.128 6.033 ( -3.175 -3.127 0.892) 4.544 6.273 ( 4.245 -0.797 -8.335) 9.388 6.364 ( 10.707 2.249 -3.740) 11.563 6.611 ( -3.172 -1.943 4.801) 6.074 6.989 ( 2.752 -0.272 -9.446) 9.842 7.054 ( 3.798 -5.297 -3.907) 7.599 7.335 ( 3.009 6.693 8.352) 11.118 7.619 ( -3.484 4.943 0.004) 6.048 7.828 ( 5.073 -4.892 -6.247) 9.417 8.279 ( 7.259 -5.974 -1.998) 9.611 8.448 ( -0.384 13.195 -1.802) 13.323 8.838 ( 5.534 0.391 2.187) 5.964 9.028 ( 2.575 3.325 -4.408) 6.092 9.301 ( -3.878 5.476 -1.494) 6.874 9.618 ( -9.007 -8.511 -4.814) 13.294 9.996 ( 2.454 2.705 -4.237) 5.594 10.906 ( -21.754 11.672 15.055) 28.916 11.024 ( -1.670 7.987 3.719) 8.967 11.207 ( 6.737 -4.518 1.113) 8.188 11.429 ( -17.005 -12.420 -3.428) 21.335 11.890 ( 6.672 -2.807 -8.184) 10.926 12.251 ( -0.268 -4.289 -9.046) 10.014 12.562 ( -10.614 -1.714 10.744) 15.200 12.964 ( -15.596 1.768 -1.189) 15.740 13.629 ( 5.944 -2.672 -2.632) 7.029 14.421 ( 0.424 4.166 17.005) 17.513 14.631 ( 0.938 3.847 2.298) 4.578 14.722 ( 4.568 -1.474 3.161) 5.748 14.919 ( 1.562 -3.042 -1.547) 3.753 15.542 ( 3.950 -0.561 -7.626) 8.606 21.196 ( 0.698 0.495 -2.110) 2.277 21.504 ( 4.381 2.524 -11.624) 12.676 21.675 ( -1.972 -0.992 4.529) 5.038 22.365 ( 3.950 -0.746 -5.257) 6.618 22.739 ( -1.473 4.043 1.341) 4.507 22.937 ( 0.150 -5.665 1.287) 5.811 23.678 ( 0.021 17.852 9.188) 20.078 24.306 ( -3.769 -8.802 8.006) 12.481 25.164 ( -17.173 -6.562 8.183) 20.123 25.901 ( 18.045 6.524 -9.029) 21.206 26.157 ( 5.072 -2.088 -5.715) 7.921 26.183 ( 5.896 -7.414 -2.724) 9.856 ======================= Grid point 108 (54/128) ======================= q-point: ( 0.43 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -4.475 -8.639 0.783) 9.760 2.576 ( 1.604 3.812 7.927) 8.941 2.719 ( 11.778 14.927 6.270) 20.021 2.862 ( 1.575 -7.181 8.943) 11.577 2.909 ( -1.599 9.603 17.052) 19.636 3.446 ( -4.183 -0.816 12.747) 13.441 3.514 ( -6.824 -2.742 30.251) 31.132 3.699 ( 3.492 -0.073 13.620) 14.061 3.974 ( -1.018 2.703 11.931) 12.276 4.351 ( 5.258 6.156 1.350) 8.208 4.536 ( 1.845 -11.843 -5.863) 13.343 4.738 ( -1.541 1.707 9.608) 9.879 4.806 ( -0.150 0.726 -10.802) 10.827 5.060 ( 5.631 -11.287 -4.369) 13.349 5.396 ( 6.081 1.185 -1.331) 6.336 5.561 ( 5.966 4.311 6.832) 10.043 5.846 ( -5.446 -2.153 -2.607) 6.411 5.922 ( 2.052 2.329 -2.833) 4.202 5.990 ( -1.747 5.847 3.313) 6.944 6.327 ( 0.369 -2.967 -0.085) 2.991 6.475 ( 8.408 0.808 1.818) 8.640 6.713 ( 0.408 -10.744 -5.103) 11.901 6.958 ( 0.372 -2.552 -8.353) 8.742 7.151 ( -1.322 -2.105 -3.948) 4.665 7.204 ( -2.679 8.906 3.447) 9.918 7.538 ( 5.833 12.429 1.338) 13.795 7.916 ( 2.802 -4.259 -11.435) 12.519 8.225 ( 2.573 8.144 0.964) 8.595 8.520 ( 9.427 -4.783 -0.074) 10.571 8.901 ( 4.029 2.560 0.551) 4.805 8.929 ( -3.969 0.806 -8.316) 9.249 9.161 ( 2.245 9.610 -0.456) 9.879 9.585 ( -2.714 3.193 -1.470) 4.441 10.015 ( 0.838 -2.737 -6.131) 6.766 10.542 ( -15.132 -0.104 8.787) 17.499 10.949 ( 0.854 5.591 3.170) 6.484 11.337 ( -11.834 -12.407 8.399) 19.092 11.404 ( 0.629 -2.470 -7.453) 7.877 11.994 ( 4.902 -5.547 -7.243) 10.357 12.315 ( 1.298 -4.469 -2.605) 5.333 12.536 ( -6.763 -5.113 8.185) 11.784 12.799 ( -6.908 -0.398 4.669) 8.348 13.694 ( 2.880 0.111 -5.626) 6.321 14.401 ( -1.208 4.998 14.521) 15.405 14.592 ( -2.917 0.995 2.870) 4.211 14.857 ( 6.269 -2.542 4.602) 8.182 14.930 ( 0.055 -0.418 -6.550) 6.563 15.568 ( 4.267 0.991 -6.590) 7.914 21.188 ( 0.949 0.783 -2.204) 2.524 21.419 ( -1.835 4.597 -8.275) 9.642 21.680 ( -1.949 -0.631 3.461) 4.022 22.398 ( 2.207 -0.787 -5.328) 5.820 22.669 ( -1.443 2.854 1.755) 3.648 23.026 ( 1.104 -3.966 -1.346) 4.331 23.500 ( 0.484 11.649 13.080) 17.522 24.398 ( -0.163 -1.969 10.028) 10.221 25.068 ( -17.919 -8.441 6.270) 20.776 25.962 ( 11.260 5.209 -8.318) 14.937 26.213 ( 4.423 -0.731 -6.583) 7.964 26.397 ( 8.751 -5.198 -3.848) 10.881 ======================= Grid point 109 (55/128) ======================= q-point: (-0.43 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 1.221 17.373 5.125) 18.154 2.472 ( 0.329 13.984 10.952) 17.766 2.718 ( 1.196 12.306 1.238) 12.425 2.779 ( 1.489 0.140 3.529) 3.833 3.056 ( -4.017 -8.689 14.210) 17.134 3.426 ( -4.459 2.173 13.128) 14.034 3.579 ( -9.352 -3.573 29.338) 30.999 3.768 ( -0.084 6.843 11.759) 13.605 3.976 ( 5.486 3.111 12.450) 13.956 4.299 ( -4.851 2.907 2.021) 6.006 4.506 ( -6.261 2.043 10.603) 12.482 4.693 ( 2.177 3.327 -9.791) 10.568 4.955 ( 3.711 -6.637 -3.965) 8.575 5.203 ( 4.828 -2.478 -4.056) 6.775 5.397 ( -0.615 4.854 3.136) 5.812 5.649 ( -1.596 -6.342 -0.517) 6.560 5.746 ( -3.202 -0.841 0.161) 3.315 5.871 ( -0.477 8.051 6.257) 10.208 5.927 ( 4.156 4.880 -0.083) 6.411 6.348 ( -6.343 -1.901 5.335) 8.504 6.513 ( -1.169 1.728 -1.224) 2.419 6.680 ( -5.448 2.647 -1.140) 6.163 6.885 ( -10.485 13.786 -0.484) 17.327 7.139 ( 5.073 -3.278 -4.866) 7.756 7.200 ( 7.534 -5.164 -5.234) 10.528 7.470 ( 6.615 1.892 -6.974) 9.797 7.969 ( 6.125 -1.141 -10.719) 12.398 8.229 ( -0.741 0.037 2.735) 2.834 8.631 ( 5.518 10.440 2.537) 12.078 8.731 ( 0.064 3.526 -5.748) 6.743 8.982 ( -1.663 6.433 -5.922) 8.900 9.102 ( 7.230 -5.893 1.783) 9.497 9.515 ( 0.541 1.678 -2.028) 2.688 9.977 ( 2.265 0.555 -7.155) 7.526 10.601 ( -7.931 -14.522 4.809) 17.232 10.927 ( 7.118 1.705 -3.926) 8.306 11.313 ( -13.254 -5.173 4.476) 14.915 11.469 ( -0.899 -6.460 0.931) 6.588 12.137 ( 5.180 -6.550 -6.101) 10.342 12.374 ( 2.622 0.028 1.884) 3.229 12.609 ( -4.660 -10.499 8.433) 14.249 12.830 ( 1.173 -3.841 8.532) 9.430 13.657 ( -0.380 3.259 -5.392) 6.311 14.377 ( -4.444 0.993 12.732) 13.522 14.550 ( -1.163 0.600 -0.868) 1.570 14.868 ( -1.901 2.305 -2.140) 3.675 15.022 ( 6.009 -4.438 -1.804) 7.685 15.564 ( 4.277 3.720 -6.230) 8.423 21.173 ( 0.509 2.227 -2.429) 3.335 21.256 ( -4.905 4.735 -4.813) 8.345 21.670 ( -2.390 0.109 4.372) 4.984 22.400 ( 0.760 0.398 -5.141) 5.212 22.632 ( -0.273 1.096 1.198) 1.647 23.067 ( 2.000 0.475 -2.203) 3.013 23.414 ( -2.477 6.220 14.567) 16.032 24.473 ( 2.550 0.670 13.735) 13.985 24.989 ( -16.660 -10.340 1.683) 19.680 25.999 ( 9.923 4.212 -8.329) 13.623 26.238 ( 3.158 1.130 -5.272) 6.249 26.517 ( 5.244 0.185 -6.306) 8.204 ======================= Grid point 110 (56/128) ======================= q-point: (-0.29 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 9.764 26.968 14.435) 32.109 2.171 ( 1.069 28.706 5.975) 29.341 2.596 ( -6.730 1.685 10.913) 12.931 2.806 ( 3.082 4.455 6.824) 8.713 3.081 ( -6.596 0.889 5.301) 8.509 3.369 ( -5.148 3.041 8.735) 10.585 3.587 ( -6.927 10.313 28.129) 30.750 3.631 ( -10.315 -1.651 14.441) 17.823 4.118 ( -12.224 2.456 10.018) 15.995 4.156 ( 11.223 2.675 12.749) 17.194 4.507 ( -6.183 -3.059 5.863) 9.053 4.580 ( 3.225 7.739 -5.099) 9.813 4.969 ( 0.199 2.487 -7.110) 7.535 5.262 ( -1.590 6.161 -2.303) 6.766 5.344 ( 2.970 2.068 0.296) 3.631 5.508 ( -5.944 -0.786 -5.571) 8.184 5.679 ( -5.638 10.113 -3.204) 12.014 5.888 ( 3.105 7.037 2.556) 8.105 5.975 ( -2.109 -15.467 9.988) 18.532 6.260 ( -1.671 2.947 6.043) 6.928 6.452 ( -6.071 1.921 4.298) 7.683 6.589 ( -0.667 2.144 -0.838) 2.397 6.642 ( -1.274 3.773 -4.106) 5.720 7.208 ( 6.165 8.168 -8.824) 13.513 7.212 ( 1.090 -2.767 -1.616) 3.385 7.645 ( 5.024 -9.929 -8.112) 13.771 8.025 ( 6.001 -0.039 -7.376) 9.509 8.098 ( -7.933 7.185 -0.946) 10.745 8.455 ( 2.174 9.821 -5.035) 11.249 8.742 ( -2.166 3.330 4.387) 5.919 8.888 ( 4.194 -0.669 -1.362) 4.460 9.306 ( 5.304 -5.920 -4.725) 9.247 9.538 ( 4.337 -1.845 -3.286) 5.746 10.105 ( 11.564 -6.971 -3.611) 13.977 10.608 ( -10.973 -5.265 -7.879) 14.499 11.044 ( 5.424 1.888 1.025) 5.833 11.239 ( -6.668 -5.994 3.664) 9.686 11.576 ( -4.257 -10.506 1.801) 11.478 12.267 ( 3.426 -5.576 -6.295) 9.081 12.411 ( 2.287 0.861 -0.761) 2.559 12.823 ( 0.019 -14.376 10.725) 17.936 12.984 ( 4.254 -5.143 11.477) 13.277 13.568 ( -2.047 2.495 0.076) 3.228 14.333 ( -11.284 -2.885 8.196) 14.242 14.542 ( 3.515 2.164 -3.347) 5.314 14.776 ( -2.857 4.155 -0.296) 5.051 15.134 ( 1.035 -4.197 -6.150) 7.517 15.513 ( 4.024 6.463 -6.001) 9.694 21.050 ( -1.015 7.047 0.233) 7.124 21.199 ( 0.417 -0.247 -2.240) 2.291 21.655 ( -1.987 0.337 5.102) 5.486 22.363 ( 0.435 2.362 -4.838) 5.402 22.636 ( 0.552 -0.759 0.966) 1.347 23.053 ( 1.941 3.675 -1.934) 4.584 23.355 ( -6.710 1.067 17.406) 18.685 24.560 ( -0.232 -0.064 16.255) 16.256 24.962 ( -7.256 -9.900 -5.417) 13.417 26.030 ( 8.789 4.245 -8.645) 13.038 26.221 ( 2.240 3.220 -3.431) 5.211 26.465 ( -0.883 6.520 -9.786) 11.793 ======================= Grid point 111 (57/128) ======================= q-point: (-0.14 0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.029 23.951 20.542) 31.554 1.786 ( 20.390 28.263 13.055) 37.215 2.537 ( -4.981 1.656 13.281) 14.281 2.809 ( 6.540 8.689 16.024) 19.366 2.984 ( -4.959 0.132 1.784) 5.272 3.263 ( -4.294 4.987 4.171) 7.791 3.456 ( -1.446 7.140 3.495) 8.080 3.567 ( -16.506 0.483 39.117) 42.459 3.891 ( -16.034 4.938 16.876) 23.796 4.277 ( -1.964 9.889 -1.563) 10.203 4.422 ( 5.616 3.057 7.244) 9.662 4.597 ( 3.112 0.348 6.264) 7.003 4.859 ( -1.680 3.223 -9.245) 9.933 5.117 ( -0.655 6.524 -5.644) 8.652 5.186 ( -6.569 3.560 0.021) 7.472 5.466 ( -4.195 -2.076 -11.581) 12.491 5.617 ( 5.920 1.276 0.151) 6.057 5.868 ( 5.972 2.752 2.849) 7.167 6.125 ( 0.218 1.043 6.712) 6.796 6.226 ( -3.883 -0.882 1.999) 4.456 6.418 ( -7.953 -4.058 4.349) 9.932 6.556 ( 6.656 -1.224 -0.973) 6.837 6.670 ( 3.358 -0.208 0.359) 3.384 7.100 ( 3.804 6.434 -12.294) 14.388 7.271 ( -0.418 -3.146 -1.316) 3.436 7.673 ( 2.577 7.635 -5.662) 9.849 7.916 ( -7.770 0.218 0.474) 7.788 8.075 ( 5.854 1.260 -2.979) 6.688 8.439 ( 3.120 -6.597 -8.611) 11.288 8.688 ( -4.529 -1.198 8.459) 9.670 8.959 ( 4.026 0.936 -2.356) 4.758 9.386 ( 2.246 -1.201 -7.224) 7.660 9.650 ( 8.305 -2.952 -2.685) 9.213 10.385 ( 1.456 -4.615 -17.658) 18.309 10.480 ( -1.849 -7.093 6.056) 9.508 10.985 ( 4.236 10.433 6.749) 13.128 11.357 ( -5.096 -13.547 0.478) 14.482 11.667 ( -4.072 -8.294 -2.560) 9.588 12.328 ( -1.755 0.437 -11.982) 12.118 12.372 ( -0.476 0.760 -1.352) 1.623 13.019 ( -6.950 -8.314 8.835) 13.982 13.163 ( -0.377 -3.839 7.355) 8.305 13.670 ( 7.592 -11.499 14.448) 19.965 14.187 ( -19.575 -2.224 -2.319) 19.837 14.518 ( 2.617 5.219 -0.786) 5.891 14.689 ( -1.253 3.172 4.059) 5.302 15.056 ( -5.512 5.216 -11.569) 13.836 15.471 ( 5.702 4.023 -2.470) 7.402 21.049 ( 12.103 2.319 1.605) 12.427 21.207 ( 1.524 -0.300 -2.234) 2.721 21.652 ( -1.140 0.112 5.637) 5.752 22.307 ( 1.197 3.180 -3.897) 5.170 22.679 ( 0.879 -2.721 1.549) 3.252 22.990 ( 0.699 5.628 -0.597) 5.702 23.396 ( -7.365 -10.212 18.559) 22.427 24.567 ( -9.314 -1.122 12.214) 15.401 25.079 ( 10.895 -5.265 -7.847) 14.422 25.999 ( 3.612 10.008 -10.506) 14.953 26.170 ( 0.879 4.882 -2.701) 5.648 26.220 ( -5.722 8.968 -7.308) 12.906 ======================= Grid point 114 (58/128) ======================= q-point: ( 0.29 0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -0.556 0.000 4.334) 4.370 2.551 ( -2.206 0.000 19.636) 19.759 2.689 ( 1.335 -0.000 10.353) 10.438 2.987 ( -1.670 0.000 20.690) 20.758 3.351 ( 5.836 -0.000 0.416) 5.851 3.368 ( -3.093 0.000 18.574) 18.830 3.470 ( -0.847 0.000 36.427) 36.437 3.768 ( -1.965 0.000 14.936) 15.064 3.948 ( 20.504 -0.000 -5.328) 21.185 4.101 ( 2.622 -0.000 12.195) 12.473 4.621 ( 3.100 -0.000 -13.798) 14.142 4.685 ( 0.453 -0.000 -6.101) 6.117 4.893 ( 5.458 -0.000 2.350) 5.943 4.907 ( 2.247 -0.000 -0.844) 2.401 5.477 ( 10.495 -0.000 9.361) 14.063 5.483 ( 12.418 -0.000 -7.583) 14.551 5.799 ( -8.613 0.000 -7.664) 11.529 5.958 ( -2.576 0.000 -0.028) 2.576 6.072 ( 8.893 -0.000 -2.245) 9.172 6.224 ( 2.225 -0.000 -17.279) 17.421 6.563 ( -5.558 0.000 5.905) 8.109 6.620 ( 17.470 -0.000 0.347) 17.474 6.919 ( -5.809 0.000 -3.942) 7.020 7.042 ( 3.413 -0.000 -4.017) 5.271 7.503 ( 0.713 -0.000 10.494) 10.518 7.573 ( -3.645 0.000 0.021) 3.645 7.863 ( 10.533 -0.000 -12.858) 16.622 8.316 ( 7.919 -0.000 -1.287) 8.023 8.559 ( -1.206 0.000 -0.613) 1.353 8.913 ( 6.957 -0.000 -9.289) 11.606 9.190 ( 5.296 -0.000 5.071) 7.332 9.228 ( -7.940 0.000 -1.236) 8.036 9.420 ( -1.118 0.000 3.920) 4.077 9.998 ( -2.278 0.000 -6.908) 7.274 10.810 ( -22.157 0.000 18.098) 28.609 10.862 ( -21.734 0.000 -0.983) 21.756 11.200 ( 1.217 -0.000 12.357) 12.416 11.324 ( 11.087 -0.000 -11.349) 15.866 11.879 ( -0.994 0.000 -6.336) 6.414 12.158 ( 0.397 -0.000 -10.334) 10.342 12.460 ( -5.929 0.000 5.501) 8.088 12.807 ( -9.438 0.000 6.644) 11.542 13.684 ( 5.334 -0.000 -4.708) 7.114 14.433 ( -8.932 0.000 13.894) 16.518 14.716 ( 2.083 -0.000 0.153) 2.089 14.818 ( 6.766 -0.000 6.958) 9.705 14.872 ( -1.493 0.000 -6.481) 6.651 15.583 ( 6.075 -0.000 -5.042) 7.895 21.200 ( 0.673 -0.000 -2.072) 2.179 21.536 ( 3.327 -0.000 -11.271) 11.752 21.641 ( -3.658 0.000 5.619) 6.705 22.386 ( 3.262 -0.000 -5.738) 6.600 22.780 ( -0.493 0.000 -0.165) 0.520 22.862 ( -2.607 0.000 3.786) 4.597 23.913 ( 1.985 -0.000 1.921) 2.762 24.158 ( -4.159 0.000 12.453) 13.129 24.972 ( -11.454 0.000 10.817) 15.754 26.085 ( 0.691 -0.000 -0.171) 0.712 26.190 ( 4.755 -0.000 -6.670) 8.192 26.256 ( 20.460 -0.000 -10.500) 22.997 ======================= Grid point 115 (59/128) ======================= q-point: ( 0.43 0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -2.046 -8.081 3.391) 8.999 2.577 ( -6.577 -2.529 18.838) 20.112 2.795 ( -0.032 -4.365 13.188) 13.892 3.038 ( -3.507 2.537 21.420) 21.853 3.219 ( 1.641 15.978 3.465) 16.432 3.434 ( -3.479 -1.724 14.231) 14.751 3.595 ( -2.079 3.763 30.310) 30.614 3.816 ( 6.714 -2.714 12.950) 14.837 4.057 ( -1.545 9.285 6.525) 11.453 4.376 ( 13.582 -12.982 -6.526) 19.889 4.542 ( -2.880 8.300 -5.139) 10.178 4.681 ( 1.562 -6.720 -4.948) 8.489 4.894 ( 1.614 7.160 6.986) 10.133 5.020 ( 7.436 -4.594 0.821) 8.779 5.519 ( 3.816 4.414 -6.445) 8.694 5.664 ( -1.783 1.671 -7.559) 7.944 5.737 ( 6.276 -3.871 3.916) 8.349 5.965 ( 0.881 -1.188 -1.888) 2.399 6.076 ( 2.510 5.090 -5.391) 7.827 6.318 ( 8.923 -3.566 -5.252) 10.951 6.532 ( -2.943 -6.163 -2.063) 7.135 6.686 ( 3.681 9.508 3.267) 10.707 6.895 ( 2.729 -2.119 -4.137) 5.390 7.104 ( 2.002 -2.282 -3.377) 4.541 7.354 ( -3.773 11.466 5.318) 13.191 7.632 ( -1.698 -5.033 1.417) 5.497 7.986 ( 13.800 1.756 -10.510) 17.435 8.326 ( -2.523 8.355 -4.210) 9.690 8.578 ( 8.214 -4.190 1.437) 9.332 8.853 ( -3.098 1.040 -10.413) 10.914 9.095 ( 6.662 8.651 4.282) 11.728 9.300 ( -0.341 3.885 1.429) 4.153 9.522 ( -2.474 -6.765 5.095) 8.823 9.932 ( -0.447 -3.193 -9.118) 9.671 10.435 ( -15.185 9.210 7.662) 19.342 10.744 ( -17.943 -10.470 6.337) 21.719 11.261 ( 3.163 2.789 9.752) 10.625 11.421 ( 6.077 -0.737 -9.124) 10.987 11.890 ( -0.792 -8.639 -3.563) 9.378 12.191 ( 0.085 -7.300 -5.760) 9.299 12.438 ( -1.647 -0.787 2.781) 3.327 12.758 ( -4.198 -0.647 12.420) 13.126 13.707 ( 1.633 0.404 -7.437) 7.624 14.347 ( -11.422 -1.082 10.614) 15.630 14.683 ( 1.600 5.106 -2.427) 5.876 14.843 ( -1.911 -3.608 -9.102) 9.975 14.940 ( 4.850 -0.371 7.855) 9.239 15.645 ( 6.113 1.341 -2.984) 6.933 21.197 ( 0.541 0.235 -2.152) 2.231 21.469 ( 0.665 6.416 -6.564) 9.203 21.641 ( -2.580 -1.956 3.678) 4.900 22.403 ( 2.592 -0.013 -5.632) 6.200 22.710 ( -1.530 4.244 1.773) 4.848 22.927 ( -1.291 -7.538 0.610) 7.673 23.780 ( 1.248 14.924 8.409) 17.175 24.317 ( -1.195 -12.493 7.669) 14.708 24.863 ( -9.815 2.365 11.762) 15.501 26.085 ( 2.630 1.148 -2.352) 3.710 26.233 ( 4.136 -0.757 -6.041) 7.361 26.472 ( 13.265 -1.565 -10.050) 16.716 ======================= Grid point 116 (60/128) ======================= q-point: (-0.43 0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -0.964 -7.463 5.108) 9.095 2.633 ( -5.373 -5.638 11.740) 14.088 2.835 ( -6.631 6.107 14.637) 17.190 2.970 ( 4.909 11.929 2.433) 13.127 3.049 ( -3.270 5.342 12.896) 14.337 3.454 ( -4.904 0.175 14.901) 15.688 3.609 ( -2.687 4.871 24.143) 24.776 3.894 ( -8.440 4.589 8.378) 12.747 4.034 ( 5.595 -1.587 13.754) 14.933 4.344 ( -4.606 6.220 0.481) 7.754 4.509 ( 0.386 2.792 -1.971) 3.440 4.841 ( 8.003 5.653 -4.518) 10.790 4.897 ( 3.866 -8.249 6.782) 11.357 5.196 ( 5.905 -4.716 -0.871) 7.607 5.417 ( -3.464 2.330 -6.130) 7.417 5.608 ( 1.542 4.674 -5.226) 7.179 5.757 ( -0.940 4.629 1.988) 5.125 5.938 ( 1.051 2.636 -3.626) 4.604 6.094 ( 3.060 -0.314 4.012) 5.056 6.302 ( -4.680 3.950 5.434) 8.187 6.555 ( -1.564 3.348 3.355) 4.991 6.657 ( 2.738 1.989 -7.072) 7.840 6.908 ( -8.525 8.269 -0.723) 11.899 7.139 ( 10.352 -6.290 -8.541) 14.822 7.236 ( 6.072 2.826 2.170) 7.040 7.654 ( 3.179 5.969 -3.018) 7.405 7.978 ( 2.664 4.526 -8.473) 9.968 8.244 ( 1.012 0.323 -1.343) 1.712 8.740 ( 6.741 -1.573 -2.414) 7.331 8.816 ( -2.347 2.088 -7.797) 8.406 9.030 ( -0.640 4.718 2.917) 5.583 9.163 ( -1.940 5.833 0.921) 6.216 9.532 ( 1.369 1.217 -0.383) 1.871 10.012 ( 6.101 -3.644 -10.698) 12.843 10.259 ( -13.168 -6.132 10.080) 17.681 10.759 ( -9.820 -13.646 4.916) 17.516 11.283 ( 3.439 4.596 5.799) 8.160 11.461 ( 4.961 -0.895 -7.679) 9.186 12.058 ( 4.185 -8.578 -3.707) 10.239 12.333 ( -2.329 -13.915 3.811) 14.614 12.444 ( 0.950 0.292 0.306) 1.040 12.821 ( -1.057 -4.148 15.002) 15.601 13.644 ( -3.675 1.513 -7.154) 8.184 14.253 ( -10.638 -1.823 6.058) 12.377 14.633 ( 3.432 2.851 -5.084) 6.764 14.828 ( -1.874 -1.405 -4.755) 5.301 15.025 ( 1.373 -1.349 3.851) 4.305 15.671 ( 4.601 3.477 -3.052) 6.525 21.192 ( 0.492 0.079 -2.112) 2.170 21.326 ( 0.739 9.392 -2.905) 9.859 21.644 ( -2.574 -0.963 4.300) 5.103 22.409 ( 2.331 0.647 -5.421) 5.937 22.652 ( -0.980 1.863 1.430) 2.545 23.027 ( 0.153 -5.990 -2.318) 6.425 23.608 ( -1.322 13.079 11.996) 17.796 24.539 ( 2.836 -11.077 5.688) 12.771 24.721 ( -10.161 4.468 13.383) 17.387 26.105 ( 4.161 0.579 -4.693) 6.299 26.266 ( 2.891 -0.130 -4.960) 5.743 26.564 ( 5.232 1.060 -10.603) 11.871 ======================= Grid point 117 (61/128) ======================= q-point: (-0.29 0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 3.756 2.161 7.520) 8.679 2.595 ( -9.598 8.051 18.410) 22.268 2.693 ( 3.290 13.334 -0.299) 13.737 2.794 ( -0.130 6.209 -2.154) 6.573 3.048 ( -5.214 -1.124 11.233) 12.435 3.421 ( -5.581 2.594 15.654) 16.821 3.567 ( -5.990 4.375 17.447) 18.958 3.744 ( -8.270 4.690 11.754) 15.118 4.033 ( -9.748 3.455 8.113) 13.145 4.330 ( 1.712 -0.600 12.183) 12.317 4.454 ( -0.960 1.784 8.443) 8.683 4.797 ( 7.596 10.372 -6.751) 14.521 5.004 ( 0.756 0.926 -0.083) 1.198 5.296 ( -0.861 2.413 -3.844) 4.619 5.385 ( 3.786 -3.322 -4.706) 6.893 5.442 ( -2.456 7.247 -4.232) 8.744 5.797 ( -2.670 -3.268 12.993) 13.661 5.826 ( -0.317 7.222 2.217) 7.561 6.084 ( 2.592 7.455 4.163) 8.923 6.278 ( -1.747 -1.490 6.352) 6.754 6.469 ( -2.543 8.309 -0.179) 8.691 6.609 ( 2.571 0.152 -5.541) 6.111 6.666 ( -2.114 4.005 -1.998) 4.950 7.210 ( 2.771 0.589 0.876) 2.965 7.437 ( 8.567 9.677 -6.855) 14.630 7.544 ( 4.238 -4.312 -7.066) 9.299 7.959 ( -2.973 -2.815 -5.500) 6.856 8.201 ( 3.550 6.340 -3.211) 7.944 8.554 ( -6.240 9.605 -12.154) 16.701 8.777 ( -5.914 3.877 3.879) 8.066 8.952 ( 3.377 0.743 0.003) 3.457 9.241 ( 3.371 -6.532 -2.699) 7.831 9.575 ( 6.052 -0.827 -2.475) 6.591 10.164 ( 10.966 -6.636 -11.021) 16.904 10.218 ( -15.420 -8.961 6.325) 18.923 10.896 ( -8.564 -14.357 6.832) 18.060 11.264 ( 3.060 6.704 5.341) 9.102 11.538 ( 7.816 -1.540 -7.244) 10.767 12.194 ( 3.260 -4.851 -5.410) 7.965 12.449 ( 0.778 -0.012 -2.107) 2.246 12.596 ( -0.677 -15.786 9.038) 18.203 12.966 ( -0.755 -6.646 14.320) 15.805 13.533 ( -5.806 -0.711 -1.079) 5.948 14.150 ( -9.062 -0.479 -0.307) 9.080 14.637 ( 4.482 2.196 -4.147) 6.490 14.792 ( -1.868 1.469 1.301) 2.709 15.044 ( -3.075 -1.938 -2.422) 4.368 15.639 ( 3.068 5.094 -3.921) 7.123 21.184 ( -0.154 1.123 -2.042) 2.335 21.225 ( 6.778 6.497 -0.551) 9.405 21.642 ( -2.290 -0.690 5.020) 5.561 22.399 ( 2.538 1.979 -5.228) 6.139 22.635 ( -0.395 -0.151 1.047) 1.129 23.081 ( 0.691 -1.494 -3.760) 4.105 23.435 ( -5.407 9.913 15.137) 18.885 24.573 ( -11.562 1.545 12.157) 16.848 24.807 ( 9.677 -8.862 5.403) 14.191 26.132 ( 4.803 1.127 -6.623) 8.259 26.271 ( 1.541 1.236 -3.998) 4.460 26.482 ( -2.664 5.548 -11.715) 13.233 ======================= Grid point 118 (62/128) ======================= q-point: (-0.14 0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.645 21.549 15.531) 26.614 2.446 ( 4.670 4.570 -1.686) 6.748 2.550 ( 3.783 14.214 17.773) 23.070 2.751 ( -5.111 -3.982 -7.770) 10.117 2.995 ( -9.801 0.514 10.275) 14.209 3.395 ( 0.034 3.083 15.690) 15.990 3.473 ( -3.287 3.665 5.361) 7.278 3.668 ( -4.254 3.836 24.655) 25.312 3.829 ( -14.046 5.252 13.558) 20.216 4.309 ( -4.729 3.582 2.255) 6.347 4.571 ( 4.687 -4.041 10.525) 12.210 4.693 ( 3.475 9.479 -0.738) 10.122 4.968 ( 0.296 7.376 2.626) 7.835 5.198 ( 1.905 7.353 -0.133) 7.597 5.226 ( -0.939 4.665 -8.460) 9.706 5.401 ( -2.951 7.103 -1.972) 7.940 5.728 ( 3.891 1.658 4.429) 6.124 6.002 ( -1.812 -11.286 8.115) 14.018 6.042 ( 5.863 5.400 1.801) 8.172 6.235 ( -4.134 2.883 1.134) 5.166 6.328 ( -2.653 3.375 1.213) 4.461 6.657 ( 6.037 1.622 -1.618) 6.457 6.726 ( 8.239 -4.221 -1.051) 9.317 7.230 ( -0.343 4.645 -2.381) 5.231 7.241 ( 2.536 7.616 -4.190) 9.055 7.648 ( -3.848 -3.738 -7.578) 9.284 7.897 ( 0.330 2.233 -3.747) 4.374 8.175 ( 4.390 1.680 -4.067) 6.216 8.379 ( 1.166 3.223 -10.574) 11.116 8.641 ( -6.700 -0.701 8.637) 10.954 9.021 ( 4.449 0.082 -3.819) 5.864 9.316 ( -1.641 -3.787 -5.363) 6.767 9.685 ( 5.028 -4.984 -5.833) 9.173 10.101 ( -12.107 -4.070 -6.979) 14.555 10.474 ( 12.030 -10.492 2.304) 16.128 10.984 ( -13.720 -12.639 7.661) 20.166 11.213 ( 3.127 7.850 5.879) 10.294 11.650 ( 9.208 -1.150 -7.314) 11.815 12.244 ( -0.861 -1.064 -8.916) 9.020 12.405 ( -0.316 4.807 -3.424) 5.910 12.766 ( -12.536 -9.171 10.840) 18.941 13.080 ( -4.960 -6.235 7.296) 10.803 13.621 ( 2.493 -11.396 10.247) 15.527 14.007 ( -4.812 3.101 -5.808) 8.154 14.627 ( 2.900 4.339 0.091) 5.219 14.751 ( -1.440 3.301 7.221) 8.069 14.988 ( -3.525 -0.679 -7.076) 7.935 15.585 ( 2.896 4.151 -4.775) 6.958 21.170 ( 1.325 0.093 -2.248) 2.612 21.295 ( 12.004 1.261 -3.916) 12.689 21.650 ( -1.605 -0.919 5.629) 5.925 22.373 ( 3.045 3.305 -4.619) 6.444 22.654 ( -0.160 -2.019 1.395) 2.459 23.056 ( -0.600 2.660 -1.878) 3.311 23.324 ( -5.677 1.759 16.934) 17.947 24.465 ( -9.721 -0.373 11.147) 14.795 25.129 ( 13.649 -8.511 2.976) 16.358 26.117 ( -1.468 8.583 -14.374) 16.806 26.163 ( -4.077 2.700 -6.096) 7.815 26.305 ( 1.845 6.124 -2.468) 6.855 ======================= Grid point 122 (63/128) ======================= q-point: ( 0.43 0.43 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -2.496 0.000 3.407) 4.223 2.510 ( -13.158 0.000 27.919) 30.864 2.823 ( 0.529 -0.000 9.916) 9.930 3.081 ( -5.548 0.000 21.953) 22.644 3.304 ( -14.741 0.000 20.351) 25.129 3.382 ( -0.616 0.000 -3.265) 3.322 3.743 ( -1.788 0.000 26.040) 26.102 3.927 ( 2.629 -0.000 15.805) 16.023 4.188 ( 3.666 -0.000 -0.588) 3.713 4.462 ( 12.567 -0.000 -0.035) 12.567 4.483 ( -9.733 0.000 -2.882) 10.151 4.641 ( 5.598 -0.000 -9.307) 10.861 4.998 ( 0.810 -0.000 8.214) 8.254 5.124 ( 7.184 -0.000 5.878) 9.282 5.479 ( -3.555 0.000 -7.779) 8.553 5.723 ( 10.085 -0.000 -11.263) 15.118 5.831 ( 3.081 -0.000 3.711) 4.823 5.919 ( 1.447 -0.000 -3.827) 4.092 6.103 ( -0.543 0.000 -17.405) 17.414 6.404 ( -4.609 0.000 3.474) 5.772 6.484 ( 17.486 -0.000 -6.669) 18.715 6.675 ( -9.302 0.000 3.069) 9.795 7.092 ( 3.408 -0.000 -6.247) 7.116 7.118 ( 17.920 -0.000 4.773) 18.545 7.374 ( -8.759 0.000 1.083) 8.826 7.581 ( -0.387 0.000 7.388) 7.398 8.094 ( 10.265 -0.000 -9.792) 14.186 8.501 ( -2.288 0.000 0.440) 2.330 8.515 ( 4.666 -0.000 -5.292) 7.055 8.780 ( -1.446 0.000 -9.215) 9.328 9.163 ( -13.437 0.000 4.528) 14.180 9.311 ( -2.814 0.000 0.462) 2.852 9.534 ( 10.973 -0.000 9.320) 14.397 9.837 ( -3.610 0.000 -9.731) 10.379 10.369 ( -10.029 0.000 2.077) 10.242 10.499 ( -6.970 0.000 10.450) 12.561 11.371 ( 1.031 -0.000 11.832) 11.877 11.476 ( 6.872 -0.000 -10.584) 12.619 11.753 ( -1.453 0.000 2.196) 2.633 12.142 ( 4.856 -0.000 -9.660) 10.813 12.441 ( 0.166 -0.000 2.913) 2.918 12.762 ( -3.041 0.000 15.580) 15.874 13.664 ( -3.807 0.000 -8.654) 9.455 14.223 ( -9.393 0.000 5.940) 11.114 14.713 ( -0.450 0.000 -13.960) 13.968 14.742 ( 0.334 -0.000 -4.342) 4.355 15.027 ( 0.989 -0.000 11.874) 11.915 15.726 ( 4.693 -0.000 -1.474) 4.919 21.193 ( 0.087 -0.000 -2.150) 2.151 21.536 ( 3.464 -0.000 -8.198) 8.900 21.597 ( -2.660 0.000 5.786) 6.369 22.417 ( 2.802 -0.000 -5.477) 6.152 22.772 ( -0.116 0.000 0.477) 0.491 22.796 ( -4.043 0.000 3.433) 5.304 24.013 ( 2.843 -0.000 3.903) 4.828 24.152 ( -4.125 0.000 11.199) 11.934 24.865 ( -3.786 0.000 13.335) 13.863 26.097 ( 0.503 -0.000 -0.872) 1.007 26.255 ( 3.371 -0.000 -5.288) 6.272 26.577 ( 8.900 -0.000 -12.630) 15.450 ======================= Grid point 123 (64/128) ======================= q-point: (-0.43 -0.57 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -2.507 -9.285 3.018) 10.080 2.484 ( -11.460 -4.922 22.499) 25.725 2.852 ( -5.739 -0.128 12.645) 13.887 3.030 ( -13.137 1.793 4.305) 13.940 3.164 ( -3.292 2.365 19.620) 20.034 3.384 ( -6.577 -2.379 6.954) 9.863 3.772 ( -3.046 4.328 21.903) 22.534 3.910 ( -6.069 9.690 9.475) 14.849 4.180 ( 0.701 5.466 6.502) 8.523 4.330 ( -6.053 0.630 5.390) 8.130 4.613 ( 7.530 3.666 -7.220) 11.057 4.764 ( 1.078 -13.056 5.517) 14.214 4.994 ( 0.244 3.700 3.396) 5.029 5.242 ( 4.949 -1.443 2.789) 5.861 5.407 ( 1.179 3.954 -6.158) 7.412 5.761 ( 7.207 7.481 -9.833) 14.303 5.806 ( -2.372 2.974 -2.484) 4.543 5.930 ( 0.290 -2.264 -7.014) 7.376 6.072 ( 3.302 -3.638 -4.506) 6.666 6.320 ( -4.784 2.839 4.728) 7.301 6.579 ( -2.685 0.521 3.552) 4.483 6.691 ( 6.946 0.527 -9.218) 11.553 7.053 ( -0.988 11.811 0.426) 11.860 7.164 ( 5.802 0.963 -4.267) 7.266 7.428 ( 9.265 4.033 5.560) 11.534 7.631 ( 0.714 -7.023 3.166) 7.736 8.176 ( -3.715 17.008 -3.479) 17.753 8.246 ( 8.345 -2.474 -5.429) 10.258 8.703 ( -8.278 -2.182 -8.071) 11.766 8.737 ( 3.604 -8.495 -3.620) 9.913 8.924 ( -19.548 0.434 2.147) 19.670 9.230 ( -0.942 3.944 2.054) 4.545 9.637 ( 1.889 5.091 -2.309) 5.900 9.847 ( 2.785 -8.366 -4.312) 9.815 10.306 ( 2.343 5.929 7.030) 9.490 10.518 ( -2.145 -6.194 8.900) 11.053 11.407 ( -0.155 1.887 8.933) 9.132 11.496 ( 7.696 0.394 -12.552) 14.729 11.929 ( 3.064 -14.001 6.083) 15.570 12.196 ( 4.573 -2.008 -6.438) 8.148 12.473 ( 2.277 -1.231 1.900) 3.211 12.819 ( -1.274 -2.162 16.902) 17.087 13.524 ( -10.551 -0.111 -7.363) 12.866 14.144 ( -4.442 -0.063 0.452) 4.465 14.665 ( 3.909 0.662 -11.000) 11.693 14.740 ( -1.764 -3.095 -7.178) 8.013 15.057 ( -2.846 1.405 12.442) 12.841 15.752 ( 2.083 1.921 -2.007) 3.473 21.184 ( -0.065 -0.055 -2.006) 2.008 21.485 ( 3.932 7.112 -4.765) 9.421 21.613 ( -1.638 -1.338 3.500) 4.089 22.432 ( 3.025 0.382 -5.249) 6.070 22.681 ( -1.910 3.666 2.177) 4.672 22.891 ( -1.220 -8.640 0.067) 8.726 23.859 ( -1.684 15.268 9.546) 18.085 24.334 ( -1.861 -13.635 5.431) 14.794 24.849 ( 0.065 5.596 15.969) 16.922 26.113 ( 1.188 -1.465 -2.272) 2.953 26.275 ( 1.920 -0.319 -4.411) 4.821 26.583 ( 1.234 1.402 -13.375) 13.504 ======================= Grid point 124 (65/128) ======================= q-point: (-0.29 -0.57 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -5.063 -11.743 3.478) 13.253 2.536 ( -6.024 -8.610 6.668) 12.445 2.697 ( -12.131 6.165 4.943) 14.477 2.905 ( -13.484 -2.936 18.149) 22.800 3.175 ( 7.020 11.926 2.852) 14.130 3.329 ( -11.717 -4.958 12.276) 17.680 3.658 ( -12.034 5.967 11.243) 17.517 3.730 ( -0.048 8.072 11.426) 13.989 4.033 ( -13.333 5.429 18.991) 23.830 4.380 ( 0.434 -2.266 9.009) 9.300 4.568 ( 3.584 8.659 3.609) 10.042 4.913 ( -5.875 -5.904 7.521) 11.222 5.003 ( 5.467 2.352 -6.959) 9.157 5.299 ( 0.124 0.031 -0.510) 0.526 5.375 ( 3.095 -1.674 -2.499) 4.316 5.543 ( -3.431 11.057 -9.689) 15.096 5.811 ( 4.072 -0.881 3.023) 5.148 5.960 ( 2.235 5.838 -0.451) 6.267 6.141 ( 0.883 -2.737 1.014) 3.049 6.267 ( -1.209 0.767 3.293) 3.591 6.586 ( 1.426 0.561 1.475) 2.127 6.644 ( 1.950 1.884 -9.631) 10.005 6.758 ( -2.309 18.400 4.995) 19.206 7.263 ( 3.995 -1.521 -6.707) 7.954 7.490 ( 2.086 -1.080 2.362) 3.332 7.739 ( 4.883 6.791 -1.706) 8.536 7.909 ( 0.920 7.067 -2.807) 7.659 8.294 ( -0.773 3.228 -3.450) 4.787 8.522 ( -2.580 2.616 -11.091) 11.684 8.635 ( -20.288 -0.658 1.928) 20.390 8.923 ( 2.193 -8.130 -2.209) 8.706 9.242 ( 4.094 0.059 0.644) 4.145 9.537 ( -7.829 -2.274 -7.194) 10.873 9.995 ( 5.160 -3.066 -2.980) 6.702 10.300 ( 8.086 3.765 2.624) 9.298 10.678 ( -0.790 -7.742 12.189) 14.461 11.389 ( -0.866 3.180 6.187) 7.010 11.597 ( 10.412 -2.826 -11.596) 15.838 12.193 ( 7.020 -3.152 -0.338) 7.702 12.290 ( -1.789 -11.854 3.562) 12.506 12.557 ( 4.312 -0.912 0.986) 4.516 12.921 ( -1.831 -3.223 13.839) 14.327 13.371 ( -9.589 -4.695 -1.763) 10.821 14.087 ( -0.956 1.886 -3.954) 4.483 14.702 ( 5.708 -1.433 -8.187) 10.083 14.727 ( -2.725 -2.549 -3.687) 5.245 15.014 ( -5.295 2.998 10.562) 12.190 15.710 ( -0.096 3.293 -3.733) 4.979 21.176 ( -0.073 -0.008 -1.991) 1.992 21.425 ( 6.844 6.425 -5.326) 10.793 21.620 ( -2.009 -0.889 4.536) 5.040 22.442 ( 3.190 1.048 -5.125) 6.127 22.633 ( -1.357 0.859 1.677) 2.322 22.998 ( -0.673 -6.623 -2.464) 7.099 23.617 ( -5.723 14.813 13.167) 20.629 24.454 ( -6.104 -3.963 5.707) 9.248 24.928 ( 9.204 -1.342 14.960) 17.616 26.149 ( 1.962 -1.608 -4.121) 4.839 26.265 ( -1.471 0.931 -5.879) 6.131 26.460 ( -3.766 3.141 -11.582) 12.577 ======================= Grid point 125 (66/128) ======================= q-point: (-0.14 0.43 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -15.220 -7.664 1.341) 17.093 2.488 ( -6.358 1.389 6.184) 8.978 2.606 ( -2.714 -4.820 -3.167) 6.374 2.832 ( -10.396 1.541 16.955) 19.948 3.025 ( 6.852 15.182 0.460) 16.663 3.375 ( -3.514 -5.557 15.686) 17.009 3.571 ( -6.616 -5.881 6.503) 10.984 3.648 ( 0.448 7.899 10.939) 13.500 3.830 ( -15.766 6.281 26.029) 31.073 4.401 ( -0.531 5.618 8.841) 10.488 4.540 ( -1.927 -1.072 10.255) 10.489 4.925 ( 4.145 7.928 -9.160) 12.804 4.985 ( -1.890 -4.127 7.944) 9.150 5.185 ( -4.658 6.492 -6.884) 10.546 5.368 ( 1.596 4.158 -4.391) 6.254 5.475 ( 1.017 -2.096 2.586) 3.480 5.838 ( -0.363 9.878 6.424) 11.788 5.912 ( 1.191 -2.519 5.776) 6.414 6.087 ( -6.379 2.973 -2.627) 7.512 6.294 ( 4.475 0.792 1.683) 4.846 6.468 ( 3.878 11.294 1.646) 12.055 6.692 ( 1.340 -4.773 -0.827) 5.026 6.744 ( 9.401 -6.170 -4.858) 12.249 7.256 ( -0.543 2.234 -0.983) 2.500 7.410 ( -10.739 2.882 -0.238) 11.122 7.585 ( 3.248 15.481 -7.645) 17.568 7.916 ( 6.340 -0.708 -5.444) 8.386 8.171 ( -3.638 2.597 -7.722) 8.923 8.424 ( -10.328 -1.324 4.161) 11.213 8.562 ( 7.676 -3.655 -0.368) 8.510 9.024 ( 1.284 -3.180 -6.095) 6.994 9.231 ( -4.096 1.801 -4.992) 6.704 9.490 ( -5.192 -8.374 -7.247) 12.231 10.046 ( 2.771 1.115 -1.478) 3.332 10.471 ( 9.043 -8.056 -0.737) 12.133 10.779 ( -3.027 -1.239 10.335) 10.840 11.357 ( 1.041 3.488 4.682) 5.931 11.742 ( 10.069 -1.497 -6.836) 12.262 12.227 ( 0.905 3.277 -4.920) 5.980 12.468 ( 3.495 -0.578 -1.555) 3.869 12.522 ( -11.802 -2.730 8.610) 14.862 12.948 ( -6.177 -3.180 7.131) 9.956 13.494 ( 2.953 -12.651 5.123) 13.965 14.036 ( 3.352 2.923 -3.821) 5.863 14.722 ( -2.006 -0.942 4.069) 4.634 14.774 ( 5.282 -0.357 -3.773) 6.501 14.924 ( -4.911 2.622 5.140) 7.577 15.630 ( -0.656 2.775 -6.285) 6.901 21.167 ( 0.319 -0.058 -2.265) 2.288 21.430 ( 6.700 1.945 -9.175) 11.526 21.635 ( -1.152 -1.410 5.500) 5.794 22.440 ( 2.979 2.041 -5.100) 6.249 22.626 ( -1.077 -1.105 1.636) 2.249 23.038 ( -1.611 -1.633 -1.994) 3.039 23.398 ( -6.169 8.333 15.568) 18.704 24.403 ( -6.361 1.016 10.261) 12.115 25.224 ( 13.163 -6.623 8.966) 17.249 26.048 ( -12.087 6.958 -13.606) 19.484 26.179 ( 2.883 -0.158 -6.597) 7.201 26.390 ( 2.343 1.444 -2.584) 3.775 ======================= Grid point 130 (67/128) ======================= q-point: (-0.43 -0.43 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -3.552 0.000 2.417) 4.296 2.387 ( -13.062 0.000 28.216) 31.093 2.768 ( -24.662 0.000 -0.659) 24.670 2.771 ( -10.844 0.000 8.883) 14.018 3.171 ( -7.027 0.000 24.229) 25.227 3.380 ( 2.804 -0.000 -2.649) 3.857 3.809 ( -6.728 0.000 15.357) 16.766 3.966 ( -12.780 0.000 24.451) 27.590 4.224 ( -8.736 0.000 12.389) 15.159 4.355 ( 4.279 -0.000 0.090) 4.280 4.543 ( -6.873 0.000 5.682) 8.918 4.764 ( 7.800 -0.000 -6.255) 9.998 5.052 ( 1.086 -0.000 4.919) 5.037 5.278 ( 1.540 -0.000 -0.198) 1.553 5.476 ( 3.431 -0.000 -2.248) 4.102 5.654 ( -14.549 0.000 -9.319) 17.278 5.851 ( -1.139 0.000 -0.737) 1.356 5.962 ( 14.734 -0.000 -12.616) 19.397 6.094 ( 7.531 -0.000 -12.825) 14.873 6.319 ( -1.970 0.000 6.544) 6.834 6.539 ( -3.774 0.000 6.419) 7.446 6.825 ( 10.534 -0.000 -11.307) 15.454 7.000 ( -4.963 0.000 -11.394) 12.428 7.303 ( 3.103 -0.000 1.111) 3.296 7.548 ( -9.316 0.000 13.455) 16.366 7.671 ( 14.568 -0.000 8.489) 16.861 8.215 ( 0.596 -0.000 -12.209) 12.223 8.331 ( -14.214 0.000 -5.252) 15.153 8.434 ( -9.571 0.000 5.625) 11.101 8.652 ( 1.446 -0.000 -1.991) 2.461 8.722 ( -8.086 0.000 -2.540) 8.476 9.275 ( 1.640 -0.000 1.600) 2.291 9.546 ( -10.686 0.000 -9.175) 14.084 9.910 ( 10.092 -0.000 -5.499) 11.493 10.481 ( 10.907 -0.000 20.391) 23.125 10.559 ( 4.050 -0.000 0.797) 4.127 11.422 ( -2.111 0.000 4.483) 4.955 11.543 ( 5.219 -0.000 -12.011) 13.096 11.904 ( 6.645 -0.000 11.557) 13.331 12.276 ( 10.582 -0.000 -8.376) 13.496 12.502 ( 2.610 -0.000 5.665) 6.237 12.882 ( 2.372 -0.000 16.208) 16.381 13.302 ( -15.168 0.000 -7.857) 17.082 14.117 ( 0.660 -0.000 -3.268) 3.334 14.620 ( -5.040 0.000 -9.508) 10.761 14.715 ( 7.982 -0.000 -8.779) 11.866 15.073 ( -5.567 0.000 15.222) 16.208 15.766 ( -0.925 0.000 -2.447) 2.616 21.175 ( 0.015 -0.000 -1.715) 1.715 21.576 ( 4.188 -0.000 -10.444) 11.252 21.591 ( -1.502 0.000 5.352) 5.559 22.456 ( 3.168 -0.000 -5.169) 6.063 22.710 ( -4.076 0.000 3.212) 5.189 22.785 ( 0.617 -0.000 0.956) 1.138 24.108 ( 0.626 -0.000 5.000) 5.039 24.123 ( -4.262 0.000 10.241) 11.093 24.983 ( 2.676 -0.000 16.667) 16.880 26.099 ( 0.524 -0.000 -1.978) 2.046 26.272 ( 0.527 -0.000 -3.732) 3.769 26.505 ( -5.410 0.000 -14.982) 15.928 ======================= Grid point 131 (68/128) ======================= q-point: (-0.29 -0.43 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -9.458 -7.443 3.691) 12.588 2.315 ( -21.903 -6.309 11.557) 25.556 2.452 ( -16.329 -2.075 4.573) 17.084 2.724 ( -10.699 -8.663 13.491) 19.276 3.178 ( -6.336 -2.193 9.446) 11.583 3.380 ( 2.813 3.225 0.294) 4.289 3.682 ( -15.977 7.251 19.729) 26.402 3.867 ( -6.541 4.589 24.617) 25.882 4.020 ( -11.387 10.404 15.773) 22.061 4.372 ( -1.274 -0.852 6.902) 7.070 4.657 ( -8.141 -14.756 6.296) 17.991 4.798 ( 6.398 7.271 0.355) 9.692 5.084 ( 4.171 1.740 -3.045) 5.450 5.246 ( -5.666 -0.127 -7.845) 9.678 5.389 ( -3.328 1.546 1.741) 4.061 5.516 ( -6.681 -0.126 -3.006) 7.328 5.848 ( 2.389 -1.003 -0.810) 2.715 6.079 ( 5.346 6.499 -13.359) 15.789 6.157 ( 11.217 -4.697 -7.146) 14.105 6.312 ( 0.494 3.175 5.286) 6.187 6.541 ( -3.990 -2.741 4.936) 6.914 6.720 ( 3.267 8.478 -12.163) 15.181 6.982 ( -1.585 4.204 -5.889) 7.407 7.217 ( -5.240 4.795 -0.199) 7.105 7.482 ( -7.014 -0.207 8.721) 11.194 7.861 ( 8.472 1.911 3.366) 9.314 7.988 ( -8.219 -1.369 -14.089) 16.369 8.259 ( -15.597 -1.086 5.941) 16.726 8.288 ( -4.459 0.288 0.885) 4.555 8.599 ( 3.977 5.866 0.839) 7.136 8.813 ( 3.655 -7.735 -3.844) 9.379 9.305 ( 2.862 0.275 0.926) 3.020 9.355 ( -9.198 0.110 -8.437) 12.482 10.019 ( 7.645 -2.157 -10.047) 12.808 10.521 ( 3.219 7.872 -1.216) 8.591 10.768 ( 11.584 -0.258 21.521) 24.442 11.400 ( -2.535 0.539 2.504) 3.604 11.619 ( 8.799 -5.415 -12.587) 16.284 12.136 ( 4.748 -8.794 11.759) 15.432 12.359 ( 10.543 4.842 -2.258) 11.819 12.611 ( 4.095 -1.280 5.597) 7.052 12.945 ( -4.357 3.975 5.283) 7.918 13.152 ( -2.488 -8.550 0.925) 8.952 14.117 ( 3.081 1.448 -4.645) 5.759 14.528 ( -6.753 -5.180 -9.267) 12.583 14.813 ( 9.669 0.633 -3.318) 10.242 15.032 ( -6.798 2.245 14.330) 16.019 15.708 ( -3.230 1.678 -3.913) 5.344 21.170 ( 0.344 0.086 -1.620) 1.658 21.539 ( 3.045 3.532 -12.150) 13.015 21.601 ( -1.581 -0.693 4.627) 4.938 22.470 ( 2.383 0.325 -5.354) 5.869 22.641 ( -2.246 2.140 2.732) 4.134 22.869 ( -0.355 -6.896 0.068) 6.906 23.849 ( -5.268 17.852 11.429) 21.842 24.325 ( -1.755 -9.482 5.399) 11.052 25.110 ( 7.538 0.084 17.105) 18.693 26.118 ( 0.726 -2.248 -2.895) 3.736 26.215 ( -6.383 3.691 -9.038) 11.664 26.350 ( -5.570 -2.946 -10.048) 11.860 ======================= Grid point 132 (69/128) ======================= q-point: (-0.14 -0.43 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -23.089 -7.011 3.571) 24.393 2.125 ( -22.241 -15.381 5.164) 27.530 2.470 ( -1.438 -7.511 0.371) 7.657 2.821 ( -7.337 -6.219 18.220) 20.603 3.159 ( -1.360 -3.171 -6.264) 7.151 3.401 ( 2.676 1.131 8.772) 9.241 3.461 ( -12.114 3.037 25.428) 28.330 3.777 ( -7.756 7.185 15.495) 18.759 3.846 ( -8.334 5.249 25.178) 27.036 4.381 ( -5.154 -1.899 6.869) 8.795 4.677 ( -4.473 6.191 10.295) 12.819 4.797 ( -5.225 -5.060 3.485) 8.065 5.013 ( 1.482 1.290 -9.669) 9.866 5.208 ( -2.222 -0.358 -2.682) 3.502 5.375 ( -5.050 2.231 -3.083) 6.323 5.430 ( 2.311 -3.450 2.995) 5.120 5.908 ( -1.650 7.020 -7.982) 10.757 5.917 ( -1.087 -3.686 -1.112) 4.001 6.225 ( 0.314 14.390 5.064) 15.259 6.359 ( 9.191 -3.473 -2.983) 10.269 6.561 ( -2.711 -6.603 -1.114) 7.224 6.617 ( -2.873 4.702 -4.630) 7.198 6.825 ( 4.461 5.462 0.174) 7.054 7.085 ( -13.192 -6.054 -9.605) 17.406 7.372 ( -5.334 6.701 3.996) 9.451 7.822 ( -0.138 9.121 -4.471) 10.159 7.992 ( 2.738 -1.654 -8.604) 9.180 8.127 ( -10.459 -8.158 9.664) 16.412 8.223 ( 4.158 5.759 -2.376) 7.490 8.651 ( 5.714 -2.111 2.895) 6.745 8.906 ( -2.716 -4.227 -5.453) 7.415 9.212 ( -0.866 3.216 -7.251) 7.979 9.385 ( 3.569 -2.951 -0.950) 4.728 10.065 ( 3.299 1.381 -10.620) 11.206 10.497 ( 3.924 -1.970 -0.308) 4.402 10.935 ( 8.384 7.255 12.169) 16.463 11.380 ( -1.685 -1.397 0.164) 2.195 11.811 ( 10.187 -4.543 -4.313) 11.959 12.288 ( 1.457 0.345 -2.262) 2.712 12.416 ( -4.539 5.844 17.248) 18.768 12.558 ( 4.157 3.610 -7.021) 8.923 12.880 ( -3.466 -1.472 7.941) 8.788 13.398 ( 7.632 -10.005 3.395) 13.033 14.128 ( 5.668 1.888 -2.738) 6.572 14.552 ( -2.959 -10.759 -5.165) 12.295 14.911 ( 5.175 2.996 4.505) 7.487 14.947 ( -3.206 3.786 8.255) 9.631 15.604 ( -3.709 1.644 -6.770) 7.892 21.165 ( 0.567 0.329 -2.051) 2.153 21.450 ( -1.420 2.051 -13.649) 13.875 21.624 ( -0.565 -1.526 4.678) 4.953 22.462 ( 0.349 0.333 -5.362) 5.384 22.612 ( -0.786 0.416 1.945) 2.139 22.957 ( -0.727 -5.100 -0.956) 5.239 23.544 ( -8.130 14.514 16.201) 23.221 24.394 ( -2.184 -0.487 8.032) 8.338 25.361 ( 11.965 -4.299 12.253) 17.657 25.905 ( -13.794 5.666 -15.930) 21.820 26.160 ( 1.304 -2.519 -4.680) 5.473 26.374 ( 0.824 -4.955 -3.283) 6.001 ======================= Grid point 138 (70/128) ======================= q-point: (-0.29 -0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -15.703 0.000 4.841) 16.432 1.857 ( -34.270 0.000 7.010) 34.980 2.333 ( -14.240 0.000 22.667) 26.769 2.525 ( -7.854 0.000 6.939) 10.480 3.097 ( -6.648 0.000 0.690) 6.684 3.404 ( -1.902 0.000 1.878) 2.673 3.587 ( -17.699 0.000 28.507) 33.554 3.888 ( -11.409 0.000 35.482) 37.271 4.140 ( -5.889 0.000 11.232) 12.682 4.368 ( -6.069 0.000 5.571) 8.239 4.396 ( -3.224 0.000 5.535) 6.405 4.929 ( -0.398 0.000 -0.550) 0.679 5.065 ( -6.458 0.000 -14.991) 16.323 5.140 ( 2.286 -0.000 -1.599) 2.790 5.345 ( -2.743 0.000 2.668) 3.826 5.438 ( -5.575 0.000 2.378) 6.061 5.854 ( 0.518 -0.000 -1.351) 1.447 6.105 ( -0.253 0.000 -12.564) 12.566 6.271 ( 13.661 -0.000 -16.723) 21.593 6.361 ( -0.059 0.000 4.927) 4.928 6.485 ( -4.649 0.000 6.239) 7.781 6.818 ( -3.813 0.000 -17.279) 17.694 6.820 ( 1.003 -0.000 -13.636) 13.673 7.284 ( -7.255 0.000 2.701) 7.742 7.329 ( -14.182 0.000 17.618) 22.617 7.705 ( -7.937 0.000 -17.082) 18.836 7.952 ( 0.412 -0.000 -3.287) 3.313 8.234 ( 2.734 -0.000 18.615) 18.815 8.238 ( -4.041 0.000 1.280) 4.239 8.756 ( 1.147 -0.000 -3.893) 4.059 8.757 ( 4.700 -0.000 0.210) 4.705 9.236 ( -1.793 0.000 -5.791) 6.062 9.330 ( 0.741 -0.000 0.853) 1.130 10.083 ( 10.458 -0.000 -12.447) 16.257 10.554 ( -4.340 0.000 -3.505) 5.579 11.024 ( 6.099 -0.000 21.925) 22.758 11.427 ( 3.620 -0.000 -3.658) 5.146 11.617 ( 10.596 -0.000 -9.052) 13.936 12.215 ( 6.321 -0.000 10.360) 12.136 12.569 ( 13.134 -0.000 -5.137) 14.103 12.729 ( 5.193 -0.000 23.908) 24.466 12.808 ( -12.344 0.000 -9.909) 15.829 13.220 ( 14.705 -0.000 6.553) 16.099 14.159 ( 3.582 -0.000 -3.666) 5.125 14.324 ( -8.594 0.000 -9.310) 12.670 14.960 ( 11.227 -0.000 -0.184) 11.228 15.009 ( -7.731 0.000 13.474) 15.534 15.643 ( -5.319 0.000 -4.095) 6.713 21.173 ( 0.919 -0.000 -1.412) 1.685 21.505 ( -2.425 0.000 -17.535) 17.702 21.597 ( -1.255 0.000 4.802) 4.964 22.462 ( -0.642 0.000 -5.641) 5.678 22.646 ( -1.591 0.000 3.202) 3.576 22.817 ( 0.839 -0.000 1.115) 1.396 24.117 ( -3.008 0.000 4.731) 5.606 24.131 ( -0.807 0.000 11.134) 11.164 25.288 ( 7.794 -0.000 17.995) 19.610 26.038 ( -17.269 0.000 -17.180) 24.359 26.091 ( 0.369 -0.000 -2.776) 2.801 26.222 ( -1.658 0.000 -3.334) 3.723 ======================= Grid point 139 (71/128) ======================= q-point: (-0.14 -0.29 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -30.965 -1.453 11.028) 32.903 1.611 ( -20.616 -13.735 11.114) 27.152 2.301 ( -10.751 -11.099 16.826) 22.845 2.577 ( -9.240 -11.280 13.725) 20.025 3.053 ( -1.318 -3.477 -2.646) 4.564 3.383 ( -3.509 -1.169 5.330) 6.487 3.474 ( -13.322 2.178 27.756) 30.864 3.872 ( -13.341 0.585 35.239) 37.684 3.963 ( 0.651 12.944 7.216) 14.833 4.310 ( -8.260 0.214 9.814) 12.829 4.510 ( -5.612 -11.325 6.056) 14.015 4.722 ( -13.968 1.054 -8.243) 16.253 5.050 ( 3.330 3.460 -0.631) 4.843 5.168 ( 2.781 -2.192 -5.663) 6.679 5.295 ( -5.052 1.575 0.119) 5.293 5.423 ( -0.413 -3.676 4.279) 5.656 5.816 ( -4.893 1.282 -6.263) 8.050 5.981 ( -1.712 4.042 -9.851) 10.785 6.285 ( -0.616 0.625 -6.063) 6.126 6.416 ( -3.910 -2.964 -6.041) 7.783 6.491 ( 5.679 -1.066 1.008) 5.866 6.592 ( -7.720 4.381 -9.179) 12.769 6.816 ( -6.616 0.100 -5.831) 8.819 6.969 ( -1.596 9.831 2.503) 10.269 7.391 ( -3.586 -2.000 3.026) 5.100 7.644 ( -5.741 -10.715 -8.098) 14.607 7.955 ( 2.282 -1.076 -3.506) 4.319 8.151 ( -3.301 4.674 4.045) 7.008 8.340 ( 5.252 5.192 7.193) 10.309 8.700 ( -0.597 1.203 -0.186) 1.356 8.843 ( 3.000 -1.499 -1.134) 3.541 9.248 ( 5.398 0.739 -2.924) 6.184 9.389 ( 3.354 -4.553 -0.954) 5.734 10.147 ( 9.065 4.658 -12.315) 15.986 10.480 ( -1.722 -2.083 -0.157) 2.707 11.117 ( -4.386 -2.730 8.443) 9.898 11.386 ( 5.288 7.566 -6.331) 11.193 11.873 ( 13.314 -6.182 2.633) 14.913 12.314 ( 2.261 0.216 2.174) 3.144 12.515 ( -7.774 8.113 -8.982) 14.385 12.740 ( 13.369 3.289 6.454) 15.205 12.910 ( 3.048 2.621 20.154) 20.551 13.460 ( 11.666 0.008 2.749) 11.986 14.210 ( 4.986 -1.740 -1.231) 5.422 14.297 ( -1.645 -12.268 -6.354) 13.913 14.931 ( -8.226 2.684 11.207) 14.158 15.105 ( 10.280 1.956 2.017) 10.657 15.529 ( -5.972 1.155 -6.303) 8.759 21.175 ( 0.675 0.907 -2.164) 2.441 21.331 ( -9.446 0.684 -16.985) 19.447 21.611 ( -0.995 -1.121 4.687) 4.921 22.412 ( -3.336 -0.649 -4.801) 5.882 22.638 ( 0.796 1.552 2.042) 2.686 22.874 ( 0.406 -4.576 0.713) 4.649 23.786 ( -6.980 21.911 13.777) 26.807 24.370 ( 2.300 -7.656 6.846) 10.525 25.519 ( 10.826 -3.667 13.368) 17.588 25.673 ( -18.483 1.868 -18.174) 25.989 26.109 ( 0.432 -2.843 -3.138) 4.256 26.246 ( -1.157 -7.459 -3.705) 8.408 ======================= Grid point 146 (72/128) ======================= q-point: (-0.14 -0.14 0.22) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -22.569 0.000 25.595) 34.125 1.223 ( -22.276 0.000 16.722) 27.854 2.072 ( -15.004 0.000 39.390) 42.151 2.475 ( -1.700 0.000 5.824) 6.067 3.024 ( 2.076 -0.000 -0.572) 2.154 3.346 ( -2.986 0.000 4.410) 5.326 3.416 ( -12.935 0.000 22.537) 25.985 3.812 ( -18.182 0.000 37.059) 41.279 4.103 ( -3.996 0.000 7.086) 8.135 4.271 ( -9.876 0.000 17.990) 20.522 4.325 ( -3.259 0.000 -4.005) 5.164 4.473 ( -10.962 0.000 -7.266) 13.151 5.077 ( -3.253 0.000 -7.586) 8.254 5.153 ( 1.424 -0.000 -0.244) 1.445 5.291 ( -3.084 0.000 -2.066) 3.712 5.392 ( 2.518 -0.000 5.276) 5.846 5.768 ( -3.255 0.000 -7.743) 8.399 5.885 ( -2.289 0.000 -9.639) 9.907 6.218 ( -14.543 0.000 -11.696) 18.662 6.309 ( -0.014 0.000 -8.310) 8.310 6.467 ( 1.099 -0.000 -2.265) 2.517 6.484 ( -5.475 0.000 1.675) 5.725 6.852 ( 9.109 -0.000 -9.068) 12.853 7.112 ( -11.881 0.000 12.229) 17.050 7.189 ( 1.508 -0.000 -2.571) 2.981 7.509 ( -0.340 0.000 -12.741) 12.745 7.982 ( 3.102 -0.000 -1.132) 3.302 8.096 ( -5.783 0.000 3.133) 6.577 8.547 ( 4.183 -0.000 -1.357) 4.398 8.754 ( 6.262 -0.000 10.722) 12.417 8.864 ( 3.343 -0.000 -3.545) 4.873 9.325 ( -0.419 0.000 -1.712) 1.762 9.371 ( 9.563 -0.000 -0.808) 9.598 10.320 ( 14.019 -0.000 -12.164) 18.560 10.421 ( -1.024 0.000 6.011) 6.098 10.957 ( -13.375 0.000 1.187) 13.428 11.516 ( 5.576 -0.000 -8.691) 10.326 12.047 ( 11.499 -0.000 10.213) 15.380 12.335 ( -1.116 0.000 -0.433) 1.197 12.421 ( -3.378 0.000 -16.332) 16.677 12.914 ( 9.512 -0.000 -0.860) 9.551 13.184 ( 6.430 -0.000 24.110) 24.952 13.779 ( 22.103 -0.000 5.709) 22.828 14.027 ( -4.409 0.000 -2.318) 4.981 14.300 ( 5.424 -0.000 0.013) 5.424 14.887 ( -7.643 0.000 8.633) 11.530 15.262 ( 8.522 -0.000 -0.094) 8.522 15.401 ( -10.953 0.000 -8.466) 13.844 21.067 ( -16.289 0.000 -12.546) 20.561 21.196 ( 1.405 -0.000 -1.737) 2.234 21.610 ( -0.811 0.000 5.175) 5.239 22.332 ( -3.895 0.000 -3.863) 5.486 22.686 ( 2.040 -0.000 2.508) 3.233 22.842 ( 0.182 -0.000 0.859) 0.878 24.037 ( -4.903 0.000 3.616) 6.092 24.344 ( 10.080 -0.000 11.481) 15.278 25.283 ( -22.731 0.000 -17.296) 28.563 25.671 ( 5.673 -0.000 13.271) 14.433 26.073 ( 0.083 -0.000 -2.543) 2.544 26.143 ( -1.159 0.000 -4.341) 4.493 ======================= Grid point 147 (73/128) ======================= q-point: ( 0.00 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 5.607 -0.000 24.044) 24.689 1.924 ( 10.163 -0.000 25.124) 27.101 2.614 ( -0.907 0.000 5.363) 5.440 3.050 ( 4.830 -0.000 -8.273) 9.579 3.080 ( -8.281 0.000 -1.267) 8.378 3.250 ( 14.279 -0.000 19.666) 24.303 3.381 ( -3.193 0.000 1.263) 3.434 3.566 ( -15.725 0.000 -11.029) 19.207 4.216 ( -7.752 0.000 15.354) 17.200 4.423 ( -7.699 0.000 25.638) 26.769 4.428 ( 2.961 -0.000 -4.207) 5.144 4.682 ( -7.913 0.000 0.078) 7.914 4.705 ( -2.421 0.000 -12.373) 12.607 5.110 ( -6.541 0.000 35.049) 35.654 5.145 ( -2.161 0.000 -1.782) 2.801 5.303 ( 6.058 -0.000 -9.379) 11.166 5.687 ( -4.611 0.000 9.507) 10.566 5.996 ( 2.794 -0.000 -5.926) 6.552 6.030 ( 1.615 -0.000 7.440) 7.613 6.094 ( 3.076 -0.000 -6.938) 7.590 6.414 ( -10.520 0.000 4.369) 11.391 6.419 ( 11.503 -0.000 -9.631) 15.003 6.794 ( 5.619 -0.000 -9.366) 10.923 7.062 ( -12.458 0.000 10.877) 16.538 7.210 ( 5.853 -0.000 -6.475) 8.729 7.401 ( 10.433 -0.000 -0.782) 10.462 7.908 ( -3.326 0.000 -2.826) 4.364 8.117 ( -1.260 0.000 4.263) 4.445 8.511 ( 3.895 -0.000 -7.128) 8.123 8.583 ( 2.364 -0.000 -19.010) 19.156 9.002 ( -3.574 0.000 3.891) 5.283 9.196 ( 3.069 -0.000 -5.652) 6.431 9.757 ( 10.978 -0.000 5.626) 12.335 10.231 ( -8.260 0.000 -5.841) 10.117 10.690 ( -1.504 0.000 1.700) 2.269 10.976 ( 15.592 -0.000 7.924) 17.490 11.427 ( 3.103 -0.000 -3.542) 4.709 11.823 ( -8.485 0.000 -8.346) 11.902 12.023 ( -9.761 0.000 -4.880) 10.913 12.244 ( -2.916 0.000 -8.022) 8.536 13.241 ( 11.169 -0.000 4.277) 11.960 13.421 ( -11.460 0.000 9.321) 14.772 14.005 ( -29.985 0.000 -8.958) 31.294 14.151 ( 13.641 -0.000 0.063) 13.641 14.617 ( 3.641 -0.000 7.974) 8.766 14.656 ( 2.461 -0.000 3.654) 4.406 14.838 ( -6.057 0.000 3.760) 7.129 15.333 ( 3.155 -0.000 -6.635) 7.347 21.048 ( 8.787 -0.000 0.927) 8.835 21.160 ( 0.376 -0.000 -2.393) 2.423 21.783 ( -0.526 0.000 7.082) 7.101 22.176 ( 1.192 -0.000 -4.459) 4.615 22.834 ( 3.254 -0.000 1.680) 3.662 22.841 ( -1.722 0.000 0.329) 1.754 24.000 ( -5.392 0.000 4.526) 7.039 24.516 ( -3.196 0.000 -7.902) 8.524 25.014 ( 9.344 -0.000 12.109) 15.295 25.813 ( -9.201 0.000 5.131) 10.535 25.933 ( 1.912 -0.000 -10.366) 10.541 26.025 ( 1.555 -0.000 -1.894) 2.451 ======================= Grid point 148 (74/128) ======================= q-point: ( 0.14 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 9.178 -8.066 16.415) 20.464 2.275 ( 12.974 -7.802 15.540) 21.695 2.632 ( -0.226 1.338 2.958) 3.255 2.948 ( -1.632 11.815 1.037) 11.973 3.049 ( 0.559 -5.139 2.516) 5.750 3.288 ( -2.661 0.057 -0.764) 2.769 3.509 ( 6.443 -6.001 -0.487) 8.818 3.616 ( 8.368 -7.232 -4.549) 11.959 4.209 ( -3.407 -1.411 14.638) 15.095 4.416 ( -9.168 -0.108 24.448) 26.111 4.470 ( -0.564 -4.437 -7.807) 8.998 4.641 ( -2.513 -8.762 11.408) 14.603 4.812 ( 3.360 -11.106 -3.841) 12.222 5.045 ( -12.532 1.120 13.176) 18.219 5.144 ( -0.434 -3.094 -0.831) 3.233 5.460 ( 15.941 4.798 12.673) 20.922 5.648 ( -3.622 -1.632 6.219) 7.380 6.006 ( 0.954 -4.217 -7.815) 8.932 6.106 ( 3.175 -1.361 -4.346) 5.552 6.146 ( 0.452 -3.607 2.455) 4.386 6.258 ( -10.570 1.708 3.662) 11.316 6.567 ( 12.741 -1.037 -10.598) 16.605 6.830 ( 2.923 0.723 -5.592) 6.351 6.935 ( -6.081 0.760 8.860) 10.773 7.264 ( 5.579 1.251 -5.606) 8.007 7.551 ( 6.342 -0.490 -2.294) 6.762 7.840 ( -4.180 -1.505 -0.098) 4.444 8.123 ( 1.334 0.519 1.326) 1.951 8.352 ( 1.678 11.866 -11.697) 16.747 8.664 ( 2.871 -7.685 -12.806) 15.209 8.938 ( 0.092 5.493 3.147) 6.331 9.263 ( 4.446 -1.467 -3.930) 6.113 9.855 ( 6.679 6.332 3.724) 9.928 9.987 ( -15.993 1.684 -3.769) 16.517 10.727 ( 5.953 2.517 -5.417) 8.433 11.199 ( 10.063 0.167 8.086) 12.910 11.459 ( 2.521 2.593 -0.269) 3.626 11.580 ( -10.198 5.226 -2.456) 11.719 11.918 ( -10.456 -5.889 -3.863) 12.607 12.185 ( -2.379 -3.227 -7.675) 8.659 13.245 ( -16.250 3.618 13.966) 21.730 13.341 ( -3.272 4.797 2.967) 6.521 13.583 ( -19.420 -7.876 -7.312) 22.196 14.289 ( 15.149 8.801 4.199) 18.016 14.611 ( 0.017 2.882 3.568) 4.587 14.807 ( 3.241 -2.942 6.556) 7.882 14.839 ( 0.353 -3.850 2.053) 4.377 15.350 ( 2.123 -1.912 -8.776) 9.229 21.141 ( 2.264 1.105 -2.562) 3.593 21.184 ( 6.956 -0.856 -3.701) 7.926 21.802 ( -1.235 0.154 6.967) 7.077 22.194 ( 2.855 -1.240 -5.233) 6.088 22.785 ( -0.765 2.928 1.444) 3.353 22.914 ( 1.553 -2.894 -0.661) 3.350 23.846 ( -4.475 10.603 8.917) 14.559 24.514 ( -4.108 -6.283 -1.888) 7.740 25.236 ( 15.776 0.127 2.638) 15.995 25.721 ( -12.154 -4.065 6.454) 14.349 25.936 ( 3.287 -1.378 -10.958) 11.523 26.087 ( 2.408 -5.231 -0.959) 5.838 ======================= Grid point 149 (75/128) ======================= q-point: ( 0.29 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.025 -7.893 -0.159) 7.895 2.430 ( 7.968 3.260 1.165) 8.688 2.743 ( 6.027 -7.456 11.997) 15.357 2.795 ( -3.595 5.155 8.783) 10.800 3.106 ( -4.085 2.799 8.399) 9.750 3.320 ( 4.711 -4.308 -5.726) 8.575 3.661 ( 6.787 3.767 3.191) 8.393 3.831 ( 14.790 -7.221 -7.208) 17.968 4.287 ( 1.421 -3.690 7.877) 8.814 4.429 ( -8.309 -4.379 27.110) 28.691 4.523 ( -1.259 -6.401 0.889) 6.584 4.837 ( -5.372 -2.663 0.455) 6.013 4.924 ( -8.902 -8.552 13.900) 18.591 4.946 ( -0.291 -2.717 1.889) 3.322 5.258 ( 2.662 -9.132 1.069) 9.572 5.579 ( 2.138 3.188 15.792) 16.252 5.784 ( 7.406 -3.830 1.145) 8.416 6.064 ( -4.296 2.901 -3.274) 6.131 6.087 ( -5.528 -3.672 2.935) 7.257 6.172 ( 3.925 -10.903 -2.730) 11.905 6.282 ( 4.110 -4.673 2.378) 6.662 6.644 ( 4.320 0.978 -9.617) 10.588 6.823 ( 3.185 1.443 3.768) 5.140 6.980 ( 4.363 -3.445 -4.339) 7.052 7.257 ( 1.794 4.134 -4.250) 6.195 7.486 ( -2.940 6.328 -6.157) 9.306 7.915 ( 0.317 -5.974 4.662) 7.584 8.032 ( 1.373 11.378 -9.636) 14.973 8.278 ( 7.141 -1.661 -2.472) 7.737 8.750 ( 2.429 -4.686 -12.338) 13.420 8.883 ( 2.244 4.720 2.777) 5.918 9.213 ( -4.432 6.844 -3.855) 9.019 9.697 ( -6.036 9.326 0.797) 11.137 9.927 ( 1.657 -3.428 -2.362) 4.480 10.662 ( 2.539 7.661 -11.288) 13.876 11.181 ( -13.112 11.097 9.885) 19.819 11.329 ( 4.529 -0.169 3.841) 5.941 11.667 ( 9.054 -5.253 -0.598) 10.485 11.867 ( -11.006 -8.631 -1.944) 14.121 12.226 ( 1.435 -5.430 -4.224) 7.028 13.021 ( -15.677 2.513 16.381) 22.813 13.107 ( -14.339 1.111 -0.697) 14.399 13.592 ( 0.065 -3.033 -3.192) 4.404 14.324 ( 12.754 14.156 6.976) 20.291 14.632 ( 3.395 -2.635 -2.885) 5.176 14.874 ( -3.639 -2.542 8.022) 9.168 14.911 ( 1.888 -1.163 1.502) 2.679 15.373 ( 1.780 -2.273 -9.515) 9.943 21.131 ( 0.833 0.825 -2.635) 2.884 21.257 ( 4.927 0.238 -6.090) 7.837 21.803 ( -1.898 0.642 6.834) 7.122 22.241 ( 3.369 -2.118 -6.426) 7.559 22.737 ( -1.340 2.359 2.252) 3.526 22.962 ( 1.532 -1.577 -2.989) 3.710 23.700 ( -3.560 6.215 13.562) 15.337 24.540 ( -1.995 -2.578 1.160) 3.460 25.429 ( 12.874 1.311 -3.451) 13.392 25.645 ( -13.402 -5.097 7.639) 16.247 25.973 ( 5.053 -1.804 -10.546) 11.832 26.230 ( 3.828 -6.897 -0.639) 7.914 ======================= Grid point 150 (76/128) ======================= q-point: (-0.57 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -3.425 11.122 -5.774) 12.991 2.660 ( -2.434 -4.303 7.407) 8.905 2.734 ( 0.917 5.097 10.896) 12.064 2.786 ( -2.854 2.767 1.994) 4.447 3.175 ( 3.689 -5.099 12.908) 14.361 3.420 ( 5.005 -5.636 -8.847) 11.622 3.646 ( 4.839 8.188 2.747) 9.900 4.044 ( 5.661 0.546 7.248) 9.213 4.399 ( -5.423 -0.632 20.728) 21.435 4.563 ( 0.588 -6.529 5.951) 8.854 4.605 ( -5.655 -8.634 -6.389) 12.139 4.736 ( -7.420 -4.980 15.726) 18.087 4.915 ( -1.711 1.882 11.501) 11.779 5.057 ( 0.234 -4.135 -4.241) 5.927 5.427 ( 0.319 -0.403 4.335) 4.365 5.649 ( 0.828 -5.580 4.294) 7.089 5.817 ( -1.911 -1.572 1.483) 2.885 5.940 ( -4.162 3.273 3.032) 6.101 6.081 ( -5.425 -0.209 7.930) 9.610 6.366 ( 3.584 -1.569 -2.230) 4.503 6.454 ( 4.430 -5.858 3.261) 8.036 6.730 ( 6.939 -6.610 -10.318) 14.081 6.821 ( 1.442 6.371 -0.013) 6.532 7.071 ( -2.441 -0.718 -10.075) 10.392 7.163 ( 4.897 1.410 -7.808) 9.324 7.309 ( -6.151 2.728 0.499) 6.747 7.826 ( -4.885 -0.722 -5.652) 7.505 8.086 ( 10.553 1.361 3.284) 11.136 8.449 ( 7.981 -4.458 -1.507) 9.265 8.739 ( -2.546 0.459 -11.430) 11.719 8.907 ( 7.892 2.185 4.240) 9.222 8.977 ( -7.359 6.758 -4.369) 10.905 9.500 ( -1.872 7.238 -0.068) 7.476 9.927 ( -3.133 2.675 -8.189) 9.167 10.573 ( 5.737 2.143 -8.609) 10.565 10.958 ( -8.409 2.458 10.111) 13.378 11.384 ( 2.542 0.925 0.069) 2.706 11.849 ( -1.801 -8.127 -7.653) 11.307 11.894 ( 0.206 -7.327 8.194) 10.994 12.319 ( 2.183 -3.394 -1.564) 4.328 12.905 ( -2.619 4.950 14.691) 15.723 12.966 ( -11.774 -6.555 4.591) 14.237 13.584 ( -0.009 1.776 -3.882) 4.269 14.308 ( 10.385 11.026 6.112) 16.334 14.693 ( 4.203 2.602 -8.579) 9.902 14.870 ( -3.805 -3.799 6.374) 8.339 14.969 ( -1.746 -3.714 5.630) 6.967 15.377 ( 1.569 -0.166 -9.261) 9.394 21.120 ( 0.773 0.694 -2.425) 2.638 21.254 ( 0.297 1.248 -6.232) 6.362 21.793 ( -1.879 1.050 6.696) 7.034 22.285 ( 2.355 -1.872 -7.384) 7.973 22.693 ( -1.855 1.733 2.983) 3.917 22.979 ( 1.692 0.290 -3.968) 4.324 23.669 ( -3.384 0.138 15.549) 15.914 24.554 ( 0.398 0.059 2.204) 2.241 25.465 ( -8.942 -3.465 -5.419) 11.015 25.632 ( 3.683 0.593 7.549) 8.420 26.029 ( 5.252 -1.133 -9.476) 10.893 26.365 ( 3.505 -3.222 -1.285) 4.932 ======================= Grid point 151 (77/128) ======================= q-point: (-0.43 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -4.764 12.795 2.901) 13.958 2.427 ( -9.124 15.893 12.377) 22.114 2.678 ( 2.363 7.036 8.816) 11.524 2.912 ( -3.083 -8.064 2.287) 8.931 3.254 ( 0.104 3.183 6.554) 7.286 3.558 ( 0.671 -4.926 -3.705) 6.201 3.589 ( 2.878 6.218 -0.250) 6.857 4.116 ( 3.026 2.167 8.357) 9.149 4.340 ( -8.703 4.425 30.065) 31.611 4.478 ( -4.872 0.212 -11.469) 12.463 4.712 ( -9.924 -7.527 16.606) 20.758 4.808 ( -9.631 -8.572 7.601) 14.967 4.966 ( -1.286 -0.506 5.284) 5.462 5.117 ( 4.923 -2.325 -0.680) 5.487 5.360 ( -0.830 6.075 3.651) 7.136 5.573 ( -3.266 4.480 -6.814) 8.785 5.861 ( 1.003 5.451 11.423) 12.696 5.885 ( -8.304 8.445 0.434) 11.852 6.133 ( -0.442 -17.697 9.602) 20.139 6.408 ( -6.691 9.554 -4.295) 12.430 6.435 ( 4.871 -1.615 -4.367) 6.738 6.652 ( -2.548 12.585 -1.836) 12.971 6.803 ( 7.942 1.955 -7.448) 11.062 6.909 ( -6.661 2.650 -1.404) 7.305 7.138 ( -2.554 -1.302 -9.502) 9.925 7.483 ( 2.609 -19.648 -3.593) 20.143 7.830 ( 0.253 -4.441 -3.583) 5.712 8.206 ( 5.916 1.296 0.121) 6.058 8.421 ( -3.612 16.196 3.895) 17.045 8.663 ( 0.512 -5.419 -7.669) 9.404 8.811 ( 0.062 4.596 -3.632) 5.858 9.117 ( 8.516 -7.580 2.378) 11.646 9.436 ( 1.914 1.671 -1.034) 2.743 9.791 ( 0.387 0.471 -10.177) 10.195 10.597 ( 6.551 4.875 -6.084) 10.183 10.988 ( -2.534 -10.497 6.139) 12.422 11.352 ( -1.764 4.202 -0.232) 4.563 11.889 ( -9.028 -11.755 -5.152) 15.691 12.064 ( 7.845 -1.863 2.881) 8.563 12.364 ( 0.440 -1.343 -0.900) 1.676 12.920 ( 5.173 3.042 6.780) 9.055 13.027 ( -2.834 -9.473 14.561) 17.601 13.534 ( 0.529 1.875 -2.976) 3.557 14.332 ( 9.185 6.210 3.384) 11.593 14.583 ( 1.151 9.432 -4.686) 10.595 14.940 ( -8.432 -9.054 3.691) 12.911 15.041 ( 2.070 -3.912 2.681) 5.174 15.336 ( 1.377 2.974 -8.611) 9.214 21.098 ( -1.070 1.361 -2.629) 3.148 21.189 ( -2.070 1.308 -3.672) 4.414 21.777 ( -1.729 1.357 6.682) 7.035 22.292 ( 0.483 -0.490 -7.470) 7.502 22.665 ( -1.279 0.448 3.227) 3.500 22.970 ( 1.742 1.845 -3.195) 4.080 23.718 ( -4.988 -4.438 16.143) 17.469 24.576 ( 3.760 1.302 0.366) 3.996 25.316 ( -15.567 -2.874 -2.573) 16.038 25.728 ( 6.626 0.652 3.574) 7.557 26.062 ( 4.445 0.830 -7.816) 9.030 26.392 ( 0.975 3.178 -2.739) 4.307 ======================= Grid point 152 (78/128) ======================= q-point: (-0.29 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -3.552 10.790 13.395) 17.563 2.122 ( -8.173 16.140 20.903) 27.645 2.659 ( 3.633 5.500 8.424) 10.696 2.933 ( -4.070 -2.034 0.844) 4.628 3.170 ( -2.761 9.721 11.242) 15.116 3.443 ( -8.464 3.039 -4.944) 10.263 3.554 ( -2.547 3.257 -0.781) 4.208 4.125 ( 1.783 3.584 9.473) 10.284 4.270 ( -8.536 1.011 -3.378) 9.235 4.445 ( -3.536 -0.056 18.896) 19.224 4.667 ( -10.007 2.804 15.684) 18.815 4.826 ( -9.716 -9.216 -6.014) 14.680 4.929 ( -6.114 3.586 19.690) 20.927 5.140 ( -2.270 2.602 -4.669) 5.807 5.289 ( 0.199 3.838 4.015) 5.558 5.510 ( -2.259 5.763 -5.929) 8.571 5.552 ( -8.993 0.748 0.643) 9.047 5.862 ( 2.072 3.683 8.411) 9.413 6.152 ( -1.435 8.831 0.309) 8.952 6.345 ( -2.885 2.222 -1.096) 3.803 6.451 ( -1.260 3.593 -3.898) 5.449 6.532 ( 4.721 -3.928 -0.713) 6.183 6.702 ( -1.849 6.207 -6.887) 9.454 6.887 ( -0.550 -6.231 2.774) 6.842 7.156 ( 3.264 -2.664 -9.807) 10.674 7.671 ( -6.401 -1.257 -1.599) 6.717 7.898 ( 3.547 -3.098 -4.082) 6.232 8.137 ( -5.097 2.615 3.907) 6.934 8.250 ( 1.738 -0.677 -5.312) 5.630 8.727 ( 4.473 1.766 -11.061) 12.061 8.818 ( 3.284 -4.940 5.254) 7.924 9.260 ( 0.498 -2.508 -3.641) 4.449 9.456 ( 3.659 1.015 1.558) 4.104 9.937 ( 12.679 -8.811 -6.118) 16.608 10.582 ( 4.570 2.873 -1.120) 5.513 11.098 ( -9.369 -2.448 1.191) 9.757 11.270 ( 3.580 0.449 1.301) 3.836 11.915 ( -8.614 -10.398 -7.207) 15.306 12.180 ( 5.761 0.040 -0.796) 5.816 12.368 ( -0.697 0.358 -3.842) 3.921 12.973 ( 7.801 3.671 3.184) 9.191 13.303 ( 3.753 -13.245 15.547) 20.767 13.553 ( 3.324 -3.653 -0.171) 4.941 14.360 ( 4.986 5.896 -4.261) 8.819 14.471 ( 6.466 8.156 5.193) 11.632 14.923 ( -13.447 -6.864 3.494) 15.496 15.111 ( -6.215 -4.761 -6.426) 10.128 15.274 ( 5.832 4.942 -4.154) 8.700 21.011 ( -3.803 2.823 -0.204) 4.740 21.160 ( 0.255 -0.044 -1.683) 1.703 21.764 ( -1.408 1.219 6.876) 7.124 22.253 ( -0.841 0.957 -6.320) 6.447 22.680 ( 0.348 -1.556 2.896) 3.306 22.943 ( 1.274 2.961 -1.726) 3.656 23.805 ( -7.087 -9.055 14.918) 18.835 24.620 ( 8.721 3.269 -5.086) 10.612 25.115 ( -16.576 -0.706 1.983) 16.709 25.814 ( 4.385 -0.438 0.867) 4.491 26.059 ( 3.477 2.747 -5.752) 7.261 26.269 ( -2.511 8.776 -3.912) 9.931 ======================= Grid point 153 (79/128) ======================= q-point: (-0.14 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 1.390 3.752 21.698) 22.063 1.891 ( -4.139 14.022 27.129) 30.818 2.645 ( -1.310 3.988 7.239) 8.368 2.953 ( 2.500 -3.720 1.554) 4.744 3.062 ( 3.363 7.756 16.999) 18.985 3.263 ( -9.953 0.363 -8.124) 12.853 3.444 ( -3.338 3.618 0.738) 4.978 3.945 ( -15.014 8.126 -8.985) 19.292 4.225 ( -2.673 -2.969 7.097) 8.144 4.433 ( -9.218 0.979 26.111) 27.708 4.502 ( -0.640 11.351 2.975) 11.752 4.759 ( -9.427 -4.182 -7.605) 12.814 4.942 ( -8.561 6.984 -7.500) 13.354 4.970 ( -2.455 -2.344 31.679) 31.860 5.214 ( -3.875 3.513 0.973) 5.321 5.343 ( -3.636 -1.535 -8.473) 9.347 5.644 ( -0.131 -3.639 10.380) 11.000 5.903 ( 3.462 -1.025 6.586) 7.510 6.052 ( 2.876 5.408 -3.026) 6.832 6.180 ( -0.812 8.190 -4.737) 9.496 6.383 ( 4.484 4.418 -10.020) 11.833 6.504 ( -8.158 -1.768 3.494) 9.049 6.746 ( 7.954 -0.397 -8.229) 11.451 7.025 ( -4.027 -10.678 9.579) 14.900 7.192 ( 4.083 -1.006 -9.687) 10.560 7.444 ( -2.950 12.596 0.123) 12.937 7.941 ( -0.180 -0.618 -2.948) 3.018 8.109 ( -3.147 -2.079 4.436) 5.823 8.373 ( 4.271 -10.090 -10.032) 14.856 8.682 ( 4.423 5.009 -13.603) 15.155 8.967 ( -1.946 -6.605 6.736) 9.633 9.234 ( 0.031 1.973 -6.755) 7.037 9.557 ( 9.654 -1.476 3.785) 10.474 10.200 ( 8.354 -5.838 -6.470) 12.072 10.669 ( 4.618 -3.910 5.662) 8.287 10.901 ( -5.934 7.962 3.607) 10.565 11.374 ( 3.745 -2.825 -1.806) 5.027 11.904 ( -7.866 -7.237 -8.894) 13.905 12.184 ( -3.985 1.258 -6.415) 7.656 12.303 ( 0.404 2.617 -5.360) 5.979 13.077 ( 10.900 1.595 3.414) 11.533 13.473 ( -6.510 -4.729 8.764) 11.897 13.842 ( 13.054 -13.061 1.717) 18.546 14.273 ( 1.382 6.989 -4.284) 8.313 14.527 ( 5.892 2.598 8.858) 10.951 14.791 ( -18.727 -3.676 -3.531) 19.408 14.957 ( -9.057 2.697 -1.381) 9.551 15.309 ( 5.223 1.052 -3.837) 6.566 20.963 ( 2.180 1.534 3.323) 4.260 21.162 ( 0.550 -0.171 -1.918) 2.003 21.764 ( -0.781 0.565 7.073) 7.138 22.200 ( -0.435 1.024 -4.901) 5.026 22.746 ( 1.811 -3.150 2.371) 4.338 22.897 ( 0.212 3.572 -0.308) 3.591 23.933 ( -7.042 -12.247 9.778) 17.181 24.633 ( 8.763 7.545 -15.880) 19.644 24.942 ( -10.178 0.147 15.557) 18.591 25.864 ( 0.141 -1.108 0.062) 1.118 26.020 ( 0.615 4.864 -4.962) 6.976 26.064 ( -2.345 6.414 -3.709) 7.771 ======================= Grid point 155 (80/128) ======================= q-point: ( 0.14 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 2.948 -0.000 11.985) 12.342 2.454 ( 12.304 -0.000 9.278) 15.410 2.742 ( 6.008 -0.000 6.639) 8.954 3.055 ( 4.690 -0.000 5.436) 7.180 3.193 ( 0.758 -0.000 3.032) 3.125 3.194 ( 10.340 -0.000 -5.562) 11.741 3.454 ( 6.164 -0.000 -10.383) 12.075 3.819 ( 13.056 -0.000 16.762) 21.247 4.240 ( 2.349 -0.000 10.582) 10.840 4.400 ( -9.906 0.000 28.348) 30.029 4.407 ( 2.115 -0.000 -7.918) 8.196 4.597 ( -2.541 0.000 9.843) 10.166 4.760 ( 6.171 -0.000 1.443) 6.338 4.936 ( -11.357 0.000 7.552) 13.639 5.133 ( 4.771 -0.000 -6.924) 8.408 5.603 ( -3.747 0.000 8.964) 9.716 5.768 ( 13.197 -0.000 8.790) 15.857 5.900 ( 0.233 -0.000 -18.095) 18.096 6.086 ( -1.573 0.000 -1.654) 2.282 6.113 ( -11.264 0.000 7.655) 13.619 6.239 ( 7.919 -0.000 3.341) 8.595 6.700 ( 11.927 -0.000 -10.770) 16.070 6.859 ( 5.303 -0.000 -8.047) 9.637 6.865 ( -8.584 0.000 10.393) 13.479 7.350 ( 8.789 -0.000 -7.594) 11.615 7.657 ( 4.940 -0.000 1.962) 5.315 7.721 ( -7.373 0.000 -1.298) 7.486 8.149 ( 2.054 -0.000 -0.168) 2.060 8.504 ( 1.209 -0.000 -6.624) 6.734 8.527 ( 6.924 -0.000 -16.836) 18.204 9.049 ( 5.273 -0.000 2.084) 5.670 9.313 ( 5.246 -0.000 -0.419) 5.263 9.717 ( -19.528 0.000 -0.563) 19.536 9.987 ( 1.766 -0.000 2.067) 2.719 10.814 ( 7.129 -0.000 -14.115) 15.813 11.324 ( 1.496 -0.000 13.039) 13.124 11.457 ( -14.045 0.000 2.210) 14.218 11.551 ( 4.839 -0.000 -7.419) 8.858 11.683 ( -10.332 0.000 6.421) 12.164 12.084 ( -1.894 0.000 -7.149) 7.395 12.992 ( -27.707 0.000 8.781) 29.065 13.181 ( -12.134 0.000 2.403) 12.370 13.520 ( 5.856 -0.000 2.149) 6.238 14.535 ( 8.710 -0.000 -0.047) 8.710 14.700 ( 4.392 -0.000 5.405) 6.965 14.801 ( -3.357 0.000 8.153) 8.818 14.842 ( 2.165 -0.000 -0.047) 2.165 15.336 ( 4.398 -0.000 -8.968) 9.988 21.149 ( 0.658 -0.000 -2.924) 2.998 21.265 ( 7.046 -0.000 -6.655) 9.692 21.809 ( -2.351 0.000 6.965) 7.351 22.205 ( 3.584 -0.000 -6.214) 7.174 22.793 ( -1.179 0.000 -0.502) 1.281 22.912 ( 1.035 -0.000 1.139) 1.539 23.937 ( -1.620 0.000 4.365) 4.656 24.399 ( -3.290 0.000 4.870) 5.877 25.389 ( -0.109 0.000 3.199) 3.201 25.655 ( 6.151 -0.000 5.105) 7.994 25.937 ( 5.146 -0.000 -11.124) 12.256 26.059 ( 1.258 -0.000 -0.375) 1.313 ======================= Grid point 156 (81/128) ======================= q-point: ( 0.29 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.780 -6.760 6.920) 9.705 2.648 ( 11.358 1.172 -1.406) 11.504 2.785 ( 1.048 3.026 9.614) 10.133 3.056 ( 10.308 16.860 6.798) 20.899 3.181 ( 3.089 -1.524 7.740) 8.472 3.345 ( 5.921 2.619 -4.247) 7.743 3.663 ( 11.475 -10.644 -8.313) 17.723 4.060 ( 10.282 -1.261 12.755) 16.432 4.308 ( 1.325 1.065 9.381) 9.533 4.397 ( -4.896 0.824 25.400) 25.880 4.460 ( 1.597 -3.586 4.353) 5.862 4.679 ( -8.127 -10.013 13.163) 18.427 4.796 ( -0.955 2.794 -1.389) 3.263 4.944 ( 4.013 -4.901 6.045) 8.756 5.218 ( 7.469 -3.553 -5.613) 9.996 5.638 ( -0.050 -0.876 6.214) 6.276 5.836 ( -2.436 -2.345 -3.470) 4.845 5.925 ( 3.168 -11.241 -18.694) 22.042 5.994 ( -5.422 3.491 6.602) 9.229 6.088 ( -1.221 -1.109 6.463) 6.670 6.397 ( 12.504 1.648 4.160) 13.280 6.709 ( 0.075 5.223 -2.422) 5.757 6.850 ( -0.613 -2.991 1.919) 3.606 6.940 ( 4.739 -4.194 -7.612) 9.899 7.397 ( 6.545 7.931 -4.837) 11.364 7.549 ( 1.709 4.059 -6.350) 7.728 7.794 ( -4.556 -5.866 5.724) 9.377 8.179 ( 5.431 2.289 -5.867) 8.316 8.393 ( 6.350 6.556 -3.614) 9.817 8.660 ( 5.165 -5.521 -14.178) 16.068 9.040 ( 2.137 9.681 2.679) 10.270 9.276 ( -1.809 6.065 -1.432) 6.489 9.630 ( -3.740 -7.655 3.151) 9.084 9.931 ( -2.940 4.034 -2.117) 5.422 10.721 ( -2.220 6.393 -17.891) 19.128 11.197 ( -11.549 9.446 7.225) 16.577 11.403 ( 1.154 -0.618 9.602) 9.691 11.523 ( -16.329 -9.995 10.841) 22.002 11.721 ( 8.313 -1.095 -5.919) 10.264 12.132 ( 2.032 -8.611 -2.267) 9.133 12.731 ( -18.166 -4.785 3.251) 19.065 13.056 ( -7.042 2.703 11.383) 13.656 13.587 ( 2.077 -0.500 -1.315) 2.508 14.608 ( 2.031 -2.214 -5.628) 6.379 14.685 ( 4.610 9.608 3.195) 11.126 14.781 ( -6.800 -1.694 6.284) 9.413 14.911 ( 1.869 -3.111 1.976) 4.132 15.392 ( 7.570 0.481 -5.802) 9.550 21.144 ( 1.031 0.511 -2.805) 3.032 21.304 ( 4.135 1.375 -7.248) 8.457 21.801 ( -3.142 -0.255 6.961) 7.642 22.234 ( 3.423 -0.954 -7.189) 8.019 22.760 ( -1.043 2.121 0.712) 2.468 22.941 ( 0.364 -2.103 -0.830) 2.290 23.856 ( -0.270 9.253 8.611) 12.643 24.456 ( -1.570 -6.443 4.293) 7.900 25.334 ( -11.711 -2.480 8.265) 14.546 25.778 ( 14.084 6.836 -1.572) 15.734 25.982 ( 6.219 -1.263 -10.251) 12.056 26.157 ( 3.514 -8.241 -0.765) 8.991 ======================= Grid point 157 (82/128) ======================= q-point: (-0.57 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.351 -0.780 3.020) 3.399 2.669 ( 7.544 8.995 -2.355) 11.974 2.802 ( -0.683 0.845 6.628) 6.716 2.984 ( 3.250 12.325 7.454) 14.766 3.256 ( 2.231 0.315 10.545) 10.783 3.387 ( 7.548 -1.443 -5.921) 9.701 3.809 ( 3.171 4.042 2.889) 5.894 4.236 ( 9.114 2.281 0.156) 9.397 4.367 ( 1.515 -3.972 1.331) 4.455 4.451 ( -8.560 -1.996 33.024) 34.174 4.572 ( -11.702 -6.728 24.372) 27.860 4.600 ( 3.520 3.594 -7.136) 8.731 4.939 ( 3.163 -6.391 4.745) 8.565 5.035 ( 2.637 0.847 5.247) 5.933 5.387 ( 4.842 -7.304 0.499) 8.777 5.586 ( -4.060 0.220 -3.879) 5.619 5.811 ( -1.812 2.135 -5.746) 6.392 5.910 ( -4.924 -1.325 4.467) 6.779 6.108 ( 3.639 0.937 6.610) 7.603 6.246 ( 5.266 -17.512 -5.770) 19.176 6.517 ( 6.461 3.644 1.968) 7.674 6.650 ( 0.976 -2.028 -1.434) 2.669 6.848 ( -4.557 -0.457 -0.450) 4.602 7.003 ( 1.789 -0.818 -9.765) 9.961 7.272 ( 1.115 9.646 0.641) 9.731 7.534 ( 9.223 15.661 -4.461) 18.715 7.691 ( -6.988 -1.311 -4.991) 8.687 8.246 ( 5.324 -2.512 1.325) 6.035 8.472 ( 8.582 -1.574 -4.124) 9.651 8.699 ( 2.221 -1.218 -9.348) 9.685 8.930 ( 2.054 5.325 -0.771) 5.760 9.190 ( 4.355 9.465 2.133) 10.635 9.575 ( -4.354 7.486 -0.300) 8.665 9.862 ( -3.117 -0.898 -8.713) 9.297 10.566 ( -0.710 -2.771 -7.408) 7.941 10.943 ( -9.643 7.152 4.093) 12.685 11.441 ( 0.731 1.390 4.298) 4.576 11.513 ( -13.298 -10.485 7.266) 18.428 11.876 ( 5.496 -7.219 -1.860) 9.262 12.316 ( 5.290 -5.177 2.020) 7.672 12.655 ( -12.189 -11.165 3.657) 16.929 13.018 ( -0.298 2.332 14.973) 15.156 13.580 ( -0.514 0.703 -4.950) 5.026 14.545 ( -1.184 5.055 -3.262) 6.132 14.698 ( -1.813 -4.871 -3.253) 6.131 14.712 ( -5.920 -0.459 0.912) 6.008 14.984 ( 4.155 1.099 5.246) 6.782 15.451 ( 7.663 3.258 -4.207) 9.330 21.138 ( 1.266 0.804 -2.421) 2.847 21.270 ( 0.649 3.547 -5.631) 6.687 21.794 ( -2.949 -0.390 6.825) 7.445 22.261 ( 2.501 -1.070 -7.650) 8.119 22.712 ( -1.537 2.317 2.316) 3.619 22.974 ( 1.060 -1.845 -3.351) 3.970 23.769 ( -0.269 7.095 12.937) 14.757 24.550 ( 0.910 -4.195 1.733) 4.629 25.226 ( -13.691 -1.486 9.849) 16.931 25.830 ( 10.148 5.748 -3.273) 12.113 26.050 ( 6.281 -1.262 -8.806) 10.889 26.335 ( 4.312 -6.151 -2.359) 7.873 ======================= Grid point 158 (83/128) ======================= q-point: (-0.43 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 9.845 17.369 1.242) 20.004 2.588 ( -2.031 9.599 6.233) 11.624 2.804 ( -0.547 0.144 2.241) 2.311 2.857 ( -0.681 6.462 8.326) 10.562 3.277 ( -2.445 -0.022 2.753) 3.681 3.520 ( 4.022 -1.194 1.473) 4.447 3.718 ( -1.847 8.382 1.684) 8.747 4.246 ( 1.396 2.132 -3.336) 4.198 4.405 ( 1.007 3.968 -1.717) 4.439 4.490 ( -8.345 0.467 29.341) 30.508 4.571 ( 0.020 -2.945 5.998) 6.682 4.636 ( -5.971 -1.137 19.148) 20.090 5.010 ( -0.126 3.924 8.206) 9.097 5.137 ( 6.250 -4.899 0.028) 7.941 5.399 ( -3.810 1.064 -1.446) 4.212 5.531 ( -6.224 3.496 -5.134) 8.793 5.868 ( -2.714 3.746 -1.715) 4.933 5.894 ( 2.953 -14.145 9.006) 17.027 6.136 ( 2.101 7.360 13.216) 15.273 6.397 ( 0.528 -2.121 -2.685) 3.462 6.477 ( 0.430 5.619 -2.138) 6.027 6.679 ( -8.544 -2.017 2.680) 9.178 6.827 ( -7.917 11.444 -4.609) 14.659 6.945 ( 10.417 -6.502 -10.663) 16.264 7.166 ( 2.608 4.687 -1.802) 5.658 7.348 ( 4.143 5.987 -3.807) 8.216 7.753 ( 4.737 -5.795 -8.462) 11.297 8.284 ( -3.316 2.466 2.378) 4.768 8.599 ( 7.791 -3.204 -6.324) 10.534 8.633 ( -2.630 11.787 -3.487) 12.570 8.903 ( 5.371 5.836 -0.684) 7.961 9.124 ( 1.752 -1.260 -1.655) 2.719 9.487 ( 1.793 1.511 0.262) 2.359 9.778 ( 3.222 0.190 -9.819) 10.336 10.720 ( 9.407 -0.649 -11.070) 14.542 10.750 ( -12.990 -8.090 8.420) 17.466 11.422 ( 0.098 3.832 3.919) 5.482 11.541 ( -11.142 -11.680 3.277) 16.471 12.050 ( 3.499 -7.263 -1.630) 8.225 12.388 ( 1.711 1.573 -0.746) 2.441 12.792 ( -3.986 -15.461 9.245) 18.450 13.107 ( 4.778 -0.623 15.723) 16.444 13.524 ( -1.318 0.751 -6.470) 6.645 14.444 ( -3.868 0.324 -8.742) 9.565 14.621 ( -8.463 -0.608 9.430) 12.686 14.745 ( 0.723 -3.115 -8.448) 9.033 15.035 ( 2.831 1.425 2.801) 4.230 15.460 ( 6.453 5.858 -3.721) 9.477 21.126 ( 1.258 2.632 -1.930) 3.498 21.183 ( -1.309 3.105 -2.410) 4.143 21.788 ( -2.668 0.005 6.827) 7.330 22.266 ( 1.525 -0.135 -7.426) 7.582 22.675 ( -1.105 1.169 2.927) 3.340 22.994 ( 1.657 -0.249 -4.377) 4.687 23.729 ( -2.733 3.681 15.287) 15.959 24.634 ( 4.583 -2.410 -3.215) 6.095 25.089 ( -13.800 0.218 11.836) 18.182 25.865 ( 7.491 3.423 -4.102) 9.201 26.109 ( 5.468 0.170 -6.780) 8.712 26.409 ( 0.566 -0.164 -4.204) 4.245 ======================= Grid point 159 (84/128) ======================= q-point: (-0.29 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 13.735 22.860 3.374) 26.881 2.383 ( -2.755 15.007 14.331) 20.933 2.797 ( -1.212 1.111 1.915) 2.524 2.835 ( -3.501 -0.588 8.406) 9.125 3.230 ( -3.957 1.610 2.633) 5.019 3.437 ( -5.361 9.202 1.155) 10.712 3.585 ( -1.006 4.908 -2.525) 5.611 4.186 ( -9.619 1.228 1.640) 9.834 4.259 ( -0.551 8.259 -10.001) 12.983 4.469 ( -7.707 0.938 24.265) 25.477 4.628 ( 0.098 -1.018 -2.267) 2.487 4.757 ( 5.488 -1.633 30.348) 30.884 4.988 ( -2.186 3.854 14.545) 15.205 5.151 ( -2.158 4.891 -5.637) 7.769 5.302 ( -6.773 4.550 -1.810) 8.358 5.466 ( -1.045 -2.651 3.323) 4.378 5.641 ( -0.979 14.669 -0.830) 14.725 6.031 ( 0.680 8.785 10.536) 13.735 6.197 ( -1.888 -8.054 9.828) 12.846 6.344 ( 1.663 5.924 1.205) 6.270 6.457 ( -1.141 2.220 -7.994) 8.374 6.556 ( -4.297 1.651 -2.797) 5.386 6.628 ( -4.253 -3.736 6.031) 8.272 6.985 ( 7.509 11.640 -10.393) 17.318 7.150 ( 4.663 -1.290 -4.856) 6.855 7.486 ( 1.968 -12.085 -7.043) 14.125 7.874 ( 4.987 -3.821 -5.796) 8.548 8.150 ( -5.669 5.111 3.897) 8.570 8.292 ( -6.542 10.711 -8.929) 15.403 8.754 ( 7.669 -3.556 -7.534) 11.323 8.874 ( 1.530 5.243 4.044) 6.796 9.207 ( 2.864 -3.864 -6.336) 7.955 9.508 ( 2.784 -0.694 1.813) 3.394 9.936 ( 10.857 -8.318 -8.840) 16.285 10.608 ( -7.472 -1.211 4.039) 8.580 10.947 ( 4.495 -7.041 -6.299) 10.462 11.382 ( 1.223 4.300 7.348) 8.601 11.587 ( -9.158 -11.170 -0.818) 14.467 12.157 ( -0.101 -3.816 -3.838) 5.413 12.359 ( 0.054 1.706 -4.224) 4.556 13.037 ( 1.319 -10.956 9.977) 14.877 13.259 ( 0.701 -3.071 11.639) 12.057 13.538 ( 5.634 -5.338 -1.078) 7.836 14.323 ( -11.773 -2.250 -8.696) 14.808 14.585 ( -3.859 -0.677 6.837) 7.880 14.749 ( 1.807 0.472 -4.529) 4.899 15.021 ( -1.541 2.571 -0.648) 3.066 15.428 ( 5.151 6.097 -3.492) 8.712 21.066 ( 1.795 4.996 0.877) 5.380 21.155 ( 0.317 -0.170 -1.798) 1.833 21.782 ( -2.163 0.194 6.964) 7.295 22.244 ( 1.196 1.315 -6.481) 6.720 22.677 ( -0.014 -0.847 2.975) 3.094 22.988 ( 1.518 1.515 -4.029) 4.564 23.706 ( -6.175 -0.336 16.210) 17.350 24.717 ( 6.017 -1.916 -14.146) 15.491 24.965 ( -8.836 1.873 18.589) 20.668 25.891 ( 5.265 2.344 -5.072) 7.677 26.133 ( 4.089 2.324 -4.597) 6.576 26.314 ( -4.429 5.889 -5.261) 9.054 ======================= Grid point 160 (85/128) ======================= q-point: (-0.14 0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 12.236 17.283 10.470) 23.623 2.236 ( 4.895 13.394 18.639) 23.469 2.709 ( -5.895 5.046 5.377) 9.441 2.850 ( -3.417 -5.133 2.631) 6.705 3.145 ( -3.905 3.632 1.071) 5.440 3.293 ( 2.519 3.843 0.916) 4.685 3.488 ( -0.098 4.834 1.635) 5.104 3.878 ( -9.830 9.681 -14.924) 20.324 4.208 ( -1.577 0.726 8.398) 8.575 4.448 ( -7.815 1.659 23.673) 24.985 4.585 ( -2.154 2.509 -5.338) 6.279 4.846 ( -0.449 17.723 13.193) 22.099 4.970 ( -3.583 5.833 -0.660) 6.877 5.061 ( 5.033 -0.470 31.849) 32.248 5.185 ( -4.324 -2.078 -0.729) 4.852 5.276 ( -3.716 7.752 -2.825) 9.049 5.655 ( 2.505 -0.152 4.057) 4.770 5.990 ( 2.741 3.213 8.383) 9.387 6.197 ( 0.453 5.881 -5.280) 7.916 6.238 ( -2.053 5.732 0.611) 6.119 6.351 ( -8.368 -1.923 -1.104) 8.657 6.517 ( 7.680 5.174 -9.836) 13.509 6.753 ( 1.813 -6.561 2.759) 7.344 6.927 ( 0.642 -0.222 1.265) 1.436 7.208 ( 4.369 -0.611 -5.399) 6.972 7.549 ( 1.451 1.898 -6.266) 6.706 7.899 ( -2.778 0.042 -1.380) 3.102 8.088 ( 0.368 0.270 3.744) 3.772 8.204 ( 1.954 -8.639 -12.938) 15.679 8.775 ( 3.746 5.473 -10.481) 12.403 8.874 ( -2.696 -3.740 4.989) 6.793 9.249 ( 3.103 -0.169 -6.428) 7.140 9.635 ( 7.485 -5.168 2.212) 9.361 10.093 ( -2.643 -6.501 -9.637) 11.921 10.628 ( -1.480 -5.433 6.491) 8.593 11.043 ( 9.897 1.502 -3.289) 10.537 11.402 ( 0.628 -0.544 6.747) 6.797 11.614 ( -8.619 -8.506 -2.438) 12.352 12.116 ( -4.502 1.824 -7.707) 9.111 12.293 ( -1.695 2.698 -6.053) 6.840 13.224 ( 3.198 -4.006 8.660) 10.063 13.297 ( -8.319 -5.355 6.476) 11.825 13.864 ( 14.899 -12.162 4.672) 19.792 14.053 ( -24.707 0.187 -8.396) 26.095 14.578 ( -0.750 0.218 4.644) 4.709 14.766 ( 5.210 2.512 1.007) 5.871 14.923 ( -3.252 4.283 0.839) 5.443 15.391 ( 3.376 3.875 -5.475) 7.509 21.070 ( 6.079 1.880 0.715) 6.404 21.159 ( 1.169 -0.091 -2.287) 2.570 21.786 ( -1.364 -0.042 7.023) 7.155 22.211 ( 1.780 1.954 -5.376) 5.991 22.725 ( 0.586 -2.821 2.834) 4.041 22.954 ( 0.969 2.932 -2.780) 4.155 23.730 ( -6.945 -6.632 14.437) 17.339 24.668 ( -3.619 2.131 -10.582) 11.385 25.023 ( 8.873 0.389 11.651) 14.650 25.884 ( 1.072 3.079 -3.420) 4.725 26.050 ( -6.396 6.289 -5.982) 10.782 26.144 ( 2.225 6.005 -2.400) 6.839 ======================= Grid point 163 (86/128) ======================= q-point: ( 0.29 0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -2.556 0.000 8.954) 9.312 2.765 ( 6.356 -0.000 1.364) 6.501 2.891 ( 1.198 -0.000 8.201) 8.288 3.223 ( 3.360 -0.000 3.000) 4.504 3.401 ( 1.052 -0.000 4.060) 4.194 3.462 ( 9.673 -0.000 -1.178) 9.745 3.742 ( 24.854 -0.000 -14.260) 28.654 4.152 ( -0.981 0.000 19.631) 19.656 4.326 ( -10.736 0.000 36.999) 38.526 4.466 ( -7.678 0.000 -3.037) 8.256 4.483 ( 5.445 -0.000 0.680) 5.488 4.602 ( -0.631 0.000 24.787) 24.795 4.915 ( 9.800 -0.000 0.291) 9.804 4.982 ( 7.295 -0.000 5.038) 8.866 5.291 ( 10.830 -0.000 -9.057) 14.118 5.645 ( -9.657 0.000 -6.917) 11.878 5.743 ( 5.051 -0.000 12.096) 13.108 5.755 ( 2.590 -0.000 -21.025) 21.184 5.991 ( -3.342 0.000 -2.613) 4.242 6.112 ( 1.653 -0.000 6.919) 7.113 6.646 ( 12.772 -0.000 2.957) 13.110 6.744 ( -4.810 0.000 11.258) 12.242 6.784 ( 0.958 -0.000 -9.290) 9.339 6.930 ( 3.189 -0.000 -7.810) 8.436 7.531 ( 4.980 -0.000 -17.106) 17.816 7.612 ( 0.331 -0.000 4.375) 4.388 7.702 ( 2.352 -0.000 6.231) 6.660 8.274 ( 7.710 -0.000 -1.806) 7.918 8.498 ( 1.493 -0.000 -3.949) 4.222 8.632 ( 6.022 -0.000 -14.358) 15.569 9.205 ( -3.454 0.000 -2.648) 4.352 9.271 ( 6.935 -0.000 2.483) 7.366 9.559 ( 1.466 -0.000 6.576) 6.737 9.882 ( -7.221 0.000 -4.333) 8.421 10.599 ( -9.641 0.000 -17.965) 20.389 11.130 ( -21.813 0.000 11.116) 24.482 11.297 ( -0.083 0.000 3.537) 3.538 11.476 ( 0.747 -0.000 12.588) 12.610 11.819 ( 3.921 -0.000 2.928) 4.893 12.023 ( -0.105 0.000 -1.987) 1.989 12.512 ( -8.494 0.000 -0.320) 8.500 13.060 ( -3.931 0.000 16.438) 16.902 13.588 ( -0.091 0.000 -4.520) 4.521 14.578 ( -0.785 0.000 -6.488) 6.536 14.665 ( -7.794 0.000 -12.777) 14.967 14.680 ( -7.820 0.000 4.792) 9.172 15.029 ( 8.397 -0.000 11.154) 13.962 15.505 ( 9.116 -0.000 -2.498) 9.452 21.150 ( 1.029 -0.000 -2.532) 2.733 21.343 ( 3.772 -0.000 -7.387) 8.294 21.778 ( -3.945 0.000 7.446) 8.427 22.243 ( 3.473 -0.000 -7.871) 8.603 22.776 ( 0.023 -0.000 -0.253) 0.254 22.907 ( -1.792 0.000 0.727) 1.934 23.988 ( 2.050 -0.000 5.261) 5.646 24.382 ( -2.732 0.000 7.663) 8.135 25.225 ( -9.147 0.000 13.312) 16.152 26.020 ( 6.940 -0.000 -9.356) 11.649 26.072 ( 16.141 -0.000 -6.168) 17.279 26.077 ( 0.292 -0.000 -0.906) 0.952 ======================= Grid point 164 (87/128) ======================= q-point: ( 0.43 0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -3.311 -7.263 8.297) 11.514 2.822 ( -0.673 0.097 4.176) 4.231 2.918 ( 6.281 4.680 1.962) 8.075 3.233 ( -1.433 8.099 -2.070) 8.481 3.287 ( -0.989 5.720 4.069) 7.089 3.564 ( 9.772 3.397 2.479) 10.638 3.987 ( 10.544 6.366 1.474) 12.404 4.216 ( 0.253 -5.501 1.746) 5.777 4.270 ( -14.313 -2.219 1.863) 14.603 4.451 ( -2.295 -2.001 34.369) 34.504 4.610 ( 1.477 0.440 19.146) 19.208 4.692 ( 3.651 -1.954 7.313) 8.404 5.002 ( 10.139 3.071 -1.027) 10.643 5.115 ( 2.251 -0.190 9.484) 9.750 5.392 ( 3.529 0.212 -4.447) 5.681 5.483 ( -3.639 -1.607 -9.177) 10.002 5.746 ( 3.464 -3.524 -9.512) 10.719 5.893 ( -3.387 3.513 -1.079) 4.998 6.011 ( 1.486 -12.093 1.711) 12.303 6.235 ( 12.244 -3.838 0.842) 12.859 6.629 ( -7.487 1.594 9.293) 12.040 6.718 ( -0.173 3.920 -2.102) 4.452 6.806 ( 7.312 4.737 -3.926) 9.556 6.987 ( 5.193 -1.643 -7.393) 9.183 7.476 ( -4.358 7.684 4.992) 10.146 7.541 ( 4.380 0.091 -8.981) 9.993 7.866 ( 9.304 2.886 -1.145) 9.808 8.226 ( -0.696 6.644 -4.019) 7.797 8.584 ( 6.546 -2.149 -0.883) 6.946 8.643 ( 2.414 -4.345 -8.519) 9.863 9.131 ( 7.920 8.454 -0.805) 11.612 9.325 ( -2.860 4.278 0.535) 5.174 9.605 ( -2.965 2.619 1.963) 4.416 9.747 ( -2.414 -2.264 -8.834) 9.433 10.439 ( -4.727 -3.597 -6.196) 8.584 10.866 ( -16.624 2.325 6.354) 17.948 11.317 ( -2.484 -0.696 4.251) 4.972 11.501 ( -0.470 1.653 5.071) 5.354 11.865 ( 4.550 -1.704 2.590) 5.506 12.206 ( -0.733 -17.248 7.354) 18.765 12.447 ( -1.856 -0.034 -1.791) 2.580 13.097 ( -1.455 -0.059 18.748) 18.805 13.542 ( -2.151 0.206 -8.271) 8.549 14.455 ( -9.158 1.361 -7.535) 11.937 14.539 ( -8.223 -2.973 -3.824) 9.544 14.644 ( 0.174 -2.863 -7.878) 8.384 15.150 ( 5.635 3.283 10.560) 12.412 15.595 ( 7.331 2.339 -2.067) 7.967 21.151 ( 0.868 0.225 -1.992) 2.185 21.330 ( 2.571 3.709 -6.083) 7.574 21.765 ( -3.598 -0.977 7.486) 8.363 22.258 ( 3.316 -0.188 -8.055) 8.713 22.745 ( -0.892 2.980 1.555) 3.478 22.918 ( -1.037 -3.729 -1.335) 4.094 23.961 ( 1.626 8.825 8.974) 12.691 24.452 ( -1.786 -7.747 3.699) 8.769 25.158 ( -7.154 2.706 16.107) 17.831 26.013 ( 4.294 5.401 -4.520) 8.249 26.088 ( 6.437 -0.813 -7.264) 9.740 26.297 ( 7.373 -5.542 -6.256) 11.145 ======================= Grid point 165 (88/128) ======================= q-point: (-0.43 0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -2.236 -9.371 7.843) 12.423 2.804 ( -4.295 1.615 7.550) 8.835 2.884 ( 6.962 12.353 -3.850) 14.693 2.984 ( -3.044 11.474 -1.242) 11.936 3.261 ( -1.431 1.005 2.766) 3.273 3.636 ( 5.299 3.643 4.584) 7.897 3.874 ( -2.739 13.571 7.992) 15.986 4.090 ( -17.740 -4.811 0.264) 18.383 4.338 ( 6.723 -2.411 -10.806) 12.953 4.594 ( -4.071 2.503 32.548) 32.897 4.680 ( -1.327 -0.893 27.717) 27.763 4.751 ( 6.591 5.826 -3.356) 9.415 5.131 ( 0.373 3.904 9.126) 9.934 5.157 ( 7.994 -5.180 1.550) 9.651 5.322 ( -3.518 0.039 -2.573) 4.359 5.484 ( -3.272 2.273 -4.656) 6.128 5.818 ( 4.196 -5.233 1.149) 6.805 5.877 ( 1.030 -2.170 1.147) 2.662 6.159 ( -0.637 -8.425 0.221) 8.452 6.392 ( 2.897 1.126 -2.832) 4.204 6.534 ( -8.789 1.559 5.611) 10.543 6.640 ( 0.100 4.689 1.632) 4.966 6.880 ( 4.895 3.416 -2.788) 6.588 6.947 ( 4.414 3.212 -9.218) 10.713 7.314 ( 2.625 9.024 4.798) 10.552 7.566 ( 3.068 6.517 -4.323) 8.400 7.811 ( 11.795 9.345 -7.610) 16.863 8.195 ( -4.546 -4.633 -2.785) 7.063 8.650 ( -4.137 1.505 -8.093) 9.212 8.682 ( 2.988 2.534 -3.066) 4.975 9.105 ( 0.099 5.854 3.935) 7.055 9.124 ( 0.661 4.438 -4.889) 6.635 9.538 ( 1.189 2.688 1.507) 3.303 9.775 ( 4.628 -3.333 -10.675) 12.103 10.479 ( -10.542 -5.798 9.165) 15.125 10.735 ( 1.487 -4.607 -5.613) 7.413 11.304 ( -4.822 -2.682 4.314) 7.004 11.504 ( 1.974 1.050 2.252) 3.174 11.999 ( 4.556 -4.771 -0.032) 6.597 12.408 ( -2.752 -1.659 -2.848) 4.294 12.530 ( 1.178 -15.662 12.497) 20.072 13.189 ( -0.366 -2.365 18.871) 19.022 13.462 ( -2.858 -0.709 -9.510) 9.956 14.275 ( -10.784 0.080 -6.353) 12.516 14.495 ( -3.014 -4.089 -3.768) 6.325 14.674 ( 0.697 -4.571 -9.593) 10.649 15.178 ( 2.532 5.787 9.100) 11.077 15.612 ( 4.583 4.736 -2.849) 7.180 21.151 ( 0.663 0.128 -1.505) 1.649 21.257 ( 1.973 6.174 -3.534) 7.382 21.767 ( -3.231 -1.033 7.231) 7.987 22.269 ( 3.215 0.316 -7.775) 8.419 22.696 ( -1.262 2.058 2.830) 3.720 22.962 ( 0.374 -3.304 -3.831) 5.073 23.868 ( -1.415 9.101 12.764) 15.740 24.563 ( -0.196 -7.340 -3.148) 7.989 25.085 ( -4.649 5.244 19.485) 20.706 25.985 ( 4.625 3.321 -6.482) 8.628 26.154 ( 5.001 -0.582 -5.274) 7.291 26.379 ( 0.603 -1.234 -6.970) 7.104 ======================= Grid point 166 (89/128) ======================= q-point: (-0.29 0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -0.696 -1.088 6.476) 6.604 2.647 ( -1.594 11.153 -0.912) 11.303 2.741 ( 0.560 9.537 1.195) 9.628 2.887 ( -0.686 1.617 6.029) 6.280 3.230 ( -2.723 1.848 6.274) 7.085 3.564 ( -4.075 11.309 2.716) 12.324 3.637 ( -4.837 8.023 -0.715) 9.396 3.954 ( -11.935 -4.610 2.171) 12.977 4.359 ( 6.598 5.517 -11.927) 14.704 4.559 ( -5.281 6.041 24.031) 25.335 4.705 ( 2.373 5.089 2.898) 6.318 4.840 ( -3.375 -4.559 24.943) 25.580 5.107 ( 0.710 2.944 6.283) 6.975 5.222 ( 1.482 4.879 -1.347) 5.274 5.278 ( -5.943 6.774 1.880) 9.205 5.449 ( 4.372 -6.643 4.822) 9.300 5.859 ( 1.994 8.159 1.268) 8.495 6.038 ( 0.200 -11.182 9.819) 14.883 6.226 ( -0.356 1.636 6.779) 6.983 6.368 ( -8.472 0.915 -6.536) 10.739 6.457 ( 2.984 -6.606 -1.579) 7.419 6.518 ( -4.127 20.944 6.962) 22.453 6.645 ( 1.506 2.038 0.709) 2.631 7.117 ( 6.034 -6.503 -11.119) 14.224 7.318 ( 8.182 15.198 -3.623) 17.637 7.405 ( 5.050 2.892 -5.928) 8.307 7.880 ( 2.570 -1.128 -2.817) 3.976 8.155 ( 0.619 1.650 -4.618) 4.942 8.288 ( -11.262 10.285 -8.393) 17.409 8.761 ( 3.422 -3.556 -5.879) 7.676 8.986 ( -5.119 6.902 2.951) 9.085 9.173 ( 4.518 -2.798 -3.874) 6.577 9.540 ( 0.755 -0.518 0.206) 0.938 9.899 ( 6.347 -5.828 -10.225) 13.372 10.423 ( -9.087 -5.359 9.333) 14.085 10.919 ( 7.036 -8.314 -5.378) 12.147 11.302 ( -4.899 -3.089 3.420) 6.726 11.545 ( 4.511 0.968 3.065) 5.539 12.098 ( 1.625 -2.137 -2.538) 3.694 12.374 ( 0.491 1.500 -5.051) 5.292 12.840 ( -2.036 -15.857 13.150) 20.701 13.243 ( -6.048 -1.195 8.494) 10.495 13.512 ( 4.544 -8.768 2.555) 10.201 14.080 ( -12.080 1.316 -6.713) 13.882 14.541 ( 2.581 -3.252 -3.390) 5.360 14.722 ( 1.231 -4.753 -7.161) 8.682 15.121 ( -0.825 7.548 8.180) 11.161 15.557 ( 1.924 5.808 -4.344) 7.504 21.146 ( -0.417 0.589 -1.438) 1.609 21.195 ( 4.492 4.598 -2.106) 6.764 21.771 ( -2.741 -0.912 7.161) 7.722 22.269 ( 3.305 1.338 -7.142) 7.982 22.678 ( -0.722 0.010 3.196) 3.277 22.988 ( 0.914 -1.228 -5.062) 5.288 23.753 ( -5.135 7.006 15.193) 17.501 24.623 ( -1.871 -4.241 -6.756) 8.193 25.075 ( 2.721 3.612 18.227) 18.780 25.974 ( 4.552 2.553 -7.849) 9.426 26.176 ( -0.682 1.406 -4.244) 4.522 26.309 ( -1.857 3.078 -5.723) 6.758 ======================= Grid point 167 (90/128) ======================= q-point: (-0.14 0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -4.146 0.779 -4.347) 6.057 2.454 ( 6.405 17.846 6.901) 20.177 2.713 ( -2.288 -2.537 6.443) 7.293 2.842 ( -2.118 7.538 11.352) 13.790 3.167 ( -7.590 1.635 8.303) 11.368 3.371 ( 2.703 6.616 -6.548) 9.693 3.513 ( -0.985 -0.912 -0.523) 1.441 3.883 ( 0.628 5.123 -1.422) 5.353 4.298 ( 4.665 6.225 -1.446) 7.912 4.502 ( -6.940 4.957 25.247) 26.649 4.640 ( 0.456 6.738 0.268) 6.759 4.927 ( -6.553 -3.858 15.452) 17.222 5.010 ( -10.401 3.676 -3.615) 11.608 5.097 ( -0.946 5.410 4.156) 6.887 5.283 ( 5.718 2.465 11.219) 12.831 5.520 ( 1.672 8.740 12.891) 15.664 5.779 ( 5.398 7.057 1.945) 9.095 6.121 ( -3.526 3.535 5.441) 7.385 6.167 ( -6.583 1.199 2.470) 7.133 6.244 ( 1.122 4.147 4.463) 6.194 6.309 ( -0.372 0.824 -2.133) 2.317 6.615 ( 7.599 -2.467 -9.644) 12.524 6.716 ( 3.153 -2.790 5.689) 7.077 7.051 ( 3.859 14.705 -7.384) 16.901 7.213 ( 1.693 -3.274 -6.774) 7.712 7.492 ( 0.344 -2.962 -6.982) 7.592 7.848 ( -1.153 -3.452 -3.661) 5.162 8.067 ( -4.581 2.711 -3.789) 6.534 8.205 ( 10.071 1.995 -3.961) 11.004 8.807 ( -4.221 -2.772 5.767) 7.665 8.846 ( 2.023 3.778 -11.239) 12.029 9.216 ( -1.456 -2.261 -4.811) 5.511 9.592 ( -1.864 -8.000 -1.196) 8.301 9.964 ( 0.889 -0.640 -6.226) 6.321 10.521 ( 1.105 -8.882 1.361) 9.054 11.091 ( -0.125 -8.580 1.442) 8.701 11.294 ( -1.809 -0.925 1.961) 2.824 11.613 ( 6.228 2.399 3.723) 7.642 12.073 ( -2.258 3.127 -5.710) 6.890 12.313 ( 0.156 4.147 -5.156) 6.618 13.020 ( -10.203 -10.422 11.599) 18.635 13.223 ( -6.322 -2.965 6.927) 9.836 13.733 ( -9.577 -5.552 -1.926) 11.236 13.930 ( 8.952 -4.047 1.421) 9.926 14.609 ( 4.139 -0.198 -2.081) 4.637 14.802 ( 2.996 -4.268 -2.368) 5.727 15.007 ( -2.845 7.697 8.300) 11.672 15.460 ( 0.230 4.793 -7.159) 8.618 21.126 ( 0.402 0.287 -1.903) 1.966 21.213 ( 5.530 1.426 -3.622) 6.763 21.784 ( -1.967 -1.019 7.058) 7.397 22.258 ( 3.429 2.258 -6.476) 7.668 22.701 ( -0.464 -1.926 3.196) 3.761 22.982 ( 0.953 0.776 -4.659) 4.819 23.667 ( -6.100 1.445 15.883) 17.075 24.595 ( -3.470 -0.568 -2.440) 4.280 25.210 ( 11.126 -0.457 7.830) 13.613 25.930 ( -4.889 5.905 -3.260) 8.331 26.008 ( -3.686 3.359 -8.694) 10.023 26.267 ( 4.004 4.243 -1.703) 6.078 ======================= Grid point 171 (91/128) ======================= q-point: (-0.57 -0.57 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -4.829 0.000 7.721) 9.106 2.809 ( -3.150 0.000 0.915) 3.280 3.029 ( 2.827 -0.000 8.649) 9.100 3.235 ( -4.470 0.000 1.766) 4.806 3.341 ( -4.622 0.000 -0.121) 4.624 3.624 ( -4.265 0.000 5.339) 6.833 4.052 ( -10.620 0.000 -1.270) 10.696 4.229 ( -2.133 0.000 16.244) 16.383 4.262 ( 18.185 -0.000 -12.466) 22.047 4.549 ( -1.961 0.000 32.825) 32.883 4.683 ( 5.090 -0.000 6.387) 8.167 4.732 ( -5.668 0.000 22.898) 23.589 5.167 ( 4.905 -0.000 6.047) 7.786 5.176 ( 4.358 -0.000 -3.734) 5.739 5.337 ( -3.500 0.000 -3.966) 5.290 5.474 ( 7.196 -0.000 -12.412) 14.347 5.763 ( 7.835 -0.000 -9.531) 12.338 5.862 ( -5.189 0.000 -3.094) 6.041 5.935 ( -1.692 0.000 6.642) 6.854 6.380 ( 13.133 -0.000 -2.150) 13.307 6.577 ( -8.404 0.000 13.169) 15.622 6.656 ( -3.818 0.000 -5.423) 6.632 6.896 ( 1.692 -0.000 -12.372) 12.487 7.193 ( 20.636 -0.000 2.667) 20.808 7.361 ( -5.885 0.000 -3.048) 6.627 7.747 ( 2.830 -0.000 7.907) 8.398 7.880 ( 8.796 -0.000 -10.704) 13.854 8.452 ( 3.009 -0.000 -1.066) 3.192 8.515 ( 0.669 -0.000 1.774) 1.896 8.579 ( 0.340 -0.000 -9.303) 9.309 9.231 ( -14.720 0.000 1.936) 14.847 9.282 ( 1.433 -0.000 -3.513) 3.794 9.632 ( 5.443 -0.000 -0.772) 5.497 9.669 ( -3.262 0.000 -6.206) 7.011 10.355 ( 3.653 -0.000 -1.935) 4.134 10.687 ( -13.588 0.000 6.737) 15.167 11.351 ( 2.515 -0.000 -1.562) 2.960 11.507 ( -2.641 0.000 3.178) 4.132 11.974 ( 2.175 -0.000 15.935) 16.083 12.033 ( 2.057 -0.000 -0.560) 2.131 12.461 ( 2.475 -0.000 -0.341) 2.499 13.149 ( -2.541 0.000 20.552) 20.709 13.452 ( -4.711 0.000 -11.369) 12.306 14.302 ( -13.114 0.000 0.473) 13.122 14.409 ( 1.414 -0.000 -14.080) 14.151 14.573 ( -1.078 0.000 -9.963) 10.021 15.281 ( 2.270 -0.000 11.280) 11.506 15.690 ( 4.571 -0.000 -2.130) 5.043 21.154 ( 0.416 -0.000 -1.309) 1.374 21.375 ( 3.089 -0.000 -7.103) 7.745 21.741 ( -3.351 0.000 7.945) 8.623 22.272 ( 3.839 -0.000 -8.173) 9.029 22.783 ( 0.393 -0.000 0.531) 0.661 22.842 ( -3.157 0.000 1.065) 3.331 24.116 ( 2.975 -0.000 5.888) 6.597 24.353 ( -3.909 0.000 6.936) 7.962 25.193 ( -2.768 0.000 17.386) 17.605 26.057 ( 0.019 -0.000 -3.609) 3.609 26.138 ( 5.331 -0.000 -5.373) 7.569 26.325 ( 6.214 -0.000 -10.485) 12.188 ======================= Grid point 172 (92/128) ======================= q-point: (-0.43 -0.57 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -4.184 -9.198 7.483) 12.575 2.763 ( -5.018 -1.052 2.943) 5.912 2.950 ( -12.900 8.861 3.065) 15.948 3.163 ( 2.145 1.814 4.498) 5.303 3.281 ( -1.453 1.979 4.061) 4.745 3.561 ( -15.549 -5.456 -0.572) 16.489 3.932 ( -1.165 4.313 3.456) 5.648 4.115 ( -3.362 14.538 9.569) 17.726 4.435 ( 13.015 0.887 -8.738) 15.701 4.657 ( -6.386 -2.379 20.159) 21.280 4.713 ( -7.574 2.281 30.057) 31.080 4.863 ( 4.154 -7.502 5.673) 10.282 5.155 ( -0.679 1.418 2.266) 2.758 5.227 ( 2.502 1.164 2.826) 3.950 5.331 ( 2.805 2.844 -0.757) 4.065 5.497 ( 3.841 2.675 -10.925) 11.885 5.777 ( -3.694 -3.808 -1.153) 5.430 5.859 ( 4.263 -3.389 -0.337) 5.456 5.987 ( -1.887 -8.076 -2.076) 8.549 6.468 ( 3.126 5.288 -7.315) 9.552 6.505 ( -5.626 3.208 12.212) 13.823 6.624 ( -0.301 -2.128 -2.776) 3.511 6.887 ( 2.641 -4.092 -12.042) 12.989 7.187 ( 2.439 12.279 1.691) 12.633 7.508 ( 12.472 1.426 1.688) 12.666 7.699 ( 5.208 6.712 1.957) 8.718 8.029 ( -4.108 -4.834 -7.760) 10.023 8.182 ( 6.942 16.290 -1.941) 17.813 8.545 ( -4.907 -0.453 -6.190) 7.912 8.680 ( -1.068 -1.691 -2.721) 3.377 8.986 ( -16.888 -2.906 3.930) 17.581 9.235 ( 1.851 3.606 -1.608) 4.361 9.565 ( -6.053 1.110 -2.737) 6.735 9.741 ( 6.344 -3.494 -6.223) 9.549 10.438 ( 1.251 5.191 5.137) 7.410 10.646 ( 4.689 -7.350 1.571) 8.859 11.326 ( 1.917 4.026 -0.989) 4.568 11.513 ( -0.795 -2.766 1.129) 3.091 12.043 ( 6.802 -0.088 1.988) 7.087 12.217 ( -1.118 -11.348 7.365) 13.575 12.522 ( 4.723 -1.877 4.781) 6.978 13.210 ( -3.819 -0.561 18.004) 18.413 13.330 ( -6.293 -2.937 -8.870) 11.265 14.128 ( -8.937 1.220 -2.943) 9.487 14.437 ( 5.975 -1.568 -9.321) 11.182 14.546 ( -0.675 -5.136 -10.708) 11.895 15.310 ( -1.032 3.514 10.855) 11.456 15.699 ( 1.295 2.639 -3.072) 4.252 21.153 ( 0.103 0.124 -0.775) 0.791 21.351 ( 2.489 3.681 -6.741) 8.074 21.739 ( -3.024 -0.847 7.551) 8.178 22.291 ( 4.043 0.234 -8.041) 9.003 22.731 ( -1.486 3.439 2.625) 4.574 22.878 ( -0.716 -5.112 -1.279) 5.318 24.060 ( -0.898 10.628 9.514) 14.293 24.423 ( -1.655 -8.061 2.146) 8.504 25.220 ( 0.207 3.949 18.571) 18.987 26.032 ( 1.340 1.007 -5.806) 6.043 26.182 ( 2.946 -0.251 -4.119) 5.071 26.326 ( -1.002 -0.916 -10.217) 10.307 ======================= Grid point 173 (93/128) ======================= q-point: (-0.29 -0.57 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -6.119 -10.805 7.633) 14.576 2.615 ( -10.871 5.830 3.106) 12.720 2.771 ( -8.293 -5.349 2.402) 10.156 3.115 ( 4.056 14.722 -2.304) 15.443 3.214 ( -10.346 -1.596 9.679) 14.257 3.419 ( -8.167 -2.387 -1.305) 8.608 3.813 ( -5.630 12.362 2.519) 13.815 3.938 ( 2.818 5.398 10.039) 11.741 4.520 ( 3.050 4.599 -2.546) 6.077 4.580 ( -4.328 -0.371 11.340) 12.144 4.774 ( -4.822 1.053 29.509) 29.919 4.936 ( 1.613 4.562 0.280) 4.847 5.147 ( -4.553 1.037 5.544) 7.248 5.237 ( -3.229 7.921 -2.668) 8.960 5.303 ( 0.385 -8.000 0.318) 8.015 5.460 ( 3.298 1.171 6.300) 7.207 5.895 ( 0.141 -5.799 -3.164) 6.607 5.930 ( -0.506 -4.760 8.204) 9.499 6.143 ( 1.807 -11.222 -1.951) 11.533 6.290 ( -5.221 5.648 -7.096) 10.465 6.454 ( 1.969 3.311 0.322) 3.866 6.657 ( 0.255 -2.269 1.370) 2.663 6.858 ( -4.142 12.040 1.397) 12.809 7.061 ( 5.570 3.341 -7.923) 10.245 7.567 ( 7.389 7.568 1.142) 10.638 7.673 ( 5.534 11.150 -3.342) 12.889 7.803 ( -8.842 1.599 -7.755) 11.869 8.245 ( -3.524 3.847 -0.312) 5.227 8.308 ( 9.717 10.215 -8.034) 16.227 8.641 ( -7.135 -5.595 -1.993) 9.284 8.909 ( -8.658 -3.234 0.745) 9.272 9.245 ( 4.356 2.680 -0.255) 5.121 9.433 ( -10.741 -1.755 -2.049) 11.074 9.867 ( 4.838 -5.327 -7.601) 10.467 10.375 ( 1.073 2.455 3.652) 4.529 10.878 ( 7.267 -4.169 4.238) 9.389 11.319 ( 4.756 1.778 -4.052) 6.496 11.583 ( 1.929 -4.678 3.747) 6.297 12.133 ( 5.745 1.530 -2.419) 6.418 12.351 ( 1.736 -4.269 -1.756) 4.932 12.696 ( 1.101 -6.641 12.136) 13.878 13.142 ( -8.201 -2.324 2.723) 8.948 13.408 ( -1.371 -8.536 9.594) 12.915 13.996 ( -2.219 2.794 -4.719) 5.916 14.496 ( 1.133 -6.013 -10.008) 11.730 14.649 ( 7.303 -4.408 -3.734) 9.311 15.244 ( -3.740 6.231 10.184) 12.511 15.620 ( -1.717 4.685 -4.825) 6.941 21.143 ( -0.288 0.545 -0.935) 1.120 21.295 ( 2.451 3.505 -6.166) 7.504 21.747 ( -2.640 -1.167 7.236) 7.791 22.305 ( 3.920 0.710 -7.783) 8.743 22.686 ( -1.461 1.214 3.419) 3.911 22.936 ( 0.218 -3.688 -3.450) 5.055 23.893 ( -4.693 11.170 13.086) 17.834 24.513 ( -1.188 -4.996 -1.169) 5.266 25.262 ( 4.550 3.740 16.143) 17.184 26.018 ( 2.803 0.843 -7.962) 8.483 26.120 ( -7.947 2.816 -6.287) 10.517 26.301 ( 1.341 -1.907 -4.561) 5.123 ======================= Grid point 174 (94/128) ======================= q-point: (-0.14 -0.57 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -14.708 -0.247 -0.993) 14.744 2.591 ( -1.075 -6.745 5.626) 8.849 2.688 ( -13.618 -3.926 9.801) 17.232 2.943 ( 1.186 11.758 -1.948) 11.977 3.160 ( -2.211 0.584 9.862) 10.124 3.405 ( 3.859 -0.763 -2.951) 4.917 3.596 ( -0.239 8.865 0.865) 8.910 3.972 ( 2.282 1.300 8.908) 9.288 4.423 ( -8.613 0.949 14.986) 17.311 4.625 ( 4.655 6.010 5.132) 9.172 4.755 ( -2.393 3.977 10.864) 11.814 4.881 ( -8.682 0.955 14.306) 16.762 4.955 ( -0.350 12.412 -10.001) 15.943 5.128 ( -4.108 1.007 3.452) 5.460 5.387 ( -2.140 -2.924 6.029) 7.034 5.592 ( 2.314 -5.273 7.228) 9.241 5.864 ( -2.723 0.955 1.803) 3.402 6.034 ( -6.147 -1.821 0.321) 6.419 6.121 ( -3.775 3.149 8.224) 9.581 6.298 ( 3.665 -1.607 -1.507) 4.276 6.556 ( -0.684 10.954 5.295) 12.185 6.574 ( 9.246 -7.010 -8.055) 14.125 6.723 ( 1.012 -2.426 1.032) 2.824 7.070 ( -1.361 -4.773 -12.753) 13.685 7.409 ( 4.288 23.415 -7.755) 25.036 7.457 ( -9.090 3.347 -3.782) 10.399 7.805 ( 8.120 -1.456 -4.203) 9.258 8.053 ( -3.670 4.149 0.050) 5.539 8.404 ( 9.353 3.536 -2.585) 10.327 8.682 ( -2.141 -8.934 7.595) 11.920 8.835 ( -1.521 0.383 -11.052) 11.163 9.138 ( -8.308 4.155 -4.086) 10.148 9.415 ( -1.437 -5.898 -0.008) 6.071 9.937 ( -0.271 -3.855 -8.053) 8.933 10.452 ( 5.038 -4.378 -0.841) 6.727 10.976 ( -1.715 -0.818 7.731) 7.961 11.345 ( 4.350 0.913 -4.011) 5.987 11.741 ( 8.793 -2.271 4.090) 9.960 12.102 ( -0.776 5.804 -4.906) 7.639 12.371 ( 2.076 3.592 -4.534) 6.145 12.802 ( -6.669 -7.752 12.543) 16.184 13.126 ( -6.930 -0.626 9.498) 11.774 13.544 ( -2.264 -7.537 -0.102) 7.870 14.012 ( 9.079 -2.660 1.819) 9.634 14.593 ( 2.496 -7.885 -8.914) 12.160 14.803 ( 7.597 -1.474 2.296) 8.072 15.110 ( -5.599 7.541 9.202) 13.149 15.479 ( -3.133 4.478 -7.968) 9.662 21.123 ( -0.102 0.516 -1.797) 1.872 21.265 ( 1.784 0.882 -6.315) 6.622 21.767 ( -1.968 -1.475 7.025) 7.443 22.306 ( 3.291 1.458 -7.545) 8.360 22.680 ( -1.425 -0.841 3.501) 3.872 22.966 ( 0.753 -1.591 -4.274) 4.622 23.727 ( -5.774 7.393 15.562) 18.171 24.541 ( -1.211 -1.694 0.299) 2.104 25.382 ( 9.379 0.012 6.413) 11.362 25.854 ( -14.939 5.855 -2.287) 16.208 26.021 ( 3.906 0.810 -9.379) 10.192 26.346 ( 3.201 -0.354 -1.784) 3.682 ======================= Grid point 179 (95/128) ======================= q-point: (-0.43 -0.43 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -4.333 0.000 8.923) 9.920 2.653 ( -9.662 0.000 -3.621) 10.319 2.914 ( -20.380 0.000 16.673) 26.331 2.961 ( -13.195 0.000 8.619) 15.760 3.367 ( -9.085 0.000 0.171) 9.087 3.367 ( 5.552 -0.000 2.021) 5.909 3.967 ( -1.519 0.000 2.771) 3.160 4.260 ( -3.703 0.000 5.769) 6.855 4.580 ( 10.970 -0.000 -5.645) 12.337 4.608 ( -8.870 0.000 14.504) 17.001 4.729 ( -6.239 0.000 5.657) 8.422 4.799 ( -4.847 0.000 36.243) 36.566 5.154 ( -2.446 0.000 -10.028) 10.322 5.251 ( -3.679 0.000 10.094) 10.743 5.494 ( 7.699 -0.000 8.087) 11.166 5.507 ( -1.988 0.000 -9.729) 9.930 5.651 ( 4.107 -0.000 -11.633) 12.337 5.869 ( -4.043 0.000 3.585) 5.404 5.900 ( 5.404 -0.000 -6.961) 8.812 6.499 ( -4.986 0.000 7.766) 9.229 6.573 ( 0.898 -0.000 -3.798) 3.902 6.610 ( 5.656 -0.000 -5.358) 7.791 6.759 ( -5.259 0.000 -10.936) 12.134 7.291 ( 1.872 -0.000 -3.037) 3.568 7.736 ( 13.772 -0.000 -0.997) 13.808 7.816 ( -4.740 0.000 11.870) 12.781 7.875 ( -7.674 0.000 -17.194) 18.829 8.247 ( -4.383 0.000 -6.254) 7.637 8.615 ( 3.385 -0.000 8.508) 9.157 8.648 ( 4.012 -0.000 1.438) 4.262 8.692 ( -18.562 0.000 1.828) 18.652 9.283 ( 2.924 -0.000 -0.797) 3.030 9.419 ( -11.555 0.000 -2.875) 11.908 9.753 ( 4.159 -0.000 -8.311) 9.293 10.525 ( -0.977 0.000 -3.446) 3.582 10.801 ( 22.954 -0.000 7.197) 24.056 11.393 ( 0.140 -0.000 0.813) 0.825 11.424 ( -3.802 0.000 -2.112) 4.349 12.172 ( 9.401 -0.000 -2.015) 9.614 12.188 ( 4.117 -0.000 10.343) 11.133 12.628 ( 9.674 -0.000 8.358) 12.784 13.094 ( -13.722 0.000 -11.837) 18.122 13.276 ( -1.071 0.000 21.017) 21.045 14.042 ( -2.342 0.000 -4.017) 4.650 14.387 ( -5.149 0.000 -12.609) 13.620 14.560 ( 13.769 -0.000 -5.751) 14.922 15.348 ( -4.296 0.000 10.878) 11.696 15.702 ( -1.796 0.000 -3.598) 4.021 21.152 ( -0.003 0.000 -0.213) 0.213 21.367 ( 0.678 -0.000 -9.034) 9.060 21.725 ( -2.696 0.000 7.421) 7.896 22.314 ( 3.911 -0.000 -8.253) 9.133 22.763 ( -3.228 0.000 1.872) 3.732 22.808 ( 0.853 -0.000 1.202) 1.474 24.221 ( 0.385 -0.000 5.800) 5.813 24.301 ( -3.378 0.000 5.804) 6.715 25.354 ( 2.807 -0.000 17.722) 17.943 26.022 ( 0.534 -0.000 -5.851) 5.875 26.197 ( 1.221 -0.000 -3.258) 3.479 26.212 ( -7.189 0.000 -11.734) 13.761 ======================= Grid point 180 (96/128) ======================= q-point: (-0.29 -0.43 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -8.482 -7.224 10.454) 15.278 2.446 ( -22.334 -4.063 6.952) 23.741 2.645 ( -9.646 7.862 9.829) 15.857 2.960 ( -9.405 -8.568 3.062) 13.086 3.231 ( -7.957 1.091 5.714) 9.857 3.439 ( 3.658 0.884 4.231) 5.662 3.886 ( -6.496 5.977 -2.236) 9.106 4.101 ( -2.087 8.884 9.877) 13.447 4.472 ( -10.056 5.257 14.472) 18.391 4.735 ( 9.987 1.745 -8.545) 13.260 4.816 ( -4.448 -13.689 10.232) 17.660 4.869 ( -8.176 1.190 30.774) 31.864 5.015 ( -9.455 -0.747 -3.101) 9.979 5.209 ( -4.427 0.349 4.989) 6.679 5.413 ( -1.507 4.733 -6.300) 8.023 5.505 ( 1.104 4.769 7.775) 9.188 5.803 ( 4.548 -5.864 -6.638) 9.957 5.875 ( -0.742 -3.411 3.011) 4.610 6.008 ( 5.352 -8.882 -7.960) 13.073 6.328 ( -3.489 9.278 -6.918) 12.088 6.569 ( 2.403 4.826 1.778) 5.676 6.607 ( -2.332 -1.715 0.923) 3.038 6.741 ( -4.252 -7.584 -13.505) 16.062 7.248 ( 0.956 7.703 -2.113) 8.044 7.533 ( -19.043 5.525 -8.087) 21.414 7.804 ( -0.526 -1.905 2.852) 3.470 7.823 ( 5.918 3.960 -4.781) 8.577 8.250 ( 0.002 -0.998 -1.859) 2.110 8.428 ( -10.195 6.531 1.458) 12.195 8.653 ( 8.013 5.601 7.043) 12.050 8.752 ( -1.682 -5.357 -1.785) 5.892 9.257 ( -8.853 1.042 -1.196) 8.994 9.331 ( 3.090 -0.206 1.785) 3.574 9.801 ( 3.888 -3.142 -9.970) 11.153 10.462 ( 0.991 3.682 -3.742) 5.342 11.087 ( 14.651 6.991 5.145) 17.029 11.370 ( 0.846 0.245 -3.161) 3.281 11.498 ( 3.481 -11.163 4.242) 12.439 12.248 ( 4.587 3.175 -2.130) 5.971 12.352 ( 9.835 -3.544 0.967) 10.499 12.746 ( -3.066 4.788 3.161) 6.505 12.979 ( 2.240 -8.157 2.942) 8.956 13.368 ( -1.036 -1.715 17.292) 17.407 14.027 ( 3.963 1.106 -3.483) 5.391 14.305 ( -4.711 -6.891 -11.656) 14.337 14.758 ( 14.165 -1.368 -2.198) 14.400 15.290 ( -6.678 3.178 10.093) 12.512 15.617 ( -4.424 3.101 -4.798) 7.225 21.147 ( -0.059 0.599 -0.398) 0.722 21.306 ( -1.466 1.249 -9.141) 9.341 21.727 ( -2.339 -0.785 7.111) 7.526 22.325 ( 2.946 0.061 -8.285) 8.794 22.704 ( -2.135 2.163 3.085) 4.331 22.867 ( 0.398 -3.921 -0.312) 3.954 24.072 ( -3.911 12.604 9.858) 16.472 24.410 ( -0.403 -7.413 1.667) 7.609 25.450 ( 4.745 3.196 14.283) 15.386 25.991 ( -11.991 2.987 -8.103) 14.777 26.015 ( 0.835 -0.790 -7.303) 7.393 26.232 ( -0.332 -4.951 -3.470) 6.054 ======================= Grid point 181 (97/128) ======================= q-point: (-0.14 -0.43 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -20.236 -0.349 8.490) 21.948 2.327 ( -19.162 -11.911 15.427) 27.333 2.530 ( -0.559 -2.998 5.458) 6.252 3.024 ( 0.783 -3.641 -6.401) 7.405 3.163 ( -5.277 -0.510 13.251) 14.273 3.488 ( 4.131 1.118 2.358) 4.886 3.679 ( -4.731 5.730 -0.278) 7.435 4.062 ( -1.371 0.468 8.352) 8.477 4.336 ( -9.074 3.066 20.978) 23.061 4.646 ( -7.523 2.227 -12.223) 14.524 4.844 ( -8.011 3.427 27.557) 28.901 4.935 ( -1.884 3.510 12.231) 12.863 5.007 ( -0.921 -5.452 1.504) 5.730 5.156 ( -5.986 4.624 -0.081) 7.564 5.276 ( 0.257 -0.081 -3.346) 3.357 5.528 ( 0.066 -3.565 1.692) 3.947 5.797 ( -8.185 -1.795 6.360) 10.520 5.906 ( -3.879 -3.624 -2.828) 6.015 6.231 ( 3.759 -12.575 -7.449) 15.092 6.275 ( 8.566 3.021 -0.012) 9.083 6.474 ( -3.196 3.269 -3.365) 5.676 6.592 ( -5.160 -1.715 -0.712) 5.484 6.733 ( 1.596 -2.596 -10.615) 11.044 7.038 ( -7.219 8.630 4.903) 12.273 7.279 ( -7.958 -0.396 -12.674) 14.971 7.742 ( 3.810 13.086 -5.272) 14.614 7.873 ( 1.135 -1.462 -0.202) 1.862 8.171 ( 4.130 8.933 -1.282) 9.925 8.295 ( -9.801 -7.865 5.010) 13.528 8.733 ( 3.887 0.946 3.562) 5.357 8.760 ( -0.312 -1.580 -7.524) 7.694 9.141 ( 1.465 6.214 0.600) 6.413 9.386 ( 2.070 -1.364 0.870) 2.627 9.825 ( 0.951 -1.012 -11.150) 11.236 10.471 ( 4.288 -2.286 -2.047) 5.273 11.093 ( 3.982 7.989 4.015) 9.788 11.350 ( -2.470 -1.252 -2.021) 3.428 11.830 ( 13.713 -7.714 4.093) 16.257 12.168 ( -2.052 7.895 -7.285) 10.936 12.423 ( -0.274 2.941 -4.621) 5.484 12.731 ( 3.216 -5.041 8.812) 10.649 13.127 ( -0.364 3.381 13.559) 13.979 13.457 ( 2.417 -3.947 3.466) 5.782 14.113 ( 9.096 -1.704 1.657) 9.401 14.398 ( 0.521 -13.270 -8.028) 15.518 14.949 ( 11.540 0.406 0.984) 11.589 15.157 ( -8.241 5.617 8.646) 13.199 15.448 ( -6.104 4.426 -7.923) 10.937 21.124 ( -0.617 1.058 -1.895) 2.256 21.231 ( -2.751 -0.431 -6.787) 7.336 21.747 ( -1.787 -1.468 6.909) 7.285 22.320 ( 1.462 0.163 -7.997) 8.131 22.671 ( -1.593 0.629 3.460) 3.860 22.925 ( 0.854 -3.009 -1.975) 3.699 23.858 ( -5.951 11.254 14.123) 19.014 24.504 ( 1.297 -3.605 0.183) 3.836 25.503 ( 1.263 1.744 -0.766) 2.285 25.730 ( -11.004 3.899 3.411) 12.163 26.030 ( 3.015 -1.086 -8.059) 8.672 26.314 ( 0.650 -6.125 -2.476) 6.638 ======================= Grid point 187 (98/128) ======================= q-point: (-0.29 -0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -13.293 0.000 13.649) 19.053 2.118 ( -24.783 0.000 19.033) 31.249 2.683 ( -8.806 0.000 8.049) 11.930 2.802 ( -1.635 0.000 12.042) 12.152 3.064 ( -14.525 0.000 4.109) 15.094 3.485 ( -0.648 0.000 5.695) 5.732 3.790 ( -8.728 0.000 -5.602) 10.371 4.232 ( -1.864 0.000 8.641) 8.840 4.477 ( -9.263 0.000 5.060) 10.555 4.579 ( -4.752 0.000 18.579) 19.178 4.717 ( -9.617 0.000 -16.532) 19.126 4.916 ( -11.377 0.000 35.647) 37.418 4.984 ( 7.606 -0.000 4.003) 8.596 5.163 ( -3.441 0.000 1.601) 3.795 5.366 ( -3.368 0.000 -1.331) 3.622 5.573 ( -9.265 0.000 12.469) 15.534 5.785 ( 4.268 -0.000 -17.027) 17.554 5.846 ( -3.139 0.000 1.656) 3.549 5.972 ( 8.853 -0.000 -12.121) 15.010 6.331 ( -5.761 0.000 -9.609) 11.204 6.500 ( -5.663 0.000 -7.377) 9.300 6.583 ( 2.307 -0.000 -6.630) 7.020 6.641 ( -2.166 0.000 4.951) 5.404 7.271 ( 1.178 -0.000 -16.926) 16.966 7.337 ( -12.582 0.000 -4.412) 13.333 7.667 ( -13.889 0.000 14.822) 20.312 7.880 ( 2.106 -0.000 -3.300) 3.915 8.236 ( 0.282 -0.000 -2.285) 2.302 8.499 ( 0.663 -0.000 3.631) 3.691 8.677 ( 1.093 -0.000 -7.992) 8.066 8.747 ( -0.111 0.000 5.810) 5.811 9.230 ( 1.889 -0.000 4.933) 5.282 9.357 ( -0.588 0.000 1.013) 1.171 9.842 ( 10.100 -0.000 -9.032) 13.550 10.462 ( -0.732 0.000 -4.923) 4.978 11.317 ( -6.539 0.000 0.771) 6.585 11.333 ( 0.477 -0.000 -3.972) 4.000 11.561 ( 23.631 -0.000 9.267) 25.383 12.323 ( 1.866 -0.000 0.296) 1.889 12.461 ( 3.404 -0.000 -6.167) 7.044 12.616 ( -3.052 0.000 -8.446) 8.981 13.199 ( 21.875 -0.000 14.297) 26.133 13.437 ( -0.397 0.000 18.851) 18.855 14.099 ( -4.360 0.000 -8.087) 9.188 14.104 ( 5.130 -0.000 -4.920) 7.108 14.941 ( 13.811 -0.000 -1.843) 13.934 15.247 ( -8.817 0.000 9.078) 12.655 15.548 ( -6.260 0.000 -5.151) 8.106 21.154 ( 0.311 -0.000 -0.317) 0.444 21.221 ( -5.616 0.000 -9.289) 10.855 21.721 ( -2.001 0.000 6.983) 7.264 22.316 ( 0.852 -0.000 -8.128) 8.173 22.708 ( -1.630 0.000 2.513) 2.996 22.845 ( 0.726 -0.000 1.492) 1.659 24.225 ( -3.652 0.000 5.736) 6.800 24.298 ( 0.888 -0.000 3.945) 4.044 25.577 ( -1.325 0.000 6.018) 6.162 25.801 ( -11.021 0.000 -0.831) 11.053 25.990 ( 1.319 -0.000 -7.090) 7.212 26.149 ( -2.144 0.000 -3.720) 4.294 ======================= Grid point 188 (99/128) ======================= q-point: (-0.14 -0.29 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -21.177 1.999 17.615) 27.617 1.984 ( -17.321 -9.719 24.591) 31.610 2.554 ( -0.971 3.118 9.187) 9.750 2.941 ( 4.007 -5.853 -4.370) 8.332 3.002 ( -13.323 -11.191 18.313) 25.261 3.494 ( -3.051 -1.783 4.568) 5.775 3.628 ( -8.382 1.199 -5.655) 10.182 4.115 ( -1.529 8.123 8.134) 11.597 4.419 ( -5.006 3.299 13.462) 14.737 4.484 ( -11.073 -0.488 -10.165) 15.040 4.675 ( -12.051 -11.462 11.989) 20.502 4.884 ( -9.170 -0.172 26.922) 28.441 5.105 ( -6.661 3.218 4.664) 8.745 5.141 ( 6.844 -0.451 4.679) 8.303 5.239 ( -7.037 2.819 -5.385) 9.299 5.510 ( -2.927 -2.531 -1.117) 4.028 5.672 ( -7.278 3.151 -0.389) 7.941 5.814 ( -2.093 -2.168 -3.616) 4.707 6.077 ( 2.629 -4.642 -9.927) 11.270 6.267 ( -1.307 -6.976 -4.618) 8.467 6.453 ( -3.525 -3.394 -7.597) 9.037 6.569 ( 1.635 4.601 1.146) 5.016 6.643 ( 0.849 -3.458 -4.104) 5.434 7.077 ( -7.306 10.349 1.786) 12.793 7.216 ( 1.358 2.194 -12.789) 13.046 7.665 ( -11.260 -12.925 7.093) 18.551 7.895 ( 3.900 1.805 -2.687) 5.068 8.194 ( -3.409 1.843 1.153) 4.043 8.367 ( 0.225 11.528 -4.085) 12.232 8.693 ( 1.359 -3.066 -9.954) 10.504 8.812 ( 5.281 3.155 6.508) 8.956 9.279 ( 2.571 2.257 3.784) 5.101 9.374 ( 1.029 -3.401 -0.148) 3.557 9.918 ( 11.214 5.775 -7.522) 14.686 10.475 ( 3.271 -2.339 -0.786) 4.097 11.219 ( -10.684 -2.800 1.785) 11.188 11.282 ( 3.816 6.538 -2.152) 7.870 11.958 ( 17.728 -5.465 3.715) 18.920 12.205 ( -6.431 8.028 -9.547) 14.034 12.386 ( -3.042 -2.475 -4.568) 6.020 12.766 ( 11.046 -4.438 -0.581) 11.918 13.406 ( 5.303 14.552 19.982) 25.282 13.508 ( 8.192 0.475 2.482) 8.572 14.144 ( 1.801 -14.918 -6.145) 16.234 14.233 ( 9.273 -2.195 3.070) 10.011 15.107 ( 8.267 -0.036 -0.486) 8.281 15.132 ( -7.458 2.269 6.317) 10.034 15.378 ( -9.458 4.382 -7.897) 13.077 21.084 ( -6.797 0.305 -4.806) 8.330 21.163 ( -0.290 -0.588 -1.592) 1.722 21.734 ( -1.524 -0.942 6.956) 7.183 22.285 ( -0.901 -0.550 -7.145) 7.222 22.691 ( -0.080 1.723 2.765) 3.259 22.885 ( 0.644 -2.847 0.349) 2.939 24.029 ( -5.600 13.529 10.242) 17.869 24.456 ( 4.391 -7.446 -0.850) 8.686 25.382 ( -17.219 1.570 -4.908) 17.973 25.776 ( 2.667 2.985 8.276) 9.193 26.006 ( 2.308 -2.315 -6.652) 7.412 26.169 ( -1.914 -8.098 -3.491) 9.024 ======================= Grid point 195 (100/128) ======================= q-point: (-0.14 -0.14 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -14.223 0.000 22.051) 26.240 1.760 ( -16.196 0.000 31.262) 35.208 2.617 ( -2.873 0.000 7.828) 8.339 2.820 ( -3.890 0.000 28.622) 28.885 2.950 ( 5.898 -0.000 -6.040) 8.442 3.449 ( -3.991 0.000 4.129) 5.743 3.464 ( -10.928 0.000 -8.436) 13.806 4.172 ( -17.292 0.000 -8.713) 19.363 4.274 ( -1.258 0.000 8.175) 8.272 4.385 ( -0.768 0.000 -1.272) 1.486 4.498 ( -15.027 0.000 25.467) 29.570 4.891 ( -2.752 0.000 17.822) 18.033 5.010 ( -15.871 0.000 14.518) 21.509 5.085 ( -12.379 0.000 -14.931) 19.396 5.198 ( 1.019 -0.000 1.516) 1.826 5.425 ( -0.523 0.000 -7.515) 7.533 5.676 ( -6.966 0.000 10.794) 12.846 5.790 ( 8.385 -0.000 -0.328) 8.391 6.069 ( 5.359 -0.000 -13.652) 14.666 6.109 ( -7.611 0.000 0.909) 7.665 6.356 ( -0.049 0.000 -8.468) 8.468 6.590 ( -5.719 0.000 7.080) 9.101 6.662 ( 8.843 -0.000 -9.398) 12.904 7.181 ( 2.304 -0.000 -0.923) 2.482 7.201 ( 3.316 -0.000 -13.917) 14.307 7.364 ( -15.547 0.000 12.104) 19.703 7.942 ( 2.316 -0.000 -2.251) 3.230 8.165 ( -4.324 0.000 3.423) 5.515 8.449 ( 1.842 -0.000 -5.882) 6.164 8.645 ( 4.358 -0.000 -17.174) 17.719 8.993 ( 4.702 -0.000 10.716) 11.702 9.260 ( -3.131 0.000 -5.142) 6.021 9.412 ( 7.240 -0.000 4.444) 8.495 10.123 ( 12.251 -0.000 -5.302) 13.349 10.537 ( 8.755 -0.000 4.122) 9.677 11.015 ( -15.900 0.000 3.994) 16.394 11.367 ( 3.665 -0.000 -4.352) 5.690 12.109 ( -2.803 0.000 -12.941) 13.241 12.179 ( 8.499 -0.000 0.980) 8.555 12.273 ( -4.141 0.000 -5.277) 6.708 12.898 ( 11.774 -0.000 -0.242) 11.777 13.533 ( -2.569 0.000 9.891) 10.219 13.928 ( 2.598 -0.000 -7.215) 7.668 13.931 ( 19.621 -0.000 9.659) 21.870 14.364 ( 8.538 -0.000 6.269) 10.593 15.039 ( -10.018 0.000 5.701) 11.527 15.153 ( -9.145 0.000 -10.002) 13.553 15.262 ( -0.794 0.000 -3.859) 3.940 20.968 ( -5.848 0.000 0.239) 5.853 21.162 ( 0.655 -0.000 -1.334) 1.486 21.739 ( -1.031 0.000 7.093) 7.167 22.231 ( -1.627 0.000 -5.649) 5.878 22.735 ( 2.089 -0.000 1.972) 2.873 22.864 ( -0.356 0.000 1.242) 1.292 24.129 ( -6.291 0.000 5.403) 8.293 24.446 ( 9.153 -0.000 -3.537) 9.812 25.120 ( -19.168 0.000 3.576) 19.498 25.881 ( 0.925 -0.000 7.350) 7.408 25.972 ( 1.725 -0.000 -7.543) 7.738 26.046 ( -1.642 0.000 -4.702) 4.981 ======================= Grid point 196 (101/128) ======================= q-point: ( 0.00 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 1.473 -0.000 18.069) 18.129 2.322 ( 4.326 -0.000 9.414) 10.361 2.704 ( -3.690 0.000 2.814) 4.640 2.808 ( 3.227 -0.000 -10.772) 11.245 3.085 ( 0.817 -0.000 3.143) 3.247 3.246 ( -1.611 0.000 -11.176) 11.292 3.462 ( 11.936 -0.000 2.348) 12.164 3.472 ( -15.165 0.000 -0.181) 15.166 4.347 ( -0.897 0.000 1.215) 1.510 4.358 ( -2.671 0.000 -1.689) 3.161 4.590 ( 5.945 -0.000 0.603) 5.975 4.639 ( -7.376 0.000 -2.026) 7.649 4.906 ( 1.307 -0.000 13.586) 13.649 5.072 ( -4.305 0.000 -5.148) 6.711 5.274 ( 1.281 -0.000 11.245) 11.317 5.657 ( 1.317 -0.000 -20.300) 20.343 5.794 ( -7.152 0.000 23.248) 24.324 5.975 ( -8.569 0.000 15.204) 17.453 6.053 ( 2.884 -0.000 -3.986) 4.920 6.217 ( 11.938 -0.000 -9.430) 15.213 6.217 ( -1.255 0.000 11.393) 11.462 6.523 ( 7.073 -0.000 -15.997) 17.491 6.600 ( -10.450 0.000 15.185) 18.433 6.976 ( 7.533 -0.000 -16.475) 18.115 7.287 ( -12.913 0.000 9.473) 16.015 7.397 ( 11.777 -0.000 -1.186) 11.837 7.907 ( -4.302 0.000 4.423) 6.170 8.154 ( 4.956 -0.000 -18.445) 19.099 8.217 ( -2.756 0.000 5.107) 5.804 8.353 ( 3.421 -0.000 -7.449) 8.197 9.061 ( -5.291 0.000 2.035) 5.669 9.106 ( 5.092 -0.000 -2.843) 5.831 9.922 ( 8.458 -0.000 9.380) 12.630 10.106 ( -6.372 0.000 -7.439) 9.795 10.770 ( -11.292 0.000 6.403) 12.981 10.938 ( 16.516 -0.000 -8.214) 18.446 11.532 ( 1.618 -0.000 9.536) 9.672 11.684 ( -3.447 0.000 -5.432) 6.434 11.962 ( -4.198 0.000 0.190) 4.203 12.064 ( -2.345 0.000 -8.496) 8.814 13.347 ( 10.917 -0.000 5.945) 12.431 13.470 ( -9.112 0.000 -4.280) 10.067 13.966 ( -28.016 0.000 4.786) 28.422 14.091 ( 20.467 -0.000 -5.341) 21.153 14.721 ( 5.439 -0.000 2.300) 5.905 14.734 ( -3.065 0.000 1.908) 3.611 14.959 ( -1.393 0.000 8.710) 8.820 15.161 ( 0.727 -0.000 -9.573) 9.601 21.073 ( 3.522 -0.000 1.555) 3.850 21.112 ( -0.811 0.000 -2.152) 2.300 21.932 ( -0.831 0.000 6.984) 7.034 22.068 ( 1.120 -0.000 -5.935) 6.039 22.849 ( -2.597 0.000 0.365) 2.622 22.852 ( 3.233 -0.000 0.174) 3.237 24.127 ( -6.469 0.000 7.637) 10.009 24.314 ( 5.543 -0.000 -10.001) 11.435 25.336 ( 0.022 -0.000 16.813) 16.813 25.671 ( 1.764 -0.000 -14.687) 14.792 25.907 ( -6.587 0.000 3.923) 7.667 25.977 ( 3.857 -0.000 -2.790) 4.760 ======================= Grid point 197 (102/128) ======================= q-point: ( 0.14 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 0.713 -0.227 5.343) 5.395 2.357 ( 4.898 4.043 -3.777) 7.389 2.773 ( 1.657 -8.152 8.866) 12.158 3.003 ( 8.131 -9.257 0.782) 12.346 3.069 ( 1.037 1.998 0.448) 2.295 3.246 ( 5.643 -5.815 -12.175) 14.625 3.323 ( -5.826 1.497 3.768) 7.098 3.657 ( 16.680 3.107 3.196) 17.265 4.306 ( -0.235 1.808 2.335) 2.962 4.381 ( 2.504 -0.329 -1.544) 2.959 4.634 ( -4.401 -9.498 -0.053) 10.469 4.790 ( 6.550 -8.895 2.999) 11.446 5.024 ( -0.946 -4.574 8.342) 9.561 5.065 ( 0.634 -7.182 -0.111) 7.211 5.314 ( -7.974 -3.670 16.907) 19.050 5.613 ( 1.023 -6.101 -18.242) 19.262 5.822 ( -2.925 -3.073 14.125) 14.748 5.880 ( -5.552 4.880 7.341) 10.418 6.086 ( -0.853 -2.313 -3.568) 4.336 6.272 ( 1.244 -1.490 7.974) 8.207 6.335 ( 10.478 1.393 -9.848) 14.447 6.465 ( -1.623 3.990 6.867) 8.106 6.629 ( 1.237 -4.632 -2.957) 5.632 7.009 ( 7.203 0.034 -17.066) 18.523 7.162 ( -8.929 0.775 8.704) 12.493 7.516 ( 7.992 5.356 -1.305) 9.709 7.869 ( -2.485 -1.209 3.594) 4.534 8.086 ( 1.857 5.236 -9.425) 10.940 8.208 ( -0.707 0.010 4.669) 4.722 8.392 ( 2.920 -3.866 -11.067) 12.081 9.007 ( -0.989 2.780 3.157) 4.321 9.192 ( 6.661 0.972 -3.181) 7.445 9.886 ( -11.236 3.801 -7.323) 13.940 9.972 ( 2.634 7.410 6.530) 10.222 10.657 ( -7.962 1.759 0.221) 8.157 11.131 ( 16.434 0.331 -8.820) 18.654 11.546 ( -7.171 4.439 0.188) 8.436 11.611 ( -0.155 -2.264 5.801) 6.229 11.935 ( -4.535 -2.227 6.368) 8.129 12.055 ( 1.214 -4.328 -3.539) 5.721 13.274 ( -14.268 0.192 -5.296) 15.221 13.496 ( 5.325 0.599 4.947) 7.293 13.604 ( -22.898 1.416 10.124) 25.076 14.298 ( 17.006 5.414 -2.587) 18.033 14.656 ( -2.643 3.582 1.169) 4.602 14.824 ( 5.720 -1.175 -1.174) 5.957 15.014 ( -1.632 -2.965 9.480) 10.066 15.152 ( 1.739 -2.309 -9.422) 9.856 21.091 ( -0.223 0.215 -2.579) 2.597 21.131 ( 3.599 -0.375 -1.200) 3.812 21.948 ( -1.319 0.107 6.820) 6.947 22.069 ( 2.085 -0.912 -6.661) 7.039 22.809 ( -2.234 0.481 0.590) 2.360 22.889 ( 2.242 0.328 -1.207) 2.567 24.047 ( -5.230 3.676 10.771) 12.526 24.365 ( 5.902 -1.112 -10.197) 11.834 25.434 ( 3.253 -0.138 13.586) 13.971 25.660 ( 4.413 -1.440 -15.338) 16.025 25.853 ( -7.877 -2.847 5.875) 10.231 26.062 ( 3.926 -5.198 -1.529) 6.691 ======================= Grid point 198 (103/128) ======================= q-point: ( 0.29 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.108 6.763 -9.945) 12.027 2.523 ( 6.659 -9.190 3.617) 11.911 2.939 ( -2.293 -0.216 5.020) 5.523 2.959 ( 0.818 0.015 3.055) 3.163 3.197 ( 4.415 1.624 -2.040) 5.128 3.299 ( -0.587 -2.328 9.141) 9.451 3.565 ( 10.274 -17.987 -12.057) 23.968 3.850 ( 17.365 6.137 10.677) 21.289 4.311 ( 1.805 0.153 1.273) 2.214 4.398 ( 3.987 2.085 -4.820) 6.593 4.756 ( 0.041 -8.663 1.723) 8.833 4.988 ( 2.613 -4.711 5.517) 7.711 5.127 ( -0.780 -3.162 1.528) 3.598 5.136 ( -5.038 -3.014 16.673) 17.676 5.356 ( -5.610 -11.988 -0.545) 13.247 5.728 ( -7.679 1.035 1.374) 7.870 5.811 ( 1.989 -7.029 3.254) 7.997 5.935 ( -0.395 -13.245 1.018) 13.289 6.074 ( -0.785 -3.069 -4.455) 5.466 6.293 ( -1.310 0.260 0.614) 1.470 6.439 ( 6.631 -2.804 4.878) 8.696 6.471 ( 2.030 1.838 2.917) 4.001 6.706 ( 4.286 -3.369 -10.055) 11.438 7.002 ( 2.969 1.685 -12.055) 12.529 7.097 ( 0.893 4.596 3.322) 5.741 7.396 ( -3.333 11.035 1.152) 11.584 7.903 ( 5.545 6.680 -3.276) 9.279 8.063 ( 0.653 -6.710 7.508) 10.091 8.239 ( 2.560 -0.891 0.589) 2.774 8.460 ( 3.911 -4.931 -12.072) 13.614 8.962 ( -0.829 3.727 2.864) 4.773 9.130 ( -1.572 8.277 -3.607) 9.164 9.725 ( -3.460 3.720 -1.749) 5.373 9.854 ( -2.710 6.639 -2.782) 7.692 10.503 ( -5.482 2.624 -2.564) 6.596 11.277 ( 11.385 1.909 -6.023) 13.021 11.317 ( -9.975 7.658 2.951) 12.917 11.698 ( 2.063 -2.927 2.505) 4.370 11.969 ( -5.371 -6.059 9.018) 12.120 12.178 ( 5.151 -5.369 0.351) 7.449 13.076 ( -13.947 -3.804 -1.985) 14.592 13.331 ( -12.962 4.446 12.344) 18.443 13.566 ( 1.244 1.110 0.149) 1.674 14.371 ( 10.848 8.043 -3.269) 13.894 14.590 ( -0.677 1.803 0.989) 2.165 14.899 ( 4.845 0.368 -1.413) 5.061 15.061 ( -5.848 -4.956 7.626) 10.813 15.188 ( 4.262 -0.793 -7.346) 8.530 21.078 ( 0.388 0.032 -2.342) 2.375 21.168 ( 2.278 0.091 -2.677) 3.516 21.949 ( -1.872 0.525 6.820) 7.092 22.094 ( 2.629 -1.688 -7.264) 7.908 22.779 ( -1.725 0.334 1.041) 2.042 22.897 ( 1.643 0.854 -2.385) 3.019 23.989 ( -4.210 1.837 14.440) 15.153 24.407 ( 5.833 0.363 -11.719) 13.096 25.523 ( 1.139 0.075 10.237) 10.301 25.687 ( 3.850 -1.846 -13.125) 13.802 25.831 ( -4.726 -2.848 5.622) 7.877 26.216 ( 4.128 -6.795 -0.643) 7.976 ======================= Grid point 199 (104/128) ======================= q-point: (-0.57 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -0.172 5.450 -5.040) 7.426 2.758 ( 0.030 -9.224 2.724) 9.617 2.870 ( -0.453 5.098 3.600) 6.257 2.965 ( -1.006 3.558 6.869) 7.801 3.224 ( 4.229 -0.906 -5.689) 7.146 3.420 ( 2.126 -4.240 8.534) 9.763 3.722 ( 1.493 2.918 1.659) 3.674 4.052 ( 8.101 -3.188 -2.611) 9.089 4.343 ( -1.409 -2.141 -5.037) 5.652 4.416 ( 5.438 -1.158 -1.711) 5.818 4.907 ( 3.015 -2.204 4.809) 6.088 5.031 ( -4.127 -1.303 2.614) 5.056 5.089 ( -0.960 2.371 4.445) 5.128 5.218 ( -3.542 -5.417 17.187) 18.365 5.497 ( -1.762 -0.961 3.401) 3.949 5.643 ( -4.810 -1.115 1.586) 5.186 5.867 ( 1.401 -9.565 -5.065) 10.914 6.033 ( -7.195 -4.953 4.311) 9.741 6.228 ( 1.329 -3.864 8.467) 9.402 6.315 ( 0.928 1.430 -1.721) 2.422 6.441 ( 0.886 -0.405 -5.600) 5.684 6.577 ( 2.548 -2.498 -0.562) 3.612 6.748 ( 4.029 0.556 -12.240) 12.898 6.980 ( -3.822 -2.656 -1.728) 4.964 7.011 ( 5.264 10.524 -0.400) 11.774 7.219 ( -0.082 3.642 -3.775) 5.246 7.842 ( -3.819 -0.280 3.322) 5.069 8.189 ( 4.661 3.478 6.311) 8.582 8.383 ( 5.012 -8.857 -4.258) 11.032 8.544 ( 5.172 -3.167 -5.378) 8.105 8.864 ( -6.595 1.658 -4.792) 8.319 9.026 ( 6.428 6.351 5.124) 10.388 9.517 ( -7.483 8.854 0.759) 11.618 9.729 ( -2.438 2.384 -9.249) 9.858 10.459 ( 1.259 -1.072 -1.862) 2.490 11.118 ( -6.454 3.171 4.637) 8.557 11.346 ( 5.145 1.610 -2.890) 6.117 11.763 ( 0.028 -2.982 -0.718) 3.067 12.032 ( -2.311 -4.822 4.325) 6.877 12.317 ( 4.023 -1.978 1.310) 4.670 13.002 ( -5.761 -3.667 1.737) 7.047 13.210 ( -4.982 0.588 9.566) 10.801 13.533 ( -0.777 2.084 -1.119) 2.490 14.346 ( 5.640 6.831 -2.888) 9.317 14.586 ( 2.112 1.432 -0.564) 2.613 14.930 ( 0.609 -0.336 0.195) 0.722 15.087 ( -6.826 -6.281 5.317) 10.692 15.212 ( 5.087 2.595 -6.001) 8.284 21.078 ( 0.516 0.064 -1.399) 1.492 21.167 ( 0.283 0.624 -2.365) 2.463 21.942 ( -1.974 0.887 7.189) 7.508 22.121 ( 2.193 -1.459 -7.769) 8.203 22.756 ( -1.642 0.535 2.360) 2.924 22.896 ( 1.611 0.508 -3.216) 3.633 23.997 ( -3.705 -1.235 15.689) 16.168 24.411 ( 4.782 1.635 -13.078) 14.020 25.532 ( -6.155 -0.015 9.710) 11.497 25.711 ( 2.644 -1.234 -6.533) 7.155 25.862 ( 2.320 -1.466 -0.916) 2.893 26.343 ( 2.397 -2.903 -0.666) 3.823 ======================= Grid point 200 (105/128) ======================= q-point: (-0.43 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -1.920 2.774 3.073) 4.563 2.701 ( -6.968 9.576 10.968) 16.141 2.834 ( 0.179 1.757 3.863) 4.247 2.971 ( -0.487 -0.014 3.757) 3.789 3.276 ( 1.079 -3.065 -5.437) 6.334 3.506 ( 0.897 -0.673 -0.521) 1.237 3.629 ( -2.435 9.770 5.549) 11.497 4.146 ( -0.052 -5.696 -7.718) 9.592 4.288 ( -2.769 2.081 -0.554) 3.508 4.524 ( -0.410 -6.966 -9.880) 12.096 4.889 ( -0.902 3.819 15.169) 15.668 4.960 ( -6.839 1.166 -0.609) 6.965 5.132 ( 0.438 2.314 1.388) 2.733 5.289 ( -2.556 -1.696 7.301) 7.920 5.516 ( 0.266 0.552 3.045) 3.106 5.556 ( -3.042 -0.952 17.237) 17.529 5.768 ( -8.631 14.585 -6.514) 18.156 6.193 ( -1.735 6.148 9.522) 11.467 6.216 ( 7.295 -5.448 -9.902) 13.451 6.320 ( 0.354 -7.276 3.239) 7.972 6.431 ( -4.252 1.926 6.967) 8.386 6.553 ( 2.701 9.310 -11.499) 15.040 6.605 ( 1.272 11.450 -1.090) 11.572 6.944 ( -7.154 -0.481 -2.419) 7.567 6.992 ( 1.043 -4.062 2.419) 4.841 7.336 ( 4.935 -15.011 -10.158) 18.785 7.846 ( -4.552 -5.135 2.722) 7.382 8.225 ( 6.124 4.366 1.928) 7.764 8.454 ( -0.427 -2.108 -10.520) 10.738 8.485 ( -7.475 11.677 2.037) 14.014 8.788 ( 3.023 -0.893 1.644) 3.555 9.123 ( -0.585 -5.783 -3.181) 6.626 9.467 ( 8.226 -4.159 4.520) 10.266 9.651 ( -0.019 -0.127 -2.570) 2.573 10.484 ( 3.657 1.401 -3.830) 5.478 11.112 ( -2.593 -6.979 4.689) 8.799 11.334 ( 0.341 3.558 -1.505) 3.878 11.785 ( -3.058 -3.582 -2.882) 5.522 12.092 ( 2.659 -1.622 -1.390) 3.411 12.345 ( -0.922 1.140 -0.938) 1.740 13.005 ( 3.694 3.519 1.886) 5.439 13.263 ( 2.753 -5.393 4.947) 7.819 13.512 ( -0.985 -1.920 0.925) 2.347 14.318 ( 1.796 2.077 -1.974) 3.381 14.573 ( 5.231 6.377 2.007) 8.488 14.947 ( -7.166 -7.321 -1.964) 10.431 15.106 ( -5.619 -4.304 3.705) 7.989 15.198 ( 6.167 5.658 -4.800) 9.648 21.066 ( -0.680 1.046 -0.397) 1.309 21.149 ( -0.563 0.225 -0.495) 0.783 21.930 ( -1.965 1.206 7.557) 7.901 22.129 ( 1.368 -0.571 -7.732) 7.873 22.740 ( -1.281 0.325 3.431) 3.677 22.899 ( 1.426 0.132 -3.047) 3.367 24.047 ( -4.323 -3.350 14.804) 15.782 24.382 ( 3.836 1.842 -14.426) 15.040 25.456 ( -10.184 0.606 12.776) 16.350 25.736 ( 2.420 -0.652 -5.935) 6.442 25.914 ( 5.103 0.397 -4.312) 6.693 26.348 ( -0.922 3.245 -1.270) 3.605 ======================= Grid point 201 (106/128) ======================= q-point: (-0.29 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -2.197 -1.185 11.853) 12.113 2.490 ( -7.169 9.076 10.221) 15.435 2.843 ( 1.664 1.863 7.710) 8.104 2.948 ( 0.590 4.450 3.698) 5.816 3.277 ( -6.854 -2.311 -4.847) 8.707 3.372 ( -5.566 11.923 3.025) 13.501 3.478 ( -2.409 3.061 -5.470) 6.715 4.069 ( -12.917 0.189 -9.455) 16.008 4.279 ( 0.642 -1.484 4.483) 4.765 4.512 ( -5.458 -5.166 -14.409) 16.251 4.789 ( -5.583 7.047 -1.560) 9.125 4.974 ( 2.781 4.220 24.805) 25.314 5.051 ( -1.046 4.155 0.074) 4.285 5.174 ( -7.660 6.647 -3.791) 10.827 5.377 ( -4.211 12.690 -5.880) 14.606 5.594 ( -0.351 -6.183 15.799) 16.970 5.731 ( 3.649 -4.868 16.620) 17.698 6.065 ( 1.847 17.062 -7.987) 18.929 6.205 ( -2.185 5.800 4.145) 7.456 6.220 ( -5.436 4.553 -2.990) 7.695 6.299 ( -2.254 3.782 0.236) 4.409 6.513 ( 3.705 6.443 -6.394) 9.804 6.644 ( 0.204 -9.129 7.554) 11.850 6.887 ( 2.197 -0.747 -5.533) 6.000 7.082 ( -1.137 -5.238 3.672) 6.498 7.569 ( -1.025 -11.162 -9.653) 14.792 7.858 ( -2.870 -2.524 0.891) 3.924 8.151 ( -5.693 4.520 -3.394) 8.023 8.236 ( -2.425 3.725 5.436) 7.022 8.448 ( 4.377 2.757 -12.884) 13.884 8.938 ( 5.038 -6.700 5.113) 9.819 9.141 ( -2.463 -3.878 -5.138) 6.892 9.580 ( 0.729 1.036 8.600) 8.693 9.865 ( 10.803 -11.558 -1.902) 15.934 10.528 ( 8.043 -0.528 -3.334) 8.722 11.156 ( -12.610 -2.708 4.698) 13.726 11.322 ( 7.372 -0.070 2.079) 7.660 11.769 ( -4.474 -3.541 -5.178) 7.705 12.132 ( 2.994 0.354 -5.071) 5.900 12.251 ( -3.955 4.084 -6.018) 8.279 13.032 ( 10.901 5.707 2.348) 12.526 13.485 ( 9.837 -9.426 -0.609) 13.638 13.557 ( -1.741 -4.156 1.405) 4.720 14.297 ( -0.887 1.361 0.770) 1.798 14.593 ( 7.293 3.200 3.477) 8.690 14.892 ( -13.660 -4.944 -2.886) 14.811 15.081 ( -7.299 -1.834 3.087) 8.134 15.193 ( 7.050 4.211 -4.795) 9.509 21.034 ( -0.799 1.481 1.882) 2.525 21.141 ( -0.663 -0.191 -0.005) 0.690 21.918 ( -1.725 1.096 7.660) 7.928 22.112 ( 0.694 0.294 -6.937) 6.978 22.748 ( 0.242 -0.619 3.269) 3.335 22.900 ( 0.507 0.238 -1.992) 2.069 24.100 ( -5.847 -4.654 12.784) 14.808 24.343 ( 3.947 1.628 -15.196) 15.785 25.362 ( -9.621 1.202 16.176) 18.860 25.742 ( 1.501 -0.513 -8.539) 8.685 25.948 ( 5.265 2.106 -4.796) 7.427 26.216 ( -3.959 7.801 -1.031) 8.809 ======================= Grid point 202 (107/128) ======================= q-point: (-0.14 0.00 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.462 -4.866 18.033) 18.684 2.336 ( -3.451 6.695 11.186) 13.485 2.818 ( -6.098 6.574 9.355) 12.958 2.879 ( 1.542 5.799 -1.559) 6.200 3.091 ( -2.902 0.761 -5.742) 6.479 3.307 ( -1.930 -2.000 -1.266) 3.054 3.365 ( 0.499 3.739 -4.383) 5.783 3.766 ( -19.842 2.168 -6.891) 21.116 4.329 ( -1.385 -2.802 2.563) 4.042 4.435 ( -4.323 -0.544 -7.854) 8.981 4.620 ( 1.601 9.367 -0.497) 9.516 4.859 ( -8.602 8.664 -1.126) 12.261 4.901 ( -2.087 7.182 11.113) 13.395 5.172 ( 1.444 0.182 4.616) 4.840 5.199 ( -0.808 3.715 2.525) 4.564 5.736 ( -5.642 -2.564 13.287) 14.661 5.786 ( 4.631 8.212 -9.674) 13.508 5.910 ( 0.108 -5.580 12.179) 13.397 6.111 ( -4.043 3.536 6.885) 8.732 6.147 ( 4.905 3.244 -7.853) 9.811 6.225 ( -3.313 2.802 8.730) 9.749 6.480 ( 4.048 -0.580 -10.583) 11.346 6.689 ( -6.956 0.035 9.655) 11.900 6.943 ( 7.911 0.016 -15.123) 17.067 7.201 ( 4.185 -5.606 5.187) 8.709 7.482 ( -10.941 3.350 2.539) 11.721 7.918 ( 0.256 -2.176 1.202) 2.499 8.102 ( 1.780 -5.948 -13.695) 15.037 8.217 ( -2.408 -0.984 6.000) 6.540 8.388 ( 4.841 5.351 -11.850) 13.874 9.064 ( -0.373 -3.104 -0.258) 3.137 9.134 ( -4.327 -1.245 0.207) 4.507 9.699 ( 9.210 -3.555 9.131) 13.448 10.095 ( 2.772 -6.919 -4.961) 8.953 10.709 ( 13.475 -3.289 -2.347) 14.068 10.971 ( -14.030 2.915 5.353) 15.297 11.450 ( 5.111 -0.430 7.023) 8.697 11.734 ( -3.452 -2.401 -6.635) 7.855 12.069 ( -5.729 2.949 -4.235) 7.711 12.133 ( 0.786 1.607 -10.182) 10.338 13.162 ( 13.310 1.998 4.793) 14.287 13.563 ( -5.310 -2.337 -0.492) 5.822 13.795 ( 16.649 -7.070 -6.270) 19.144 14.235 ( -10.630 -0.510 1.592) 10.761 14.676 ( 2.574 -1.519 0.694) 3.069 14.747 ( -6.614 1.337 4.442) 8.079 15.003 ( -6.660 0.598 4.401) 8.006 15.192 ( 3.168 2.061 -7.288) 8.210 21.031 ( 1.479 0.727 3.093) 3.504 21.131 ( -0.883 -0.094 -0.932) 1.288 21.918 ( -1.190 0.525 7.428) 7.541 22.086 ( 0.636 0.442 -6.047) 6.097 22.793 ( 2.107 -1.300 1.946) 3.149 22.884 ( -0.973 0.655 -0.645) 1.339 24.138 ( -6.964 -5.044 9.954) 13.153 24.312 ( 4.980 2.062 -13.745) 14.764 25.308 ( -5.719 1.038 17.955) 18.872 25.718 ( 0.701 -0.173 -12.214) 12.236 25.957 ( 4.192 2.463 -3.730) 6.128 26.028 ( -5.106 6.399 1.057) 8.254 ======================= Grid point 204 (108/128) ======================= q-point: ( 0.14 0.14 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.464 -0.000 10.437) 10.447 2.456 ( 7.789 -0.000 -10.428) 13.016 2.876 ( 13.157 -0.000 4.160) 13.799 2.991 ( 9.837 -0.000 -7.948) 12.647 3.080 ( -1.722 0.000 -12.408) 12.527 3.247 ( 6.892 -0.000 8.813) 11.188 3.373 ( 3.743 -0.000 2.673) 4.600 4.011 ( 23.529 -0.000 3.319) 23.762 4.372 ( 3.323 -0.000 3.059) 4.516 4.378 ( -0.198 0.000 10.487) 10.488 4.542 ( 2.959 -0.000 -4.509) 5.393 4.848 ( 8.988 -0.000 6.494) 11.089 4.966 ( 2.524 -0.000 -8.055) 8.441 5.068 ( -1.362 0.000 16.509) 16.565 5.224 ( -12.223 0.000 21.517) 24.747 5.456 ( -0.825 0.000 -22.430) 22.445 5.810 ( -5.317 0.000 12.932) 13.982 5.868 ( -5.158 0.000 2.440) 5.706 6.035 ( -1.429 0.000 -5.343) 5.531 6.301 ( -0.117 0.000 3.226) 3.228 6.447 ( 10.487 -0.000 -14.246) 17.690 6.527 ( -4.048 0.000 22.841) 23.197 6.609 ( 9.259 -0.000 -16.799) 19.182 7.053 ( 9.090 -0.000 -16.833) 19.130 7.083 ( -6.875 0.000 9.135) 11.433 7.709 ( 8.558 -0.000 0.579) 8.577 7.792 ( -6.950 0.000 10.495) 12.588 8.102 ( 1.886 -0.000 -10.236) 10.408 8.241 ( 4.454 -0.000 -2.127) 4.935 8.362 ( 2.670 -0.000 -6.239) 6.786 9.086 ( 5.475 -0.000 1.842) 5.776 9.288 ( 4.377 -0.000 -2.728) 5.158 9.687 ( -13.002 0.000 -4.160) 13.651 10.041 ( -3.913 0.000 2.374) 4.577 10.584 ( -5.591 0.000 -5.595) 7.910 11.291 ( 11.409 -0.000 -9.030) 14.550 11.469 ( -7.786 0.000 -2.869) 8.297 11.638 ( 3.708 -0.000 10.176) 10.831 11.884 ( -8.180 0.000 11.638) 14.225 12.021 ( 1.374 -0.000 2.009) 2.433 12.979 ( -21.042 0.000 -3.557) 21.340 13.437 ( -12.132 0.000 15.200) 19.448 13.576 ( 1.968 -0.000 2.967) 3.560 14.418 ( 1.744 -0.000 -9.405) 9.565 14.760 ( -6.156 0.000 -8.142) 10.207 14.814 ( 11.762 -0.000 5.689) 13.066 14.997 ( -3.443 0.000 9.237) 9.858 15.192 ( 9.326 -0.000 -4.338) 10.285 21.082 ( 0.812 -0.000 -3.410) 3.505 21.172 ( 3.419 -0.000 -2.584) 4.286 21.957 ( -1.986 0.000 7.116) 7.388 22.061 ( 2.433 -0.000 -7.544) 7.927 22.782 ( -1.478 0.000 -0.596) 1.593 22.914 ( 1.095 -0.000 -0.702) 1.300 24.068 ( -2.447 0.000 8.176) 8.534 24.393 ( 4.268 -0.000 -4.653) 6.314 25.530 ( 0.921 -0.000 10.365) 10.406 25.665 ( 7.303 -0.000 -14.632) 16.353 25.797 ( -0.654 0.000 7.284) 7.313 26.043 ( 1.664 -0.000 -1.391) 2.169 ======================= Grid point 205 (109/128) ======================= q-point: ( 0.29 0.14 -0.56) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 5.367 5.776 4.037) 8.858 2.517 ( 7.866 -0.451 -6.343) 10.115 2.921 ( 1.017 2.484 1.039) 2.878 3.004 ( 4.050 1.427 -12.622) 13.333 3.317 ( 11.337 -5.647 4.164) 13.333 3.381 ( 2.385 5.334 2.668) 6.423 3.440 ( 12.038 -8.149 -2.506) 14.751 4.246 ( 14.067 5.465 0.563) 15.102 4.361 ( 1.072 4.026 6.030) 7.330 4.515 ( 7.245 3.715 6.177) 10.220 4.649 ( 5.915 -9.681 1.589) 11.456 5.029 ( -0.632 -1.647 14.559) 14.666 5.044 ( 4.365 -7.663 -3.409) 9.455 5.087 ( -1.077 -1.884 15.052) 15.207 5.210 ( -2.915 -0.354 3.608) 4.652 5.507 ( -0.521 -15.755 -3.737) 16.201 5.702 ( -8.971 -0.727 -4.592) 10.104 5.875 ( -0.421 0.336 6.721) 6.743 6.005 ( -0.213 -3.680 -0.162) 3.689 6.278 ( -3.273 0.859 3.538) 4.896 6.504 ( 6.510 0.156 -12.170) 13.803 6.574 ( 3.302 3.316 8.446) 9.656 6.685 ( 6.926 -2.209 -14.731) 16.427 7.003 ( -1.574 2.691 0.222) 3.125 7.173 ( 7.411 -3.595 -5.445) 9.874 7.573 ( -2.378 13.157 7.610) 15.384 7.941 ( -5.174 -5.290 6.798) 10.048 8.068 ( 8.603 1.742 -4.889) 10.047 8.311 ( 8.000 1.018 -4.014) 9.008 8.418 ( 5.254 -3.429 -6.079) 8.736 9.065 ( -2.001 10.193 -0.963) 10.432 9.237 ( 2.520 3.370 -1.521) 4.474 9.646 ( -0.260 -5.375 -3.552) 6.448 9.886 ( -9.687 8.112 -2.277) 12.838 10.453 ( -5.097 1.038 -5.934) 7.891 11.257 ( -6.904 5.149 -0.477) 8.626 11.426 ( 3.147 -0.713 -4.788) 5.774 11.734 ( -0.078 4.853 7.570) 8.992 11.822 ( -5.658 -5.803 13.501) 15.747 12.158 ( 5.152 -8.617 4.104) 10.847 12.743 ( -17.101 -6.397 -0.371) 18.262 13.356 ( -4.323 4.430 14.782) 16.026 13.571 ( -2.901 0.372 -0.253) 2.936 14.408 ( 1.300 -3.640 -12.619) 13.197 14.573 ( -9.244 2.123 -9.633) 13.519 14.927 ( -6.594 -2.983 5.696) 9.210 15.037 ( 8.799 3.772 8.563) 12.844 15.309 ( 10.543 1.962 -2.748) 11.071 21.085 ( 1.679 0.213 -2.620) 3.119 21.195 ( 2.503 0.783 -3.393) 4.288 21.955 ( -2.584 0.066 7.530) 7.961 22.072 ( 2.560 -1.145 -8.021) 8.497 22.767 ( -0.477 0.123 -0.247) 0.551 22.913 ( 0.149 0.430 -1.446) 1.516 24.054 ( -0.949 3.279 10.395) 10.941 24.435 ( 3.484 -0.579 -5.692) 6.699 25.538 ( -5.489 0.169 11.393) 12.648 25.719 ( 8.883 0.809 -11.504) 14.557 25.844 ( 4.616 2.232 3.218) 6.053 26.137 ( 2.575 -8.368 -1.226) 8.840 ======================= Grid point 206 (110/128) ======================= q-point: ( 0.43 0.14 -0.56) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 13.034 15.133 -3.417) 20.262 2.643 ( 1.105 -7.323 2.724) 7.891 2.910 ( -1.119 -1.662 0.883) 2.189 3.019 ( 4.860 1.565 -8.809) 10.182 3.248 ( -3.551 7.499 2.603) 8.696 3.495 ( 6.567 0.456 6.669) 9.370 3.727 ( 10.412 -6.025 -9.154) 15.117 4.213 ( 1.145 10.197 2.327) 10.522 4.352 ( 0.526 1.251 0.144) 1.364 4.530 ( 5.250 6.718 2.486) 8.881 4.924 ( 5.846 -7.383 6.051) 11.194 4.991 ( -3.784 2.021 6.190) 7.531 5.129 ( -0.313 1.555 2.836) 3.250 5.203 ( 0.713 -2.980 18.152) 18.408 5.435 ( 4.918 -13.323 6.451) 15.599 5.496 ( -5.894 -4.440 -3.788) 8.295 5.766 ( -4.497 -6.684 7.119) 10.751 5.835 ( -0.755 -3.928 -10.158) 10.917 6.231 ( -1.685 -6.516 3.232) 7.466 6.273 ( 7.529 -5.326 9.458) 13.210 6.514 ( 3.535 3.345 -7.032) 8.552 6.564 ( 2.334 1.835 -2.922) 4.166 6.725 ( 5.417 -1.163 -16.747) 17.640 6.940 ( -4.724 2.265 3.757) 6.447 7.263 ( 7.315 8.007 0.516) 10.858 7.393 ( 4.341 11.051 -1.745) 12.000 7.756 ( -11.482 6.674 6.421) 14.751 8.257 ( 0.336 -8.450 -1.657) 8.617 8.402 ( 10.953 2.403 -1.149) 11.272 8.544 ( 7.146 -3.962 -4.679) 9.416 8.894 ( 2.890 6.681 -2.560) 7.716 9.225 ( 2.448 7.813 1.046) 8.254 9.542 ( -8.568 10.057 -4.134) 13.844 9.674 ( -1.711 -1.278 -6.778) 7.106 10.434 ( 1.712 -4.138 -3.144) 5.472 11.059 ( -11.297 3.749 5.047) 12.928 11.434 ( 2.994 2.963 -3.954) 5.778 11.659 ( -9.429 -3.583 7.519) 12.581 11.946 ( 1.210 -5.254 6.706) 8.605 12.350 ( 4.339 -1.809 0.281) 4.709 12.740 ( -7.611 -15.074 4.726) 17.536 13.313 ( 1.765 4.937 9.637) 10.971 13.505 ( -4.565 0.352 -0.795) 4.647 14.370 ( -6.475 1.025 -10.930) 12.745 14.474 ( -1.098 -8.000 -10.445) 13.202 14.858 ( -11.982 -3.035 5.278) 13.440 15.118 ( 8.346 6.156 7.475) 12.784 15.382 ( 9.100 4.839 -3.115) 10.767 21.096 ( 1.820 0.605 -1.393) 2.371 21.185 ( 1.007 1.885 -2.567) 3.340 21.952 ( -2.604 0.083 7.837) 8.259 22.091 ( 2.163 -1.410 -8.083) 8.486 22.758 ( -0.584 0.591 1.624) 1.824 22.901 ( 0.368 0.058 -3.068) 3.091 24.044 ( -0.886 2.828 13.189) 13.518 24.443 ( 3.176 1.184 -9.925) 10.488 25.491 ( -7.276 1.335 14.396) 16.186 25.761 ( 6.393 2.536 -7.327) 10.050 25.903 ( 6.199 -0.430 -2.479) 6.690 26.293 ( 1.850 -6.334 -1.658) 6.804 ======================= Grid point 207 (111/128) ======================= q-point: (-0.43 0.14 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 13.926 17.426 -1.337) 22.347 2.761 ( -1.754 -4.381 6.993) 8.436 2.881 ( -4.860 11.974 4.584) 13.712 2.956 ( -1.097 -3.710 1.752) 4.247 3.180 ( 0.700 -2.598 -9.074) 9.464 3.565 ( 3.847 2.415 0.178) 4.546 3.793 ( 1.641 7.238 0.850) 7.470 4.081 ( 0.080 6.044 -4.342) 7.442 4.295 ( -6.442 0.709 -0.747) 6.524 4.469 ( 0.162 4.445 -6.115) 7.561 4.916 ( -2.395 3.266 4.405) 5.984 5.027 ( 3.352 2.203 9.074) 9.921 5.154 ( 0.401 0.848 -2.416) 2.592 5.313 ( 0.509 0.876 11.821) 11.864 5.480 ( -0.285 -6.078 7.016) 9.287 5.579 ( -5.137 0.959 17.011) 17.796 5.833 ( -1.439 4.164 -1.908) 4.801 6.022 ( 4.972 -19.252 1.148) 19.917 6.250 ( -1.318 -2.423 -0.950) 2.917 6.408 ( -1.154 1.135 7.090) 7.272 6.429 ( 3.705 7.600 -1.889) 8.664 6.641 ( 2.314 3.548 -14.287) 14.902 6.745 ( 4.565 -1.472 -5.632) 7.397 6.820 ( -5.923 1.851 6.696) 9.129 7.136 ( 2.989 12.821 1.183) 13.218 7.280 ( 4.468 7.981 -3.669) 9.855 7.679 ( -3.959 -7.498 1.675) 8.643 8.317 ( -5.515 -3.075 -1.224) 6.432 8.453 ( 9.899 4.736 -5.816) 12.419 8.541 ( -7.740 9.155 -3.566) 12.508 8.918 ( 8.424 1.694 0.128) 8.593 9.038 ( -1.117 3.333 -3.904) 5.253 9.543 ( 8.904 -4.054 2.303) 10.050 9.623 ( -1.828 -0.195 -2.619) 3.200 10.538 ( 6.715 -1.616 -6.190) 9.275 10.923 ( -12.370 -5.596 7.717) 15.617 11.404 ( 3.017 2.875 -3.937) 5.733 11.638 ( -8.790 -5.410 5.146) 11.533 12.066 ( 1.979 -4.103 2.446) 5.171 12.341 ( -1.989 2.042 -3.417) 4.450 12.966 ( 1.873 -12.523 5.908) 13.973 13.360 ( 6.369 -0.935 1.845) 6.696 13.441 ( -3.664 0.694 3.818) 5.337 14.244 ( -7.230 -2.680 -8.967) 11.826 14.547 ( -0.233 -6.990 -8.886) 11.309 14.762 ( -11.389 -3.577 4.327) 12.697 15.144 ( 5.199 6.615 7.155) 11.044 15.386 ( 6.842 6.673 -4.046) 10.378 21.097 ( 1.571 1.881 -0.777) 2.571 21.153 ( -0.285 1.506 -0.365) 1.576 21.946 ( -2.603 0.396 7.967) 8.391 22.102 ( 1.812 -0.842 -7.833) 8.084 22.748 ( -0.849 0.587 3.701) 3.842 22.897 ( 0.893 -0.396 -4.447) 4.553 24.048 ( -2.829 1.545 14.929) 15.273 24.407 ( 3.676 2.269 -14.482) 15.112 25.426 ( -7.203 2.672 17.535) 19.144 25.762 ( 3.816 1.980 -7.786) 8.894 25.991 ( 7.378 0.166 -3.816) 8.308 26.339 ( -2.038 -0.528 -2.371) 3.171 ======================= Grid point 208 (112/128) ======================= q-point: (-0.29 0.14 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 12.430 14.029 4.662) 19.314 2.583 ( -8.099 10.509 2.515) 13.504 2.863 ( 0.119 -3.360 7.350) 8.083 3.006 ( -0.503 -1.608 3.911) 4.258 3.185 ( 2.103 1.603 -4.951) 5.612 3.511 ( -5.546 11.943 2.500) 13.403 3.563 ( -2.269 10.814 3.642) 11.635 3.897 ( -8.346 7.114 -17.556) 20.699 4.228 ( -4.141 -3.520 2.618) 6.033 4.389 ( 0.393 0.468 -10.932) 10.949 4.866 ( 2.113 5.787 5.589) 8.318 5.084 ( -2.038 3.556 -0.361) 4.115 5.120 ( 2.385 -0.809 4.829) 5.447 5.242 ( -3.300 6.716 5.610) 9.352 5.547 ( -0.318 2.266 8.892) 9.181 5.634 ( 0.894 10.542 15.845) 19.052 5.760 ( 0.805 -3.447 17.069) 17.432 6.202 ( 2.680 -0.652 -13.463) 13.742 6.239 ( -0.106 4.495 3.738) 5.848 6.309 ( -3.620 9.642 -6.891) 12.391 6.362 ( -4.354 10.111 6.304) 12.685 6.518 ( -3.714 -4.292 7.600) 9.486 6.654 ( 3.113 7.094 -5.972) 9.781 6.894 ( 5.265 -2.688 -4.001) 7.139 7.058 ( 2.166 0.075 1.196) 2.475 7.332 ( -0.302 -9.661 -7.391) 12.168 7.787 ( 4.306 -5.087 -2.642) 7.169 8.092 ( -13.063 5.630 -5.994) 15.436 8.307 ( -4.781 6.545 8.814) 11.974 8.517 ( 7.872 1.525 -13.342) 15.566 8.985 ( 2.585 1.407 5.856) 6.554 9.066 ( 4.230 -2.717 -6.242) 8.015 9.612 ( -0.096 -1.234 6.828) 6.940 9.786 ( 5.651 -9.726 -5.541) 12.539 10.634 ( 10.029 -1.176 -2.853) 10.493 10.907 ( -12.430 -7.760 3.598) 15.089 11.441 ( 8.091 0.126 -1.524) 8.234 11.615 ( -8.660 -4.882 3.246) 10.458 12.117 ( -1.329 0.081 0.089) 1.334 12.242 ( -1.777 3.450 -6.522) 7.589 13.189 ( 6.906 -5.045 3.597) 9.278 13.409 ( -7.163 -5.647 2.930) 9.580 13.562 ( 13.873 -4.455 2.593) 14.800 14.137 ( -12.748 -4.235 -7.749) 15.508 14.609 ( 1.193 -4.410 -4.789) 6.619 14.705 ( -7.237 -3.823 2.957) 8.703 15.118 ( 1.876 6.994 7.818) 10.656 15.335 ( 4.007 6.588 -5.667) 9.569 21.081 ( 1.888 2.500 0.621) 3.194 21.132 ( -0.752 0.367 -0.169) 0.854 21.938 ( -2.324 0.496 7.807) 8.160 22.099 ( 1.717 0.177 -7.238) 7.441 22.757 ( -0.160 -0.548 4.498) 4.534 22.894 ( 0.690 -0.183 -4.662) 4.716 24.040 ( -6.056 0.061 15.900) 17.014 24.365 ( 5.277 1.810 -17.553) 18.418 25.371 ( -5.189 2.955 18.987) 19.904 25.740 ( 2.883 1.663 -10.563) 11.075 26.057 ( 6.787 2.483 -2.899) 7.787 26.237 ( -5.951 4.667 -1.948) 7.810 ======================= Grid point 209 (113/128) ======================= q-point: (-0.14 0.14 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 10.657 6.854 10.175) 16.250 2.371 ( -5.890 2.645 -4.679) 7.974 2.932 ( -2.462 5.222 16.868) 17.829 2.987 ( -3.987 3.695 6.870) 8.760 3.102 ( 3.900 8.798 -3.221) 10.149 3.251 ( 1.296 2.241 -7.180) 7.632 3.509 ( 5.281 3.718 -0.831) 6.512 3.548 ( -11.558 8.416 -10.541) 17.763 4.268 ( -0.752 -3.302 1.510) 3.708 4.366 ( 1.270 -0.884 -8.002) 8.151 4.826 ( 2.123 8.090 5.892) 10.231 4.900 ( -4.283 9.616 -2.650) 10.856 5.092 ( -1.395 6.899 7.594) 10.354 5.189 ( -1.756 3.010 -1.208) 3.689 5.419 ( 3.523 15.432 18.355) 24.238 5.668 ( -2.598 -1.202 10.447) 10.832 5.854 ( -5.105 -2.810 11.816) 13.175 5.975 ( -0.296 15.079 -7.509) 16.848 6.152 ( 0.557 4.732 1.607) 5.028 6.227 ( 4.111 -0.018 -7.183) 8.276 6.281 ( 0.280 3.381 3.405) 4.807 6.435 ( -2.654 -0.367 -0.187) 2.686 6.677 ( -0.239 0.767 2.330) 2.465 6.978 ( 7.105 -1.412 -15.883) 17.457 7.159 ( -2.880 -6.038 12.425) 14.111 7.394 ( 0.799 -4.101 -9.232) 10.133 7.888 ( -2.382 -1.860 0.878) 3.147 7.970 ( 3.209 -6.032 -7.819) 10.383 8.222 ( -3.148 2.554 9.371) 10.210 8.478 ( 4.348 5.231 -14.619) 16.124 9.004 ( -4.516 -1.798 6.013) 7.732 9.124 ( 4.680 -0.451 -5.646) 7.347 9.745 ( 4.901 -7.395 7.635) 11.705 9.918 ( -2.793 -8.327 -8.297) 12.082 10.758 ( -9.354 -2.952 6.531) 11.784 10.910 ( 12.768 -2.719 -7.712) 15.162 11.555 ( 3.047 0.295 5.068) 5.921 11.590 ( -5.203 -5.241 0.014) 7.385 12.034 ( -4.359 3.675 0.802) 5.758 12.141 ( 0.222 4.352 -7.687) 8.836 13.350 ( 6.279 -0.540 4.726) 7.877 13.405 ( -7.044 -5.482 1.165) 9.002 13.890 ( -1.490 -4.435 0.215) 4.683 13.934 ( -2.979 -6.917 -3.090) 8.141 14.661 ( -3.802 -2.949 3.295) 5.832 14.725 ( 4.995 -2.233 -2.973) 6.227 15.059 ( -0.214 6.154 9.086) 10.976 15.245 ( 0.902 5.154 -8.273) 9.789 21.087 ( 2.162 1.041 1.024) 2.609 21.116 ( 0.054 0.322 -1.777) 1.807 21.938 ( -1.671 0.197 7.326) 7.517 22.085 ( 1.901 0.903 -6.657) 6.982 22.796 ( -0.021 -1.666 3.917) 4.257 22.881 ( 0.646 0.374 -4.022) 4.090 24.028 ( -7.249 -2.403 14.646) 16.518 24.351 ( 6.470 1.024 -16.278) 17.546 25.366 ( -1.183 1.929 17.609) 17.753 25.701 ( 3.072 1.775 -13.710) 14.161 26.027 ( -7.689 5.672 2.420) 9.856 26.088 ( 4.852 5.358 -2.988) 7.822 ======================= Grid point 212 (114/128) ======================= q-point: ( 0.29 0.29 -0.56) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -4.781 0.000 13.277) 14.112 2.627 ( 9.549 -0.000 -13.299) 16.372 2.959 ( 2.397 -0.000 -5.774) 6.252 3.092 ( 5.662 -0.000 -11.110) 12.469 3.400 ( 13.738 -0.000 -5.985) 14.985 3.549 ( 12.126 -0.000 1.148) 12.180 3.555 ( 7.721 -0.000 6.514) 10.102 4.320 ( -1.350 0.000 -1.216) 1.817 4.542 ( 6.236 -0.000 0.913) 6.303 4.564 ( 1.819 -0.000 11.752) 11.892 4.760 ( 4.462 -0.000 7.081) 8.370 4.988 ( 4.676 -0.000 -2.512) 5.308 5.074 ( -0.076 0.000 16.586) 16.586 5.214 ( 3.005 -0.000 -8.471) 8.988 5.234 ( -4.989 0.000 26.562) 27.027 5.367 ( 14.178 -0.000 -3.783) 14.674 5.517 ( -12.199 0.000 -4.191) 12.899 5.925 ( -2.068 0.000 -5.206) 5.602 5.979 ( 5.589 -0.000 14.137) 15.202 6.262 ( -1.997 0.000 4.969) 5.355 6.512 ( 3.672 -0.000 -16.645) 17.045 6.679 ( 5.255 -0.000 -17.004) 17.797 6.726 ( 7.752 -0.000 5.291) 9.386 7.053 ( -3.977 0.000 15.502) 16.004 7.158 ( 7.612 -0.000 -17.133) 18.748 7.783 ( -2.147 0.000 1.925) 2.883 7.784 ( -1.115 0.000 12.712) 12.761 8.206 ( 9.831 -0.000 -8.321) 12.880 8.418 ( 6.942 -0.000 -2.601) 7.413 8.439 ( 5.138 -0.000 -0.852) 5.208 9.107 ( -2.883 0.000 -6.717) 7.309 9.307 ( 6.986 -0.000 1.459) 7.136 9.591 ( -0.029 0.000 -4.967) 4.967 9.804 ( -10.886 0.000 -3.323) 11.382 10.338 ( -5.577 0.000 -4.741) 7.320 11.245 ( -12.690 0.000 1.433) 12.771 11.320 ( -1.282 0.000 -1.353) 1.864 11.698 ( -7.891 0.000 8.337) 11.479 12.014 ( 12.121 -0.000 13.199) 17.920 12.087 ( -0.624 0.000 7.097) 7.125 12.478 ( -11.441 0.000 -1.962) 11.608 13.436 ( -0.811 0.000 18.607) 18.625 13.490 ( -6.793 0.000 -4.956) 8.408 14.319 ( 0.852 -0.000 -16.520) 16.542 14.383 ( -10.526 0.000 -13.111) 16.814 14.796 ( -11.725 0.000 4.901) 12.708 15.248 ( 8.651 -0.000 9.517) 12.861 15.460 ( 9.690 -0.000 -2.339) 9.968 21.105 ( 2.080 -0.000 -1.465) 2.544 21.224 ( 2.638 -0.000 -4.134) 4.904 21.947 ( -3.451 0.000 8.707) 9.365 22.066 ( 3.140 -0.000 -8.858) 9.398 22.768 ( 0.589 -0.000 -0.597) 0.838 22.903 ( -1.182 0.000 -0.915) 1.495 24.127 ( 1.322 -0.000 7.652) 7.765 24.443 ( 0.916 -0.000 -1.669) 1.904 25.517 ( -5.423 0.000 14.259) 15.255 25.813 ( 10.209 -0.000 -9.996) 14.287 26.017 ( 8.963 -0.000 0.646) 8.987 26.036 ( -0.472 0.000 -3.308) 3.341 ======================= Grid point 213 (115/128) ======================= q-point: ( 0.43 0.29 -0.56) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -5.645 -6.673 11.020) 14.066 2.688 ( 6.559 -1.576 -13.027) 14.670 2.944 ( 5.373 7.995 -3.020) 10.094 3.111 ( 10.255 1.911 -8.515) 13.465 3.352 ( -6.193 10.460 3.558) 12.666 3.631 ( 5.112 1.806 0.752) 5.474 3.822 ( 17.242 -1.799 -7.205) 18.773 4.252 ( -9.222 -0.419 3.643) 9.925 4.461 ( 1.033 10.715 7.586) 13.169 4.664 ( -1.246 4.332 1.857) 4.875 4.902 ( 7.809 -8.280 4.595) 12.274 5.062 ( -0.206 4.478 -2.218) 5.001 5.138 ( 0.376 -4.959 17.451) 18.145 5.246 ( 2.041 -3.288 0.230) 3.877 5.285 ( -2.005 -8.976 -2.577) 9.552 5.408 ( -0.645 -0.245 11.435) 11.455 5.646 ( 8.098 -8.075 2.518) 11.710 5.837 ( -1.292 4.763 -0.867) 5.011 6.143 ( -1.880 -4.273 9.213) 10.328 6.330 ( 5.247 -3.752 7.074) 9.574 6.484 ( 2.794 -1.663 -16.597) 16.913 6.643 ( 1.116 1.653 -13.589) 13.735 6.827 ( 10.245 5.316 0.295) 11.546 6.971 ( -2.502 6.827 8.205) 10.963 7.326 ( 7.126 -10.555 -5.133) 13.731 7.599 ( -0.974 12.505 4.918) 13.473 7.871 ( 0.328 6.588 1.182) 6.701 8.199 ( 0.747 5.497 1.523) 5.752 8.432 ( 3.509 -2.765 -8.560) 9.655 8.634 ( 7.910 -4.434 2.819) 9.496 9.061 ( 7.200 5.586 -6.047) 10.937 9.317 ( -5.392 6.927 -1.281) 8.871 9.551 ( -0.634 0.555 -9.204) 9.242 9.611 ( -3.264 1.741 -0.545) 3.739 10.349 ( 1.475 -6.514 -0.840) 6.731 10.972 ( -15.888 5.244 3.803) 17.158 11.388 ( -1.696 -6.938 -0.232) 7.146 11.584 ( -6.311 5.319 5.351) 9.837 11.999 ( 2.612 3.441 8.567) 9.595 12.379 ( -3.607 -0.579 -3.987) 5.407 12.435 ( 4.714 -17.481 12.511) 22.008 13.347 ( -6.212 0.512 -8.316) 10.392 13.504 ( -0.327 1.238 16.975) 17.024 14.198 ( -6.629 0.336 -12.266) 13.946 14.311 ( 0.243 -6.292 -15.050) 16.314 14.652 ( -13.348 -2.403 3.134) 13.920 15.351 ( 5.975 4.425 8.545) 11.326 15.545 ( 7.086 2.841 -3.089) 8.236 21.126 ( 1.722 0.361 -0.110) 1.762 21.225 ( 1.950 1.841 -3.895) 4.729 21.940 ( -3.626 -0.455 9.075) 9.783 22.078 ( 3.380 -0.481 -8.969) 9.597 22.772 ( 0.401 0.622 0.779) 1.074 22.882 ( -1.113 -0.430 -1.840) 2.193 24.153 ( 1.380 3.555 9.074) 9.843 24.442 ( 0.223 -0.250 -4.152) 4.166 25.505 ( -4.236 1.722 16.280) 16.910 25.873 ( 5.840 4.082 -8.626) 11.188 25.985 ( 5.672 1.061 -2.585) 6.323 26.204 ( 2.851 -6.841 -2.963) 7.981 ======================= Grid point 214 (116/128) ======================= q-point: (-0.43 0.29 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.769 -6.555 8.644) 10.992 2.750 ( 6.733 -0.015 -8.588) 10.913 2.871 ( 3.044 5.182 -4.160) 7.309 3.012 ( -11.406 14.510 6.854) 19.688 3.243 ( 10.333 1.278 -2.127) 10.627 3.626 ( -0.859 1.553 -5.388) 5.673 3.957 ( 10.480 6.334 -4.943) 13.205 4.138 ( -12.983 -1.034 6.567) 14.586 4.265 ( -3.556 14.778 7.922) 17.140 4.543 ( 2.346 8.121 -10.432) 13.427 4.974 ( -0.699 0.965 1.146) 1.653 5.089 ( 1.152 -1.623 1.558) 2.527 5.187 ( 1.155 3.495 2.519) 4.460 5.356 ( 0.416 -7.197 10.510) 12.745 5.467 ( 2.111 0.057 15.359) 15.504 5.528 ( -3.789 -8.794 10.128) 13.937 5.843 ( 7.068 -11.108 -10.276) 16.702 5.846 ( 2.607 -3.837 4.771) 6.654 6.174 ( -4.459 -3.165 7.571) 9.339 6.366 ( -4.222 0.306 -0.146) 4.236 6.534 ( -0.500 1.638 -4.744) 5.043 6.618 ( 8.021 -5.541 -15.643) 18.432 6.854 ( -5.807 4.086 13.311) 15.086 6.869 ( 9.971 10.313 -3.574) 14.783 7.407 ( 2.004 14.069 3.139) 14.553 7.525 ( -4.143 2.524 1.850) 5.192 7.670 ( 16.848 13.663 -4.948) 22.249 8.163 ( -8.517 -2.876 0.034) 8.989 8.478 ( -0.484 -0.965 -8.238) 8.309 8.609 ( -7.104 8.854 -3.527) 11.887 9.007 ( 7.916 2.994 -4.903) 9.781 9.183 ( 0.305 5.194 3.241) 6.130 9.581 ( 6.349 -3.169 -6.997) 9.965 9.600 ( -0.453 -0.371 3.491) 3.540 10.535 ( 7.542 -8.780 -3.960) 12.233 10.716 ( -14.668 1.350 5.289) 15.651 11.452 ( -7.314 -4.757 6.870) 11.105 11.472 ( 2.497 2.354 -2.943) 4.521 12.069 ( 2.784 -1.978 5.370) 6.364 12.313 ( -3.043 0.577 -5.322) 6.158 12.804 ( 3.248 -15.095 12.129) 19.635 13.257 ( -4.526 -3.959 -10.063) 11.723 13.557 ( 2.137 1.421 15.060) 15.277 14.064 ( -5.999 0.116 -11.464) 12.940 14.392 ( 1.692 -8.381 -7.718) 11.518 14.551 ( -9.622 -5.154 -0.325) 10.920 15.361 ( 3.271 6.977 8.020) 11.122 15.540 ( 3.892 5.465 -4.335) 7.988 21.138 ( 1.122 0.756 0.336) 1.394 21.190 ( 0.970 3.061 -2.500) 4.070 21.937 ( -3.640 -0.531 8.831) 9.566 22.095 ( 3.503 -0.337 -8.708) 9.392 22.765 ( -0.684 0.923 3.553) 3.734 22.874 ( 0.257 -1.008 -4.270) 4.395 24.134 ( -1.371 4.928 12.476) 13.484 24.418 ( 1.718 0.938 -9.953) 10.143 25.483 ( -3.434 3.698 17.860) 18.559 25.823 ( 3.267 3.683 -9.687) 10.866 26.078 ( 6.934 -0.813 -1.779) 7.205 26.266 ( -2.480 -2.523 -3.794) 5.187 ======================= Grid point 215 (117/128) ======================= q-point: (-0.29 0.29 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.774 9.458 4.288) 10.535 2.626 ( -5.070 12.276 -1.485) 13.364 2.816 ( 1.118 -1.672 5.239) 5.612 2.912 ( 0.371 -7.256 -2.841) 7.801 3.349 ( 7.360 2.958 6.057) 9.981 3.493 ( -11.553 2.530 -7.034) 13.760 3.760 ( -8.567 17.768 9.753) 22.005 3.953 ( 2.293 10.602 -5.802) 12.302 4.186 ( 2.776 0.986 2.724) 4.012 4.423 ( 5.637 6.196 -14.542) 16.783 4.990 ( 0.875 0.182 3.631) 3.740 5.070 ( -4.480 0.501 -1.689) 4.814 5.172 ( 0.712 4.230 10.647) 11.478 5.293 ( -4.451 5.311 0.533) 6.950 5.613 ( 2.168 0.010 15.810) 15.958 5.671 ( -4.632 -8.236 16.375) 18.906 5.883 ( 1.692 2.269 0.326) 2.849 6.094 ( 3.972 -9.655 -15.486) 18.676 6.252 ( -0.437 -7.194 9.360) 11.814 6.306 ( -2.998 0.267 1.378) 3.311 6.458 ( -4.934 1.539 4.020) 6.548 6.667 ( 3.707 21.981 6.363) 23.182 6.743 ( 1.363 -1.707 -2.476) 3.302 6.824 ( -0.451 -3.241 -10.612) 11.105 7.238 ( 1.430 18.861 -0.988) 18.941 7.311 ( 6.529 5.582 -4.675) 9.780 7.838 ( 4.776 -0.090 -0.072) 4.777 7.935 ( -5.958 2.484 -9.781) 11.719 8.346 ( -6.567 3.197 8.614) 11.294 8.565 ( 5.350 -1.014 -11.384) 12.619 9.047 ( -6.477 5.014 2.756) 8.642 9.103 ( 6.232 0.642 -2.767) 6.849 9.597 ( -4.980 -2.139 4.862) 7.281 9.724 ( 7.310 -4.133 -7.102) 10.998 10.599 ( -11.652 -5.419 7.812) 15.039 10.762 ( 12.542 -5.939 -8.073) 16.054 11.421 ( -8.629 -3.651 6.717) 11.529 11.541 ( 7.938 -1.277 -3.789) 8.888 12.123 ( -1.197 0.906 4.590) 4.829 12.248 ( 0.846 1.675 -6.601) 6.862 13.094 ( -1.425 -12.632 10.370) 16.406 13.253 ( -1.942 -6.137 -4.755) 8.003 13.687 ( 5.617 -3.904 10.845) 12.823 13.901 ( -8.174 1.722 -9.664) 12.774 14.511 ( -2.424 -6.641 0.665) 7.101 14.577 ( 3.919 -6.849 -5.607) 9.680 15.300 ( 0.084 8.125 8.144) 11.504 15.449 ( 0.457 6.956 -6.118) 9.275 21.131 ( -0.958 1.105 0.122) 1.468 21.152 ( 2.240 2.478 -1.737) 3.765 21.933 ( -3.197 -0.506 8.263) 8.875 22.107 ( 3.505 0.336 -8.223) 8.945 22.765 ( -0.951 -0.140 4.945) 5.038 22.876 ( 1.008 -0.649 -5.549) 5.677 24.071 ( -5.153 4.720 15.386) 16.898 24.387 ( 4.212 1.229 -14.354) 15.010 25.458 ( -2.021 3.924 17.462) 18.011 25.774 ( 3.656 2.754 -12.344) 13.166 26.143 ( -2.323 1.157 1.432) 2.964 26.209 ( 0.874 1.349 -4.172) 4.471 ======================= Grid point 216 (118/128) ======================= q-point: (-0.14 0.29 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -10.921 5.721 -5.786) 13.619 2.554 ( 11.326 13.106 3.601) 17.692 2.883 ( -3.465 -5.280 6.269) 8.899 3.029 ( -1.720 -1.502 6.658) 7.038 3.181 ( -5.550 4.304 -9.687) 11.965 3.384 ( -2.904 6.116 10.271) 12.302 3.593 ( 6.329 3.359 9.826) 12.161 3.765 ( 8.691 18.128 -9.176) 22.099 4.251 ( 3.892 -1.363 0.861) 4.212 4.379 ( 5.270 2.668 -11.196) 12.659 4.906 ( -6.089 5.507 1.181) 8.295 5.024 ( 1.552 3.723 2.265) 4.626 5.156 ( -3.040 2.667 14.149) 14.716 5.190 ( -2.922 1.804 0.484) 3.468 5.595 ( -6.306 5.182 7.359) 10.990 5.744 ( -2.183 -1.670 6.096) 6.687 5.873 ( 0.028 5.296 8.951) 10.401 6.144 ( 1.226 2.055 -10.393) 10.665 6.175 ( -6.064 8.048 4.128) 10.890 6.301 ( 2.074 1.942 -3.733) 4.691 6.438 ( 3.611 12.427 13.448) 18.663 6.440 ( 1.149 2.414 -0.118) 2.676 6.732 ( 4.015 3.037 -2.920) 5.820 6.916 ( 4.549 -8.901 -18.178) 20.745 7.057 ( -5.076 0.082 5.828) 7.730 7.331 ( 2.439 -1.404 -8.039) 8.517 7.766 ( -1.780 -5.104 -1.314) 5.563 8.044 ( 10.934 2.398 -0.641) 11.212 8.262 ( -4.218 3.020 9.475) 10.802 8.550 ( 3.659 4.536 -13.861) 15.036 8.945 ( -5.245 -1.300 5.823) 7.944 9.107 ( -1.906 -1.065 -5.636) 6.044 9.636 ( -4.259 -9.334 4.066) 11.036 9.817 ( 3.616 -2.092 -7.594) 8.667 10.559 ( -9.318 -4.062 2.950) 10.585 11.025 ( 14.585 -6.688 -6.026) 17.140 11.373 ( -9.734 -3.623 4.646) 11.378 11.662 ( 6.722 -0.190 -0.682) 6.759 12.070 ( -2.595 3.923 4.876) 6.775 12.206 ( 2.846 4.259 -4.246) 6.653 13.184 ( -9.200 -6.857 3.904) 12.120 13.374 ( -0.579 -5.735 6.132) 8.416 13.631 ( -12.958 1.572 -4.771) 13.897 14.013 ( 14.602 -8.696 4.722) 17.639 14.567 ( -1.414 -4.199 -0.836) 4.509 14.755 ( 8.599 -4.959 -2.071) 10.141 15.189 ( -2.970 7.596 8.183) 11.553 15.294 ( -2.045 6.437 -8.480) 10.841 21.096 ( -0.919 0.810 -0.944) 1.546 21.152 ( 2.440 1.018 -2.059) 3.351 21.938 ( -2.344 -0.601 7.477) 7.858 22.108 ( 3.258 1.186 -7.634) 8.384 22.781 ( -1.427 -1.026 3.986) 4.356 22.877 ( 1.642 -0.371 -4.793) 5.080 23.999 ( -6.314 2.127 16.281) 17.591 24.380 ( 5.820 0.272 -14.946) 16.041 25.467 ( 0.430 2.187 14.477) 14.647 25.729 ( 4.463 2.627 -14.901) 15.775 25.986 ( -10.345 4.118 3.632) 11.712 26.234 ( 5.644 3.678 -1.206) 6.844 ======================= Grid point 220 (119/128) ======================= q-point: ( 0.43 0.43 -0.56) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -5.769 0.000 10.797) 12.241 2.634 ( 0.471 -0.000 -14.353) 14.361 3.137 ( 10.190 -0.000 1.608) 10.316 3.223 ( 7.390 -0.000 -3.386) 8.129 3.381 ( -7.220 0.000 2.789) 7.740 3.599 ( -7.954 0.000 -5.483) 9.661 4.047 ( 17.852 -0.000 -7.415) 19.330 4.135 ( -9.560 0.000 9.886) 13.752 4.595 ( -8.339 0.000 18.298) 20.109 4.729 ( 9.412 -0.000 -6.104) 11.218 4.954 ( 0.535 -0.000 5.424) 5.450 5.028 ( 0.855 -0.000 -6.758) 6.812 5.128 ( -2.133 0.000 -1.608) 2.671 5.201 ( 3.141 -0.000 -9.250) 9.768 5.232 ( 2.898 -0.000 15.502) 15.771 5.508 ( 3.605 -0.000 17.528) 17.894 5.665 ( 1.753 -0.000 -4.957) 5.257 5.875 ( -2.814 0.000 4.079) 4.956 6.115 ( -4.891 0.000 11.179) 12.202 6.400 ( 5.570 -0.000 4.142) 6.941 6.427 ( 2.574 -0.000 -17.279) 17.469 6.612 ( 2.049 -0.000 -12.849) 13.012 6.921 ( -5.678 0.000 16.620) 17.563 7.197 ( 5.158 -0.000 -13.464) 14.418 7.274 ( 15.770 -0.000 7.187) 17.330 7.706 ( -2.169 0.000 -4.508) 5.003 7.903 ( 3.250 -0.000 7.458) 8.135 8.303 ( -0.377 0.000 -11.465) 11.471 8.542 ( 4.938 -0.000 3.356) 5.971 8.587 ( 3.029 -0.000 4.654) 5.553 9.153 ( 3.470 -0.000 -9.009) 9.654 9.248 ( -13.938 0.000 0.021) 13.938 9.530 ( 5.399 -0.000 -6.820) 8.698 9.586 ( -1.719 0.000 -1.554) 2.318 10.359 ( 8.355 -0.000 2.566) 8.741 10.776 ( -17.911 0.000 2.487) 18.083 11.352 ( 3.560 -0.000 0.760) 3.640 11.559 ( -6.392 0.000 1.131) 6.492 12.106 ( -1.438 0.000 6.453) 6.611 12.222 ( -1.719 0.000 2.966) 3.428 12.521 ( 9.330 -0.000 10.255) 13.864 13.193 ( -7.569 0.000 -13.600) 15.564 13.580 ( -2.083 0.000 19.828) 19.937 14.137 ( -4.191 0.000 -16.289) 16.819 14.175 ( 5.358 -0.000 -7.339) 9.087 14.455 ( -12.136 0.000 -0.648) 12.154 15.481 ( 2.613 -0.000 7.839) 8.263 15.631 ( 3.992 -0.000 -3.691) 5.437 21.151 ( 0.968 -0.000 1.269) 1.596 21.248 ( 1.706 -0.000 -4.954) 5.239 21.924 ( -3.887 0.000 9.387) 10.160 22.088 ( 4.087 -0.000 -9.276) 10.136 22.792 ( 1.139 -0.000 0.211) 1.158 22.848 ( -2.128 0.000 -0.336) 2.155 24.247 ( 2.412 -0.000 6.145) 6.601 24.415 ( -1.846 0.000 -0.889) 2.049 25.552 ( -1.646 0.000 16.184) 16.267 25.922 ( 0.821 -0.000 -9.098) 9.135 26.058 ( 5.803 -0.000 -2.344) 6.259 26.172 ( 2.156 -0.000 -3.932) 4.485 ======================= Grid point 221 (120/128) ======================= q-point: (-0.43 -0.57 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -3.726 -8.348 12.058) 15.131 2.625 ( -0.186 -6.273 -11.571) 13.163 3.093 ( -13.307 14.017 6.741) 20.470 3.182 ( 10.617 11.054 -1.632) 15.413 3.371 ( 5.519 -1.758 4.007) 7.043 3.473 ( -12.908 -4.126 -5.411) 14.592 4.038 ( -8.036 2.689 7.131) 11.076 4.206 ( 14.187 4.254 -7.472) 16.589 4.432 ( -9.011 11.115 14.209) 20.166 4.737 ( 8.715 10.653 -10.940) 17.582 4.919 ( -5.149 -2.191 4.705) 7.311 5.054 ( 0.991 -2.725 -6.893) 7.478 5.206 ( -1.963 -9.121 4.061) 10.175 5.302 ( 0.616 -5.238 4.994) 7.263 5.362 ( 0.957 -2.732 9.098) 9.547 5.624 ( 7.154 -0.767 7.148) 10.142 5.688 ( -2.141 -6.022 -0.874) 6.451 5.835 ( -1.106 -1.582 -1.673) 2.554 6.099 ( -6.263 -2.316 11.637) 13.417 6.351 ( -0.111 4.069 -6.578) 7.735 6.511 ( 2.084 -2.883 -4.315) 5.592 6.598 ( 3.118 -1.097 -10.803) 11.297 6.862 ( -9.420 2.943 16.528) 19.250 7.139 ( 6.227 7.608 -7.686) 12.479 7.527 ( 6.859 0.341 1.575) 7.046 7.622 ( 3.761 3.422 -7.268) 8.870 7.999 ( -2.455 -0.494 4.287) 4.964 8.113 ( 0.751 11.645 -5.194) 12.773 8.498 ( 5.634 6.595 2.288) 8.970 8.595 ( -7.921 8.155 -5.353) 12.565 9.083 ( -8.977 -3.813 4.961) 10.942 9.176 ( 4.815 0.525 -3.780) 6.144 9.547 ( -6.369 -1.469 1.039) 6.618 9.613 ( 5.846 -2.805 -5.226) 8.328 10.526 ( -2.437 0.933 3.743) 4.563 10.605 ( 6.021 -3.459 -3.733) 7.884 11.399 ( -1.391 1.709 5.381) 5.815 11.490 ( 0.818 -1.958 -2.949) 3.633 12.118 ( 1.930 0.273 5.639) 5.966 12.240 ( -0.340 -1.737 -4.551) 4.883 12.752 ( 6.231 -6.969 14.950) 17.632 13.057 ( -7.121 -4.469 -13.670) 16.049 13.643 ( -0.653 -0.075 19.096) 19.107 13.980 ( -3.939 2.601 -12.056) 12.947 14.313 ( -0.078 -4.148 -2.243) 4.717 14.351 ( 2.503 -6.051 -6.221) 9.032 15.499 ( -0.448 3.676 7.296) 8.182 15.621 ( 0.602 3.200 -4.621) 5.653 21.161 ( 0.058 0.633 1.731) 1.844 21.228 ( 0.727 1.687 -4.717) 5.062 21.914 ( -3.835 -0.501 9.048) 9.840 22.107 ( 4.274 -0.138 -9.297) 10.233 22.788 ( -0.854 1.450 2.713) 3.192 22.840 ( 0.093 -1.579 -2.252) 2.752 24.251 ( -0.640 5.280 8.590) 10.103 24.397 ( -0.087 -1.028 -4.673) 4.786 25.585 ( -0.525 3.120 15.780) 16.094 25.862 ( 1.287 2.387 -10.676) 11.015 26.128 ( 2.139 -0.947 -0.393) 2.372 26.174 ( -1.783 -2.498 -4.640) 5.563 ======================= Grid point 222 (121/128) ======================= q-point: (-0.29 -0.57 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -7.317 -6.263 11.481) 14.986 2.651 ( -5.636 2.706 -1.096) 6.348 2.803 ( -1.713 -2.966 1.499) 3.739 3.095 ( 6.032 14.421 -0.434) 15.638 3.258 ( -15.314 0.240 -3.541) 15.720 3.477 ( 2.191 0.619 7.223) 7.573 3.853 ( -8.952 7.964 2.843) 12.314 4.175 ( -0.972 10.067 11.889) 15.609 4.334 ( 10.718 4.200 -8.919) 14.563 4.625 ( 8.836 11.733 -11.424) 18.607 4.932 ( -4.833 -4.439 4.696) 8.069 5.018 ( -1.893 2.819 -1.508) 3.715 5.280 ( -4.921 0.985 -1.503) 5.239 5.324 ( 0.453 3.350 11.554) 12.039 5.451 ( -7.771 -12.723 13.681) 20.234 5.691 ( -6.437 -0.504 5.330) 8.373 5.843 ( 7.369 -7.812 -7.215) 12.938 5.938 ( 5.281 -8.792 -8.888) 13.571 6.167 ( -2.201 -9.166 13.949) 16.836 6.246 ( -5.205 2.287 4.707) 7.381 6.491 ( -0.439 5.032 -1.369) 5.233 6.626 ( -0.351 -4.542 -13.283) 14.042 6.746 ( -7.718 0.505 4.885) 9.148 7.033 ( 3.105 12.494 -2.003) 13.029 7.486 ( 4.062 13.036 -5.529) 14.732 7.618 ( 9.353 3.612 -5.081) 11.240 7.651 ( -18.506 10.467 -3.366) 21.526 8.194 ( 14.833 7.656 -3.143) 16.986 8.316 ( -5.492 1.035 6.602) 8.649 8.585 ( 7.433 0.764 -1.783) 7.682 8.938 ( -13.974 1.177 2.035) 14.170 9.232 ( 2.766 4.637 -1.348) 5.566 9.456 ( -9.208 -2.547 4.008) 10.361 9.714 ( 2.295 -4.605 -6.658) 8.414 10.449 ( -4.993 -2.185 3.703) 6.589 10.838 ( 14.689 -2.928 -5.475) 15.948 11.359 ( -2.502 1.542 5.353) 6.107 11.594 ( 7.430 -3.895 -3.608) 9.132 12.129 ( -1.700 1.077 1.051) 2.270 12.272 ( 4.676 -0.273 -3.345) 5.756 12.934 ( -5.919 -7.091 5.554) 10.778 13.101 ( 3.766 -10.530 -0.476) 11.193 13.677 ( -6.499 1.956 9.503) 11.677 13.904 ( 5.577 0.214 -1.945) 5.911 14.334 ( -3.372 -9.204 -3.712) 10.482 14.581 ( 12.538 -5.473 -2.547) 13.916 15.423 ( -3.477 6.216 7.016) 9.998 15.507 ( -2.948 6.113 -6.092) 9.120 21.140 ( -1.182 1.706 0.558) 2.149 21.192 ( 0.572 1.317 -3.273) 3.574 21.912 ( -3.311 -0.867 8.481) 9.146 22.127 ( 4.019 0.040 -9.074) 9.925 22.768 ( -1.750 0.370 4.011) 4.392 22.860 ( 1.412 -0.884 -3.564) 3.934 24.159 ( -4.401 6.798 12.177) 14.624 24.392 ( 2.542 0.069 -9.415) 9.752 25.576 ( -0.737 4.614 13.700) 14.475 25.807 ( 3.197 2.112 -12.900) 13.457 26.057 ( -9.181 0.515 0.081) 9.196 26.239 ( 3.595 -3.027 -1.243) 4.862 ======================= Grid point 223 (122/128) ======================= q-point: (-0.14 -0.57 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -14.932 10.315 0.024) 18.148 2.749 ( -0.020 -7.448 7.644) 10.673 2.889 ( -2.131 1.352 1.558) 2.966 2.945 ( -6.565 2.288 8.750) 11.175 3.138 ( 7.771 0.020 -9.111) 11.975 3.481 ( -1.819 4.176 7.526) 8.797 3.670 ( -3.777 2.648 6.582) 8.037 4.086 ( 3.033 7.823 2.772) 8.836 4.377 ( 8.201 3.467 -6.183) 10.840 4.498 ( 4.944 11.644 -11.933) 17.391 4.904 ( -3.684 0.178 3.005) 4.757 5.012 ( -0.766 -2.064 9.007) 9.272 5.158 ( -5.296 3.193 -2.406) 6.636 5.291 ( -1.995 7.119 15.551) 17.219 5.520 ( -7.667 -4.775 3.116) 9.555 5.658 ( -6.186 -5.436 3.804) 9.072 5.955 ( 2.673 -1.715 -8.172) 8.768 6.083 ( 0.586 -2.023 8.226) 8.491 6.229 ( -2.519 -5.904 1.739) 6.650 6.329 ( -1.986 11.271 2.643) 11.746 6.409 ( 3.708 -9.737 1.855) 10.583 6.586 ( -6.011 -3.045 -8.701) 11.005 6.712 ( -2.732 -3.973 -1.368) 5.012 6.883 ( 5.552 7.598 -1.330) 9.504 7.232 ( -1.528 19.031 -6.826) 20.276 7.301 ( -3.944 5.362 -7.551) 10.066 7.750 ( 9.936 -2.654 -3.140) 10.753 8.170 ( -4.718 1.173 9.099) 10.316 8.386 ( 10.264 4.836 1.558) 11.452 8.604 ( 1.155 4.600 -8.900) 10.085 8.837 ( -2.854 -6.360 6.286) 9.387 9.055 ( -7.662 7.032 -3.649) 11.021 9.468 ( -3.511 -5.308 4.497) 7.793 9.749 ( -1.706 -4.162 -9.189) 10.231 10.457 ( -1.542 -1.675 1.775) 2.886 11.041 ( 7.443 -4.850 -2.368) 9.194 11.320 ( -0.665 2.170 2.738) 3.556 11.740 ( 7.628 -1.086 -4.181) 8.766 12.088 ( -2.249 0.841 1.498) 2.830 12.300 ( 3.727 2.547 -1.184) 4.667 12.984 ( -5.412 -7.830 4.401) 10.486 13.292 ( -1.716 -3.726 5.358) 6.748 13.529 ( -4.814 2.203 -1.327) 5.458 14.095 ( 10.761 -5.856 5.600) 13.471 14.461 ( 1.289 -9.078 -1.990) 9.383 14.816 ( 11.282 -3.605 -1.023) 11.888 15.274 ( -6.486 7.578 5.563) 11.421 15.311 ( -5.105 6.433 -7.207) 10.926 21.096 ( -1.000 1.292 -0.701) 1.778 21.174 ( 0.332 0.425 -2.507) 2.564 21.923 ( -2.467 -1.094 7.798) 8.252 22.135 ( 3.297 0.648 -8.509) 9.148 22.761 ( -1.971 -0.524 3.527) 4.074 22.877 ( 1.891 -0.461 -3.550) 4.049 24.049 ( -5.359 5.345 15.066) 16.860 24.389 ( 4.029 -0.255 -12.471) 13.108 25.556 ( -1.512 2.512 10.435) 10.840 25.762 ( 2.979 2.342 -13.867) 14.375 25.916 ( -7.695 1.767 3.809) 8.766 26.320 ( 3.283 -0.988 -0.455) 3.459 ======================= Grid point 228 (123/128) ======================= q-point: (-0.43 -0.43 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -3.099 0.000 14.983) 15.300 2.525 ( 0.553 -0.000 -8.595) 8.613 3.116 ( -12.809 0.000 6.314) 14.281 3.120 ( -18.169 0.000 3.495) 18.502 3.390 ( 1.209 -0.000 2.122) 2.442 3.464 ( 7.798 -0.000 6.514) 10.160 3.970 ( -9.163 0.000 0.318) 9.169 4.385 ( 12.806 -0.000 -12.102) 17.620 4.479 ( -8.288 0.000 13.726) 16.034 4.831 ( -5.450 0.000 9.961) 11.355 4.879 ( -6.807 0.000 6.352) 9.310 4.939 ( 0.869 -0.000 -10.995) 11.029 5.209 ( 9.144 -0.000 -11.794) 14.923 5.210 ( 0.692 -0.000 -3.300) 3.372 5.453 ( 0.094 -0.000 17.045) 17.045 5.492 ( -5.352 0.000 -8.916) 10.399 5.770 ( -1.575 0.000 -7.065) 7.238 5.840 ( 8.210 -0.000 14.407) 16.582 6.032 ( -7.764 0.000 13.643) 15.698 6.390 ( 3.435 -0.000 -12.770) 13.224 6.452 ( -4.962 0.000 0.311) 4.971 6.548 ( -1.525 0.000 -9.457) 9.579 6.850 ( -7.124 0.000 17.536) 18.928 7.168 ( -2.968 0.000 -8.252) 8.770 7.533 ( -6.038 0.000 -15.571) 16.701 7.689 ( 9.417 -0.000 -1.865) 9.600 8.060 ( -0.817 0.000 11.629) 11.657 8.076 ( -2.380 0.000 -9.055) 9.362 8.613 ( -4.604 0.000 -2.925) 5.455 8.661 ( -0.320 0.000 -1.387) 1.424 8.917 ( -6.210 0.000 12.951) 14.363 9.256 ( 8.773 -0.000 -1.141) 8.847 9.421 ( -9.531 0.000 2.918) 9.967 9.613 ( 1.645 -0.000 -4.267) 4.573 10.438 ( -5.360 0.000 -4.443) 6.962 10.820 ( 21.813 -0.000 -1.943) 21.900 11.378 ( -5.182 0.000 -1.871) 5.510 11.512 ( 4.808 -0.000 5.986) 7.678 12.183 ( 5.258 -0.000 2.717) 5.919 12.235 ( 2.607 -0.000 -4.113) 4.870 12.815 ( -11.885 0.000 -14.758) 18.948 12.889 ( 10.752 -0.000 15.005) 18.460 13.728 ( -0.196 0.000 21.594) 21.595 13.919 ( 0.314 -0.000 -10.488) 10.493 14.150 ( -7.386 0.000 -6.574) 9.888 14.477 ( 15.941 -0.000 -2.369) 16.116 15.527 ( -3.812 0.000 6.560) 7.588 15.613 ( -2.354 0.000 -5.087) 5.605 21.173 ( -0.531 0.000 2.244) 2.306 21.217 ( -0.965 0.000 -5.190) 5.279 21.896 ( -3.636 0.000 8.877) 9.592 22.124 ( 4.124 -0.000 -9.629) 10.475 22.788 ( -2.105 0.000 0.604) 2.190 22.833 ( 1.345 -0.000 1.029) 1.694 24.341 ( -2.276 0.000 -1.942) 2.992 24.341 ( 0.435 -0.000 5.350) 5.368 25.685 ( 1.044 -0.000 13.692) 13.731 25.843 ( 0.925 -0.000 -11.405) 11.443 26.056 ( -7.533 0.000 -3.073) 8.135 26.148 ( 0.565 -0.000 -1.068) 1.208 ======================= Grid point 229 (124/128) ======================= q-point: (-0.29 -0.43 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -7.609 -4.992 15.716) 18.161 2.571 ( 0.748 -5.498 -0.040) 5.549 2.824 ( -7.265 8.743 7.082) 13.393 2.944 ( -19.979 0.048 3.462) 20.277 3.376 ( 0.947 3.858 3.254) 5.135 3.549 ( 1.933 2.211 6.241) 6.898 3.797 ( -10.713 1.643 -3.552) 11.406 4.326 ( -5.077 9.471 11.336) 15.619 4.453 ( 5.580 1.614 -13.449) 14.649 4.766 ( -7.389 0.044 13.648) 15.520 4.892 ( 4.556 4.499 -7.476) 9.843 4.958 ( -6.654 -11.829 1.276) 13.632 5.183 ( 2.179 -2.159 -0.387) 3.092 5.275 ( -1.408 1.855 -4.302) 4.892 5.457 ( 1.047 -0.727 -0.633) 1.424 5.520 ( -4.066 -2.888 10.922) 12.007 5.733 ( -1.183 -2.552 -14.615) 14.883 5.919 ( -4.048 -5.655 -1.709) 7.161 6.091 ( 2.325 -3.191 18.910) 19.317 6.274 ( -4.892 4.639 6.775) 9.558 6.456 ( -2.164 -5.352 -10.669) 12.131 6.504 ( -1.975 -3.246 -8.299) 9.128 6.744 ( -6.219 9.739 8.550) 14.375 7.078 ( -4.961 -2.170 -8.363) 9.963 7.394 ( -9.988 -0.772 -5.592) 11.473 7.709 ( 5.621 8.497 -5.720) 11.683 7.890 ( 1.905 9.777 1.225) 10.036 8.229 ( -0.945 -11.017 0.305) 11.061 8.356 ( -2.991 12.504 -3.435) 13.308 8.696 ( -5.090 -2.976 -2.594) 6.442 8.881 ( -1.752 4.427 10.682) 11.694 9.276 ( -0.640 5.979 2.210) 6.407 9.397 ( 0.325 -1.805 5.009) 5.334 9.644 ( 2.291 -1.554 -4.493) 5.277 10.384 ( -0.682 -1.576 -3.303) 3.723 11.050 ( 14.882 4.393 -4.052) 16.037 11.359 ( -0.640 -2.627 1.088) 2.915 11.630 ( 7.589 -3.190 3.378) 8.898 12.162 ( 1.180 6.077 -6.126) 8.709 12.331 ( 5.711 -0.937 -0.541) 5.813 12.667 ( -9.540 -10.792 -8.725) 16.841 13.144 ( 12.505 -2.376 10.240) 16.336 13.710 ( -4.678 7.888 7.290) 11.715 13.984 ( 8.540 -4.448 1.919) 9.818 14.123 ( -3.046 -8.332 -0.972) 8.924 14.711 ( 15.291 -2.343 -2.469) 15.666 15.454 ( -6.714 3.185 5.861) 9.465 15.504 ( -5.385 4.173 -6.164) 9.187 21.149 ( -1.973 1.684 -0.746) 2.699 21.181 ( -1.289 -0.242 -1.554) 2.034 21.892 ( -3.078 -0.658 8.548) 9.110 22.137 ( 3.417 -0.219 -9.484) 10.084 22.761 ( -1.905 0.356 1.986) 2.774 22.861 ( 1.361 -0.519 0.021) 1.457 24.247 ( -3.045 5.675 4.922) 8.106 24.378 ( 0.346 -1.128 -2.630) 2.883 25.686 ( -2.888 5.000 9.092) 10.770 25.810 ( 2.021 0.530 -12.298) 12.474 25.937 ( -7.546 0.044 1.709) 7.737 26.182 ( -0.786 -5.725 -1.035) 5.870 ======================= Grid point 230 (125/128) ======================= q-point: (-0.14 -0.43 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -18.202 11.101 8.504) 22.954 2.661 ( -5.276 -3.822 6.278) 9.047 2.716 ( -7.520 -7.381 17.378) 20.324 2.903 ( 2.538 -7.436 -3.498) 8.600 3.316 ( 2.533 6.679 0.326) 7.150 3.531 ( -0.338 2.399 2.203) 3.274 3.631 ( -8.413 0.193 -1.203) 8.501 4.209 ( -0.544 5.062 5.573) 7.548 4.387 ( -3.994 1.141 -8.751) 9.686 4.726 ( 0.885 9.818 2.374) 10.140 4.818 ( -3.974 -0.751 1.117) 4.196 5.022 ( -2.825 -6.135 -0.931) 6.818 5.128 ( -6.296 3.832 -0.871) 7.421 5.327 ( -2.387 -4.437 7.086) 8.694 5.430 ( 1.690 -0.332 1.643) 2.380 5.538 ( -4.824 -0.608 15.904) 16.631 5.716 ( -5.968 -10.836 -14.690) 19.205 6.035 ( 1.797 -11.337 -7.646) 13.792 6.202 ( -2.076 -0.213 15.049) 15.193 6.318 ( 2.661 -7.309 6.988) 10.456 6.432 ( -3.517 -1.955 -5.379) 6.718 6.508 ( -8.386 -6.419 -6.469) 12.385 6.536 ( 3.891 9.763 -1.070) 10.565 7.007 ( -2.455 0.918 -6.721) 7.214 7.186 ( -10.853 6.926 5.563) 14.025 7.565 ( 5.724 15.242 -11.136) 19.725 7.869 ( 6.647 1.971 -3.062) 7.579 8.189 ( -1.355 4.774 3.246) 5.930 8.367 ( -5.368 -11.630 2.739) 13.098 8.577 ( -5.601 2.653 -7.138) 9.453 8.827 ( -2.722 3.083 3.806) 5.604 9.206 ( 6.172 9.912 3.519) 12.196 9.426 ( 0.566 0.581 3.845) 3.930 9.656 ( 1.553 0.277 -4.134) 4.425 10.427 ( 1.949 -2.611 -1.650) 3.652 11.126 ( 7.117 2.128 -1.026) 7.498 11.351 ( -2.812 1.778 2.693) 4.280 11.818 ( 9.296 -0.475 -6.343) 11.264 12.063 ( -0.975 0.010 -3.507) 3.640 12.351 ( -0.042 0.391 -1.440) 1.493 12.810 ( 2.204 -12.221 -0.633) 12.435 13.321 ( 4.856 3.174 5.093) 7.719 13.543 ( -2.134 4.986 1.424) 5.607 14.192 ( 8.225 -2.382 5.543) 10.201 14.311 ( 3.976 -13.360 2.499) 14.162 14.936 ( 12.608 -2.375 -2.265) 13.028 15.280 ( -8.907 7.297 -6.971) 13.460 15.301 ( -8.531 5.146 4.120) 10.781 21.090 ( -2.332 0.770 -0.938) 2.629 21.162 ( -0.959 0.142 -0.543) 1.111 21.905 ( -2.359 -1.200 8.080) 8.502 22.142 ( 2.403 -0.126 -8.724) 9.050 22.744 ( -1.699 -0.043 2.967) 3.419 22.884 ( 1.500 -0.326 -1.440) 2.105 24.132 ( -4.316 6.256 10.861) 13.256 24.376 ( 1.890 -0.599 -9.430) 9.636 25.567 ( -9.237 2.568 8.039) 12.511 25.765 ( 1.075 1.612 -8.540) 8.757 25.886 ( 0.057 0.321 -0.502) 0.599 26.278 ( -0.230 -6.648 -0.582) 6.677 ======================= Grid point 236 (126/128) ======================= q-point: (-0.29 -0.29 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -11.267 0.000 17.968) 21.208 2.555 ( -1.987 0.000 14.943) 15.075 2.722 ( -8.549 0.000 -4.428) 9.627 2.867 ( -7.953 0.000 9.851) 12.661 3.315 ( -11.549 0.000 8.544) 14.366 3.597 ( -2.189 0.000 3.174) 3.856 3.622 ( -9.430 0.000 -6.900) 11.685 4.413 ( -4.643 0.000 -10.904) 11.851 4.429 ( -3.330 0.000 9.580) 10.142 4.580 ( -11.650 0.000 4.441) 12.468 4.876 ( -0.047 0.000 13.978) 13.978 5.002 ( 6.988 -0.000 -7.423) 10.195 5.065 ( -6.530 0.000 -6.058) 8.907 5.270 ( -4.108 0.000 -5.356) 6.750 5.516 ( 10.532 -0.000 -7.342) 12.839 5.516 ( -7.284 0.000 -0.607) 7.309 5.684 ( -14.024 0.000 14.541) 20.202 5.693 ( 4.758 -0.000 -15.906) 16.603 6.164 ( -2.690 0.000 19.739) 19.921 6.278 ( -7.391 0.000 11.624) 13.774 6.313 ( -2.032 0.000 -10.548) 10.742 6.391 ( -1.406 0.000 -12.132) 12.213 6.847 ( -4.242 0.000 12.734) 13.422 6.897 ( -2.406 0.000 -12.824) 13.048 7.277 ( -4.411 0.000 -5.758) 7.253 7.819 ( 2.489 -0.000 -2.083) 3.246 7.960 ( -12.108 0.000 13.177) 17.895 8.090 ( 7.218 -0.000 -12.932) 14.810 8.463 ( -4.790 0.000 -3.839) 6.139 8.492 ( -7.073 0.000 -6.685) 9.732 8.935 ( 2.131 -0.000 9.485) 9.722 9.344 ( -4.689 0.000 -1.929) 5.071 9.404 ( 2.542 -0.000 10.449) 10.753 9.756 ( 11.779 -0.000 0.363) 11.785 10.360 ( 2.864 -0.000 -4.389) 5.241 11.269 ( 5.621 -0.000 -1.925) 5.941 11.292 ( -0.119 0.000 0.182) 0.218 11.754 ( 12.089 -0.000 4.333) 12.842 12.248 ( 0.790 -0.000 -6.811) 6.856 12.280 ( -14.175 0.000 -11.269) 18.109 12.483 ( 13.777 -0.000 -3.461) 14.205 13.376 ( 14.712 -0.000 6.163) 15.951 13.804 ( -2.417 0.000 -16.197) 16.376 13.909 ( -0.030 0.000 22.401) 22.401 14.165 ( 9.585 -0.000 7.006) 11.872 14.883 ( 13.224 -0.000 -3.551) 13.693 15.389 ( -9.307 0.000 4.826) 10.484 15.421 ( -7.715 0.000 -7.142) 10.513 21.107 ( -4.079 0.000 -2.215) 4.641 21.166 ( -1.009 0.000 1.559) 1.858 21.884 ( -2.609 0.000 8.468) 8.860 22.134 ( 2.312 -0.000 -9.066) 9.356 22.748 ( -1.144 0.000 1.360) 1.778 22.877 ( 0.822 -0.000 1.491) 1.703 24.276 ( 0.285 -0.000 -5.445) 5.452 24.351 ( -3.366 0.000 5.980) 6.862 25.640 ( -13.203 0.000 5.443) 14.280 25.793 ( 2.822 -0.000 -11.692) 12.027 25.928 ( 0.904 -0.000 7.092) 7.149 26.070 ( -4.056 0.000 -3.644) 5.453 ======================= Grid point 237 (127/128) ======================= q-point: (-0.14 -0.29 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -16.545 7.551 17.081) 24.950 2.492 ( -15.876 -1.504 16.546) 22.980 2.712 ( 5.359 -1.761 5.164) 7.647 2.833 ( 1.497 -4.134 2.699) 5.159 3.291 ( -8.072 -8.569 4.988) 12.785 3.456 ( -9.325 1.854 -4.845) 10.671 3.543 ( -3.938 0.717 -3.754) 5.488 4.263 ( -10.442 0.206 -2.848) 10.825 4.304 ( -1.976 6.189 5.616) 8.587 4.644 ( -6.975 -12.465 3.983) 14.829 4.843 ( -5.784 8.044 -9.406) 13.661 4.930 ( -3.414 1.449 5.255) 6.432 5.004 ( -6.348 -3.571 -1.303) 7.399 5.252 ( -2.209 -3.424 0.237) 4.082 5.311 ( -8.916 -4.679 -12.795) 16.282 5.617 ( 0.840 5.216 13.481) 14.479 5.647 ( 6.864 0.209 5.728) 8.943 5.828 ( 2.387 -12.428 -9.130) 15.605 6.169 ( -8.864 -1.727 19.284) 21.294 6.257 ( -4.917 -2.215 -1.799) 5.685 6.277 ( -2.661 -4.627 -2.606) 5.940 6.389 ( 5.206 -2.508 -6.857) 8.968 6.742 ( 1.242 7.965 3.036) 8.614 6.903 ( -2.032 -2.305 -4.714) 5.627 7.186 ( -4.449 2.899 0.545) 5.338 7.747 ( -2.432 5.081 -4.085) 6.958 7.897 ( -3.448 -0.403 6.063) 6.986 8.162 ( 1.921 -3.685 -8.707) 9.648 8.260 ( -3.370 5.972 -0.956) 6.924 8.452 ( -5.098 -3.681 -8.553) 10.616 8.975 ( 6.175 8.871 7.180) 12.976 9.256 ( -5.155 0.743 -3.198) 6.112 9.492 ( 1.430 -2.397 9.058) 9.479 9.855 ( 12.449 8.191 0.282) 14.905 10.439 ( 6.555 -1.407 -2.173) 7.047 11.231 ( 0.505 1.171 1.017) 1.631 11.318 ( -4.160 0.971 4.327) 6.081 11.918 ( 2.403 4.152 -8.178) 9.481 12.040 ( 3.600 -1.417 -6.842) 7.860 12.267 ( -3.989 -4.613 -6.040) 8.583 12.747 ( 13.512 -7.218 -0.845) 15.342 13.529 ( 8.864 5.399 0.053) 10.379 13.618 ( -0.461 7.580 -2.982) 8.159 14.146 ( 2.928 -10.739 9.316) 14.515 14.366 ( 11.694 -1.961 9.046) 14.914 15.039 ( 8.384 -2.634 -4.839) 10.032 15.211 ( -10.604 5.774 -8.031) 14.502 15.246 ( -10.681 2.608 3.900) 11.666 21.047 ( -3.588 -0.218 0.622) 3.648 21.155 ( -0.879 0.290 0.668) 1.142 21.894 ( -2.040 -0.771 8.148) 8.434 22.125 ( 1.257 -0.413 -7.921) 8.031 22.743 ( -0.168 0.356 1.988) 2.026 22.892 ( 0.463 -0.235 0.527) 0.739 24.209 ( -2.392 5.400 3.600) 6.916 24.339 ( -0.568 -1.487 -4.816) 5.072 25.466 ( -13.459 0.925 10.429) 17.052 25.776 ( 2.279 1.280 -9.495) 9.848 25.911 ( 1.229 1.989 -1.532) 2.795 26.121 ( -2.368 -9.540 -0.486) 9.842 ======================= Grid point 244 (128/128) ======================= q-point: (-0.14 -0.14 0.44) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -9.952 0.000 21.160) 23.384 2.322 ( -15.441 0.000 17.871) 23.618 2.792 ( 6.383 -0.000 -3.452) 7.257 2.801 ( -5.141 0.000 9.624) 10.911 3.115 ( -0.614 0.000 -4.440) 4.483 3.365 ( -7.970 0.000 3.088) 8.548 3.436 ( -6.180 0.000 -6.473) 8.949 4.045 ( -18.381 0.000 -2.424) 18.541 4.404 ( -3.146 0.000 2.795) 4.208 4.424 ( -2.649 0.000 4.758) 5.446 4.705 ( -10.446 0.000 -19.024) 21.704 4.844 ( -5.653 0.000 5.960) 8.214 4.954 ( -10.384 0.000 4.149) 11.183 5.112 ( 0.124 -0.000 -1.180) 1.186 5.216 ( -2.015 0.000 -1.394) 2.450 5.681 ( 7.535 -0.000 -18.178) 19.678 5.743 ( -3.675 0.000 25.179) 25.446 5.850 ( 12.153 -0.000 -0.724) 12.175 6.101 ( -11.479 0.000 22.396) 25.166 6.154 ( -0.375 0.000 -12.390) 12.396 6.221 ( -5.871 0.000 11.915) 13.283 6.428 ( 8.448 -0.000 -10.884) 13.778 6.767 ( -8.527 0.000 10.317) 13.385 6.900 ( 7.646 -0.000 -14.077) 16.019 7.184 ( 1.899 -0.000 -1.236) 2.265 7.611 ( -15.742 0.000 10.313) 18.819 7.926 ( 0.729 -0.000 2.369) 2.479 8.170 ( 7.512 -0.000 -18.896) 20.334 8.267 ( -5.010 0.000 -0.682) 5.056 8.322 ( 0.853 -0.000 -5.969) 6.030 9.148 ( -4.822 0.000 -4.472) 6.577 9.184 ( 0.279 -0.000 7.296) 7.302 9.545 ( 7.294 -0.000 7.847) 10.713 10.073 ( 8.860 -0.000 -0.983) 8.914 10.563 ( 12.355 -0.000 -1.018) 12.397 11.124 ( -14.378 0.000 6.626) 15.832 11.370 ( 3.981 -0.000 4.260) 5.831 11.856 ( -5.974 0.000 -11.105) 12.610 12.103 ( 7.993 -0.000 -8.032) 11.331 12.135 ( -4.148 0.000 -7.251) 8.353 12.917 ( 16.107 -0.000 2.084) 16.241 13.619 ( 0.317 -0.000 -0.249) 0.403 13.726 ( 8.475 -0.000 -12.046) 14.728 14.178 ( 6.090 -0.000 12.807) 14.182 14.548 ( 9.660 -0.000 10.664) 14.388 14.956 ( -14.088 0.000 -8.189) 16.295 15.126 ( -10.966 0.000 2.985) 11.365 15.161 ( 2.823 -0.000 -6.320) 6.922 21.012 ( -1.751 0.000 3.140) 3.595 21.147 ( -0.908 0.000 0.033) 0.909 21.898 ( -1.535 0.000 7.904) 8.052 22.102 ( 0.568 -0.000 -6.653) 6.677 22.766 ( 1.851 -0.000 1.037) 2.122 22.892 ( -0.825 0.000 1.314) 1.552 24.261 ( -6.841 0.000 6.958) 9.758 24.269 ( 4.077 -0.000 -10.525) 11.287 25.348 ( -11.198 0.000 14.957) 18.684 25.770 ( 1.190 -0.000 -11.386) 11.448 25.937 ( -0.103 0.000 -5.989) 5.989 25.993 ( -1.267 0.000 3.638) 3.852 =================== 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 3/26460 10.0 373.611 286.449 581.057 -0.000 340.510 -0.000 3/26460 20.0 106.088 105.427 130.554 0.000 41.252 -0.000 3/26460 30.0 44.997 48.000 64.087 0.000 11.052 -0.000 3/26460 40.0 24.337 26.504 37.978 0.000 3.885 -0.000 3/26460 50.0 15.649 17.103 25.778 0.000 1.614 -0.000 3/26460 60.0 11.287 12.324 19.226 0.000 0.729 -0.000 3/26460 70.0 8.782 9.567 15.273 0.000 0.328 -0.000 3/26460 80.0 7.193 7.815 12.668 0.000 0.128 -0.000 3/26460 90.0 6.108 6.616 10.833 0.000 0.020 -0.000 3/26460 100.0 5.325 5.747 9.476 0.000 -0.041 -0.000 3/26460 110.0 4.734 5.091 8.433 0.000 -0.075 -0.000 3/26460 120.0 4.273 4.576 7.606 0.000 -0.096 -0.000 3/26460 130.0 3.903 4.163 6.934 0.000 -0.107 -0.000 3/26460 140.0 3.598 3.822 6.378 0.000 -0.113 -0.000 3/26460 150.0 3.343 3.537 5.910 0.000 -0.116 -0.000 3/26460 160.0 3.125 3.294 5.510 0.000 -0.117 -0.000 3/26460 170.0 2.937 3.085 5.164 0.000 -0.117 -0.000 3/26460 180.0 2.773 2.902 4.863 0.000 -0.116 -0.000 3/26460 190.0 2.628 2.742 4.597 0.000 -0.114 -0.000 3/26460 200.0 2.499 2.599 4.361 0.000 -0.112 -0.000 3/26460 210.0 2.383 2.472 4.149 0.000 -0.110 -0.000 3/26460 220.0 2.279 2.357 3.959 0.000 -0.108 -0.000 3/26460 230.0 2.184 2.254 3.787 0.000 -0.106 -0.000 3/26460 240.0 2.098 2.159 3.631 0.000 -0.104 -0.000 3/26460 250.0 2.018 2.073 3.487 0.000 -0.102 -0.000 3/26460 260.0 1.945 1.994 3.356 0.000 -0.100 -0.000 3/26460 270.0 1.878 1.921 3.235 0.000 -0.098 -0.000 3/26460 280.0 1.815 1.854 3.123 0.000 -0.097 -0.000 3/26460 290.0 1.757 1.791 3.019 0.000 -0.095 -0.000 3/26460 300.0 1.702 1.733 2.922 0.000 -0.093 -0.000 3/26460 310.0 1.651 1.678 2.831 0.000 -0.091 -0.000 3/26460 320.0 1.603 1.627 2.747 0.000 -0.090 -0.000 3/26460 330.0 1.558 1.580 2.667 0.000 -0.088 -0.000 3/26460 340.0 1.516 1.535 2.592 0.000 -0.087 -0.000 3/26460 350.0 1.476 1.492 2.522 0.000 -0.085 -0.000 3/26460 360.0 1.438 1.452 2.455 0.000 -0.084 -0.000 3/26460 370.0 1.402 1.415 2.392 0.000 -0.083 -0.000 3/26460 380.0 1.368 1.379 2.332 0.000 -0.081 -0.000 3/26460 390.0 1.335 1.345 2.275 0.000 -0.080 -0.000 3/26460 400.0 1.304 1.312 2.221 0.000 -0.079 -0.000 3/26460 410.0 1.275 1.282 2.170 0.000 -0.078 -0.000 3/26460 420.0 1.247 1.252 2.121 0.000 -0.076 -0.000 3/26460 430.0 1.220 1.224 2.074 0.000 -0.075 -0.000 3/26460 440.0 1.194 1.198 2.029 0.000 -0.074 -0.000 3/26460 450.0 1.169 1.172 1.987 0.000 -0.073 -0.000 3/26460 460.0 1.145 1.147 1.946 0.000 -0.072 -0.000 3/26460 470.0 1.123 1.124 1.906 0.000 -0.071 -0.000 3/26460 480.0 1.101 1.101 1.869 0.000 -0.070 -0.000 3/26460 490.0 1.080 1.080 1.832 0.000 -0.069 -0.000 3/26460 500.0 1.059 1.059 1.797 0.000 -0.068 -0.000 3/26460 510.0 1.040 1.039 1.764 0.000 -0.067 -0.000 3/26460 520.0 1.021 1.020 1.731 0.000 -0.066 -0.000 3/26460 530.0 1.003 1.001 1.700 0.000 -0.065 -0.000 3/26460 540.0 0.986 0.983 1.670 0.000 -0.064 -0.000 3/26460 550.0 0.969 0.966 1.641 0.000 -0.063 -0.000 3/26460 560.0 0.952 0.949 1.613 0.000 -0.063 -0.000 3/26460 570.0 0.937 0.933 1.586 0.000 -0.062 -0.000 3/26460 580.0 0.921 0.918 1.560 0.000 -0.061 -0.000 3/26460 590.0 0.906 0.903 1.535 0.000 -0.060 -0.000 3/26460 600.0 0.892 0.888 1.510 0.000 -0.059 -0.000 3/26460 610.0 0.878 0.874 1.486 0.000 -0.059 -0.000 3/26460 620.0 0.865 0.860 1.463 0.000 -0.058 -0.000 3/26460 630.0 0.852 0.847 1.441 0.000 -0.057 -0.000 3/26460 640.0 0.839 0.834 1.419 0.000 -0.056 -0.000 3/26460 650.0 0.827 0.822 1.398 0.000 -0.056 -0.000 3/26460 660.0 0.815 0.810 1.378 0.000 -0.055 -0.000 3/26460 670.0 0.803 0.798 1.358 0.000 -0.054 -0.000 3/26460 680.0 0.792 0.787 1.339 0.000 -0.054 -0.000 3/26460 690.0 0.781 0.775 1.320 0.000 -0.053 -0.000 3/26460 700.0 0.770 0.765 1.302 0.000 -0.052 -0.000 3/26460 710.0 0.760 0.754 1.284 0.000 -0.052 -0.000 3/26460 720.0 0.750 0.744 1.267 0.000 -0.051 -0.000 3/26460 730.0 0.740 0.734 1.250 0.000 -0.051 -0.000 3/26460 740.0 0.730 0.724 1.234 0.000 -0.050 -0.000 3/26460 750.0 0.721 0.715 1.218 0.000 -0.050 -0.000 3/26460 760.0 0.712 0.706 1.202 0.000 -0.049 -0.000 3/26460 770.0 0.703 0.697 1.187 0.000 -0.048 -0.000 3/26460 780.0 0.694 0.688 1.172 0.000 -0.048 -0.000 3/26460 790.0 0.686 0.680 1.158 0.000 -0.047 -0.000 3/26460 800.0 0.677 0.671 1.144 0.000 -0.047 -0.000 3/26460 810.0 0.669 0.663 1.130 0.000 -0.046 -0.000 3/26460 820.0 0.661 0.655 1.117 0.000 -0.046 -0.000 3/26460 830.0 0.654 0.648 1.104 0.000 -0.045 -0.000 3/26460 840.0 0.646 0.640 1.091 0.000 -0.045 -0.000 3/26460 850.0 0.639 0.633 1.078 0.000 -0.045 -0.000 3/26460 860.0 0.632 0.625 1.066 0.000 -0.044 -0.000 3/26460 870.0 0.625 0.618 1.054 0.000 -0.044 -0.000 3/26460 880.0 0.618 0.612 1.043 0.000 -0.043 -0.000 3/26460 890.0 0.611 0.605 1.031 0.000 -0.043 -0.000 3/26460 900.0 0.604 0.598 1.020 0.000 -0.042 -0.000 3/26460 910.0 0.598 0.592 1.009 0.000 -0.042 -0.000 3/26460 920.0 0.592 0.585 0.998 0.000 -0.042 -0.000 3/26460 930.0 0.585 0.579 0.988 0.000 -0.041 -0.000 3/26460 940.0 0.579 0.573 0.978 0.000 -0.041 -0.000 3/26460 950.0 0.573 0.567 0.968 0.000 -0.040 -0.000 3/26460 960.0 0.568 0.561 0.958 0.000 -0.040 -0.000 3/26460 970.0 0.562 0.556 0.948 0.000 -0.040 -0.000 3/26460 980.0 0.556 0.550 0.939 0.000 -0.039 -0.000 3/26460 990.0 0.551 0.545 0.929 0.000 -0.039 -0.000 3/26460 1000.0 0.545 0.539 0.920 0.000 -0.039 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:43:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|