----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447739420008960 0.000000000000000 0.000000000000000 b 0.000000000000000 5.943874130000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): *1 O 0.27378703991546 0.28298298083865 0.43307958690287 15.999 2 O 0.72621296008454 0.78298298083865 0.06692041309713 15.999 3 O 0.72621296008454 0.71701701916135 0.56692041309713 15.999 4 O 0.27378703991546 0.21701701916135 0.93307958690287 15.999 *5 O 0.38718301680506 0.95373795781020 0.26642691750726 15.999 6 O 0.61281698319494 0.45373795781020 0.23357308249274 15.999 7 O 0.61281698319494 0.04626204218980 0.73357308249274 15.999 8 O 0.38718301680506 0.54626204218980 0.76642691750726 15.999 *9 O 0.14956461623174 0.67463744892227 0.94779831214670 15.999 10 O 0.85043538376826 0.17463744892227 0.55220168785330 15.999 11 O 0.85043538376826 0.32536255107773 0.05220168785330 15.999 12 O 0.14956461623174 0.82536255107773 0.44779831214670 15.999 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *15 Nd 0.22243907754043 0.92231187874996 0.74689131181277 144.242 16 Nd 0.77756092245957 0.42231187874996 0.75310868818723 144.242 17 Nd 0.22243907754043 0.57768812125004 0.24689131181277 144.242 18 Nd 0.77756092245957 0.07768812125004 0.25310868818723 144.242 *19 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 20 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.447739420008960 0.000000000000000 0.000000000000000 b 0.000000000000000 5.943874130000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): *1 O 0.27378703991546 0.28298298083865 0.43307958690287 15.999 > 1 2 O 0.72621296008454 0.78298298083865 0.06692041309713 15.999 > 2 3 O 0.72621296008454 0.71701701916135 0.56692041309713 15.999 > 3 4 O 0.27378703991546 0.21701701916135 0.93307958690287 15.999 > 4 *5 O 0.38718301680506 0.95373795781020 0.26642691750726 15.999 > 5 6 O 0.61281698319494 0.45373795781020 0.23357308249274 15.999 > 6 7 O 0.61281698319494 0.04626204218980 0.73357308249274 15.999 > 7 8 O 0.38718301680506 0.54626204218980 0.76642691750726 15.999 > 8 *9 O 0.14956461623174 0.67463744892227 0.94779831214670 15.999 > 9 10 O 0.85043538376826 0.17463744892227 0.55220168785330 15.999 > 10 11 O 0.85043538376826 0.32536255107773 0.05220168785330 15.999 > 11 12 O 0.14956461623174 0.82536255107773 0.44779831214670 15.999 > 12 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 *15 Nd 0.22243907754043 0.92231187874996 0.74689131181277 144.242 > 15 16 Nd 0.77756092245957 0.42231187874996 0.75310868818723 144.242 > 16 17 Nd 0.22243907754043 0.57768812125004 0.24689131181277 144.242 > 17 18 Nd 0.77756092245957 0.07768812125004 0.25310868818723 144.242 > 18 *19 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 19 20 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.895478840017921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887748260000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): *1 O 0.13689351995773 0.14149149041933 0.43307958690287 15.999 > 1 2 O 0.63689351995773 0.14149149041933 0.43307958690287 15.999 > 1 3 O 0.13689351995773 0.64149149041933 0.43307958690287 15.999 > 1 4 O 0.63689351995773 0.64149149041933 0.43307958690287 15.999 > 1 5 O 0.36310648004227 0.39149149041933 0.06692041309713 15.999 > 2 6 O 0.86310648004227 0.39149149041933 0.06692041309713 15.999 > 2 7 O 0.36310648004227 0.89149149041933 0.06692041309713 15.999 > 2 8 O 0.86310648004227 0.89149149041933 0.06692041309713 15.999 > 2 9 O 0.36310648004227 0.35850850958067 0.56692041309713 15.999 > 3 10 O 0.86310648004227 0.35850850958067 0.56692041309713 15.999 > 3 11 O 0.36310648004227 0.85850850958067 0.56692041309713 15.999 > 3 12 O 0.86310648004227 0.85850850958067 0.56692041309713 15.999 > 3 13 O 0.13689351995773 0.10850850958067 0.93307958690287 15.999 > 4 14 O 0.63689351995773 0.10850850958067 0.93307958690287 15.999 > 4 15 O 0.13689351995773 0.60850850958067 0.93307958690287 15.999 > 4 16 O 0.63689351995773 0.60850850958067 0.93307958690287 15.999 > 4 *17 O 0.19359150840253 0.47686897890510 0.26642691750726 15.999 > 5 18 O 0.69359150840253 0.47686897890510 0.26642691750726 15.999 > 5 19 O 0.19359150840253 0.97686897890510 0.26642691750726 15.999 > 5 20 O 0.69359150840253 0.97686897890510 0.26642691750726 15.999 > 5 21 O 0.30640849159747 0.22686897890510 0.23357308249274 15.999 > 6 22 O 0.80640849159747 0.22686897890510 0.23357308249274 15.999 > 6 23 O 0.30640849159747 0.72686897890510 0.23357308249274 15.999 > 6 24 O 0.80640849159747 0.72686897890510 0.23357308249274 15.999 > 6 25 O 0.30640849159747 0.02313102109490 0.73357308249274 15.999 > 7 26 O 0.80640849159747 0.02313102109490 0.73357308249274 15.999 > 7 27 O 0.30640849159747 0.52313102109490 0.73357308249274 15.999 > 7 28 O 0.80640849159747 0.52313102109490 0.73357308249274 15.999 > 7 29 O 0.19359150840253 0.27313102109490 0.76642691750726 15.999 > 8 30 O 0.69359150840253 0.27313102109490 0.76642691750726 15.999 > 8 31 O 0.19359150840253 0.77313102109490 0.76642691750726 15.999 > 8 32 O 0.69359150840253 0.77313102109490 0.76642691750726 15.999 > 8 *33 O 0.07478230811587 0.33731872446114 0.94779831214670 15.999 > 9 34 O 0.57478230811587 0.33731872446114 0.94779831214670 15.999 > 9 35 O 0.07478230811587 0.83731872446114 0.94779831214670 15.999 > 9 36 O 0.57478230811587 0.83731872446114 0.94779831214670 15.999 > 9 37 O 0.42521769188413 0.08731872446114 0.55220168785330 15.999 > 10 38 O 0.92521769188413 0.08731872446114 0.55220168785330 15.999 > 10 39 O 0.42521769188413 0.58731872446114 0.55220168785330 15.999 > 10 40 O 0.92521769188413 0.58731872446114 0.55220168785330 15.999 > 10 41 O 0.42521769188413 0.16268127553886 0.05220168785330 15.999 > 11 42 O 0.92521769188413 0.16268127553886 0.05220168785330 15.999 > 11 43 O 0.42521769188413 0.66268127553886 0.05220168785330 15.999 > 11 44 O 0.92521769188413 0.66268127553886 0.05220168785330 15.999 > 11 45 O 0.07478230811587 0.41268127553886 0.44779831214670 15.999 > 12 46 O 0.57478230811587 0.41268127553886 0.44779831214670 15.999 > 12 47 O 0.07478230811587 0.91268127553886 0.44779831214670 15.999 > 12 48 O 0.57478230811587 0.91268127553886 0.44779831214670 15.999 > 12 *49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 13 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 13 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 13 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 13 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 14 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 14 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 14 *57 Nd 0.11121953877021 0.46115593937498 0.74689131181277 144.242 > 15 58 Nd 0.61121953877021 0.46115593937498 0.74689131181277 144.242 > 15 59 Nd 0.11121953877021 0.96115593937498 0.74689131181277 144.242 > 15 60 Nd 0.61121953877021 0.96115593937498 0.74689131181277 144.242 > 15 61 Nd 0.38878046122978 0.21115593937498 0.75310868818723 144.242 > 16 62 Nd 0.88878046122978 0.21115593937498 0.75310868818723 144.242 > 16 63 Nd 0.38878046122978 0.71115593937498 0.75310868818723 144.242 > 16 64 Nd 0.88878046122978 0.71115593937498 0.75310868818723 144.242 > 16 65 Nd 0.11121953877021 0.28884406062502 0.24689131181277 144.242 > 17 66 Nd 0.61121953877021 0.28884406062502 0.24689131181277 144.242 > 17 67 Nd 0.11121953877021 0.78884406062502 0.24689131181277 144.242 > 17 68 Nd 0.61121953877021 0.78884406062502 0.24689131181277 144.242 > 17 69 Nd 0.38878046122978 0.03884406062502 0.25310868818723 144.242 > 18 70 Nd 0.88878046122978 0.03884406062502 0.25310868818723 144.242 > 18 71 Nd 0.38878046122978 0.53884406062502 0.25310868818723 144.242 > 18 72 Nd 0.88878046122978 0.53884406062502 0.25310868818723 144.242 > 18 *73 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 19 74 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 19 75 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 19 76 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 19 77 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 20 78 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 20 79 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 20 80 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 225.2579690 0.0000000 200.4529715 0.0000000 4887.3936476 0.0000000 200.4543634 0.0000000 840.9995027 -------------------------- Born effective charges -------------------------- 1 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 2 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 3 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 4 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 5 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 6 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 7 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 8 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 9 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 10 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 11 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 12 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 13 Na 1.1316035 -0.0618001 -0.1323690 0.9918462 2.8818837 -1.1338915 0.3159236 -0.0779107 1.0464077 14 Na 1.1316035 0.0618001 -0.1323690 -0.9918462 2.8818837 1.1338915 0.3159236 0.0779107 1.0464077 15 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 16 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 17 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 18 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 19 Os 7.1755495 2.3888695 1.9596029 15.6658848 -2.8648567 8.0295295 6.6559333 4.6087489 10.3094804 20 Os 7.1755495 -2.3888695 1.9596029 -15.6658848 -2.8648567 -8.0295295 6.6559333 -4.6087489 10.3094804 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.224 Solver_block: 200 / 640 - Time: 2.212 Solver_block: 300 / 640 - Time: 2.210 Solver_block: 400 / 640 - Time: 2.207 Solver_block: 500 / 640 - Time: 2.210 Solver_block: 600 / 640 - Time: 2.214 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.270 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:08:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447739420008960 0.000000000000000 0.000000000000000 b 0.000000000000000 5.943874130000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): 1 O 0.27378703991546 0.28298298083865 0.43307958690287 15.999 2 O 0.72621296008454 0.78298298083865 0.06692041309713 15.999 3 O 0.72621296008454 0.71701701916135 0.56692041309713 15.999 4 O 0.27378703991546 0.21701701916135 0.93307958690287 15.999 5 O 0.38718301680506 0.95373795781020 0.26642691750726 15.999 6 O 0.61281698319494 0.45373795781020 0.23357308249274 15.999 7 O 0.61281698319494 0.04626204218980 0.73357308249274 15.999 8 O 0.38718301680506 0.54626204218980 0.76642691750726 15.999 9 O 0.14956461623174 0.67463744892227 0.94779831214670 15.999 10 O 0.85043538376826 0.17463744892227 0.55220168785330 15.999 11 O 0.85043538376826 0.32536255107773 0.05220168785330 15.999 12 O 0.14956461623174 0.82536255107773 0.44779831214670 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 Nd 0.22243907754043 0.92231187874996 0.74689131181277 144.242 16 Nd 0.77756092245957 0.42231187874996 0.75310868818723 144.242 17 Nd 0.22243907754043 0.57768812125004 0.24689131181277 144.242 18 Nd 0.77756092245957 0.07768812125004 0.25310868818723 144.242 19 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 20 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.895478840017921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887748260000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): 1 O 0.13689351995773 0.14149149041933 0.43307958690287 15.999 > 1 2 O 0.63689351995773 0.14149149041933 0.43307958690287 15.999 > 1 3 O 0.13689351995773 0.64149149041933 0.43307958690287 15.999 > 1 4 O 0.63689351995773 0.64149149041933 0.43307958690287 15.999 > 1 5 O 0.36310648004227 0.39149149041933 0.06692041309713 15.999 > 5 6 O 0.86310648004227 0.39149149041933 0.06692041309713 15.999 > 5 7 O 0.36310648004227 0.89149149041933 0.06692041309713 15.999 > 5 8 O 0.86310648004227 0.89149149041933 0.06692041309713 15.999 > 5 9 O 0.36310648004227 0.35850850958067 0.56692041309713 15.999 > 9 10 O 0.86310648004227 0.35850850958067 0.56692041309713 15.999 > 9 11 O 0.36310648004227 0.85850850958067 0.56692041309713 15.999 > 9 12 O 0.86310648004227 0.85850850958067 0.56692041309713 15.999 > 9 13 O 0.13689351995773 0.10850850958067 0.93307958690287 15.999 > 13 14 O 0.63689351995773 0.10850850958067 0.93307958690287 15.999 > 13 15 O 0.13689351995773 0.60850850958067 0.93307958690287 15.999 > 13 16 O 0.63689351995773 0.60850850958067 0.93307958690287 15.999 > 13 17 O 0.19359150840253 0.47686897890510 0.26642691750726 15.999 > 17 18 O 0.69359150840253 0.47686897890510 0.26642691750726 15.999 > 17 19 O 0.19359150840253 0.97686897890510 0.26642691750726 15.999 > 17 20 O 0.69359150840253 0.97686897890510 0.26642691750726 15.999 > 17 21 O 0.30640849159747 0.22686897890510 0.23357308249274 15.999 > 21 22 O 0.80640849159747 0.22686897890510 0.23357308249274 15.999 > 21 23 O 0.30640849159747 0.72686897890510 0.23357308249274 15.999 > 21 24 O 0.80640849159747 0.72686897890510 0.23357308249274 15.999 > 21 25 O 0.30640849159747 0.02313102109490 0.73357308249274 15.999 > 25 26 O 0.80640849159747 0.02313102109490 0.73357308249274 15.999 > 25 27 O 0.30640849159747 0.52313102109490 0.73357308249274 15.999 > 25 28 O 0.80640849159747 0.52313102109490 0.73357308249274 15.999 > 25 29 O 0.19359150840253 0.27313102109490 0.76642691750726 15.999 > 29 30 O 0.69359150840253 0.27313102109490 0.76642691750726 15.999 > 29 31 O 0.19359150840253 0.77313102109490 0.76642691750726 15.999 > 29 32 O 0.69359150840253 0.77313102109490 0.76642691750726 15.999 > 29 33 O 0.07478230811587 0.33731872446114 0.94779831214670 15.999 > 33 34 O 0.57478230811587 0.33731872446114 0.94779831214670 15.999 > 33 35 O 0.07478230811587 0.83731872446114 0.94779831214670 15.999 > 33 36 O 0.57478230811587 0.83731872446114 0.94779831214670 15.999 > 33 37 O 0.42521769188413 0.08731872446114 0.55220168785330 15.999 > 37 38 O 0.92521769188413 0.08731872446114 0.55220168785330 15.999 > 37 39 O 0.42521769188413 0.58731872446114 0.55220168785330 15.999 > 37 40 O 0.92521769188413 0.58731872446114 0.55220168785330 15.999 > 37 41 O 0.42521769188413 0.16268127553886 0.05220168785330 15.999 > 41 42 O 0.92521769188413 0.16268127553886 0.05220168785330 15.999 > 41 43 O 0.42521769188413 0.66268127553886 0.05220168785330 15.999 > 41 44 O 0.92521769188413 0.66268127553886 0.05220168785330 15.999 > 41 45 O 0.07478230811587 0.41268127553886 0.44779831214670 15.999 > 45 46 O 0.57478230811587 0.41268127553886 0.44779831214670 15.999 > 45 47 O 0.07478230811587 0.91268127553886 0.44779831214670 15.999 > 45 48 O 0.57478230811587 0.91268127553886 0.44779831214670 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 Nd 0.11121953877021 0.46115593937498 0.74689131181277 144.242 > 57 58 Nd 0.61121953877021 0.46115593937498 0.74689131181277 144.242 > 57 59 Nd 0.11121953877021 0.96115593937498 0.74689131181277 144.242 > 57 60 Nd 0.61121953877021 0.96115593937498 0.74689131181277 144.242 > 57 61 Nd 0.38878046122978 0.21115593937498 0.75310868818723 144.242 > 61 62 Nd 0.88878046122978 0.21115593937498 0.75310868818723 144.242 > 61 63 Nd 0.38878046122978 0.71115593937498 0.75310868818723 144.242 > 61 64 Nd 0.88878046122978 0.71115593937498 0.75310868818723 144.242 > 61 65 Nd 0.11121953877021 0.28884406062502 0.24689131181277 144.242 > 65 66 Nd 0.61121953877021 0.28884406062502 0.24689131181277 144.242 > 65 67 Nd 0.11121953877021 0.78884406062502 0.24689131181277 144.242 > 65 68 Nd 0.61121953877021 0.78884406062502 0.24689131181277 144.242 > 65 69 Nd 0.38878046122978 0.03884406062502 0.25310868818723 144.242 > 69 70 Nd 0.88878046122978 0.03884406062502 0.25310868818723 144.242 > 69 71 Nd 0.38878046122978 0.53884406062502 0.25310868818723 144.242 > 69 72 Nd 0.88878046122978 0.53884406062502 0.25310868818723 144.242 > 69 73 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 73 74 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 73 75 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 73 76 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 73 77 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 77 78 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 77 79 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 77 80 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 225.2579690 0.0000000 200.4529715 0.0000000 4887.3936476 0.0000000 200.4543634 0.0000000 840.9995027 -------------------------- Born effective charges -------------------------- 1 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 2 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 3 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 4 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 5 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 6 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 7 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 8 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 9 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 10 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 11 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 12 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 13 Na 1.1316035 -0.0618001 -0.1323690 0.9918462 2.8818837 -1.1338915 0.3159236 -0.0779107 1.0464077 14 Na 1.1316035 0.0618001 -0.1323690 -0.9918462 2.8818837 1.1338915 0.3159236 0.0779107 1.0464077 15 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 16 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 17 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 18 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 19 Os 7.1755495 2.3888695 1.9596029 15.6658848 -2.8648567 8.0295295 6.6559333 4.6087489 10.3094804 20 Os 7.1755495 -2.3888695 1.9596029 -15.6658848 -2.8648567 -8.0295295 6.6559333 -4.6087489 10.3094804 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000067 (yx) 0.00000067 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:08:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:08:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447739420008960 0.000000000000000 0.000000000000000 b 0.000000000000000 5.943874130000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): 1 O 0.27378703991546 0.28298298083865 0.43307958690287 15.999 2 O 0.72621296008454 0.78298298083865 0.06692041309713 15.999 3 O 0.72621296008454 0.71701701916135 0.56692041309713 15.999 4 O 0.27378703991546 0.21701701916135 0.93307958690287 15.999 5 O 0.38718301680506 0.95373795781020 0.26642691750726 15.999 6 O 0.61281698319494 0.45373795781020 0.23357308249274 15.999 7 O 0.61281698319494 0.04626204218980 0.73357308249274 15.999 8 O 0.38718301680506 0.54626204218980 0.76642691750726 15.999 9 O 0.14956461623174 0.67463744892227 0.94779831214670 15.999 10 O 0.85043538376826 0.17463744892227 0.55220168785330 15.999 11 O 0.85043538376826 0.32536255107773 0.05220168785330 15.999 12 O 0.14956461623174 0.82536255107773 0.44779831214670 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 Nd 0.22243907754043 0.92231187874996 0.74689131181277 144.242 16 Nd 0.77756092245957 0.42231187874996 0.75310868818723 144.242 17 Nd 0.22243907754043 0.57768812125004 0.24689131181277 144.242 18 Nd 0.77756092245957 0.07768812125004 0.25310868818723 144.242 19 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 20 Os 0.50000000000000 0.00000000000000 0.50000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.895478840017921 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887748260000000 0.000000000000000 c -5.294970126320308 0.000000000000000 7.877338347074781 Atomic positions (fractional): 1 O 0.13689351995773 0.14149149041933 0.43307958690287 15.999 > 1 2 O 0.63689351995773 0.14149149041933 0.43307958690287 15.999 > 1 3 O 0.13689351995773 0.64149149041933 0.43307958690287 15.999 > 1 4 O 0.63689351995773 0.64149149041933 0.43307958690287 15.999 > 1 5 O 0.36310648004227 0.39149149041933 0.06692041309713 15.999 > 5 6 O 0.86310648004227 0.39149149041933 0.06692041309713 15.999 > 5 7 O 0.36310648004227 0.89149149041933 0.06692041309713 15.999 > 5 8 O 0.86310648004227 0.89149149041933 0.06692041309713 15.999 > 5 9 O 0.36310648004227 0.35850850958067 0.56692041309713 15.999 > 9 10 O 0.86310648004227 0.35850850958067 0.56692041309713 15.999 > 9 11 O 0.36310648004227 0.85850850958067 0.56692041309713 15.999 > 9 12 O 0.86310648004227 0.85850850958067 0.56692041309713 15.999 > 9 13 O 0.13689351995773 0.10850850958067 0.93307958690287 15.999 > 13 14 O 0.63689351995773 0.10850850958067 0.93307958690287 15.999 > 13 15 O 0.13689351995773 0.60850850958067 0.93307958690287 15.999 > 13 16 O 0.63689351995773 0.60850850958067 0.93307958690287 15.999 > 13 17 O 0.19359150840253 0.47686897890510 0.26642691750726 15.999 > 17 18 O 0.69359150840253 0.47686897890510 0.26642691750726 15.999 > 17 19 O 0.19359150840253 0.97686897890510 0.26642691750726 15.999 > 17 20 O 0.69359150840253 0.97686897890510 0.26642691750726 15.999 > 17 21 O 0.30640849159747 0.22686897890510 0.23357308249274 15.999 > 21 22 O 0.80640849159747 0.22686897890510 0.23357308249274 15.999 > 21 23 O 0.30640849159747 0.72686897890510 0.23357308249274 15.999 > 21 24 O 0.80640849159747 0.72686897890510 0.23357308249274 15.999 > 21 25 O 0.30640849159747 0.02313102109490 0.73357308249274 15.999 > 25 26 O 0.80640849159747 0.02313102109490 0.73357308249274 15.999 > 25 27 O 0.30640849159747 0.52313102109490 0.73357308249274 15.999 > 25 28 O 0.80640849159747 0.52313102109490 0.73357308249274 15.999 > 25 29 O 0.19359150840253 0.27313102109490 0.76642691750726 15.999 > 29 30 O 0.69359150840253 0.27313102109490 0.76642691750726 15.999 > 29 31 O 0.19359150840253 0.77313102109490 0.76642691750726 15.999 > 29 32 O 0.69359150840253 0.77313102109490 0.76642691750726 15.999 > 29 33 O 0.07478230811587 0.33731872446114 0.94779831214670 15.999 > 33 34 O 0.57478230811587 0.33731872446114 0.94779831214670 15.999 > 33 35 O 0.07478230811587 0.83731872446114 0.94779831214670 15.999 > 33 36 O 0.57478230811587 0.83731872446114 0.94779831214670 15.999 > 33 37 O 0.42521769188413 0.08731872446114 0.55220168785330 15.999 > 37 38 O 0.92521769188413 0.08731872446114 0.55220168785330 15.999 > 37 39 O 0.42521769188413 0.58731872446114 0.55220168785330 15.999 > 37 40 O 0.92521769188413 0.58731872446114 0.55220168785330 15.999 > 37 41 O 0.42521769188413 0.16268127553886 0.05220168785330 15.999 > 41 42 O 0.92521769188413 0.16268127553886 0.05220168785330 15.999 > 41 43 O 0.42521769188413 0.66268127553886 0.05220168785330 15.999 > 41 44 O 0.92521769188413 0.66268127553886 0.05220168785330 15.999 > 41 45 O 0.07478230811587 0.41268127553886 0.44779831214670 15.999 > 45 46 O 0.57478230811587 0.41268127553886 0.44779831214670 15.999 > 45 47 O 0.07478230811587 0.91268127553886 0.44779831214670 15.999 > 45 48 O 0.57478230811587 0.91268127553886 0.44779831214670 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 Nd 0.11121953877021 0.46115593937498 0.74689131181277 144.242 > 57 58 Nd 0.61121953877021 0.46115593937498 0.74689131181277 144.242 > 57 59 Nd 0.11121953877021 0.96115593937498 0.74689131181277 144.242 > 57 60 Nd 0.61121953877021 0.96115593937498 0.74689131181277 144.242 > 57 61 Nd 0.38878046122978 0.21115593937498 0.75310868818723 144.242 > 61 62 Nd 0.88878046122978 0.21115593937498 0.75310868818723 144.242 > 61 63 Nd 0.38878046122978 0.71115593937498 0.75310868818723 144.242 > 61 64 Nd 0.88878046122978 0.71115593937498 0.75310868818723 144.242 > 61 65 Nd 0.11121953877021 0.28884406062502 0.24689131181277 144.242 > 65 66 Nd 0.61121953877021 0.28884406062502 0.24689131181277 144.242 > 65 67 Nd 0.11121953877021 0.78884406062502 0.24689131181277 144.242 > 65 68 Nd 0.61121953877021 0.78884406062502 0.24689131181277 144.242 > 65 69 Nd 0.38878046122978 0.03884406062502 0.25310868818723 144.242 > 69 70 Nd 0.88878046122978 0.03884406062502 0.25310868818723 144.242 > 69 71 Nd 0.38878046122978 0.53884406062502 0.25310868818723 144.242 > 69 72 Nd 0.88878046122978 0.53884406062502 0.25310868818723 144.242 > 69 73 Os 0.25000000000000 0.25000000000000 0.00000000000000 190.230 > 73 74 Os 0.75000000000000 0.25000000000000 0.00000000000000 190.230 > 73 75 Os 0.25000000000000 0.75000000000000 0.00000000000000 190.230 > 73 76 Os 0.75000000000000 0.75000000000000 0.00000000000000 190.230 > 73 77 Os 0.25000000000000 0.00000000000000 0.50000000000000 190.230 > 77 78 Os 0.75000000000000 0.00000000000000 0.50000000000000 190.230 > 77 79 Os 0.25000000000000 0.50000000000000 0.50000000000000 190.230 > 77 80 Os 0.75000000000000 0.50000000000000 0.50000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 225.2579690 0.0000000 200.4529715 0.0000000 4887.3936476 0.0000000 200.4543634 0.0000000 840.9995027 -------------------------- Born effective charges -------------------------- 1 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 2 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 3 O -1.1428011 1.2611137 0.1065771 4.5627774 -5.8428242 0.7501590 -1.8183542 0.3766348 -0.3952371 4 O -1.1428011 -1.2611137 0.1065771 -4.5627774 -5.8428242 -0.7501590 -1.8183542 -0.3766348 -0.3952371 5 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 6 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 7 O -4.2583795 -0.9903312 1.6518248 -3.8624270 16.0572607 3.1323693 -3.2259594 -0.9203060 -2.5665613 8 O -4.2583795 0.9903312 1.6518248 3.8624270 16.0572607 -3.1323693 -3.2259594 0.9203060 -2.5665613 9 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 10 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 11 O -2.7416398 -0.7392637 -1.9854621 -6.3627848 -15.0908506 3.8953423 -0.7328477 -1.8701169 -4.3935463 12 O -2.7416398 0.7392637 -1.9854621 6.3627848 -15.0908506 -3.8953423 -0.7328477 1.8701169 -4.3935463 13 Na 1.1316035 -0.0618001 -0.1323690 0.9918462 2.8818837 -1.1338915 0.3159236 -0.0779107 1.0464077 14 Na 1.1316035 0.0618001 -0.1323690 -0.9918462 2.8818837 1.1338915 0.3159236 0.0779107 1.0464077 15 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 16 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 17 Nd 3.9892439 -0.4206257 -0.6865567 -3.1291630 4.8679006 4.2422173 2.2912329 1.4687512 1.6774007 18 Nd 3.9892439 0.4206257 -0.6865567 3.1291630 4.8679006 -4.2422173 2.2912329 -1.4687512 1.6774007 19 Os 7.1755495 2.3888695 1.9596029 15.6658848 -2.8648567 8.0295295 6.6559333 4.6087489 10.3094804 20 Os 7.1755495 -2.3888695 1.9596029 -15.6658848 -2.8648567 -8.0295295 6.6559333 -4.6087489 10.3094804 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 8 6 ] 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: 0.65, Number of G-points: 299, Lambda: 3.04 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.307 ( 0.000 0.000 0.000) 0.000 8.374 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.253 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.529 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 11.657 ( 0.000 0.000 0.000) 0.000 12.165 ( 0.000 0.000 0.000) 0.000 12.300 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.956 ( 0.000 0.000 0.000) 0.000 16.329 ( 0.000 0.000 0.000) 0.000 16.497 ( 0.000 0.000 0.000) 0.000 16.509 ( 0.000 0.000 0.000) 0.000 16.816 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.194 ( 0.000 0.000 0.000) 0.000 17.370 ( 0.000 0.000 0.000) 0.000 18.077 ( 0.000 0.000 0.000) 0.000 20.596 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 19.317 0.000 13.137) 23.361 0.476 ( 24.093 0.000 5.794) 24.779 0.926 ( 36.224 0.000 25.567) 44.338 2.137 ( 10.518 0.000 8.064) 13.254 2.535 ( -4.857 0.000 -4.529) 6.641 2.692 ( -9.169 0.000 2.870) 9.607 2.800 ( -1.819 0.000 -11.706) 11.846 2.823 ( 0.485 0.000 -1.856) 1.918 3.129 ( 1.494 0.000 4.959) 5.179 3.417 ( -10.090 0.000 -3.052) 10.541 3.576 ( -1.948 0.000 -0.961) 2.173 3.819 ( -1.131 0.000 7.764) 7.846 3.971 ( 0.088 0.000 1.562) 1.564 4.097 ( 3.754 0.000 -2.376) 4.443 4.119 ( -2.874 0.000 -1.803) 3.392 4.350 ( 0.299 0.000 1.701) 1.727 4.354 ( -3.171 0.000 -3.340) 4.606 4.975 ( 0.786 0.000 -0.532) 0.950 6.012 ( -17.069 0.000 -0.123) 17.069 6.610 ( -11.937 0.000 -6.132) 13.420 6.690 ( 3.244 0.000 -3.975) 5.131 7.005 ( -6.228 0.000 0.369) 6.239 7.160 ( -5.259 0.000 3.296) 6.206 7.164 ( -4.141 0.000 -11.683) 12.395 7.489 ( 6.991 0.000 1.971) 7.264 7.767 ( -8.222 0.000 1.521) 8.362 7.953 ( 12.410 0.000 -3.079) 12.787 8.098 ( -2.007 0.000 -1.293) 2.388 8.195 ( 9.225 0.000 -9.490) 13.235 8.398 ( 2.906 0.000 6.032) 6.696 8.510 ( 10.483 0.000 10.488) 14.829 8.856 ( 7.523 0.000 21.265) 22.556 8.979 ( 3.633 0.000 4.828) 6.042 9.158 ( 2.020 0.000 2.517) 3.227 9.544 ( -10.893 0.000 -8.284) 13.685 10.140 ( -1.085 0.000 -3.820) 3.971 10.277 ( -1.060 0.000 -1.715) 2.017 10.371 ( 8.114 0.000 -10.953) 13.631 10.406 ( 6.620 0.000 5.210) 8.424 10.481 ( -4.328 0.000 1.387) 4.545 11.626 ( -2.809 0.000 1.986) 3.440 11.820 ( 4.851 0.000 0.852) 4.925 12.192 ( 0.699 0.000 3.368) 3.439 12.226 ( -5.021 0.000 -5.289) 7.292 12.572 ( -2.846 0.000 0.715) 2.934 12.834 ( -1.953 0.000 -3.751) 4.229 13.457 ( 0.699 0.000 -1.603) 1.748 14.032 ( -10.965 0.000 2.897) 11.341 14.447 ( 15.377 0.000 -4.134) 15.923 15.566 ( 5.118 0.000 4.683) 6.938 15.903 ( -3.310 0.000 -4.027) 5.213 16.368 ( 2.201 0.000 2.978) 3.703 16.472 ( -1.188 0.000 -0.972) 1.534 16.514 ( -0.983 0.000 0.962) 1.376 16.815 ( -0.792 0.000 -0.028) 0.792 17.043 ( -4.797 0.000 -10.845) 11.859 17.191 ( 0.211 0.000 -0.727) 0.757 17.432 ( 15.269 0.000 -11.831) 19.316 18.197 ( -3.417 0.000 23.650) 23.896 20.507 ( -6.706 0.000 -5.659) 8.775 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 22.033 0.000 3.877) 22.372 0.941 ( 19.754 0.000 13.329) 23.830 1.731 ( 28.811 0.000 17.383) 33.649 2.337 ( -12.989 0.000 -3.069) 13.346 2.443 ( 11.334 0.000 4.647) 12.250 2.584 ( -5.211 0.000 7.266) 8.941 2.607 ( -4.215 0.000 -13.611) 14.249 2.792 ( -2.253 0.000 -1.623) 2.777 3.072 ( -11.462 0.000 -6.557) 13.205 3.246 ( -3.739 0.000 1.771) 4.138 3.548 ( -1.531 0.000 1.292) 2.004 3.896 ( -1.678 0.000 7.955) 8.130 3.958 ( -4.232 0.000 -3.875) 5.739 4.033 ( -2.397 0.000 3.826) 4.515 4.148 ( 5.305 0.000 -2.201) 5.743 4.226 ( -5.424 0.000 -4.851) 7.277 4.426 ( 3.538 0.000 5.490) 6.531 4.991 ( 1.820 0.000 -0.147) 1.826 5.706 ( -18.400 0.000 1.225) 18.441 6.265 ( -19.550 0.000 -5.440) 20.293 6.681 ( 4.385 0.000 -10.883) 11.733 6.848 ( -5.507 0.000 -7.740) 9.499 6.950 ( -6.638 0.000 -7.832) 10.267 7.197 ( -4.054 0.000 14.790) 15.336 7.583 ( 1.562 0.000 0.152) 1.569 7.648 ( -4.664 0.000 -1.591) 4.928 8.071 ( 1.283 0.000 -0.586) 1.410 8.175 ( 12.476 0.000 -6.173) 13.919 8.247 ( 9.457 0.000 -0.759) 9.487 8.481 ( -0.410 0.000 5.063) 5.079 8.900 ( 15.906 0.000 13.823) 21.073 9.067 ( 1.003 0.000 6.884) 6.956 9.096 ( -12.233 0.000 -3.470) 12.715 9.239 ( 5.818 0.000 16.769) 17.750 9.402 ( 4.987 0.000 -0.228) 4.992 10.060 ( -1.082 0.000 -6.554) 6.643 10.231 ( 1.700 0.000 -4.878) 5.166 10.301 ( 3.303 0.000 -13.648) 14.042 10.504 ( 3.461 0.000 0.737) 3.539 10.586 ( 5.565 0.000 7.101) 9.022 11.649 ( 0.913 0.000 5.735) 5.807 11.913 ( 1.458 0.000 6.049) 6.223 12.031 ( -8.453 0.000 -8.618) 12.071 12.255 ( 2.388 0.000 3.155) 3.957 12.485 ( -9.462 0.000 1.242) 9.543 12.755 ( 0.903 0.000 -7.470) 7.524 13.440 ( 0.175 0.000 -3.085) 3.090 13.901 ( -8.075 0.000 2.548) 8.467 14.689 ( 17.331 0.000 -1.597) 17.405 15.704 ( 4.368 0.000 3.451) 5.567 15.771 ( -4.811 0.000 -6.553) 8.129 16.443 ( -3.875 0.000 2.570) 4.650 16.458 ( 1.554 0.000 4.725) 4.974 16.495 ( 0.802 0.000 -3.490) 3.581 16.816 ( -3.302 0.000 -15.379) 15.729 16.819 ( 0.180 0.000 3.413) 3.417 17.205 ( 2.765 0.000 0.667) 2.845 17.586 ( 17.519 0.000 -10.923) 20.645 18.430 ( -4.820 0.000 28.229) 28.638 20.255 ( -12.121 0.000 -10.509) 16.043 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 14.299 0.000 -1.425) 14.370 1.413 ( 18.221 0.000 12.797) 22.266 2.076 ( 1.290 0.000 -11.102) 11.177 2.088 ( -13.079 0.000 0.992) 13.116 2.427 ( -2.738 0.000 -3.790) 4.675 2.459 ( 4.728 0.000 -3.938) 6.153 2.711 ( -4.468 0.000 -2.204) 4.982 2.817 ( 6.473 0.000 13.374) 14.859 2.820 ( -10.931 0.000 -0.987) 10.976 3.171 ( -6.164 0.000 -2.977) 6.845 3.551 ( -0.724 0.000 2.738) 2.832 3.834 ( -8.038 0.000 -7.266) 10.836 3.899 ( 2.770 0.000 3.277) 4.291 4.094 ( 1.164 0.000 6.430) 6.534 4.153 ( 3.519 0.000 -1.499) 3.825 4.235 ( 1.227 0.000 6.818) 6.927 4.572 ( 5.169 0.000 6.877) 8.603 5.033 ( 3.014 0.000 0.237) 3.023 5.457 ( -13.530 0.000 2.256) 13.716 5.877 ( -19.663 0.000 -4.439) 20.158 6.550 ( -0.242 0.000 -17.145) 17.147 6.690 ( -3.888 0.000 -6.260) 7.370 6.831 ( -3.452 0.000 1.193) 3.652 7.293 ( -5.288 0.000 13.799) 14.778 7.530 ( -5.730 0.000 -1.925) 6.045 7.593 ( 0.629 0.000 -1.008) 1.188 8.148 ( 6.962 0.000 0.995) 7.032 8.217 ( 5.857 0.000 -6.582) 8.811 8.475 ( 11.112 0.000 2.926) 11.491 8.497 ( -3.815 0.000 3.672) 5.295 8.777 ( -12.317 0.000 -7.219) 14.277 9.105 ( -3.722 0.000 2.322) 4.387 9.336 ( 12.811 0.000 13.384) 18.527 9.375 ( -3.323 0.000 5.402) 6.342 9.542 ( 8.282 0.000 1.239) 8.374 10.000 ( 1.805 0.000 -4.504) 4.852 10.234 ( 3.162 0.000 -8.074) 8.671 10.276 ( 8.983 0.000 -1.030) 9.042 10.570 ( 5.101 0.000 -1.968) 5.467 10.740 ( 4.079 0.000 5.942) 7.207 11.770 ( 3.038 0.000 7.833) 8.402 11.771 ( -9.704 0.000 -9.734) 13.744 12.001 ( -1.013 0.000 8.658) 8.717 12.291 ( -13.301 0.000 -0.663) 13.318 12.354 ( 6.566 0.000 2.502) 7.027 12.704 ( 2.473 0.000 -6.959) 7.386 13.387 ( -1.257 0.000 -4.923) 5.081 13.824 ( -4.749 0.000 2.757) 5.491 14.981 ( 17.742 0.000 0.689) 17.756 15.617 ( -4.700 0.000 -5.915) 7.555 15.773 ( 1.504 0.000 0.872) 1.739 16.370 ( -3.477 0.000 -4.306) 5.534 16.461 ( -5.344 0.000 1.398) 5.524 16.489 ( 1.463 0.000 -1.480) 2.081 16.618 ( -3.125 0.000 -9.611) 10.106 16.885 ( 0.752 0.000 3.527) 3.607 17.362 ( 11.391 0.000 8.126) 13.993 17.749 ( 15.175 0.000 -9.374) 17.837 18.644 ( -5.133 0.000 24.101) 24.641 19.886 ( -15.213 0.000 -13.765) 20.516 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.002 0.000 -12.313) 13.290 1.704 ( -1.823 0.000 7.388) 7.610 1.897 ( 1.735 0.000 -13.799) 13.908 2.087 ( 11.495 0.000 8.562) 14.333 2.347 ( -2.186 0.000 -2.921) 3.649 2.478 ( 1.551 0.000 -4.791) 5.036 2.613 ( -4.373 0.000 -1.003) 4.487 2.654 ( -10.714 0.000 2.843) 11.085 2.982 ( -1.080 0.000 6.878) 6.963 3.026 ( -4.691 0.000 -4.156) 6.268 3.545 ( -11.159 0.000 -12.327) 16.628 3.588 ( 0.870 0.000 2.711) 2.847 4.119 ( 10.778 0.000 10.009) 14.708 4.201 ( 2.703 0.000 6.302) 6.857 4.231 ( 6.268 0.000 -1.706) 6.496 4.340 ( 0.039 0.000 9.391) 9.391 4.742 ( 5.963 0.000 6.758) 9.013 5.092 ( 3.839 0.000 -0.290) 3.850 5.304 ( -8.314 0.000 2.498) 8.681 5.522 ( -16.604 0.000 -4.415) 17.181 6.354 ( -2.528 0.000 -11.784) 12.052 6.571 ( -3.017 0.000 -4.948) 5.795 6.814 ( -1.427 0.000 1.851) 2.337 7.309 ( -5.038 0.000 5.854) 7.724 7.402 ( -5.385 0.000 -2.225) 5.826 7.649 ( 2.967 0.000 3.491) 4.581 8.250 ( 4.849 0.000 -3.453) 5.953 8.289 ( 6.975 0.000 1.809) 7.206 8.404 ( -8.980 0.000 -1.106) 9.048 8.580 ( -3.773 0.000 -2.791) 4.693 8.645 ( 5.897 0.000 1.817) 6.171 8.984 ( -9.043 0.000 -2.552) 9.396 9.358 ( -1.722 0.000 1.587) 2.342 9.580 ( 4.756 0.000 3.857) 6.123 9.700 ( 7.850 0.000 2.559) 8.256 9.982 ( 1.021 0.000 -3.959) 4.088 10.215 ( 2.484 0.000 -4.146) 4.834 10.512 ( 13.822 0.000 7.323) 15.642 10.626 ( 3.654 0.000 -1.315) 3.883 10.857 ( 4.167 0.000 2.744) 4.989 11.504 ( -9.301 0.000 -9.405) 13.228 11.884 ( 1.501 0.000 5.062) 5.280 12.054 ( -12.716 0.000 -1.468) 12.800 12.057 ( -2.415 0.000 5.974) 6.444 12.542 ( 9.769 0.000 4.932) 10.943 12.675 ( 1.663 0.000 -4.557) 4.851 13.295 ( -2.149 0.000 -5.576) 5.976 13.795 ( -2.548 0.000 2.297) 3.431 15.269 ( 14.711 0.000 0.670) 14.726 15.496 ( -3.328 0.000 -3.231) 4.638 15.804 ( 1.881 0.000 1.348) 2.314 16.267 ( -0.281 0.000 -6.825) 6.831 16.338 ( -9.054 0.000 -0.810) 9.090 16.436 ( -2.568 0.000 -6.907) 7.369 16.547 ( -0.698 0.000 2.294) 2.398 16.903 ( -0.720 0.000 0.750) 1.040 17.720 ( 14.908 0.000 12.799) 19.648 17.873 ( 10.307 0.000 -6.643) 12.262 18.791 ( -4.223 0.000 15.848) 16.401 19.466 ( -15.131 0.000 -14.386) 20.878 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -4.089 0.000 -7.509) 8.550 1.694 ( -2.922 0.000 3.329) 4.429 1.774 ( -1.760 0.000 -7.098) 7.313 2.276 ( -0.710 0.000 -1.440) 1.606 2.456 ( 11.332 0.000 4.110) 12.055 2.468 ( 2.650 0.000 -2.772) 3.835 2.558 ( -5.088 0.000 3.582) 6.222 2.587 ( 3.279 0.000 5.558) 6.454 2.915 ( -10.091 0.000 -3.046) 10.541 2.934 ( -1.739 0.000 -2.199) 2.803 3.272 ( -5.428 0.000 -6.218) 8.254 3.623 ( 0.434 0.000 1.104) 1.186 4.292 ( 2.459 0.000 1.705) 2.992 4.295 ( 2.503 0.000 -0.596) 2.573 4.362 ( 4.540 0.000 5.728) 7.310 4.425 ( 0.367 0.000 3.977) 3.994 4.914 ( 5.816 0.000 4.827) 7.558 5.149 ( 3.785 0.000 -1.202) 3.971 5.221 ( -4.834 0.000 2.003) 5.233 5.243 ( -9.968 0.000 -3.802) 10.668 6.228 ( -1.296 0.000 -4.151) 4.349 6.487 ( -1.497 0.000 -2.319) 2.761 6.815 ( -0.479 0.000 0.938) 1.053 7.290 ( -1.750 0.000 1.496) 2.302 7.324 ( -1.737 0.000 -0.863) 1.940 7.722 ( 1.330 0.000 1.937) 2.349 8.258 ( -4.404 0.000 -1.129) 4.546 8.290 ( 2.200 0.000 -0.784) 2.336 8.406 ( 4.053 0.000 1.047) 4.186 8.521 ( -1.872 0.000 -0.921) 2.086 8.727 ( 3.453 0.000 0.362) 3.472 8.819 ( -6.501 0.000 -1.480) 6.668 9.354 ( -0.319 0.000 0.389) 0.503 9.651 ( 1.899 0.000 0.312) 1.925 9.808 ( 2.227 0.000 1.093) 2.481 9.954 ( 0.190 0.000 -1.981) 1.990 10.215 ( 0.937 0.000 -1.204) 1.526 10.657 ( 1.202 0.000 -0.421) 1.274 10.819 ( 5.771 0.000 11.168) 12.571 10.954 ( 9.355 0.000 -2.608) 9.711 11.246 ( -9.977 0.000 -7.353) 12.394 11.875 ( -6.013 0.000 -0.516) 6.035 11.936 ( 0.436 0.000 1.607) 1.666 12.065 ( -1.278 0.000 1.768) 2.182 12.658 ( 0.516 0.000 -1.560) 1.643 12.722 ( 4.612 0.000 2.847) 5.420 13.215 ( -1.106 0.000 -2.644) 2.865 13.783 ( -0.948 0.000 0.841) 1.267 15.436 ( -1.209 0.000 -0.872) 1.490 15.442 ( 5.187 0.000 -0.471) 5.209 15.899 ( 5.982 0.000 2.917) 6.655 16.162 ( -8.720 0.000 -2.117) 8.974 16.223 ( 1.424 0.000 -3.045) 3.362 16.327 ( -2.738 0.000 -2.550) 3.742 16.566 ( -0.058 0.000 1.247) 1.248 16.896 ( -0.374 0.000 0.054) 0.378 17.939 ( 3.714 0.000 -2.471) 4.461 18.061 ( 8.603 0.000 8.026) 11.765 18.860 ( -1.728 0.000 5.518) 5.782 19.115 ( -8.562 0.000 -8.427) 12.014 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 23.228 0.000) 23.228 0.627 ( 0.000 29.117 0.000) 29.117 1.055 ( 0.000 48.637 0.000) 48.637 1.993 ( 0.000 0.095 0.000) 0.095 2.514 ( 0.000 -8.044 0.000) 8.044 2.691 ( 0.000 -5.372 0.000) 5.372 2.768 ( 0.000 -0.702 0.000) 0.702 2.922 ( 0.000 1.108 0.000) 1.108 3.189 ( 0.000 7.534 0.000) 7.534 3.477 ( 0.000 -6.345 0.000) 6.345 3.545 ( 0.000 -2.269 0.000) 2.269 3.828 ( 0.000 0.673 0.000) 0.673 3.917 ( 0.000 -4.400 0.000) 4.400 4.112 ( 0.000 2.829 0.000) 2.829 4.173 ( 0.000 2.786 0.000) 2.786 4.348 ( 0.000 0.913 0.000) 0.913 4.366 ( 0.000 -3.334 0.000) 3.334 4.894 ( 0.000 -7.448 0.000) 7.448 6.176 ( 0.000 -1.183 0.000) 1.183 6.591 ( 0.000 -11.442 0.000) 11.442 6.636 ( 0.000 -8.649 0.000) 8.649 7.061 ( 0.000 1.403 0.000) 1.403 7.067 ( 0.000 -9.506 0.000) 9.506 7.380 ( 0.000 1.535 0.000) 1.535 7.478 ( 0.000 2.409 0.000) 2.409 7.734 ( 0.000 -2.719 0.000) 2.719 7.910 ( 0.000 -5.547 0.000) 5.547 8.014 ( 0.000 -6.486 0.000) 6.486 8.116 ( 0.000 -3.217 0.000) 3.217 8.196 ( 0.000 -10.044 0.000) 10.044 8.478 ( 0.000 10.683 0.000) 10.683 8.653 ( 0.000 -0.423 0.000) 0.423 9.092 ( 0.000 15.440 0.000) 15.440 9.194 ( 0.000 3.498 0.000) 3.498 9.795 ( 0.000 0.892 0.000) 0.892 10.130 ( 0.000 -2.564 0.000) 2.564 10.233 ( 0.000 -2.464 0.000) 2.464 10.355 ( 0.000 1.907 0.000) 1.907 10.456 ( 0.000 8.381 0.000) 8.381 10.574 ( 0.000 3.693 0.000) 3.693 11.612 ( 0.000 0.698 0.000) 0.698 11.683 ( 0.000 1.646 0.000) 1.646 12.101 ( 0.000 -5.886 0.000) 5.886 12.271 ( 0.000 -2.767 0.000) 2.767 12.646 ( 0.000 4.398 0.000) 4.398 12.941 ( 0.000 6.113 0.000) 6.113 13.465 ( 0.000 0.504 0.000) 0.504 14.029 ( 0.000 -9.877 0.000) 9.877 14.387 ( 0.000 7.756 0.000) 7.756 15.474 ( 0.000 -0.992 0.000) 0.992 15.921 ( 0.000 -3.385 0.000) 3.385 16.250 ( 0.000 -7.038 0.000) 7.038 16.456 ( 0.000 -1.501 0.000) 1.501 16.511 ( 0.000 0.377 0.000) 0.377 16.915 ( 0.000 3.370 0.000) 3.370 17.141 ( 0.000 -1.628 0.000) 1.628 17.211 ( 0.000 2.754 0.000) 2.754 17.547 ( 0.000 17.133 0.000) 17.133 18.027 ( 0.000 -5.431 0.000) 5.431 20.488 ( 0.000 -10.026 0.000) 10.026 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 17.100 20.414 1.691) 26.683 0.822 ( 14.675 20.007 10.890) 27.097 1.290 ( 18.897 33.333 14.463) 40.956 2.129 ( 10.230 -0.575 7.045) 12.435 2.453 ( -0.578 -7.265 -7.895) 10.744 2.634 ( -11.375 -0.401 4.061) 12.085 2.766 ( 1.939 -3.809 -2.036) 4.734 2.899 ( -2.139 3.654 -1.936) 4.656 3.169 ( -0.957 3.710 -1.218) 4.020 3.417 ( -10.158 -0.634 -3.769) 10.853 3.475 ( -1.913 -8.271 0.231) 8.493 3.834 ( -1.232 -1.447 2.954) 3.512 3.947 ( -0.672 -2.395 6.057) 6.548 4.091 ( -0.016 -0.238 -2.031) 2.045 4.128 ( -3.777 1.959 -3.306) 5.388 4.337 ( -2.567 -2.746 -1.348) 3.993 4.401 ( 4.379 4.862 1.974) 6.834 4.894 ( 0.625 -7.625 -0.779) 7.690 6.031 ( -14.911 0.035 -0.589) 14.923 6.488 ( -9.230 -10.419 -4.936) 14.768 6.649 ( 1.683 -7.424 -0.461) 7.626 6.932 ( -4.899 -3.038 -7.610) 9.547 7.093 ( -4.516 -4.535 7.198) 9.632 7.214 ( -6.542 -1.614 -9.894) 11.971 7.523 ( -0.575 0.771 -0.580) 1.123 7.770 ( 0.836 0.839 4.111) 4.278 7.942 ( 9.618 -1.052 -3.005) 10.131 8.074 ( -1.602 -3.397 -2.131) 4.318 8.144 ( 10.785 -4.421 -5.677) 12.965 8.249 ( 3.545 -12.896 4.356) 14.066 8.532 ( 4.032 5.080 9.712) 11.678 8.829 ( 4.876 -2.286 14.729) 15.682 9.125 ( 1.243 8.298 3.613) 9.136 9.291 ( 6.420 11.109 5.448) 13.939 9.652 ( -7.136 5.066 -7.065) 11.247 10.111 ( 0.227 -1.655 -5.035) 5.305 10.270 ( 5.022 -3.536 -3.842) 7.245 10.378 ( -1.613 2.773 -0.923) 3.338 10.457 ( 4.215 5.638 -0.331) 7.047 10.577 ( 0.750 5.605 0.871) 5.722 11.554 ( -3.957 -0.407 1.920) 4.417 11.777 ( 4.105 0.577 4.484) 6.107 12.111 ( -1.337 -6.946 3.080) 7.715 12.214 ( -3.411 -1.338 -4.695) 5.955 12.639 ( -1.170 5.347 0.368) 5.486 12.902 ( -1.569 6.376 -3.802) 7.588 13.464 ( -0.056 0.555 -0.524) 0.766 13.934 ( -9.263 -8.351 1.455) 12.556 14.513 ( 13.671 6.641 -1.832) 15.309 15.548 ( 5.052 -1.610 3.839) 6.546 15.906 ( -0.032 -0.539 -3.500) 3.541 16.209 ( -3.222 -9.872 -1.199) 10.453 16.445 ( -0.930 -1.438 0.700) 1.850 16.549 ( 2.519 1.204 2.719) 3.897 16.843 ( -3.406 -1.514 -5.762) 6.862 17.121 ( -2.047 5.959 1.047) 6.387 17.299 ( 7.909 6.388 -3.689) 10.815 17.460 ( 4.254 7.938 -14.045) 16.685 18.159 ( -3.286 -3.630 23.880) 24.377 20.399 ( -6.745 -9.968 -5.548) 13.252 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 18.402 14.392 2.281) 23.473 1.168 ( 13.807 16.972 9.802) 23.974 1.854 ( 23.560 11.412 12.712) 29.102 2.317 ( -4.030 -3.644 -7.653) 9.385 2.379 ( -0.117 -0.924 -1.569) 1.825 2.513 ( -0.158 -0.912 12.646) 12.679 2.751 ( -1.564 -3.398 -2.086) 4.283 2.785 ( -5.984 8.763 -5.428) 11.919 3.067 ( -10.128 0.199 -6.506) 12.039 3.220 ( -4.649 -2.773 0.013) 5.413 3.465 ( -1.547 -7.509 3.349) 8.366 3.823 ( -3.553 -6.913 -0.530) 7.791 3.989 ( -4.947 2.198 -1.751) 5.690 4.016 ( -0.813 0.119 5.844) 5.902 4.109 ( 2.147 -2.121 1.503) 3.371 4.257 ( -4.391 0.898 -0.872) 4.566 4.510 ( 5.234 6.059 2.131) 8.285 4.905 ( 1.716 -8.030 -0.333) 8.218 5.746 ( -17.077 1.676 0.288) 17.161 6.204 ( -16.725 -6.240 -4.804) 18.486 6.655 ( -0.217 -7.863 -2.022) 8.122 6.750 ( -1.609 -0.226 -14.480) 14.571 7.000 ( -6.342 -1.248 -6.928) 9.474 7.128 ( -4.423 -5.950 13.050) 15.009 7.486 ( -1.570 -3.039 -1.378) 3.688 7.783 ( -2.841 6.177 -0.405) 6.811 8.022 ( 0.007 -4.085 -2.165) 4.623 8.116 ( 10.284 -7.026 0.012) 12.455 8.208 ( 6.613 -1.923 -5.151) 8.600 8.409 ( 7.158 -7.641 4.371) 11.346 8.797 ( 7.859 -2.726 14.390) 16.621 8.968 ( -5.486 -5.299 5.553) 9.435 9.237 ( 5.763 9.175 7.632) 13.253 9.392 ( -0.519 8.437 2.399) 8.787 9.617 ( 7.263 14.282 2.494) 16.216 10.034 ( 0.261 -1.467 -8.231) 8.365 10.269 ( 4.380 -2.220 -11.228) 12.255 10.309 ( 0.607 5.852 -4.080) 7.159 10.545 ( 3.869 3.157 1.470) 5.206 10.650 ( 3.754 4.117 4.849) 7.386 11.560 ( -0.385 -4.279 5.570) 7.035 11.888 ( 1.359 -0.027 6.542) 6.681 12.059 ( -5.934 0.338 -6.409) 8.740 12.108 ( -3.664 -8.655 1.663) 9.544 12.618 ( -1.998 9.507 1.408) 9.816 12.832 ( 0.642 7.199 -6.102) 9.459 13.443 ( -1.180 0.171 -1.519) 1.931 13.811 ( -7.255 -7.384 1.851) 10.516 14.757 ( 16.779 6.488 -0.486) 17.996 15.672 ( 4.106 -2.935 2.387) 5.584 15.821 ( -2.208 4.342 -8.274) 9.601 16.148 ( -3.760 -13.876 1.291) 14.435 16.454 ( 1.116 -1.103 0.736) 1.733 16.659 ( 2.984 4.656 4.327) 7.022 16.710 ( 0.790 -5.353 -9.119) 10.604 17.084 ( -4.085 14.979 0.822) 15.548 17.263 ( -1.141 8.515 -3.681) 9.346 17.540 ( 16.793 -4.055 -10.155) 20.039 18.385 ( -5.078 -3.735 27.357) 28.073 20.148 ( -12.210 -9.842 -10.289) 18.756 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 11.944 9.647 -0.931) 15.381 1.513 ( 13.415 8.667 9.467) 18.566 2.092 ( -7.573 1.277 -6.988) 10.383 2.146 ( -2.965 5.169 -6.840) 9.072 2.270 ( 2.565 -5.917 -1.887) 6.719 2.632 ( -6.304 4.139 -1.279) 7.649 2.693 ( -1.664 2.374 -2.944) 4.132 2.765 ( 3.042 -2.982 8.463) 9.475 2.869 ( -4.180 3.928 1.954) 6.059 3.135 ( -5.710 -3.424 -3.421) 7.486 3.494 ( -1.030 -5.298 4.755) 7.193 3.699 ( -6.092 -9.095 -4.594) 11.872 3.970 ( 2.764 3.754 2.909) 5.494 4.074 ( 2.974 -5.280 0.180) 6.063 4.136 ( -1.089 1.788 4.192) 4.686 4.272 ( 0.433 3.283 9.230) 9.806 4.612 ( 3.882 2.129 2.648) 5.159 4.947 ( 3.225 -7.727 0.266) 8.377 5.502 ( -12.880 2.505 1.197) 13.175 5.863 ( -17.636 -2.457 -3.764) 18.200 6.530 ( -3.717 -3.764 -12.719) 13.775 6.622 ( -0.328 -2.743 -5.657) 6.296 6.877 ( -2.948 1.359 -1.532) 3.590 7.220 ( -3.125 -5.535 12.480) 14.005 7.451 ( -1.150 -5.654 0.048) 5.770 7.677 ( -6.355 5.117 -3.283) 8.795 8.014 ( 1.635 -8.535 -2.345) 9.001 8.255 ( 5.333 -5.561 2.202) 8.013 8.274 ( 5.224 -6.610 -3.351) 9.067 8.532 ( 4.018 -0.214 -0.269) 4.032 8.861 ( -7.007 4.343 3.058) 8.793 9.032 ( 1.546 -3.787 9.902) 10.713 9.378 ( 0.882 5.637 2.357) 6.173 9.497 ( 7.121 8.428 5.714) 12.425 9.715 ( 4.092 11.751 -3.513) 12.930 10.006 ( 4.218 -1.435 -1.965) 4.869 10.217 ( 3.902 1.659 -8.806) 9.774 10.322 ( 6.277 2.408 -3.359) 7.516 10.630 ( 4.884 4.214 1.016) 6.530 10.773 ( 3.484 2.163 5.388) 6.771 11.624 ( -1.487 -7.695 3.650) 8.645 11.855 ( -4.619 1.584 -5.376) 7.262 11.975 ( -5.615 -5.933 5.644) 9.929 12.061 ( -1.699 -4.081 2.433) 5.046 12.634 ( 2.119 15.122 2.668) 15.501 12.794 ( 2.320 8.145 -5.543) 10.122 13.389 ( -2.188 0.118 -3.253) 3.922 13.738 ( -4.493 -7.223 2.698) 8.924 15.048 ( 17.441 6.064 0.587) 18.475 15.660 ( -5.107 3.401 -5.833) 8.466 15.735 ( 2.512 -2.856 -2.511) 4.558 16.105 ( -3.506 -12.127 1.638) 12.729 16.486 ( 3.718 0.791 -4.193) 5.659 16.550 ( -2.381 -3.883 -7.313) 8.616 16.773 ( -1.658 13.733 -0.060) 13.832 17.042 ( -3.606 13.746 4.954) 15.050 17.321 ( 8.867 -3.065 5.869) 11.067 17.701 ( 14.968 -4.189 -9.257) 18.090 18.584 ( -5.607 -4.805 23.595) 24.724 19.779 ( -15.391 -9.758 -13.486) 22.671 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -5.752 8.427 -10.167) 14.404 1.714 ( -1.867 1.313 5.102) 5.589 1.921 ( 1.320 1.951 -11.272) 11.516 2.119 ( 9.301 2.793 3.353) 10.274 2.309 ( 2.990 -1.954 -1.086) 3.733 2.502 ( -6.987 -0.110 -0.757) 7.028 2.613 ( -2.528 2.426 -4.953) 6.067 2.707 ( -9.188 4.079 4.909) 11.187 2.963 ( -2.464 -2.385 0.537) 3.471 3.001 ( -0.193 -0.727 -0.956) 1.216 3.475 ( -8.269 -5.806 -7.881) 12.814 3.544 ( -1.715 -4.096 2.056) 4.894 4.129 ( 5.982 -3.767 2.900) 7.641 4.162 ( 8.851 -2.681 2.905) 9.693 4.236 ( 1.942 3.587 11.275) 11.990 4.385 ( 0.884 4.069 7.351) 8.448 4.709 ( 3.744 -4.032 3.864) 6.724 5.005 ( 3.354 -7.917 -0.479) 8.612 5.342 ( -8.032 2.549 1.090) 8.497 5.547 ( -14.911 0.657 -3.454) 15.320 6.341 ( -3.044 -1.564 -9.465) 10.065 6.562 ( -0.785 -0.459 -3.444) 3.562 6.842 ( -1.299 2.115 0.677) 2.572 7.272 ( -1.411 -1.389 4.343) 4.773 7.465 ( -2.598 -4.351 5.177) 7.245 7.537 ( -3.744 -2.442 -3.595) 5.737 8.018 ( 1.573 -11.760 -1.674) 11.983 8.232 ( -2.029 -14.833 -6.338) 16.258 8.383 ( 2.812 2.552 6.365) 7.412 8.555 ( 2.067 4.361 -2.925) 5.643 8.843 ( -0.915 8.587 4.048) 9.537 9.081 ( -2.222 5.132 0.869) 5.659 9.365 ( -3.776 3.280 1.588) 5.248 9.594 ( 3.553 2.078 -2.020) 4.585 9.807 ( 7.362 8.256 1.001) 11.107 10.039 ( 1.375 2.216 -2.621) 3.697 10.201 ( 3.424 0.003 -5.363) 6.363 10.478 ( 12.049 -2.053 2.883) 12.558 10.725 ( 3.724 6.234 3.121) 7.904 10.881 ( 3.500 1.621 3.287) 5.068 11.492 ( -9.007 -1.686 -7.605) 11.908 11.801 ( -3.779 -11.586 2.888) 12.524 11.908 ( -2.506 -2.854 0.382) 3.818 12.096 ( -1.947 2.108 5.197) 5.937 12.739 ( 4.322 13.679 0.371) 14.351 12.791 ( 3.842 10.878 0.064) 11.536 13.303 ( -2.559 0.700 -4.343) 5.089 13.717 ( -2.155 -6.710 3.039) 7.675 15.319 ( 13.794 3.993 -1.122) 14.405 15.521 ( -4.227 2.256 -3.882) 6.167 15.755 ( 2.811 -3.698 -0.185) 4.648 16.075 ( -2.356 -7.354 2.242) 8.041 16.398 ( -1.330 -3.036 -8.570) 9.189 16.511 ( -0.174 6.327 -5.314) 8.264 16.691 ( -4.574 13.605 1.672) 14.450 17.028 ( -3.397 10.984 2.594) 11.786 17.649 ( 14.311 -6.641 12.648) 20.220 17.823 ( 10.563 -4.439 -7.004) 13.429 18.721 ( -4.544 -5.660 15.911) 17.488 19.358 ( -15.461 -9.912 -14.217) 23.226 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -3.960 9.966 -5.955) 12.267 1.687 ( -2.821 0.353 1.156) 3.069 1.820 ( -1.511 3.184 -5.240) 6.315 2.277 ( 2.817 -0.230 -2.030) 3.480 2.422 ( 5.628 -0.996 3.396) 6.649 2.456 ( 2.431 -3.384 4.230) 5.938 2.514 ( -3.446 0.409 -3.380) 4.844 2.667 ( -1.692 3.663 3.968) 5.659 2.869 ( -2.832 -1.213 -1.263) 3.329 2.994 ( -2.826 3.699 -2.311) 5.197 3.243 ( -5.431 -2.945 -5.312) 8.147 3.559 ( -0.145 -5.279 1.198) 5.415 4.232 ( 3.035 -5.130 2.399) 6.425 4.276 ( 2.545 -3.437 -0.614) 4.321 4.414 ( 2.975 4.463 7.030) 8.842 4.452 ( 0.404 3.640 2.210) 4.277 4.828 ( 4.323 -8.148 3.656) 9.922 5.029 ( 0.455 -10.603 -1.571) 10.728 5.255 ( -2.886 2.873 0.192) 4.077 5.316 ( -7.585 3.629 -1.900) 8.620 6.235 ( -1.061 0.194 -3.114) 3.295 6.522 ( -0.388 2.896 -1.621) 3.341 6.836 ( -0.543 2.057 0.739) 2.252 7.307 ( 2.314 1.793 1.441) 3.263 7.387 ( -5.098 5.086 -1.254) 7.309 7.538 ( 0.218 -16.817 1.949) 16.931 8.035 ( 1.589 -13.299 0.130) 13.394 8.121 ( -2.880 -12.063 -3.697) 12.941 8.475 ( -0.401 3.387 5.957) 6.864 8.544 ( 1.495 2.980 -4.242) 5.395 8.904 ( 3.203 11.888 3.238) 12.731 9.010 ( -3.862 12.230 -3.152) 13.207 9.326 ( -1.957 -1.452 0.775) 2.557 9.627 ( 1.876 -1.301 -0.678) 2.382 9.903 ( 2.618 7.695 0.429) 8.139 10.019 ( 0.074 3.327 -1.677) 3.726 10.200 ( 1.206 -1.098 -1.918) 2.518 10.673 ( 4.816 -1.214 1.102) 5.088 10.860 ( 4.198 3.673 8.929) 10.528 10.963 ( 5.891 1.069 -1.470) 6.165 11.234 ( -10.222 -1.275 -7.279) 12.613 11.753 ( -2.773 -9.903 0.913) 10.325 11.909 ( 0.232 -1.518 0.682) 1.680 12.102 ( -1.288 3.123 1.581) 3.730 12.744 ( 0.464 8.826 -1.444) 8.955 12.908 ( 3.479 13.571 2.407) 14.215 13.229 ( -1.193 1.176 -2.188) 2.756 13.722 ( -0.633 -5.365 1.363) 5.571 15.440 ( 2.449 0.147 -4.438) 5.071 15.447 ( -0.283 0.095 1.501) 1.531 15.842 ( 5.009 -3.430 0.797) 6.123 16.079 ( -1.403 -1.054 3.502) 3.917 16.307 ( -0.965 -2.217 -3.265) 4.063 16.391 ( -3.569 10.744 -5.130) 12.429 16.690 ( 0.089 10.175 1.499) 10.285 17.000 ( -1.651 9.449 0.670) 9.616 17.878 ( 3.379 -5.416 -1.522) 6.562 17.998 ( 9.170 -5.828 7.036) 12.945 18.790 ( -1.822 -5.942 5.921) 8.584 18.999 ( -8.989 -10.667 -8.761) 16.473 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 22.743 0.000) 22.743 1.206 ( 0.000 25.492 0.000) 25.492 1.990 ( 0.000 10.007 0.000) 10.007 2.020 ( 0.000 31.136 0.000) 31.136 2.382 ( 0.000 -1.684 0.000) 1.684 2.559 ( 0.000 -6.905 0.000) 6.905 2.808 ( 0.000 3.610 0.000) 3.610 2.944 ( 0.000 1.324 0.000) 1.324 3.289 ( 0.000 -9.844 0.000) 9.844 3.301 ( 0.000 2.773 0.000) 2.773 3.499 ( 0.000 -3.718 0.000) 3.718 3.771 ( 0.000 -8.721 0.000) 8.721 3.799 ( 0.000 -2.944 0.000) 2.944 4.204 ( 0.000 5.485 0.000) 5.485 4.219 ( 0.000 -9.020 0.000) 9.020 4.248 ( 0.000 3.787 0.000) 3.787 4.422 ( 0.000 3.941 0.000) 3.941 4.694 ( 0.000 -10.303 0.000) 10.303 6.100 ( 0.000 -6.045 0.000) 6.045 6.294 ( 0.000 -15.130 0.000) 15.130 6.441 ( 0.000 -8.462 0.000) 8.462 6.857 ( 0.000 -10.291 0.000) 10.291 7.111 ( 0.000 2.468 0.000) 2.468 7.318 ( 0.000 -6.462 0.000) 6.462 7.513 ( 0.000 1.122 0.000) 1.122 7.680 ( 0.000 -1.853 0.000) 1.853 7.802 ( 0.000 -4.672 0.000) 4.672 7.886 ( 0.000 -5.507 0.000) 5.507 8.020 ( 0.000 -5.548 0.000) 5.548 8.021 ( 0.000 -6.796 0.000) 6.796 8.624 ( 0.000 -1.685 0.000) 1.685 8.632 ( 0.000 3.164 0.000) 3.164 9.340 ( 0.000 10.109 0.000) 10.109 9.423 ( 0.000 14.836 0.000) 14.836 9.838 ( 0.000 3.140 0.000) 3.140 10.078 ( 0.000 -2.496 0.000) 2.496 10.160 ( 0.000 -3.472 0.000) 3.472 10.380 ( 0.000 -0.202 0.000) 0.202 10.643 ( 0.000 7.939 0.000) 7.939 10.659 ( 0.000 4.023 0.000) 4.023 11.631 ( 0.000 1.108 0.000) 1.108 11.717 ( 0.000 2.052 0.000) 2.052 11.945 ( 0.000 -7.960 0.000) 7.960 12.187 ( 0.000 -5.106 0.000) 5.106 12.788 ( 0.000 8.766 0.000) 8.766 13.122 ( 0.000 10.156 0.000) 10.156 13.461 ( 0.000 -1.653 0.000) 1.653 13.803 ( 0.000 -9.965 0.000) 9.965 14.613 ( 0.000 13.219 0.000) 13.219 15.465 ( 0.000 0.782 0.000) 0.782 15.746 ( 0.000 -12.730 0.000) 12.730 16.183 ( 0.000 -0.661 0.000) 0.661 16.398 ( 0.000 -3.214 0.000) 3.214 16.528 ( 0.000 1.143 0.000) 1.143 16.916 ( 0.000 -1.699 0.000) 1.699 17.089 ( 0.000 -3.375 0.000) 3.375 17.311 ( 0.000 5.873 0.000) 5.873 17.881 ( 0.000 -7.915 0.000) 7.915 18.040 ( 0.000 27.738 0.000) 27.738 20.191 ( 0.000 -17.687 0.000) 17.687 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 14.034 18.809 5.727) 24.157 1.297 ( 8.201 22.634 4.251) 24.447 2.020 ( 3.205 28.888 -2.733) 29.193 2.117 ( 9.009 -0.601 5.989) 10.835 2.372 ( 1.212 3.383 -1.776) 4.008 2.598 ( -2.640 -4.250 6.120) 7.905 2.746 ( -3.959 3.843 -2.513) 6.063 2.941 ( -1.583 1.358 2.032) 2.912 3.245 ( -2.388 1.887 -5.605) 6.378 3.274 ( -1.838 -9.744 -0.271) 9.920 3.365 ( -9.851 -4.730 -6.079) 12.505 3.732 ( -1.593 -6.899 -1.057) 7.159 3.893 ( 0.202 -2.633 10.880) 11.196 4.114 ( -5.043 2.476 -2.985) 6.362 4.210 ( -2.954 3.471 -1.581) 4.825 4.225 ( -1.853 -5.732 2.103) 6.381 4.507 ( 6.445 3.883 1.604) 7.694 4.691 ( 0.068 -10.356 -0.761) 10.384 5.991 ( -11.522 -4.064 -0.854) 12.247 6.219 ( -6.597 -13.933 -3.388) 15.784 6.461 ( 0.769 -8.273 1.720) 8.485 6.827 ( 0.891 -8.018 -5.111) 9.551 7.038 ( -8.250 -0.832 2.714) 8.725 7.107 ( -10.453 -6.292 -8.542) 14.893 7.566 ( -2.645 2.454 0.122) 3.610 7.748 ( 8.571 -3.160 1.010) 9.191 7.880 ( -2.999 -7.730 2.101) 8.553 7.941 ( 10.747 -4.147 -1.531) 11.621 8.023 ( 1.542 -5.808 5.370) 8.059 8.077 ( 7.173 -4.678 -3.159) 9.128 8.616 ( 1.549 2.330 5.969) 6.592 8.783 ( 5.628 -2.128 6.733) 9.029 9.313 ( -0.519 10.494 3.470) 11.065 9.528 ( 3.255 9.168 2.459) 10.035 9.798 ( 1.133 8.560 -1.746) 8.809 10.072 ( 2.237 -2.110 -5.608) 6.395 10.190 ( 5.474 -2.750 -3.747) 7.181 10.413 ( 0.964 0.086 2.280) 2.477 10.611 ( -0.249 7.083 -2.066) 7.383 10.679 ( 0.929 4.025 0.511) 4.162 11.559 ( -5.682 0.725 0.685) 5.769 11.801 ( 4.220 1.890 3.942) 6.076 11.936 ( -3.709 -8.669 3.082) 9.920 12.162 ( -0.256 -3.615 -3.794) 5.247 12.800 ( 1.465 9.478 0.099) 9.591 13.077 ( -1.484 9.190 -4.465) 10.324 13.463 ( -2.048 -1.297 2.234) 3.297 13.743 ( -5.923 -8.213 0.541) 10.141 14.722 ( 11.888 12.722 -0.403) 17.416 15.514 ( 4.330 -1.170 0.853) 4.566 15.779 ( 1.634 -11.049 3.222) 11.625 16.127 ( -0.470 1.242 -9.137) 9.233 16.410 ( -0.273 -2.793 2.908) 4.041 16.537 ( 1.185 -1.119 1.013) 1.919 16.789 ( -5.211 -2.367 -8.331) 10.107 17.173 ( 5.907 -2.976 -0.182) 6.617 17.358 ( 6.056 4.681 -0.969) 7.715 17.795 ( -2.772 11.881 -7.615) 14.382 18.143 ( -4.362 8.665 20.533) 22.709 20.105 ( -6.796 -17.550 -5.132) 19.507 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 10.391 15.632 3.225) 19.046 1.554 ( 11.930 18.490 6.042) 22.820 2.072 ( 8.963 5.706 -5.659) 12.038 2.325 ( -1.045 4.712 0.713) 4.878 2.379 ( 4.694 0.691 -1.191) 4.892 2.545 ( -6.239 1.410 7.214) 9.641 2.690 ( -1.802 0.853 -2.490) 3.190 2.927 ( -3.977 5.093 2.509) 6.932 3.096 ( -7.957 1.277 -5.040) 9.505 3.129 ( -3.497 -4.942 -5.679) 8.301 3.278 ( -1.836 -8.825 5.127) 10.370 3.663 ( -4.313 -7.135 -3.922) 9.214 4.010 ( -3.109 -0.713 -1.513) 3.530 4.015 ( -1.674 0.013 9.918) 10.058 4.134 ( -3.454 4.399 -0.030) 5.593 4.236 ( -0.997 -2.512 5.805) 6.403 4.608 ( 3.342 1.824 -1.541) 4.108 4.694 ( 1.877 -10.392 0.993) 10.607 5.751 ( -14.528 -1.554 -0.806) 14.633 6.015 ( -12.009 -10.837 -4.036) 16.671 6.482 ( -0.070 -6.623 0.150) 6.625 6.750 ( -3.092 -1.913 -10.510) 11.121 6.893 ( -2.505 -6.470 -5.348) 8.760 6.972 ( -5.386 -8.303 8.370) 12.962 7.486 ( -3.518 1.698 -3.481) 5.232 7.824 ( -4.339 -3.700 0.507) 5.725 7.904 ( 6.606 -9.077 0.689) 11.247 7.940 ( -2.862 -3.571 -0.959) 4.676 8.167 ( 6.923 -2.389 -1.250) 7.430 8.264 ( 12.278 -5.089 4.685) 14.093 8.787 ( 4.754 0.934 12.260) 13.182 8.908 ( 1.045 -1.269 4.631) 4.914 9.429 ( 6.240 9.258 7.008) 13.182 9.542 ( 0.915 5.842 -0.570) 5.941 9.870 ( 5.545 6.783 -1.296) 8.856 10.029 ( 2.753 2.246 -9.723) 10.351 10.243 ( 7.437 0.777 -5.497) 9.281 10.420 ( 0.397 3.589 -3.175) 4.809 10.617 ( 1.689 3.585 1.563) 4.260 10.720 ( 2.022 2.323 3.161) 4.413 11.494 ( -4.199 -1.890 2.831) 5.405 11.868 ( -8.043 -10.136 2.221) 13.129 11.917 ( 3.022 2.280 4.416) 5.817 12.103 ( -0.986 0.579 -3.686) 3.859 12.844 ( 3.630 11.374 0.537) 11.952 13.010 ( 0.558 8.467 -4.736) 9.717 13.430 ( -4.970 -1.938 2.895) 6.069 13.657 ( -4.970 -5.817 0.249) 7.655 14.956 ( 15.880 11.946 -0.433) 19.877 15.589 ( 4.125 -4.569 -1.162) 6.264 15.858 ( 1.456 -7.262 5.115) 9.001 15.975 ( -2.668 3.886 -12.356) 13.225 16.460 ( 1.708 0.011 3.553) 3.942 16.579 ( 0.924 -5.339 -9.434) 10.879 16.668 ( 4.922 -3.370 2.696) 6.546 17.242 ( 0.825 -0.146 2.467) 2.605 17.462 ( 8.364 1.286 -4.445) 9.559 17.651 ( -3.689 21.232 -6.679) 22.561 18.312 ( -6.268 -1.708 24.385) 25.235 19.859 ( -12.405 -17.215 -9.541) 23.265 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.490 9.649 3.004) 11.059 1.761 ( 7.527 14.077 0.087) 15.963 2.113 ( -4.119 0.436 -7.994) 9.004 2.204 ( 4.329 1.513 -3.630) 5.849 2.277 ( -8.152 4.279 -5.523) 10.736 2.582 ( -5.543 -3.984 -2.309) 7.206 2.669 ( 3.217 -4.509 4.711) 7.272 2.888 ( -2.589 9.541 0.892) 9.926 2.980 ( -3.030 1.964 -4.067) 5.438 3.049 ( -3.077 -0.502 1.010) 3.277 3.353 ( 0.215 -7.283 8.773) 11.404 3.511 ( -5.855 -7.524 -5.625) 11.069 3.963 ( 0.499 -3.838 -1.932) 4.326 4.046 ( -0.694 3.051 2.478) 3.992 4.163 ( -0.256 0.457 10.220) 10.233 4.342 ( 1.339 2.745 10.767) 11.192 4.592 ( -0.684 -4.726 -2.044) 5.194 4.765 ( 3.446 -7.939 0.727) 8.685 5.525 ( -11.302 -0.531 -0.129) 11.315 5.757 ( -13.374 -7.299 -3.193) 15.567 6.438 ( -3.760 -3.248 -5.017) 7.061 6.577 ( -1.075 -2.306 -6.206) 6.708 6.850 ( 0.508 -3.491 -1.894) 4.004 7.038 ( -0.526 -11.960 9.307) 15.164 7.386 ( -2.772 0.579 -4.210) 5.074 7.738 ( -4.917 -0.783 -1.930) 5.340 7.873 ( -3.545 -3.366 0.144) 4.891 7.976 ( 2.455 -11.965 -2.547) 12.477 8.284 ( 4.619 0.002 5.035) 6.833 8.476 ( 8.442 -4.138 1.694) 9.553 8.952 ( -1.213 3.748 5.924) 7.115 8.992 ( 3.225 0.178 10.420) 10.909 9.518 ( 1.698 6.442 -2.144) 6.998 9.673 ( 8.075 7.713 3.523) 11.709 9.913 ( 4.368 0.214 -5.152) 6.757 9.955 ( 3.080 3.614 -8.186) 9.464 10.303 ( 5.777 5.017 -5.707) 9.545 10.375 ( 2.012 2.952 -5.657) 6.691 10.711 ( 4.221 3.244 5.408) 7.588 10.807 ( 2.618 0.908 4.638) 5.403 11.476 ( -2.877 -5.660 3.573) 7.286 11.712 ( -10.252 -10.299 -2.097) 14.682 11.956 ( -0.210 3.731 -1.806) 4.150 12.103 ( 0.377 3.301 4.939) 5.952 12.940 ( 6.360 13.266 1.659) 14.805 12.992 ( 2.242 9.285 -3.623) 10.216 13.380 ( -4.334 -1.451 2.255) 5.096 13.578 ( -4.664 -6.578 0.664) 8.091 15.218 ( 15.889 9.246 -1.602) 18.453 15.616 ( 0.949 -5.165 -1.665) 5.510 15.786 ( -3.313 3.902 -10.542) 11.719 15.935 ( 1.255 -1.583 5.218) 5.595 16.430 ( -0.918 -6.382 -10.720) 12.510 16.556 ( 6.057 4.909 -0.038) 7.797 16.918 ( 10.685 -2.773 9.998) 14.893 17.257 ( -1.311 0.863 1.678) 2.297 17.433 ( -7.065 16.759 0.612) 18.197 17.632 ( 11.035 1.893 -9.146) 14.457 18.465 ( -6.787 -6.187 21.876) 23.725 19.494 ( -15.883 -16.899 -12.604) 26.395 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -7.605 9.366 -4.385) 12.837 1.766 ( -2.801 3.668 -0.814) 4.687 1.971 ( 0.313 2.749 -7.969) 8.436 2.192 ( 6.858 4.004 -6.142) 10.039 2.299 ( 2.600 1.101 5.110) 5.838 2.461 ( -5.724 -3.439 -1.253) 6.794 2.659 ( -4.755 0.069 -1.326) 4.937 2.824 ( -6.077 4.897 -0.726) 7.838 2.883 ( -2.431 -2.194 -2.939) 4.400 3.057 ( 2.531 5.761 1.700) 6.518 3.341 ( -6.647 -6.068 -5.854) 10.736 3.434 ( -1.841 -5.758 5.198) 7.973 3.994 ( 4.528 -6.111 0.749) 7.643 4.113 ( 4.179 -2.201 1.924) 5.100 4.328 ( 2.493 1.919 14.765) 15.096 4.471 ( 0.970 2.951 6.899) 7.566 4.576 ( 0.574 -6.266 0.568) 6.317 4.798 ( 0.741 -10.734 -1.581) 10.875 5.375 ( -6.487 0.286 -0.190) 6.496 5.515 ( -11.434 -3.704 -2.392) 12.255 6.294 ( -3.600 -2.410 -5.623) 7.099 6.567 ( 2.253 0.972 -1.117) 2.696 6.857 ( 1.096 -2.407 0.434) 2.681 7.113 ( -0.924 -14.910 5.064) 15.773 7.322 ( 0.138 0.873 -2.487) 2.639 7.622 ( -5.740 3.449 -2.299) 7.080 7.834 ( -1.174 -4.686 -0.151) 4.833 7.943 ( -1.497 -11.776 -3.495) 12.375 8.420 ( 0.952 0.664 9.882) 9.950 8.582 ( 5.033 -1.226 -2.618) 5.805 9.019 ( 1.799 7.192 5.444) 9.198 9.118 ( 0.917 1.019 6.162) 6.312 9.500 ( -1.238 6.185 -2.279) 6.707 9.689 ( -0.625 7.139 -7.982) 10.727 9.929 ( 4.828 -2.366 -4.101) 6.762 10.023 ( 5.603 2.389 0.639) 6.125 10.280 ( 2.533 5.766 -6.813) 9.278 10.440 ( 8.744 -0.960 -0.441) 8.808 10.839 ( 2.934 4.193 5.541) 7.543 10.906 ( 2.911 0.606 4.560) 5.444 11.420 ( -7.484 -4.560 -3.636) 9.488 11.539 ( -5.693 -11.103 0.947) 12.513 11.934 ( 0.415 4.358 -1.215) 4.543 12.161 ( -0.669 3.356 4.412) 5.584 12.978 ( 0.779 9.731 -3.055) 10.229 13.083 ( 6.795 13.350 2.384) 15.168 13.321 ( -3.640 1.056 -1.370) 4.030 13.549 ( -1.539 -8.513 4.170) 9.604 15.395 ( 8.707 2.188 -5.914) 10.750 15.562 ( -4.863 0.399 -2.477) 5.472 15.711 ( 5.416 1.263 -3.060) 6.347 16.040 ( 3.018 4.985 7.635) 9.605 16.308 ( -1.051 -5.320 -7.694) 9.413 16.655 ( 6.419 7.685 -2.943) 10.437 17.019 ( -5.351 15.269 -0.621) 16.191 17.288 ( -3.194 9.027 2.985) 10.030 17.472 ( 8.945 -6.353 12.563) 16.679 17.716 ( 10.116 -4.129 -8.112) 13.608 18.570 ( -5.665 -8.613 15.355) 18.494 19.070 ( -16.393 -16.957 -13.684) 27.268 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.777 12.471 -2.975) 13.365 1.715 ( -2.482 2.013 0.184) 3.201 1.887 ( -1.113 3.111 -4.653) 5.707 2.271 ( 6.005 -0.010 -2.538) 6.519 2.389 ( 1.014 -2.905 1.338) 3.355 2.402 ( -0.055 -1.577 3.507) 3.846 2.539 ( -5.991 1.526 -2.164) 6.551 2.713 ( -3.278 1.084 -2.379) 4.193 2.907 ( 3.480 4.503 4.749) 7.412 3.088 ( -1.407 4.571 -3.729) 6.065 3.161 ( -4.534 -3.305 -2.786) 6.264 3.443 ( -0.971 -5.134 1.464) 5.426 4.102 ( 4.076 -6.400 3.174) 8.225 4.167 ( 0.784 -5.838 -1.305) 6.034 4.516 ( 0.510 3.809 5.345) 6.583 4.525 ( 2.192 -2.228 5.248) 6.108 4.620 ( 1.675 -6.604 1.409) 6.957 4.757 ( -1.629 -13.221 -3.160) 13.691 5.306 ( -1.341 1.270 -0.299) 1.870 5.344 ( -5.780 -0.624 -1.097) 5.916 6.217 ( -0.925 -1.868 -1.684) 2.680 6.590 ( 1.082 2.863 -0.340) 3.080 6.887 ( 0.921 1.723 0.958) 2.175 7.120 ( -1.217 -19.285 0.714) 19.337 7.338 ( 2.452 0.132 0.050) 2.456 7.512 ( -4.107 5.978 -1.462) 7.399 7.825 ( 0.146 -5.371 -0.266) 5.379 7.882 ( -1.553 -9.987 -1.357) 10.198 8.517 ( -1.852 -0.362 8.022) 8.241 8.599 ( 2.959 2.454 -5.046) 6.343 9.108 ( 0.990 4.460 2.930) 5.427 9.205 ( 5.155 8.219 3.628) 10.358 9.392 ( -7.050 8.156 -3.949) 11.482 9.618 ( 0.793 0.451 -3.339) 3.462 9.956 ( 1.751 -7.043 -1.305) 7.373 10.081 ( 1.507 6.567 -0.216) 6.742 10.261 ( 1.473 6.293 -2.841) 7.060 10.594 ( 6.065 -4.980 1.220) 7.941 10.936 ( 1.978 2.685 4.293) 5.436 10.996 ( 3.031 1.850 3.062) 4.688 11.202 ( -8.405 -1.372 -6.232) 10.553 11.510 ( -1.258 -11.815 1.137) 11.936 11.938 ( 0.430 4.207 -0.096) 4.230 12.179 ( -0.647 3.563 1.341) 3.861 12.956 ( -0.067 9.915 -1.249) 9.993 13.189 ( 2.836 11.400 1.016) 11.791 13.252 ( -1.786 0.897 -1.216) 2.339 13.589 ( 0.328 -6.627 2.554) 7.110 15.412 ( 2.316 -1.650 -3.997) 4.905 15.470 ( -3.024 1.882 -0.507) 3.598 15.797 ( 4.162 -0.739 -0.455) 4.252 16.183 ( 1.930 8.341 5.968) 10.437 16.236 ( 0.790 -1.890 -2.681) 3.374 16.652 ( -0.598 13.576 -5.010) 14.483 16.944 ( -1.190 13.474 0.181) 13.527 17.246 ( -3.081 11.823 1.412) 12.299 17.732 ( 2.758 -7.464 3.141) 8.555 17.835 ( 10.504 -9.047 2.568) 14.098 18.619 ( -3.744 -10.833 7.055) 13.459 18.693 ( -9.094 -17.117 -10.175) 21.891 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 18.994 0.000) 18.994 1.688 ( 0.000 20.582 0.000) 20.582 1.949 ( 0.000 -5.224 0.000) 5.224 2.366 ( 0.000 -10.349 0.000) 10.349 2.493 ( 0.000 11.444 0.000) 11.444 2.741 ( 0.000 21.737 0.000) 21.737 2.903 ( 0.000 5.335 0.000) 5.335 3.019 ( 0.000 8.355 0.000) 8.355 3.095 ( 0.000 -7.528 0.000) 7.528 3.299 ( 0.000 -2.980 0.000) 2.980 3.363 ( 0.000 -8.782 0.000) 8.782 3.579 ( 0.000 -9.236 0.000) 9.236 3.749 ( 0.000 -0.657 0.000) 0.657 3.992 ( 0.000 -11.235 0.000) 11.235 4.318 ( 0.000 4.983 0.000) 4.983 4.345 ( 0.000 4.737 0.000) 4.737 4.466 ( 0.000 -0.370 0.000) 0.370 4.515 ( 0.000 -5.903 0.000) 5.903 5.955 ( 0.000 -6.435 0.000) 6.435 6.012 ( 0.000 -10.570 0.000) 10.570 6.329 ( 0.000 -1.312 0.000) 1.312 6.629 ( 0.000 -11.446 0.000) 11.446 7.137 ( 0.000 -0.012 0.000) 0.012 7.189 ( 0.000 -4.672 0.000) 4.672 7.553 ( 0.000 3.132 0.000) 3.132 7.633 ( 0.000 -1.611 0.000) 1.611 7.726 ( 0.000 -3.151 0.000) 3.151 7.773 ( 0.000 -5.656 0.000) 5.656 7.910 ( 0.000 -3.580 0.000) 3.580 7.913 ( 0.000 -3.739 0.000) 3.739 8.602 ( 0.000 -0.252 0.000) 0.252 8.642 ( 0.000 -1.123 0.000) 1.123 9.565 ( 0.000 9.989 0.000) 9.989 9.677 ( 0.000 8.276 0.000) 8.276 9.912 ( 0.000 3.402 0.000) 3.402 10.013 ( 0.000 -3.263 0.000) 3.263 10.133 ( 0.000 1.293 0.000) 1.293 10.331 ( 0.000 -4.451 0.000) 4.451 10.732 ( 0.000 2.698 0.000) 2.698 10.754 ( 0.000 2.595 0.000) 2.595 11.660 ( 0.000 1.705 0.000) 1.705 11.790 ( 0.000 4.215 0.000) 4.215 11.799 ( 0.000 -4.738 0.000) 4.738 12.062 ( 0.000 -6.524 0.000) 6.524 12.996 ( 0.000 10.469 0.000) 10.469 13.332 ( 0.000 9.275 0.000) 9.275 13.374 ( 0.000 -6.486 0.000) 6.486 13.637 ( 0.000 -6.294 0.000) 6.294 14.912 ( 0.000 14.275 0.000) 14.275 15.461 ( 0.000 -13.433 0.000) 13.433 15.539 ( 0.000 6.920 0.000) 6.920 16.048 ( 0.000 -12.036 0.000) 12.036 16.427 ( 0.000 5.142 0.000) 5.142 16.548 ( 0.000 0.449 0.000) 0.449 16.886 ( 0.000 -0.691 0.000) 0.691 16.999 ( 0.000 -4.901 0.000) 4.901 17.437 ( 0.000 6.040 0.000) 6.040 17.714 ( 0.000 -7.607 0.000) 7.607 18.648 ( 0.000 29.015 0.000) 29.015 19.760 ( 0.000 -22.971 0.000) 22.971 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 10.774 17.236 5.186) 20.978 1.721 ( 3.869 17.579 0.550) 18.008 2.063 ( 8.477 -4.557 5.269) 10.972 2.337 ( -2.464 -1.344 -3.812) 4.734 2.439 ( 0.928 6.275 -5.171) 8.183 2.713 ( -7.278 11.436 1.512) 13.639 2.868 ( -2.605 3.852 0.718) 4.705 3.045 ( -0.858 2.305 0.235) 2.471 3.066 ( -2.060 -0.565 -1.278) 2.489 3.202 ( -7.859 -8.686 -5.609) 12.987 3.262 ( -0.748 -0.741 -5.716) 5.812 3.593 ( -0.569 -6.092 0.127) 6.120 3.854 ( 1.329 -0.530 12.526) 12.608 4.030 ( 1.124 -8.636 6.278) 10.736 4.201 ( -6.714 4.565 -4.291) 9.183 4.331 ( -3.452 5.185 -0.324) 6.237 4.472 ( -0.692 -6.677 1.650) 6.912 4.559 ( 3.028 -2.131 0.529) 3.740 5.880 ( -7.378 -5.201 -1.944) 9.234 5.954 ( -5.100 -10.112 -2.563) 11.612 6.355 ( 1.262 -1.141 2.359) 2.909 6.626 ( 1.956 -10.447 -2.263) 10.866 6.992 ( -11.509 -2.559 -3.965) 12.439 7.026 ( -11.323 -2.259 -2.130) 11.741 7.603 ( -0.983 0.500 -2.336) 2.583 7.640 ( 2.197 -4.951 -3.068) 6.225 7.768 ( 3.305 -1.431 4.932) 6.107 7.891 ( -0.120 -2.917 0.240) 2.929 7.916 ( 10.606 -3.142 6.187) 12.674 7.986 ( 6.760 -3.945 -1.106) 7.905 8.651 ( 3.774 1.556 4.971) 6.432 8.735 ( 6.605 -2.307 3.174) 7.683 9.540 ( -1.145 9.908 1.860) 10.146 9.663 ( -1.558 3.943 -1.199) 4.406 9.942 ( 2.547 3.394 -3.007) 5.201 10.032 ( 6.072 -1.517 -3.881) 7.364 10.187 ( 6.454 3.076 -0.126) 7.151 10.379 ( 3.152 -3.189 2.408) 5.090 10.715 ( -1.189 2.928 -0.959) 3.302 10.741 ( -0.818 1.681 -0.486) 1.932 11.592 ( -6.620 2.525 0.881) 7.140 11.774 ( -5.485 -6.430 3.292) 9.070 11.863 ( 5.131 3.973 2.238) 6.864 12.069 ( 2.589 -4.957 -2.376) 6.076 13.008 ( 2.187 9.667 -0.865) 9.949 13.236 ( -2.384 3.785 -6.482) 7.876 13.419 ( -3.338 -0.641 6.244) 7.109 13.611 ( -3.084 -5.101 1.055) 6.053 15.010 ( 11.278 13.475 -0.947) 17.597 15.462 ( 4.469 -7.630 -5.428) 10.376 15.615 ( 2.000 1.433 8.557) 8.904 16.061 ( 2.333 -9.932 -1.362) 10.293 16.395 ( 1.341 3.495 -7.253) 8.162 16.532 ( -0.904 -0.303 -0.128) 0.962 16.769 ( -4.463 1.229 -8.472) 9.654 17.038 ( 5.063 -8.400 -3.331) 10.358 17.498 ( 1.815 7.477 6.686) 10.193 17.792 ( 0.519 -5.667 10.863) 12.263 18.596 ( -6.571 27.070 0.931) 27.872 19.678 ( -6.874 -22.702 -4.313) 24.109 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.437 15.942 2.081) 16.679 1.880 ( 11.957 11.670 5.243) 17.511 2.178 ( 0.692 2.587 -7.381) 7.851 2.348 ( 8.261 0.772 6.019) 10.251 2.395 ( -1.022 -2.763 -6.310) 6.964 2.547 ( -10.826 5.005 -0.977) 11.967 2.747 ( -11.142 -0.588 -6.609) 12.968 2.934 ( -1.304 -10.770 -5.609) 12.213 3.021 ( -1.804 -0.662 -0.500) 1.985 3.116 ( -4.111 -3.372 4.825) 7.180 3.235 ( 0.711 9.445 1.251) 9.554 3.549 ( -2.862 -4.057 -3.420) 6.029 3.998 ( 0.173 0.571 9.734) 9.753 4.042 ( -6.470 2.867 -2.409) 7.475 4.185 ( 2.967 -1.562 13.478) 13.889 4.245 ( -5.038 5.144 -1.161) 7.293 4.472 ( -1.827 -8.327 2.232) 8.813 4.596 ( 1.090 -4.569 -0.183) 4.700 5.690 ( -11.051 -3.230 -2.782) 11.844 5.793 ( -9.216 -9.147 -3.870) 13.549 6.411 ( 2.173 0.187 1.909) 2.898 6.646 ( -0.832 -7.685 -1.315) 7.841 6.770 ( -3.926 -3.788 -5.393) 7.671 6.840 ( -8.666 -4.384 -0.741) 9.740 7.516 ( -2.561 0.856 -4.666) 5.391 7.645 ( 0.189 -8.205 -0.124) 8.208 7.830 ( 0.502 -0.433 -0.073) 0.667 7.889 ( -2.215 -1.970 2.049) 3.604 8.117 ( 7.767 -1.709 3.000) 8.500 8.177 ( 10.590 -3.621 5.513) 12.476 8.821 ( 6.098 1.930 8.659) 10.765 8.886 ( 5.906 -1.090 3.860) 7.139 9.611 ( 4.577 7.048 4.407) 9.489 9.639 ( 1.852 3.393 -1.930) 4.320 9.916 ( 3.097 1.252 -8.236) 8.887 10.071 ( 6.212 -1.020 -9.152) 11.108 10.320 ( 7.390 5.499 -0.330) 9.218 10.450 ( 3.401 -0.349 -1.076) 3.585 10.686 ( -1.045 2.729 1.531) 3.299 10.746 ( 0.426 0.152 2.827) 2.863 11.490 ( -6.817 1.640 1.548) 7.181 11.682 ( -8.860 -7.361 1.819) 11.662 11.981 ( 4.606 3.456 3.023) 6.503 12.096 ( 2.818 -1.283 -0.991) 3.251 13.053 ( 4.223 7.522 -0.638) 8.650 13.154 ( 0.449 4.191 -3.811) 5.683 13.390 ( -7.447 0.215 5.777) 9.428 13.569 ( -3.234 -3.620 0.187) 4.858 15.215 ( 14.669 11.054 -3.376) 18.676 15.488 ( 5.074 -5.084 -4.697) 8.582 15.756 ( 2.230 0.770 8.722) 9.035 16.070 ( 3.049 0.440 -6.789) 7.455 16.351 ( 2.053 -5.002 -4.905) 7.301 16.537 ( 4.146 -5.740 -2.224) 7.422 16.644 ( 0.746 6.536 -4.202) 7.806 17.088 ( 4.984 -11.137 -2.442) 12.444 17.611 ( 1.142 9.707 7.923) 12.581 17.915 ( 0.079 0.495 7.452) 7.469 18.468 ( -12.030 18.921 5.505) 23.087 19.442 ( -12.695 -21.982 -8.014) 26.619 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -1.987 9.970 2.033) 10.367 2.033 ( -2.011 8.579 -6.574) 10.994 2.123 ( 1.086 1.584 -1.187) 2.258 2.268 ( 0.823 3.749 -5.896) 7.035 2.367 ( -4.869 5.265 -4.500) 8.467 2.499 ( -6.827 -3.371 -4.332) 8.760 2.555 ( 4.617 -5.925 4.640) 8.829 2.841 ( -1.287 -9.735 -8.015) 12.676 3.025 ( -0.757 2.618 2.096) 3.438 3.130 ( -1.909 -1.123 6.134) 6.522 3.285 ( 0.110 4.167 5.423) 6.840 3.421 ( -4.975 -1.273 -6.546) 8.320 3.930 ( -2.477 1.103 -2.058) 3.404 4.077 ( -2.370 -1.709 4.508) 5.372 4.193 ( -1.934 4.863 4.779) 7.087 4.382 ( 1.865 1.381 12.528) 12.741 4.478 ( -0.937 -4.341 4.165) 6.088 4.597 ( -0.551 -9.326 0.035) 9.342 5.488 ( -9.103 -2.248 -2.017) 9.591 5.589 ( -9.606 -7.623 -3.380) 12.720 6.412 ( -5.070 0.602 -3.405) 6.137 6.540 ( -0.752 -1.228 -0.642) 1.576 6.724 ( -3.872 -7.494 -0.062) 8.435 6.819 ( 7.182 -7.106 -1.060) 10.159 7.431 ( -2.230 2.845 -3.149) 4.795 7.641 ( -0.646 -7.070 -0.168) 7.102 7.814 ( -0.594 -1.826 -1.762) 2.606 7.858 ( -3.682 -0.861 1.596) 4.105 8.281 ( 4.627 0.280 7.426) 8.754 8.384 ( 7.043 -4.184 5.124) 9.663 9.006 ( 3.089 1.797 8.171) 8.918 9.020 ( 5.798 1.413 4.681) 7.585 9.630 ( 2.241 4.177 -5.149) 6.999 9.768 ( 6.029 -1.044 0.988) 6.198 9.891 ( 5.668 4.001 -7.249) 10.034 10.047 ( 4.246 1.391 -9.176) 10.206 10.394 ( 5.212 3.536 -3.760) 7.335 10.437 ( 0.972 2.133 -6.457) 6.870 10.764 ( 2.963 1.847 7.678) 8.434 10.812 ( 1.962 -0.366 4.543) 4.962 11.405 ( -5.679 -0.932 1.916) 6.065 11.532 ( -9.492 -6.661 -0.680) 11.616 12.048 ( 2.175 4.602 -1.355) 5.267 12.152 ( 1.910 0.841 3.453) 4.034 13.115 ( 2.663 4.355 0.199) 5.109 13.190 ( 6.958 6.494 -0.938) 9.563 13.332 ( -6.933 -0.559 6.680) 9.644 13.492 ( -4.587 -2.390 -2.181) 5.614 15.378 ( 10.299 4.786 -6.142) 12.912 15.513 ( 3.471 -4.256 -3.594) 6.563 15.850 ( 1.014 5.930 -0.104) 6.017 16.061 ( 4.393 8.596 0.804) 9.687 16.290 ( 0.703 -5.253 -9.126) 10.553 16.691 ( 9.350 3.849 -0.297) 10.116 16.730 ( 11.407 -8.657 7.698) 16.258 17.147 ( 4.449 -10.140 -1.464) 11.169 17.697 ( -0.891 11.470 6.576) 13.251 17.904 ( -3.051 13.673 -6.096) 15.278 18.370 ( -12.394 0.555 14.932) 19.414 19.089 ( -16.608 -21.054 -10.614) 28.840 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.463 7.129 1.611) 10.445 1.852 ( -6.091 3.261 -4.393) 8.188 2.043 ( -0.741 4.259 -7.347) 8.524 2.248 ( 2.093 -0.976 -7.970) 8.298 2.360 ( -0.066 4.130 5.219) 6.655 2.404 ( -0.726 1.445 -2.574) 3.040 2.606 ( -1.787 -4.693 -0.007) 5.022 2.737 ( -1.200 -7.233 -5.262) 9.025 3.001 ( -2.649 5.952 0.120) 6.516 3.173 ( -0.287 1.470 4.170) 4.431 3.267 ( -3.443 1.052 -6.595) 7.514 3.342 ( -1.434 -1.929 4.840) 5.404 3.920 ( 2.616 -0.321 0.219) 2.644 4.086 ( 0.047 -1.141 1.634) 1.993 4.231 ( -0.823 -6.269 4.771) 7.921 4.478 ( -3.075 -5.932 3.484) 7.536 4.539 ( 0.984 1.170 6.622) 6.796 4.615 ( 0.829 -3.459 4.283) 5.568 5.355 ( -4.752 -1.717 -1.123) 5.176 5.416 ( -7.110 -4.845 -1.985) 8.829 6.267 ( -4.708 0.631 -3.639) 5.984 6.544 ( -1.488 -7.204 1.255) 7.463 6.732 ( 4.147 -2.201 0.749) 4.754 6.913 ( 4.880 -5.610 -1.332) 7.553 7.372 ( -1.621 3.581 -1.547) 4.225 7.613 ( -1.605 -5.196 -1.599) 5.668 7.782 ( -0.842 -1.325 -1.652) 2.279 7.814 ( -3.364 0.276 1.798) 3.824 8.426 ( 0.880 0.503 9.420) 9.475 8.525 ( 4.247 -3.562 3.074) 6.338 9.124 ( 2.811 3.729 5.006) 6.846 9.173 ( 5.305 2.791 5.934) 8.435 9.588 ( 0.833 2.962 -6.116) 6.846 9.767 ( -0.135 -5.350 -7.634) 9.323 9.891 ( 1.099 6.521 -6.668) 9.391 10.077 ( 6.357 0.119 -1.867) 6.626 10.391 ( 2.627 4.458 -4.958) 7.166 10.450 ( 5.588 1.287 -2.394) 6.214 10.892 ( 2.627 0.921 4.543) 5.328 10.909 ( 2.781 -0.138 6.617) 7.179 11.336 ( -5.353 -2.933 -0.466) 6.122 11.365 ( -7.483 -5.200 -1.001) 9.168 12.054 ( 0.982 6.203 -1.350) 6.423 12.207 ( 0.409 0.418 2.429) 2.498 13.139 ( -0.241 5.537 0.329) 5.552 13.291 ( 3.302 6.171 -0.504) 7.017 13.346 ( -0.864 -0.713 5.044) 5.166 13.392 ( -1.734 -4.028 -0.897) 4.476 15.419 ( 4.046 1.136 -6.235) 7.519 15.527 ( 1.030 -2.891 -1.471) 3.403 15.817 ( 1.688 7.551 -5.139) 9.288 16.153 ( -0.544 -5.662 -3.016) 6.438 16.302 ( 9.031 14.901 5.608) 18.304 16.833 ( 9.532 9.250 -1.831) 13.408 17.082 ( 14.510 -16.011 10.804) 24.158 17.195 ( 3.002 -3.449 -1.017) 4.684 17.681 ( -10.183 16.469 0.951) 19.387 17.770 ( 2.221 10.240 -6.328) 12.241 18.368 ( -8.625 -10.073 13.926) 19.230 18.671 ( -17.575 -20.199 -11.774) 29.249 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -3.222 10.006 0.647) 10.532 1.762 ( -2.568 2.114 -0.181) 3.331 1.963 ( -0.352 4.526 -4.846) 6.640 2.230 ( 2.590 -5.946 -2.304) 6.883 2.343 ( -1.648 1.635 -0.802) 2.456 2.418 ( 0.347 3.407 1.625) 3.790 2.535 ( -3.683 -2.733 -1.326) 4.774 2.694 ( -0.134 -4.409 -1.359) 4.615 2.994 ( 0.746 3.747 2.014) 4.319 3.126 ( -3.514 2.238 -3.701) 5.573 3.227 ( 0.887 5.606 0.463) 5.695 3.355 ( -0.816 -3.054 1.463) 3.483 3.997 ( 3.533 -2.712 2.041) 4.900 4.083 ( -1.105 -1.139 -1.195) 1.986 4.291 ( 2.167 -12.174 3.668) 12.898 4.409 ( -4.285 -11.957 -1.619) 12.805 4.629 ( 0.780 2.328 4.725) 5.325 4.666 ( 0.502 1.380 1.104) 1.837 5.291 ( -1.965 -1.639 -0.690) 2.650 5.323 ( -2.143 -1.625 -0.459) 2.728 6.192 ( -1.334 0.860 -1.020) 1.887 6.533 ( -0.760 -10.907 0.662) 10.954 6.828 ( 4.126 -0.914 1.516) 4.490 6.937 ( 0.178 -1.714 -1.558) 2.323 7.344 ( -0.339 1.974 -0.598) 2.090 7.565 ( -1.373 -3.483 -1.138) 3.913 7.754 ( -0.683 -0.078 -0.532) 0.869 7.795 ( -0.929 0.645 0.786) 1.378 8.506 ( -0.725 0.045 4.385) 4.445 8.597 ( 1.707 -2.502 0.814) 3.136 9.197 ( 1.110 6.120 1.710) 6.451 9.353 ( 6.899 4.562 7.595) 11.229 9.531 ( -2.223 2.712 -3.703) 5.100 9.624 ( -3.585 -2.589 -7.922) 9.073 9.846 ( 0.484 1.653 -2.599) 3.118 10.135 ( 2.139 -2.596 -0.915) 3.486 10.398 ( 1.854 6.003 -1.737) 6.518 10.519 ( 3.270 -1.532 -0.196) 3.616 10.968 ( 1.726 0.879 2.200) 2.931 11.022 ( 2.535 -0.048 4.746) 5.381 11.188 ( -5.598 0.106 -3.822) 6.779 11.303 ( -2.078 -7.167 0.259) 7.467 12.057 ( 0.369 6.338 -0.299) 6.356 12.224 ( -0.120 0.111 0.623) 0.644 13.133 ( -0.645 6.725 0.642) 6.786 13.264 ( -1.720 0.370 -2.068) 2.715 13.351 ( 0.639 3.865 0.967) 4.035 13.462 ( 2.099 -4.951 2.102) 5.774 15.414 ( 1.708 2.020 -2.592) 3.703 15.506 ( -1.252 0.634 -0.581) 1.518 15.819 ( 2.050 3.312 -1.507) 4.176 16.092 ( -1.171 -7.116 -2.126) 7.519 16.529 ( 6.240 18.757 5.610) 20.549 16.935 ( 4.171 12.537 -1.947) 13.355 17.210 ( 2.299 6.284 -1.756) 6.918 17.322 ( -1.021 -4.127 2.212) 4.792 17.620 ( 3.799 -4.774 7.851) 9.943 17.762 ( 2.313 8.447 -4.778) 9.976 18.259 ( -13.957 -19.763 -4.797) 24.666 18.397 ( -2.444 -13.070 2.329) 13.499 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -12.941 0.000) 12.941 1.757 ( 0.000 12.942 0.000) 12.942 2.080 ( 0.000 -16.486 0.000) 16.486 2.080 ( 0.000 16.486 0.000) 16.486 2.767 ( 0.000 -11.597 0.000) 11.597 2.767 ( 0.000 11.597 0.000) 11.597 3.019 ( 0.000 -4.099 0.000) 4.099 3.019 ( 0.000 4.099 0.000) 4.099 3.216 ( 0.000 -2.265 0.000) 2.265 3.216 ( 0.000 2.265 0.000) 2.265 3.353 ( 0.000 -13.087 0.000) 13.087 3.353 ( 0.000 13.087 0.000) 13.087 3.800 ( 0.000 -5.942 0.000) 5.942 3.800 ( 0.000 5.942 0.000) 5.942 4.412 ( 0.000 -3.923 0.000) 3.923 4.412 ( 0.000 3.923 0.000) 3.923 4.431 ( 0.000 -3.271 0.000) 3.271 4.431 ( 0.000 3.271 0.000) 3.271 5.887 ( 0.000 -0.973 0.000) 0.973 5.887 ( 0.000 0.973 0.000) 0.973 6.406 ( 0.000 -8.315 0.000) 8.315 6.406 ( 0.000 8.315 0.000) 8.315 7.135 ( 0.000 -0.655 0.000) 0.655 7.135 ( 0.000 0.655 0.000) 0.655 7.640 ( 0.000 -4.552 0.000) 4.552 7.640 ( 0.000 4.552 0.000) 4.552 7.660 ( 0.000 -3.970 0.000) 3.970 7.660 ( 0.000 3.970 0.000) 3.970 7.875 ( 0.000 -0.077 0.000) 0.077 7.875 ( 0.000 0.077 0.000) 0.077 8.614 ( 0.000 -1.225 0.000) 1.225 8.614 ( 0.000 1.226 0.000) 1.226 9.722 ( 0.000 -3.912 0.000) 3.912 9.722 ( 0.000 3.912 0.000) 3.912 9.965 ( 0.000 -1.682 0.000) 1.682 9.965 ( 0.000 1.682 0.000) 1.682 10.213 ( 0.000 -5.786 0.000) 5.786 10.213 ( 0.000 5.786 0.000) 5.786 10.769 ( 0.000 -0.765 0.000) 0.765 10.769 ( 0.000 0.766 0.000) 0.766 11.709 ( 0.000 -3.076 0.000) 3.076 11.709 ( 0.000 3.076 0.000) 3.076 11.920 ( 0.000 -6.766 0.000) 6.766 11.920 ( 0.000 6.766 0.000) 6.766 13.206 ( 0.000 -9.218 0.000) 9.218 13.206 ( 0.000 9.218 0.000) 9.218 13.503 ( 0.000 -7.029 0.000) 7.029 13.503 ( 0.000 7.029 0.000) 7.029 15.191 ( 0.000 -12.518 0.000) 12.518 15.191 ( 0.000 12.518 0.000) 12.518 15.762 ( 0.000 -13.505 0.000) 13.505 15.762 ( 0.000 13.506 0.000) 13.506 16.526 ( 0.000 -3.059 0.000) 3.059 16.526 ( 0.000 3.059 0.000) 3.059 16.907 ( 0.000 -3.043 0.000) 3.043 16.907 ( 0.000 3.043 0.000) 3.043 17.567 ( 0.000 -6.451 0.000) 6.451 17.567 ( 0.000 6.451 0.000) 6.451 19.236 ( 0.000 -26.669 0.000) 26.669 19.236 ( 0.000 26.669 0.000) 26.669 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 8.288 -10.237 3.100) 13.531 1.854 ( 8.288 10.237 3.100) 13.531 2.106 ( 1.498 -13.723 1.847) 13.928 2.106 ( 1.498 13.724 1.847) 13.928 2.731 ( -0.458 -13.784 -5.806) 14.964 2.731 ( -0.458 13.784 -5.806) 14.964 2.908 ( -9.718 -6.560 -3.065) 12.119 2.908 ( -9.718 6.560 -3.065) 12.119 3.106 ( -4.513 -2.162 -4.138) 6.493 3.106 ( -4.513 2.163 -4.138) 6.494 3.432 ( 2.523 -10.636 1.202) 10.997 3.432 ( 2.523 10.636 1.202) 10.997 3.889 ( 2.175 -4.206 11.941) 12.845 3.889 ( 2.175 4.206 11.941) 12.845 4.308 ( -4.582 -5.392 -4.291) 8.275 4.308 ( -4.582 5.392 -4.291) 8.275 4.478 ( -0.875 -5.087 2.864) 5.904 4.478 ( -0.875 5.088 2.864) 5.904 5.830 ( -5.224 -1.391 -2.430) 5.927 5.830 ( -5.224 1.391 -2.430) 5.927 6.425 ( 2.128 -7.452 0.477) 7.765 6.425 ( 2.128 7.452 0.477) 7.765 6.981 ( -12.018 -1.371 -2.674) 12.388 6.981 ( -12.018 1.371 -2.674) 12.388 7.595 ( -0.728 -0.902 -4.698) 4.839 7.595 ( -0.728 0.902 -4.698) 4.839 7.800 ( 4.954 -3.892 6.136) 8.795 7.800 ( 4.954 3.892 6.136) 8.795 7.920 ( 6.552 -2.118 0.666) 6.918 7.920 ( 6.552 2.118 0.666) 6.918 8.689 ( 5.979 -2.038 3.539) 7.240 8.689 ( 5.979 2.038 3.539) 7.240 9.682 ( -2.060 -2.835 -0.545) 3.547 9.682 ( -2.060 2.835 -0.545) 3.547 9.987 ( 4.026 -2.456 -4.415) 6.459 9.987 ( 4.026 2.456 -4.415) 6.459 10.289 ( 6.254 -5.172 2.575) 8.514 10.289 ( 6.254 5.172 2.575) 8.514 10.750 ( -1.535 -0.642 -0.600) 1.769 10.750 ( -1.535 0.642 -0.600) 1.769 11.663 ( -6.462 -4.255 2.201) 8.045 11.663 ( -6.462 4.256 2.201) 8.045 11.961 ( 4.585 -5.124 -0.176) 6.878 11.961 ( 4.585 5.124 -0.176) 6.879 13.183 ( -0.383 -6.574 -2.704) 7.119 13.183 ( -0.383 6.574 -2.704) 7.119 13.497 ( -2.864 -5.767 3.031) 7.116 13.497 ( -2.864 5.767 3.031) 7.117 15.258 ( 8.498 -10.372 -2.095) 13.571 15.258 ( 8.498 10.372 -2.095) 13.572 15.795 ( 1.808 -12.860 3.526) 13.457 15.795 ( 1.808 12.860 3.526) 13.457 16.489 ( 0.564 -3.867 -7.470) 8.430 16.489 ( 0.564 3.867 -7.470) 8.431 16.862 ( -0.564 -7.293 -4.332) 8.501 16.862 ( -0.564 7.293 -4.332) 8.501 17.653 ( 1.435 -7.140 10.861) 13.077 17.653 ( 1.435 7.140 10.861) 13.077 19.162 ( -6.862 -26.074 -2.832) 27.110 19.162 ( -6.862 26.074 -2.832) 27.110 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 4.519 -4.304 1.259) 6.366 2.021 ( 4.519 4.304 1.259) 6.366 2.171 ( 5.089 -6.505 1.952) 8.487 2.171 ( 5.088 6.506 1.952) 8.487 2.611 ( -6.133 -11.544 -7.775) 15.210 2.611 ( -6.133 11.545 -7.775) 15.210 2.702 ( -6.314 -7.574 -4.818) 10.974 2.702 ( -6.314 7.574 -4.818) 10.974 3.031 ( -2.160 -2.876 1.950) 4.092 3.031 ( -2.160 2.877 1.951) 4.092 3.440 ( -1.008 -7.349 -1.058) 7.493 3.440 ( -1.008 7.349 -1.058) 7.493 4.052 ( -1.658 -3.008 7.119) 7.904 4.052 ( -1.658 3.008 7.119) 7.905 4.232 ( 0.193 -5.833 4.918) 7.632 4.232 ( 0.193 5.833 4.918) 7.632 4.458 ( -4.144 -6.813 1.303) 8.080 4.458 ( -4.144 6.813 1.303) 8.080 5.669 ( -8.922 -2.199 -3.962) 10.007 5.669 ( -8.922 2.199 -3.962) 10.007 6.484 ( 2.832 -6.345 1.396) 7.087 6.484 ( 2.832 6.345 1.396) 7.088 6.763 ( -8.462 -2.433 -3.683) 9.544 6.763 ( -8.462 2.433 -3.683) 9.544 7.539 ( -0.371 -2.200 -3.155) 3.864 7.539 ( -0.371 2.201 -3.155) 3.864 7.849 ( -1.220 -1.758 1.116) 2.413 7.849 ( -1.220 1.759 1.116) 2.413 8.116 ( 9.104 -1.734 5.651) 10.854 8.116 ( 9.104 1.734 5.651) 10.854 8.858 ( 7.238 -1.540 5.415) 9.170 8.858 ( 7.238 1.540 5.415) 9.170 9.681 ( 2.399 -0.192 -0.530) 2.464 9.681 ( 2.399 0.192 -0.530) 2.465 9.992 ( 5.290 -5.271 -7.832) 10.822 9.992 ( 5.290 5.271 -7.832) 10.822 10.415 ( 5.871 -3.062 -0.912) 6.685 10.415 ( 5.871 3.063 -0.912) 6.685 10.731 ( -0.974 -1.499 2.685) 3.226 10.731 ( -0.974 1.499 2.685) 3.226 11.557 ( -8.368 -4.561 1.524) 9.651 11.557 ( -8.368 4.561 1.524) 9.651 12.051 ( 4.889 -2.916 1.094) 5.797 12.051 ( 4.889 2.916 1.094) 5.797 13.157 ( 0.516 -2.833 -1.152) 3.102 13.157 ( 0.516 2.833 -1.152) 3.102 13.472 ( -3.953 -5.598 2.418) 7.267 13.472 ( -3.953 5.598 2.418) 7.267 15.380 ( 9.511 -5.408 -5.127) 12.083 15.380 ( 9.511 5.408 -5.127) 12.083 15.908 ( 5.016 -11.456 6.127) 13.926 15.908 ( 5.016 11.456 6.127) 13.926 16.397 ( 1.908 -6.410 -10.128) 12.137 16.397 ( 1.908 6.410 -10.128) 12.137 16.843 ( 2.878 -11.334 -1.892) 11.845 16.843 ( 2.878 11.334 -1.892) 11.845 17.807 ( 0.460 -8.222 12.160) 14.686 17.807 ( 0.460 8.222 12.160) 14.686 18.951 ( -12.870 -24.245 -4.926) 27.888 18.951 ( -12.870 24.245 -4.926) 27.888 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -6.322 -7.574 -1.217) 9.941 1.985 ( -6.322 7.574 -1.217) 9.941 2.272 ( 3.545 -6.589 -7.383) 10.512 2.272 ( 3.546 6.589 -7.383) 10.512 2.421 ( -5.825 -4.011 2.930) 7.656 2.421 ( -5.826 4.012 2.929) 7.656 2.617 ( 1.740 -10.668 -6.832) 12.787 2.617 ( 1.740 10.668 -6.832) 12.787 3.066 ( 0.024 -2.669 5.417) 6.039 3.066 ( 0.024 2.669 5.417) 6.039 3.388 ( -2.711 -3.198 -2.133) 4.704 3.388 ( -2.711 3.199 -2.133) 4.704 4.000 ( -3.691 -4.520 -0.107) 5.837 4.000 ( -3.691 4.520 -0.107) 5.837 4.372 ( -3.796 -10.870 0.720) 11.537 4.372 ( -3.796 10.871 0.720) 11.537 4.416 ( 1.639 -2.104 12.248) 12.535 4.416 ( 1.639 2.104 12.248) 12.535 5.478 ( -8.050 -2.267 -3.373) 9.018 5.478 ( -8.050 2.267 -3.373) 9.018 6.466 ( -6.330 -4.573 -0.723) 7.843 6.466 ( -6.330 4.574 -0.723) 7.843 6.698 ( 5.310 -4.290 -2.027) 7.121 6.698 ( 5.310 4.290 -2.027) 7.121 7.508 ( -0.523 -4.905 -1.558) 5.173 7.508 ( -0.523 4.905 -1.558) 5.173 7.828 ( -2.017 -1.837 0.601) 2.794 7.828 ( -2.017 1.837 0.601) 2.794 8.311 ( 5.401 -2.581 7.350) 9.479 8.311 ( 5.401 2.581 7.350) 9.479 9.031 ( 5.804 -0.422 5.720) 8.160 9.031 ( 5.804 0.422 5.720) 8.160 9.706 ( 3.190 -3.390 -5.441) 7.160 9.706 ( 3.190 3.390 -5.441) 7.160 10.006 ( 5.908 -4.730 -6.091) 9.715 10.006 ( 5.908 4.730 -6.091) 9.715 10.446 ( 3.081 -1.219 -4.923) 5.934 10.446 ( 3.081 1.219 -4.923) 5.934 10.795 ( 1.859 -1.174 6.164) 6.545 10.795 ( 1.859 1.174 6.164) 6.545 11.430 ( -7.959 -3.077 0.521) 8.549 11.430 ( -7.959 3.077 0.521) 8.549 12.130 ( 2.998 -2.779 0.826) 4.170 12.130 ( 2.998 2.779 0.826) 4.170 13.185 ( 1.300 -2.888 3.006) 4.367 13.185 ( 1.299 2.888 3.006) 4.367 13.422 ( -2.959 -4.991 -0.599) 5.833 13.422 ( -2.959 4.991 -0.599) 5.834 15.442 ( 5.566 -2.606 -5.515) 8.257 15.442 ( 5.566 2.606 -5.514) 8.257 16.028 ( 3.201 -8.891 -1.959) 9.651 16.028 ( 3.201 8.891 -1.959) 9.651 16.418 ( 9.004 -14.076 1.888) 16.816 16.418 ( 9.004 14.076 1.888) 16.816 16.911 ( 6.964 -11.222 -1.245) 13.266 16.911 ( 6.964 11.222 -1.245) 13.266 17.921 ( -0.891 -8.388 8.418) 11.917 17.921 ( -0.891 8.388 8.418) 11.917 18.637 ( -17.319 -20.702 -5.307) 27.508 18.637 ( -17.319 20.702 -5.307) 27.508 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.364 -3.375 0.245) 8.104 1.852 ( -7.364 3.375 0.245) 8.104 2.152 ( -1.811 -5.918 -7.455) 9.689 2.152 ( -1.811 5.918 -7.455) 9.689 2.459 ( 1.227 -4.839 0.998) 5.091 2.459 ( 1.227 4.839 0.998) 5.091 2.567 ( -0.601 -7.331 -3.713) 8.239 2.567 ( -0.602 7.331 -3.713) 8.239 3.108 ( -0.550 -4.831 1.744) 5.166 3.108 ( -0.550 4.831 1.744) 5.166 3.326 ( -1.822 -1.586 -0.786) 2.541 3.326 ( -1.822 1.587 -0.786) 2.541 3.985 ( 0.417 -5.894 2.100) 6.271 3.985 ( 0.417 5.894 2.100) 6.271 4.279 ( -5.063 -8.755 -0.894) 10.153 4.279 ( -5.063 8.755 -0.894) 10.153 4.582 ( 1.641 -1.749 9.168) 9.477 4.582 ( 1.641 1.749 9.168) 9.477 5.343 ( -4.543 -1.426 -1.717) 5.061 5.343 ( -4.543 1.426 -1.717) 5.061 6.350 ( -4.790 -7.538 -1.117) 9.000 6.350 ( -4.790 7.538 -1.117) 9.001 6.798 ( 6.695 -5.301 -0.524) 8.556 6.798 ( 6.695 5.301 -0.524) 8.556 7.475 ( -1.563 -6.201 -1.276) 6.521 7.475 ( -1.563 6.201 -1.276) 6.521 7.804 ( -1.531 -1.504 0.679) 2.251 7.804 ( -1.531 1.504 0.679) 2.251 8.457 ( 2.180 -2.513 7.010) 7.760 8.457 ( 2.180 2.513 7.010) 7.760 9.187 ( 5.458 -1.595 5.863) 8.168 9.187 ( 5.458 1.595 5.863) 8.168 9.655 ( 0.638 -4.097 -8.656) 9.597 9.655 ( 0.638 4.097 -8.656) 9.598 10.024 ( 2.623 -4.832 -4.709) 7.239 10.024 ( 2.623 4.832 -4.709) 7.239 10.455 ( 4.049 -1.357 -3.321) 5.410 10.455 ( 4.049 1.358 -3.321) 5.410 10.901 ( 2.617 -0.441 5.500) 6.107 10.901 ( 2.617 0.442 5.500) 6.107 11.309 ( -6.459 -0.567 -0.506) 6.503 11.309 ( -6.459 0.567 -0.506) 6.503 12.168 ( 1.071 -4.036 0.047) 4.176 12.168 ( 1.071 4.036 0.047) 4.176 13.240 ( -1.728 -4.965 5.541) 7.638 13.240 ( -1.728 4.966 5.541) 7.638 13.379 ( 1.309 -1.735 -3.242) 3.903 13.379 ( 1.309 1.736 -3.242) 3.903 15.462 ( 3.199 -2.879 -3.359) 5.460 15.462 ( 3.199 2.879 -3.359) 5.460 15.991 ( -0.320 -8.451 -5.420) 10.045 15.991 ( -0.320 8.451 -5.420) 10.045 16.690 ( 12.547 -19.731 9.072) 25.080 16.690 ( 12.547 19.731 9.072) 25.080 17.037 ( 9.739 -9.671 -1.104) 13.769 17.037 ( 9.739 9.671 -1.104) 13.769 17.948 ( -2.422 -3.729 -0.757) 4.511 17.948 ( -2.422 3.730 -0.757) 4.511 18.289 ( -18.067 -10.937 -0.881) 21.138 18.289 ( -18.067 10.937 -0.881) 21.138 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -3.032 -2.155 1.151) 3.894 1.772 ( -3.032 2.155 1.151) 3.894 2.083 ( 0.636 -6.821 -3.543) 7.712 2.083 ( 0.636 6.821 -3.543) 7.713 2.432 ( -2.176 -5.888 -1.202) 6.391 2.432 ( -2.175 5.888 -1.202) 6.392 2.545 ( 0.207 -7.908 -0.234) 7.915 2.545 ( 0.207 7.909 -0.234) 7.915 3.099 ( -0.478 -4.970 -0.336) 5.004 3.099 ( -0.478 4.970 -0.335) 5.004 3.313 ( -0.079 -2.154 0.319) 2.179 3.313 ( -0.079 2.155 0.319) 2.180 4.031 ( 1.376 -5.670 1.652) 6.064 4.031 ( 1.376 5.670 1.652) 6.064 4.200 ( -2.660 -6.204 -0.812) 6.799 4.200 ( -2.660 6.204 -0.812) 6.799 4.668 ( 0.426 -1.164 3.154) 3.389 4.668 ( 0.426 1.164 3.154) 3.389 5.283 ( -1.382 -1.228 -0.491) 1.913 5.283 ( -1.382 1.229 -0.491) 1.914 6.294 ( -1.376 -8.985 -0.106) 9.090 6.294 ( -1.376 8.985 -0.106) 9.090 6.880 ( 2.919 -3.490 -0.113) 4.551 6.880 ( 2.919 3.490 -0.113) 4.551 7.437 ( -1.132 -6.325 -0.701) 6.463 7.437 ( -1.132 6.325 -0.701) 6.464 7.793 ( -0.550 -1.431 0.302) 1.563 7.793 ( -0.550 1.431 0.302) 1.563 8.534 ( 0.353 -2.586 2.855) 3.868 8.534 ( 0.353 2.587 2.855) 3.869 9.344 ( 4.482 -5.943 6.071) 9.605 9.344 ( 4.482 5.943 6.071) 9.606 9.549 ( -2.017 -1.094 -7.114) 7.475 9.549 ( -2.017 1.094 -7.114) 7.475 9.998 ( 0.174 -8.869 -2.470) 9.209 9.998 ( 0.174 8.870 -2.470) 9.209 10.491 ( 2.245 -2.463 -0.989) 3.477 10.491 ( 2.245 2.463 -0.989) 3.477 10.994 ( 2.080 -1.766 3.041) 4.086 10.994 ( 2.080 1.766 3.041) 4.086 11.211 ( -3.516 -2.269 -1.163) 4.343 11.211 ( -3.516 2.269 -1.163) 4.343 12.176 ( 0.194 -4.437 -0.080) 4.442 12.176 ( 0.195 4.438 -0.079) 4.443 13.240 ( -1.955 -3.325 1.623) 4.184 13.240 ( -1.955 3.325 1.623) 4.185 13.394 ( 1.857 -1.783 -0.741) 2.678 13.394 ( 1.856 1.783 -0.740) 2.678 15.476 ( 1.248 -3.036 -1.010) 3.434 15.476 ( 1.248 3.036 -1.010) 3.434 15.937 ( -0.503 -7.203 -2.171) 7.540 15.937 ( -0.503 7.203 -2.171) 7.540 16.927 ( 4.619 -17.160 3.899) 18.193 16.927 ( 4.619 17.160 3.899) 18.193 17.229 ( 11.023 -9.414 2.816) 14.766 17.229 ( 11.023 9.414 2.816) 14.766 17.768 ( -9.583 -14.805 -7.736) 19.258 17.768 ( -9.583 14.805 -7.736) 19.258 18.117 ( -5.127 -11.711 3.372) 13.221 18.117 ( -5.127 11.711 3.372) 13.221 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -21.435 0.000 22.648) 31.183 0.569 ( -4.598 0.000 26.669) 27.063 0.938 ( 9.160 0.000 41.133) 42.140 2.027 ( 8.685 0.000 0.711) 8.714 2.374 ( 8.059 0.000 -14.155) 16.288 2.673 ( -0.531 0.000 -16.714) 16.723 2.806 ( 2.161 0.000 2.845) 3.573 2.890 ( -6.565 0.000 4.553) 7.990 3.121 ( 3.379 0.000 1.609) 3.743 3.503 ( -3.109 0.000 -2.800) 4.184 3.580 ( 0.351 0.000 -0.638) 0.728 3.895 ( 0.716 0.000 6.388) 6.428 4.001 ( -0.340 0.000 2.369) 2.393 4.082 ( -1.675 0.000 1.728) 2.406 4.179 ( -3.810 0.000 3.477) 5.158 4.358 ( -1.476 0.000 -3.614) 3.904 4.396 ( -1.825 0.000 4.804) 5.139 4.951 ( 0.430 0.000 -2.089) 2.133 6.143 ( 1.216 0.000 -3.132) 3.360 6.612 ( 0.012 0.000 -11.082) 11.082 6.639 ( -2.577 0.000 -3.275) 4.167 6.953 ( 12.886 0.000 -7.535) 14.927 7.173 ( -1.648 0.000 -4.261) 4.568 7.178 ( -7.674 0.000 -5.969) 9.722 7.394 ( 2.138 0.000 -1.417) 2.565 7.842 ( 10.788 0.000 -0.097) 10.789 7.914 ( -11.508 0.000 -7.729) 13.862 8.075 ( -8.816 0.000 7.948) 11.870 8.110 ( -0.944 0.000 -1.681) 1.928 8.385 ( 4.461 0.000 3.444) 5.636 8.553 ( 1.617 0.000 17.604) 17.678 8.914 ( 10.556 0.000 16.535) 19.617 8.972 ( 3.581 0.000 8.504) 9.227 9.163 ( 1.182 0.000 4.064) 4.232 9.649 ( -9.508 0.000 -5.637) 11.053 10.099 ( -0.240 0.000 -6.462) 6.466 10.176 ( 1.029 0.000 -11.291) 11.338 10.298 ( -3.864 0.000 -3.057) 4.927 10.334 ( 8.263 0.000 5.822) 10.108 10.595 ( -5.983 0.000 2.805) 6.608 11.669 ( 1.197 0.000 -0.370) 1.253 11.776 ( 2.660 0.000 9.668) 10.028 12.218 ( 1.334 0.000 4.642) 4.830 12.246 ( -3.581 0.000 -5.270) 6.371 12.551 ( 2.358 0.000 -3.328) 4.079 12.811 ( 0.375 0.000 -5.841) 5.853 13.494 ( -4.233 0.000 3.118) 5.258 14.029 ( 9.441 0.000 -7.665) 12.161 14.446 ( -12.357 0.000 10.488) 16.208 15.549 ( 3.224 0.000 5.751) 6.593 15.821 ( 3.429 0.000 -11.994) 12.475 16.365 ( 1.758 0.000 3.203) 3.654 16.493 ( -1.618 0.000 1.791) 2.414 16.585 ( -3.631 0.000 3.709) 5.190 16.839 ( -0.656 0.000 1.910) 2.019 16.986 ( -2.435 0.000 -23.537) 23.663 17.136 ( 3.741 0.000 -3.211) 4.930 17.156 ( 1.312 0.000 -3.846) 4.064 18.491 ( 0.060 0.000 28.457) 28.457 20.486 ( -0.238 0.000 -10.303) 10.306 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 11.192 0.000 12.046) 16.443 0.892 ( 7.549 0.000 23.547) 24.727 1.583 ( 17.168 0.000 28.140) 32.964 2.214 ( 13.275 0.000 -8.608) 15.821 2.363 ( 3.767 0.000 -2.130) 4.327 2.477 ( 0.000 0.000 -17.856) 17.856 2.808 ( -8.641 0.000 7.568) 11.486 2.843 ( -2.316 0.000 3.628) 4.304 3.143 ( -2.392 0.000 -2.885) 3.748 3.335 ( -7.456 0.000 -4.482) 8.700 3.592 ( -1.210 0.000 3.271) 3.488 3.933 ( 0.619 0.000 -0.601) 0.863 3.990 ( -2.764 0.000 -1.687) 3.238 4.111 ( -1.057 0.000 1.279) 1.660 4.139 ( -4.851 0.000 4.891) 6.888 4.274 ( -2.727 0.000 -0.042) 2.727 4.455 ( 0.782 0.000 7.510) 7.550 4.946 ( 2.044 0.000 -2.498) 3.227 5.997 ( -13.715 0.000 -0.967) 13.749 6.428 ( -7.965 0.000 -10.229) 12.964 6.528 ( -1.632 0.000 -9.394) 9.535 6.871 ( -7.341 0.000 -8.203) 11.009 7.007 ( -5.845 0.000 -2.993) 6.567 7.249 ( 10.939 0.000 1.531) 11.046 7.483 ( 7.924 0.000 -1.489) 8.063 7.709 ( -4.566 0.000 -6.418) 7.876 8.030 ( -2.523 0.000 2.100) 3.283 8.058 ( 11.663 0.000 3.257) 12.109 8.063 ( -1.353 0.000 -1.926) 2.354 8.515 ( 4.295 0.000 4.475) 6.202 8.849 ( 7.917 0.000 18.507) 20.129 9.095 ( 3.374 0.000 5.914) 6.809 9.242 ( -2.445 0.000 5.100) 5.656 9.321 ( 7.532 0.000 19.403) 20.814 9.384 ( -7.936 0.000 -5.676) 9.757 9.994 ( -0.931 0.000 -9.267) 9.313 10.090 ( 4.337 0.000 -11.373) 12.172 10.186 ( -2.610 0.000 -5.774) 6.337 10.533 ( -3.653 0.000 0.978) 3.781 10.548 ( 7.510 0.000 6.844) 10.161 11.684 ( 0.876 0.000 3.911) 4.008 11.943 ( 3.182 0.000 9.547) 10.063 12.071 ( -6.905 0.000 -9.217) 11.516 12.284 ( -0.277 0.000 4.918) 4.926 12.544 ( 1.498 0.000 -3.600) 3.899 12.705 ( -3.907 0.000 -7.887) 8.802 13.453 ( -3.647 0.000 1.239) 3.851 14.008 ( -2.298 0.000 -4.788) 5.311 14.506 ( 5.234 0.000 9.680) 11.005 15.693 ( 3.522 0.000 7.296) 8.102 15.721 ( 1.222 0.000 -12.219) 12.280 16.441 ( -2.829 0.000 -8.558) 9.014 16.465 ( 3.704 0.000 5.639) 6.747 16.544 ( -4.136 0.000 4.597) 6.184 16.727 ( -2.115 0.000 -12.738) 12.913 16.852 ( -0.461 0.000 2.704) 2.743 17.144 ( 2.798 0.000 -3.547) 4.518 17.229 ( 12.445 0.000 -7.270) 14.413 18.795 ( -3.299 0.000 29.631) 29.815 20.284 ( -6.500 0.000 -15.195) 16.527 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 16.509 0.000 3.426) 16.861 1.311 ( 12.585 0.000 20.063) 23.684 1.999 ( 4.531 0.000 3.859) 5.952 2.198 ( -0.176 0.000 -7.978) 7.980 2.271 ( 2.403 0.000 -17.597) 17.760 2.385 ( 0.787 0.000 -6.733) 6.779 2.795 ( -5.987 0.000 4.314) 7.379 2.899 ( 1.657 0.000 14.398) 14.493 2.990 ( -8.585 0.000 0.348) 8.592 3.219 ( -3.928 0.000 -4.844) 6.237 3.617 ( -1.943 0.000 5.526) 5.857 3.877 ( -5.456 0.000 -7.717) 9.451 3.915 ( -1.681 0.000 1.610) 2.328 4.030 ( 1.708 0.000 -5.732) 5.981 4.159 ( -1.121 0.000 6.603) 6.697 4.332 ( 0.114 0.000 8.900) 8.901 4.578 ( 3.045 0.000 8.069) 8.625 4.963 ( 3.625 0.000 -2.954) 4.676 5.735 ( -16.777 0.000 1.857) 16.880 6.123 ( -15.799 0.000 -7.682) 17.568 6.392 ( 0.262 0.000 -12.178) 12.180 6.683 ( -4.036 0.000 -7.117) 8.182 6.917 ( -4.527 0.000 1.890) 4.906 7.470 ( 7.206 0.000 9.040) 11.561 7.550 ( 0.970 0.000 -2.362) 2.553 7.574 ( -5.426 0.000 -3.450) 6.430 8.020 ( 5.118 0.000 -6.528) 8.295 8.060 ( 3.578 0.000 -0.187) 3.583 8.311 ( 12.101 0.000 4.386) 12.872 8.592 ( -1.231 0.000 4.260) 4.435 8.933 ( -13.065 0.000 -5.691) 14.251 9.166 ( -0.983 0.000 1.972) 2.203 9.286 ( 9.409 0.000 15.722) 18.322 9.440 ( 5.693 0.000 2.750) 6.322 9.491 ( -3.434 0.000 2.996) 4.558 9.930 ( 1.623 0.000 -1.727) 2.370 10.072 ( 5.969 0.000 -7.380) 9.492 10.138 ( 4.781 0.000 -2.714) 5.497 10.507 ( 1.081 0.000 -0.890) 1.400 10.721 ( 5.096 0.000 5.082) 7.197 11.798 ( 3.341 0.000 8.292) 8.939 11.829 ( -8.677 0.000 -10.062) 13.286 12.097 ( 1.609 0.000 10.870) 10.989 12.321 ( 0.340 0.000 2.902) 2.922 12.470 ( -9.480 0.000 -3.382) 10.065 12.567 ( 3.519 0.000 -9.497) 10.128 13.395 ( -3.792 0.000 -0.728) 3.862 13.914 ( -3.929 0.000 -1.393) 4.169 14.769 ( 12.083 0.000 9.243) 15.213 15.603 ( -0.853 0.000 -8.670) 8.712 15.796 ( -0.116 0.000 5.825) 5.826 16.253 ( 0.069 0.000 -16.977) 16.977 16.536 ( -3.130 0.000 1.514) 3.477 16.548 ( -1.877 0.000 3.379) 3.865 16.619 ( -2.488 0.000 0.186) 2.495 16.894 ( 1.211 0.000 1.936) 2.283 17.230 ( 10.712 0.000 2.869) 11.090 17.365 ( 15.367 0.000 -10.305) 18.503 19.029 ( -7.428 0.000 27.548) 28.532 19.943 ( -10.937 0.000 -18.635) 21.607 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 5.215 0.000 -3.337) 6.191 1.725 ( 10.848 0.000 14.703) 18.272 1.807 ( -8.244 0.000 -11.250) 13.947 2.111 ( -2.671 0.000 1.725) 3.180 2.259 ( 10.833 0.000 -13.612) 17.397 2.296 ( 0.084 0.000 -8.091) 8.091 2.720 ( -7.028 0.000 3.061) 7.666 2.878 ( -10.354 0.000 3.420) 10.904 3.055 ( -5.445 0.000 -7.476) 9.249 3.082 ( 0.077 0.000 10.490) 10.491 3.612 ( -10.844 0.000 -11.427) 15.753 3.650 ( -1.877 0.000 6.605) 6.867 4.042 ( 7.879 0.000 8.158) 11.341 4.072 ( 7.752 0.000 -3.772) 8.621 4.235 ( 1.431 0.000 6.228) 6.390 4.417 ( -0.060 0.000 5.408) 5.408 4.728 ( 4.294 0.000 7.346) 8.509 4.996 ( 4.880 0.000 -3.975) 6.294 5.510 ( -13.225 0.000 3.334) 13.638 5.758 ( -17.546 0.000 -6.715) 18.787 6.276 ( -0.311 0.000 -7.809) 7.815 6.568 ( -2.341 0.000 -4.577) 5.140 6.886 ( -3.547 0.000 3.828) 5.219 7.453 ( -5.608 0.000 -1.342) 5.767 7.467 ( -5.315 0.000 -3.439) 6.331 7.654 ( 1.423 0.000 9.495) 9.601 8.073 ( 10.021 0.000 -5.837) 11.597 8.179 ( 7.973 0.000 2.498) 8.355 8.526 ( 9.321 0.000 0.716) 9.348 8.563 ( -8.097 0.000 1.126) 8.175 8.652 ( -9.381 0.000 -4.156) 10.261 9.090 ( -6.589 0.000 -3.766) 7.590 9.405 ( -3.484 0.000 -2.309) 4.180 9.537 ( 5.350 0.000 -1.179) 5.479 9.603 ( 8.188 0.000 10.807) 13.558 9.932 ( 0.043 0.000 -2.095) 2.095 10.109 ( 5.170 0.000 -3.223) 6.093 10.324 ( 14.990 0.000 5.167) 15.855 10.552 ( 4.340 0.000 -0.317) 4.352 10.829 ( 2.908 0.000 2.098) 3.586 11.572 ( -9.252 0.000 -8.475) 12.547 11.922 ( 0.709 0.000 6.300) 6.340 12.186 ( -4.822 0.000 7.320) 8.765 12.227 ( -11.711 0.000 -5.723) 13.035 12.443 ( 9.001 0.000 6.781) 11.269 12.557 ( 5.130 0.000 -6.876) 8.578 13.313 ( -4.358 0.000 -1.056) 4.484 13.850 ( -2.650 0.000 -0.662) 2.732 15.086 ( 12.617 0.000 9.380) 15.722 15.507 ( -1.770 0.000 -4.556) 4.888 15.838 ( -1.798 0.000 5.751) 6.026 16.108 ( 4.121 0.000 -14.098) 14.688 16.462 ( -3.565 0.000 -2.824) 4.548 16.478 ( -7.850 0.000 0.014) 7.850 16.624 ( -3.066 0.000 6.464) 7.154 16.901 ( 0.200 0.000 -1.944) 1.954 17.503 ( 16.747 0.000 -13.189) 21.317 17.563 ( 17.577 0.000 10.243) 20.344 19.157 ( -11.570 0.000 23.353) 26.062 19.525 ( -12.383 0.000 -19.831) 23.379 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -7.169 0.000 2.312) 7.532 1.666 ( 2.339 0.000 -8.538) 8.852 1.839 ( -5.832 0.000 2.937) 6.530 2.199 ( 2.185 0.000 -5.157) 5.601 2.290 ( 10.051 0.000 -11.157) 15.017 2.332 ( 11.589 0.000 10.783) 15.829 2.656 ( -4.269 0.000 4.770) 6.402 2.728 ( -10.099 0.000 3.071) 10.556 2.919 ( -1.712 0.000 -5.960) 6.201 3.075 ( -10.214 0.000 -0.099) 10.214 3.329 ( -7.901 0.000 -5.577) 9.671 3.689 ( -2.757 0.000 6.301) 6.878 4.170 ( 8.510 0.000 -4.038) 9.419 4.234 ( 5.535 0.000 2.260) 5.979 4.344 ( 3.830 0.000 4.054) 5.577 4.443 ( -0.410 0.000 -0.479) 0.630 4.877 ( 4.644 0.000 5.398) 7.120 5.033 ( 5.647 0.000 -5.252) 7.712 5.368 ( -9.063 0.000 4.080) 9.939 5.408 ( -14.950 0.000 -6.164) 16.171 6.218 ( -0.501 0.000 -0.676) 0.842 6.501 ( -1.776 0.000 -0.787) 1.943 6.867 ( -3.421 0.000 2.682) 4.347 7.353 ( -3.507 0.000 -1.894) 3.986 7.360 ( -4.561 0.000 -0.278) 4.570 7.726 ( -0.327 0.000 2.569) 2.589 8.206 ( 7.857 0.000 0.377) 7.866 8.342 ( 6.399 0.000 3.738) 7.411 8.356 ( -9.576 0.000 -2.969) 10.025 8.562 ( -3.264 0.000 0.181) 3.269 8.633 ( 6.022 0.000 -3.113) 6.779 8.912 ( -7.595 0.000 -4.349) 8.752 9.355 ( -0.340 0.000 -1.713) 1.747 9.612 ( 4.519 0.000 0.219) 4.525 9.784 ( 3.009 0.000 4.996) 5.832 9.910 ( 1.724 0.000 -2.962) 3.427 10.165 ( 3.656 0.000 -0.353) 3.673 10.618 ( 3.351 0.000 0.030) 3.351 10.685 ( 18.435 0.000 4.709) 19.027 10.868 ( 0.830 0.000 1.158) 1.425 11.340 ( -8.884 0.000 -5.293) 10.341 11.966 ( -1.291 0.000 2.859) 3.137 11.976 ( -9.613 0.000 -6.195) 11.436 12.143 ( -5.438 0.000 2.070) 5.819 12.578 ( 5.106 0.000 -4.592) 6.867 12.677 ( 6.754 0.000 7.214) 9.882 13.248 ( -3.312 0.000 1.875) 3.806 13.802 ( -1.650 0.000 -1.836) 2.468 15.372 ( 8.288 0.000 9.219) 12.397 15.440 ( -1.152 0.000 -2.336) 2.605 15.893 ( 0.253 0.000 7.009) 7.013 16.084 ( 6.817 0.000 -6.665) 9.534 16.307 ( -10.680 0.000 -2.394) 10.945 16.378 ( -3.125 0.000 -0.816) 3.229 16.633 ( -3.760 0.000 5.720) 6.845 16.885 ( 0.700 0.000 -2.868) 2.952 17.625 ( 16.813 0.000 -14.960) 22.505 17.957 ( 14.008 0.000 8.651) 16.464 19.130 ( -8.279 0.000 -16.441) 18.408 19.167 ( -14.877 0.000 17.992) 23.346 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -2.951 0.000 16.538) 16.799 1.695 ( 10.139 0.000 -0.308) 10.144 1.736 ( -7.667 0.000 0.826) 7.711 2.184 ( 5.571 0.000 -7.007) 8.952 2.360 ( 10.563 0.000 -6.745) 12.533 2.542 ( 0.008 0.000 5.597) 5.597 2.594 ( -9.030 0.000 -0.557) 9.047 2.716 ( -12.406 0.000 -1.431) 12.488 2.822 ( 2.301 0.000 1.734) 2.882 2.891 ( 3.670 0.000 -1.495) 3.963 3.281 ( 0.977 0.000 5.893) 5.974 3.690 ( -4.449 0.000 4.464) 6.302 4.246 ( 5.971 0.000 -4.191) 7.295 4.264 ( 0.294 0.000 -5.947) 5.954 4.383 ( -1.691 0.000 -1.639) 2.355 4.385 ( -1.669 0.000 -7.102) 7.295 4.957 ( -1.970 0.000 -1.419) 2.428 5.065 ( 5.880 0.000 -6.395) 8.688 5.185 ( -2.155 0.000 -0.870) 2.324 5.283 ( -6.644 0.000 3.552) 7.534 6.258 ( 1.483 0.000 6.744) 6.905 6.503 ( 0.170 0.000 3.610) 3.613 6.831 ( -2.567 0.000 0.231) 2.577 7.289 ( -3.074 0.000 -1.306) 3.340 7.315 ( -0.226 0.000 0.291) 0.369 7.715 ( -0.776 0.000 -2.787) 2.893 8.236 ( -1.663 0.000 -0.823) 1.856 8.296 ( 2.055 0.000 0.233) 2.068 8.449 ( 0.200 0.000 2.613) 2.621 8.524 ( -0.913 0.000 1.694) 1.925 8.709 ( 6.089 0.000 -0.323) 6.098 8.773 ( -3.144 0.000 -3.184) 4.475 9.337 ( 0.430 0.000 -2.046) 2.090 9.674 ( 0.882 0.000 1.287) 1.560 9.830 ( -1.133 0.000 1.307) 1.730 9.938 ( 3.599 0.000 -0.242) 3.607 10.219 ( 1.825 0.000 1.854) 2.601 10.662 ( 1.525 0.000 0.788) 1.716 10.758 ( 0.215 0.000 -10.872) 10.874 11.086 ( 3.188 0.000 7.271) 7.940 11.182 ( 0.378 0.000 3.187) 3.209 11.807 ( -1.256 0.000 -5.280) 5.427 11.949 ( -2.516 0.000 -0.388) 2.546 12.071 ( -3.487 0.000 -1.375) 3.748 12.624 ( 4.500 0.000 -1.495) 4.742 12.773 ( -1.926 0.000 1.815) 2.646 13.258 ( -0.876 0.000 6.037) 6.100 13.757 ( -0.154 0.000 -3.108) 3.112 15.421 ( 0.874 0.000 -0.353) 0.943 15.547 ( -0.600 0.000 9.797) 9.815 15.993 ( -1.617 0.000 5.457) 5.692 16.105 ( -4.707 0.000 -2.835) 5.495 16.158 ( 5.970 0.000 -1.363) 6.124 16.365 ( 0.381 0.000 4.241) 4.258 16.620 ( -4.480 0.000 4.242) 6.170 16.871 ( 1.502 0.000 -2.932) 3.294 17.724 ( 15.372 0.000 -15.476) 21.813 18.088 ( -2.978 0.000 -6.185) 6.864 19.010 ( 8.427 0.000 -0.767) 8.461 19.069 ( -16.871 0.000 11.994) 20.700 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.608 0.000 16.491) 16.696 1.638 ( -2.582 0.000 -0.976) 2.760 1.996 ( 11.197 0.000 14.173) 18.063 2.224 ( 4.389 0.000 -6.000) 7.434 2.315 ( -16.357 0.000 -7.386) 17.948 2.431 ( -3.456 0.000 -6.457) 7.324 2.490 ( 10.781 0.000 -1.847) 10.938 2.599 ( 0.379 0.000 4.647) 4.662 2.932 ( 0.558 0.000 -0.291) 0.629 2.977 ( 5.328 0.000 1.805) 5.626 3.491 ( 9.824 0.000 12.235) 15.691 3.645 ( -5.490 0.000 2.608) 6.078 4.108 ( -4.159 0.000 -14.201) 14.797 4.228 ( -1.630 0.000 -13.667) 13.763 4.267 ( -8.165 0.000 -2.559) 8.557 4.289 ( 1.695 0.000 -0.603) 1.799 4.797 ( -7.812 0.000 -5.373) 9.482 5.078 ( 3.952 0.000 -6.393) 7.516 5.230 ( -2.426 0.000 1.508) 2.857 5.316 ( 11.809 0.000 2.861) 12.151 6.421 ( 4.310 0.000 13.306) 13.986 6.574 ( 2.099 0.000 4.937) 5.364 6.799 ( -0.762 0.000 -0.704) 1.038 7.220 ( -1.110 0.000 -5.173) 5.290 7.347 ( 2.804 0.000 1.183) 3.044 7.646 ( -1.501 0.000 -4.966) 5.187 8.265 ( 4.301 0.000 -1.029) 4.423 8.301 ( -0.128 0.000 -0.989) 0.998 8.409 ( -4.387 0.000 1.617) 4.676 8.579 ( 1.154 0.000 4.998) 5.130 8.684 ( -1.966 0.000 -2.983) 3.573 8.871 ( 7.727 0.000 4.128) 8.760 9.319 ( 0.788 0.000 -2.633) 2.749 9.636 ( -5.183 0.000 -2.653) 5.823 9.788 ( -4.598 0.000 -0.309) 4.608 10.003 ( 2.592 0.000 1.540) 3.015 10.269 ( 0.397 0.000 3.942) 3.962 10.598 ( -5.375 0.000 -8.183) 9.790 10.690 ( -0.742 0.000 2.998) 3.089 10.942 ( -9.496 0.000 -3.234) 10.031 11.451 ( 9.107 0.000 10.499) 13.898 11.853 ( 10.648 0.000 -1.383) 10.737 11.877 ( -3.381 0.000 -3.974) 5.217 11.994 ( -1.450 0.000 -4.989) 5.196 12.667 ( -9.186 0.000 -1.971) 9.395 12.694 ( 3.361 0.000 2.018) 3.920 13.339 ( 0.713 0.000 7.545) 7.579 13.729 ( 1.505 0.000 -3.757) 4.047 15.471 ( 3.320 0.000 2.917) 4.419 15.539 ( -12.990 0.000 6.640) 14.589 15.869 ( -6.079 0.000 0.550) 6.103 16.211 ( 7.706 0.000 3.275) 8.373 16.230 ( 4.149 0.000 -1.094) 4.291 16.486 ( 4.136 0.000 7.482) 8.549 16.593 ( -4.587 0.000 6.179) 7.696 16.863 ( 1.878 0.000 -2.969) 3.513 17.789 ( 12.520 0.000 -14.825) 19.404 17.808 ( -12.102 0.000 -14.654) 19.005 18.877 ( -17.742 0.000 5.448) 18.560 19.306 ( 17.628 0.000 8.392) 19.523 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -7.042 0.000 5.015) 8.645 1.578 ( -7.681 0.000 -4.210) 8.759 1.940 ( -5.733 0.000 -5.353) 7.843 2.244 ( -0.605 0.000 17.758) 17.768 2.350 ( 8.245 0.000 -2.228) 8.541 2.414 ( 7.272 0.000 -8.294) 11.030 2.666 ( 2.007 0.000 2.451) 3.168 2.677 ( 10.537 0.000 3.457) 11.089 2.850 ( -6.139 0.000 -3.983) 7.318 3.093 ( 5.751 0.000 1.927) 6.065 3.565 ( -5.073 0.000 -0.427) 5.091 3.767 ( 7.226 0.000 5.363) 8.999 3.907 ( -2.114 0.000 -6.581) 6.912 4.061 ( 1.979 0.000 -10.707) 10.888 4.095 ( -6.624 0.000 -4.398) 7.951 4.309 ( -1.571 0.000 3.539) 3.872 4.618 ( -7.088 0.000 -4.296) 8.289 5.048 ( -0.237 0.000 -3.803) 3.810 5.259 ( 6.395 0.000 -1.770) 6.635 5.591 ( 17.455 0.000 2.098) 17.581 6.675 ( 3.839 0.000 4.435) 5.866 6.688 ( 5.516 0.000 18.762) 19.556 6.789 ( 0.309 0.000 -0.813) 0.869 7.122 ( 0.075 0.000 -11.110) 11.110 7.430 ( 5.992 0.000 0.057) 5.992 7.585 ( 0.246 0.000 -3.089) 3.098 8.230 ( -4.405 0.000 -3.952) 5.918 8.291 ( 0.089 0.000 -0.167) 0.189 8.436 ( 2.149 0.000 2.924) 3.628 8.600 ( -5.515 0.000 -1.642) 5.754 8.695 ( 5.794 0.000 7.576) 9.538 9.012 ( 4.852 0.000 -0.793) 4.916 9.311 ( 0.457 0.000 -1.308) 1.386 9.425 ( -11.545 0.000 -10.317) 15.483 9.675 ( -8.160 0.000 -0.186) 8.162 10.043 ( 0.620 0.000 1.061) 1.229 10.323 ( -0.103 0.000 5.279) 5.280 10.427 ( -7.862 0.000 -1.192) 7.952 10.703 ( -4.269 0.000 6.568) 7.833 10.760 ( -6.139 0.000 -5.629) 8.329 11.708 ( 9.068 0.000 9.546) 13.166 11.751 ( -3.996 0.000 -7.345) 8.361 11.908 ( 0.070 0.000 -7.378) 7.378 12.064 ( 13.734 0.000 -0.052) 13.734 12.477 ( -10.030 0.000 -1.477) 10.138 12.773 ( 1.416 0.000 4.627) 4.839 13.430 ( 0.542 0.000 6.137) 6.161 13.723 ( 3.112 0.000 -3.992) 5.062 15.305 ( -18.560 0.000 2.684) 18.753 15.593 ( 4.868 0.000 5.899) 7.648 15.831 ( -3.744 0.000 3.807) 5.340 16.286 ( 4.914 0.000 -2.336) 5.441 16.361 ( 6.158 0.000 1.858) 6.432 16.537 ( -1.343 0.000 1.164) 1.777 16.712 ( 1.772 0.000 14.852) 14.957 16.848 ( 0.576 0.000 -4.198) 4.238 17.445 ( -10.926 0.000 -12.650) 16.715 17.817 ( 8.916 0.000 -11.660) 14.678 18.600 ( -18.072 0.000 -1.452) 18.130 19.712 ( 18.662 0.000 8.476) 20.497 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -19.334 0.000 -6.118) 20.279 1.230 ( -22.879 0.000 -3.767) 23.187 2.024 ( 16.435 0.000 -6.019) 17.502 2.122 ( -25.457 0.000 -3.813) 25.741 2.442 ( 5.978 0.000 -6.726) 8.999 2.581 ( -9.485 0.000 -2.854) 9.905 2.584 ( 11.563 0.000 9.036) 14.675 2.802 ( 1.096 0.000 4.190) 4.331 2.930 ( 12.910 0.000 6.987) 14.680 3.169 ( 2.802 0.000 -3.422) 4.423 3.515 ( 0.490 0.000 -1.318) 1.407 3.767 ( 1.711 0.000 -9.714) 9.864 3.939 ( 4.579 0.000 6.286) 7.777 3.977 ( -1.100 0.000 -4.253) 4.393 4.148 ( 7.123 0.000 4.131) 8.234 4.307 ( -4.838 0.000 5.336) 7.203 4.469 ( -6.180 0.000 -1.942) 6.478 5.006 ( -0.735 0.000 -1.656) 1.812 5.408 ( 14.281 0.000 -2.138) 14.440 5.939 ( 21.801 0.000 1.192) 21.834 6.778 ( -0.567 0.000 -1.063) 1.204 6.815 ( 6.548 0.000 5.479) 8.538 6.983 ( 1.519 0.000 -14.739) 14.817 7.002 ( 4.418 0.000 21.193) 21.649 7.523 ( 5.826 0.000 -2.648) 6.399 7.584 ( 2.852 0.000 -2.413) 3.736 8.111 ( -3.973 0.000 -2.593) 4.744 8.306 ( 0.733 0.000 1.591) 1.752 8.459 ( -11.140 0.000 1.890) 11.300 8.469 ( -1.287 0.000 1.938) 2.326 8.941 ( 11.422 0.000 6.283) 13.036 8.997 ( 0.111 0.000 -8.284) 8.285 9.047 ( -16.140 0.000 -11.968) 20.092 9.233 ( -7.597 0.000 -5.284) 9.254 9.525 ( -8.947 0.000 0.243) 8.950 10.077 ( 2.046 0.000 1.888) 2.784 10.329 ( -4.886 0.000 2.554) 5.513 10.383 ( 0.946 0.000 3.565) 3.688 10.603 ( -4.967 0.000 -6.186) 7.933 10.689 ( -8.768 0.000 10.351) 13.566 11.607 ( -1.967 0.000 -7.329) 7.588 11.852 ( 1.850 0.000 -5.082) 5.408 11.967 ( 9.201 0.000 8.523) 12.542 12.276 ( 12.452 0.000 -1.699) 12.567 12.316 ( -7.460 0.000 -1.347) 7.580 12.836 ( -0.571 0.000 4.969) 5.002 13.489 ( -0.554 0.000 4.426) 4.461 13.750 ( 5.642 0.000 -4.046) 6.943 15.032 ( -18.389 0.000 4.757) 18.994 15.742 ( 4.706 0.000 5.195) 7.009 15.779 ( -6.497 0.000 0.974) 6.570 16.347 ( 5.543 0.000 -1.687) 5.795 16.429 ( 0.781 0.000 -1.623) 1.801 16.531 ( -1.280 0.000 1.509) 1.979 16.790 ( -0.385 0.000 -3.643) 3.664 16.904 ( 3.228 0.000 10.815) 11.287 17.223 ( -3.071 0.000 -5.383) 6.197 17.842 ( 4.182 0.000 -2.275) 4.761 18.246 ( -17.135 0.000 -8.803) 19.264 20.092 ( 16.795 0.000 5.512) 17.676 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -22.512 0.000 -6.572) 23.452 0.821 ( -24.512 0.000 3.106) 24.708 1.530 ( -40.064 0.000 1.202) 40.082 2.155 ( 3.248 0.000 -14.287) 14.652 2.321 ( 5.190 0.000 -7.163) 8.845 2.587 ( 5.225 0.000 1.202) 5.362 2.828 ( 6.284 0.000 6.976) 9.389 2.867 ( 0.229 0.000 4.502) 4.508 3.079 ( -1.139 0.000 -8.895) 8.967 3.254 ( 13.330 0.000 4.431) 14.047 3.537 ( 2.920 0.000 -0.271) 2.932 3.730 ( 2.653 0.000 -2.422) 3.592 3.958 ( 1.595 0.000 0.008) 1.595 4.107 ( 3.852 0.000 6.725) 7.750 4.223 ( -5.788 0.000 3.792) 6.920 4.319 ( 3.592 0.000 1.696) 3.972 4.382 ( -3.737 0.000 1.926) 4.204 4.987 ( -0.509 0.000 -0.394) 0.644 5.683 ( 19.789 0.000 -0.666) 19.801 6.328 ( 23.382 0.000 -0.334) 23.384 6.743 ( -1.338 0.000 -2.048) 2.447 6.842 ( 2.639 0.000 -13.373) 13.631 7.031 ( 9.745 0.000 4.629) 10.789 7.264 ( 0.746 0.000 14.545) 14.565 7.544 ( -0.819 0.000 -0.309) 0.875 7.615 ( 5.590 0.000 -4.447) 7.143 8.072 ( 1.446 0.000 -0.629) 1.577 8.280 ( -13.766 0.000 7.054) 15.468 8.367 ( -1.038 0.000 6.916) 6.994 8.437 ( -5.300 0.000 0.874) 5.371 8.624 ( -14.151 0.000 -10.172) 17.428 8.798 ( -8.811 0.000 -16.818) 18.986 9.009 ( -7.668 0.000 -4.306) 8.794 9.160 ( 2.179 0.000 1.663) 2.741 9.486 ( 3.935 0.000 7.323) 8.313 10.134 ( 2.268 0.000 0.596) 2.345 10.295 ( -2.075 0.000 -0.363) 2.106 10.400 ( 0.214 0.000 -4.126) 4.132 10.458 ( -5.226 0.000 -3.506) 6.293 10.664 ( -9.509 0.000 13.298) 16.349 11.551 ( 2.884 0.000 -4.107) 5.018 11.844 ( 0.465 0.000 -1.901) 1.957 12.183 ( 6.552 0.000 5.526) 8.571 12.196 ( -3.962 0.000 -2.624) 4.752 12.436 ( 9.766 0.000 -3.006) 10.218 12.860 ( -1.294 0.000 1.922) 2.317 13.516 ( -1.835 0.000 4.101) 4.493 13.822 ( 8.750 0.000 -4.672) 9.919 14.806 ( -17.866 0.000 8.513) 19.791 15.636 ( -8.186 0.000 -2.928) 8.694 15.844 ( 4.056 0.000 -0.486) 4.085 16.375 ( -1.979 0.000 -2.670) 3.323 16.442 ( 5.096 0.000 2.309) 5.595 16.521 ( -1.478 0.000 0.812) 1.686 16.807 ( 2.479 0.000 2.905) 3.819 17.037 ( 4.761 0.000 0.209) 4.766 17.181 ( 1.171 0.000 -1.286) 1.739 17.820 ( -21.949 0.000 -1.304) 21.988 17.956 ( 7.054 0.000 0.066) 7.054 20.377 ( 12.562 0.000 0.852) 12.591 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -14.090 0.000 23.847) 27.699 0.532 ( -21.272 0.000 17.250) 27.387 0.908 ( -42.796 0.000 15.794) 45.618 1.994 ( -1.963 0.000 -5.428) 5.772 2.379 ( 11.772 0.000 -15.189) 19.217 2.707 ( 5.939 0.000 2.147) 6.316 2.860 ( -1.764 0.000 -11.073) 11.212 2.906 ( -2.055 0.000 4.806) 5.227 3.032 ( 4.400 0.000 1.155) 4.549 3.461 ( 6.636 0.000 1.449) 6.792 3.584 ( 2.521 0.000 -1.183) 2.785 3.793 ( 2.128 0.000 5.583) 5.975 3.996 ( 0.097 0.000 -1.658) 1.661 4.139 ( -5.778 0.000 0.732) 5.825 4.182 ( -1.817 0.000 4.435) 4.793 4.378 ( 2.005 0.000 -0.841) 2.174 4.383 ( -1.643 0.000 3.645) 3.998 4.971 ( -0.476 0.000 -1.031) 1.136 6.001 ( 16.948 0.000 -0.854) 16.970 6.646 ( 11.774 0.000 -3.589) 12.309 6.695 ( -1.154 0.000 -2.519) 2.770 6.787 ( 13.296 0.000 -14.047) 19.342 7.193 ( 3.553 0.000 1.390) 3.815 7.309 ( -1.535 0.000 -2.772) 3.168 7.486 ( -10.707 0.000 4.460) 11.599 7.685 ( 9.718 0.000 -4.824) 10.850 8.111 ( 2.365 0.000 -0.432) 2.404 8.155 ( -14.327 0.000 12.169) 18.798 8.278 ( -17.251 0.000 -7.972) 19.003 8.323 ( -2.164 0.000 0.096) 2.166 8.456 ( -5.585 0.000 5.755) 8.019 8.611 ( 6.155 0.000 5.793) 8.453 8.894 ( -1.184 0.000 0.285) 1.217 9.140 ( -1.806 0.000 0.863) 2.002 9.698 ( 5.508 0.000 5.383) 7.702 10.146 ( 0.519 0.000 -3.295) 3.336 10.235 ( -0.164 0.000 -2.764) 2.769 10.301 ( -2.177 0.000 -8.745) 9.012 10.373 ( -3.522 0.000 -0.013) 3.522 10.650 ( -6.865 0.000 7.277) 10.004 11.542 ( 3.730 0.000 -1.973) 4.220 11.745 ( -5.889 0.000 1.897) 6.186 12.158 ( 1.134 0.000 1.077) 1.564 12.289 ( 1.775 0.000 0.444) 1.830 12.529 ( 5.149 0.000 -2.928) 5.923 12.845 ( 0.621 0.000 -2.909) 2.974 13.519 ( -3.437 0.000 4.130) 5.373 13.924 ( 10.873 0.000 -6.890) 12.872 14.608 ( -18.326 0.000 9.513) 20.648 15.509 ( -2.954 0.000 -0.265) 2.966 15.868 ( 4.160 0.000 -7.370) 8.463 16.336 ( -0.653 0.000 -0.159) 0.672 16.502 ( -1.260 0.000 0.728) 1.455 16.550 ( 1.358 0.000 5.376) 5.544 16.858 ( -1.024 0.000 -3.435) 3.584 17.075 ( 7.128 0.000 -9.753) 12.080 17.193 ( 0.561 0.000 -5.099) 5.130 17.402 ( -16.216 0.000 -12.674) 20.581 18.180 ( 2.487 0.000 21.809) 21.950 20.517 ( 6.548 0.000 -4.720) 8.072 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -4.407 21.441 8.403) 23.447 0.830 ( 2.711 14.725 21.182) 25.939 1.399 ( -3.124 34.178 24.816) 42.352 2.022 ( 7.738 -0.141 0.870) 7.788 2.295 ( 5.197 -5.080 -14.114) 15.875 2.682 ( 2.235 0.831 -6.655) 7.070 2.769 ( 0.300 -3.503 2.715) 4.442 2.940 ( -3.006 2.828 2.145) 4.651 3.139 ( 1.547 2.538 -3.062) 4.267 3.477 ( -2.288 -5.991 -5.770) 8.627 3.501 ( -0.348 -3.812 1.560) 4.134 3.884 ( -0.590 -3.128 3.709) 4.888 4.032 ( 0.400 0.424 8.574) 8.593 4.080 ( -0.810 1.293 -2.146) 2.633 4.169 ( -3.799 1.125 -0.353) 3.978 4.363 ( -1.395 -1.471 -0.121) 2.031 4.403 ( -0.458 1.562 5.005) 5.263 4.878 ( -0.196 -6.831 -1.656) 7.031 6.136 ( 1.167 -1.673 -3.468) 4.023 6.504 ( -1.514 -9.831 -8.103) 12.830 6.600 ( 1.821 -5.772 -2.097) 6.405 6.912 ( 1.724 -3.548 -7.839) 8.775 7.082 ( 6.473 -3.969 -3.083) 8.195 7.254 ( -9.236 1.254 -7.708) 12.095 7.504 ( 1.209 5.425 -0.817) 5.618 7.791 ( 5.079 -5.411 3.462) 8.189 7.871 ( -2.803 -2.331 -9.854) 10.507 7.949 ( -2.561 -8.069 2.779) 8.910 8.125 ( -2.693 -1.201 2.501) 3.867 8.245 ( 1.920 -9.539 3.536) 10.353 8.625 ( -0.354 5.236 14.467) 15.389 8.891 ( 6.300 -4.002 15.684) 17.369 9.134 ( 2.483 13.434 3.584) 14.124 9.266 ( 3.808 7.275 7.522) 11.136 9.718 ( -7.994 2.414 -6.029) 10.300 10.054 ( -0.738 -2.343 -6.690) 7.127 10.134 ( 1.106 -3.488 -9.719) 10.385 10.367 ( 4.452 2.791 1.010) 5.350 10.436 ( -1.858 9.386 0.674) 9.591 10.629 ( -3.932 2.590 2.789) 5.472 11.618 ( -0.951 0.301 0.804) 1.281 11.784 ( 1.539 0.390 8.545) 8.692 12.121 ( 2.176 -6.934 0.227) 7.271 12.251 ( -3.959 -1.566 -0.538) 4.291 12.606 ( 2.360 4.603 -3.480) 6.234 12.877 ( -0.421 6.159 -5.812) 8.479 13.504 ( -3.047 0.935 3.406) 4.665 13.964 ( 5.562 -6.377 -5.189) 9.926 14.489 ( -8.520 5.023 8.830) 13.258 15.514 ( 3.401 -2.771 3.320) 5.502 15.833 ( 1.489 1.336 -9.082) 9.300 16.239 ( -0.151 -11.200 2.219) 11.419 16.482 ( -0.532 -0.474 2.786) 2.876 16.573 ( -3.074 0.143 2.877) 4.213 16.783 ( 0.392 -3.973 -13.834) 14.398 17.088 ( 5.219 -2.240 -4.803) 7.438 17.177 ( -2.768 8.672 -2.322) 9.394 17.330 ( 0.505 17.667 -7.650) 19.259 18.447 ( 0.248 -3.971 27.748) 28.032 20.380 ( -0.298 -9.706 -10.019) 13.952 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 13.476 17.606 5.246) 22.783 1.138 ( 6.644 15.465 17.779) 24.483 1.735 ( 10.215 12.413 17.490) 23.756 2.197 ( 11.385 -0.384 -8.754) 14.366 2.247 ( 3.665 -2.766 -2.327) 5.148 2.629 ( 0.168 6.583 -2.863) 7.181 2.792 ( -2.482 -4.322 2.869) 5.751 2.863 ( -7.536 5.681 1.459) 9.550 3.119 ( -1.657 -1.749 -3.225) 4.026 3.295 ( -7.011 -4.260 -6.561) 10.505 3.527 ( -1.129 -6.115 4.854) 7.889 3.865 ( -2.960 -6.630 -1.876) 7.499 4.025 ( -2.777 2.577 -2.242) 4.402 4.088 ( -4.041 1.224 -0.555) 4.259 4.152 ( 0.170 0.437 9.481) 9.492 4.316 ( -2.858 1.106 0.589) 3.120 4.486 ( 2.310 2.867 5.820) 6.887 4.865 ( 1.426 -7.236 -2.172) 7.688 6.000 ( -12.122 -0.686 -1.899) 12.289 6.331 ( -6.983 -8.331 -9.138) 14.201 6.584 ( 0.791 -0.418 -5.092) 5.170 6.750 ( -8.563 -5.007 -7.218) 12.268 7.030 ( -5.565 -2.896 -6.410) 8.969 7.211 ( 7.571 -4.018 2.309) 8.876 7.486 ( -1.203 1.467 -2.258) 2.949 7.788 ( 2.356 5.180 -2.822) 6.352 7.944 ( 2.422 -5.193 0.384) 5.742 7.978 ( 9.599 -6.031 -2.374) 11.582 8.087 ( -2.415 -0.268 0.524) 2.486 8.371 ( 5.500 -11.299 5.757) 13.823 8.850 ( 4.114 0.226 17.280) 17.764 9.099 ( -0.583 -6.319 9.561) 11.475 9.230 ( 3.324 8.258 5.933) 10.698 9.465 ( -3.663 5.966 3.896) 8.012 9.543 ( 4.763 11.984 2.510) 13.138 9.949 ( -0.758 -2.601 -8.035) 8.479 10.062 ( 4.943 -1.795 -11.772) 12.893 10.291 ( -3.593 7.155 -5.485) 9.705 10.539 ( 1.849 2.243 4.174) 5.086 10.634 ( 2.558 4.646 3.203) 6.196 11.620 ( -0.687 -2.492 4.338) 5.050 11.923 ( 2.070 -1.238 7.136) 7.533 12.073 ( -3.068 -0.202 -5.373) 6.191 12.207 ( -4.054 -6.362 3.807) 8.450 12.605 ( 2.369 5.577 -3.404) 6.949 12.781 ( -1.765 6.669 -7.138) 9.927 13.481 ( -3.528 2.507 2.033) 4.782 13.921 ( -3.773 -7.411 -2.668) 8.734 14.578 ( 6.500 6.667 8.248) 12.438 15.617 ( 4.717 -5.059 -0.922) 6.978 15.762 ( 0.738 2.715 -5.463) 6.145 16.245 ( -4.442 -13.487 3.501) 14.625 16.446 ( -2.435 0.460 -4.312) 4.974 16.595 ( 3.293 -3.479 -3.385) 5.866 16.640 ( 1.413 -0.373 -2.965) 3.305 17.144 ( -1.168 14.726 1.722) 14.872 17.177 ( 11.130 0.291 -8.241) 13.852 17.258 ( -0.162 10.059 -4.219) 10.909 18.742 ( -3.306 -4.525 28.628) 29.171 20.181 ( -6.586 -9.420 -14.802) 18.741 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 16.422 12.639 1.577) 20.783 1.449 ( 8.537 10.288 15.051) 20.131 1.990 ( 10.619 -4.558 -4.762) 12.499 2.134 ( -6.664 3.313 -6.762) 10.055 2.260 ( 1.038 0.971 -8.543) 8.661 2.616 ( 0.387 13.888 -5.766) 15.042 2.749 ( -5.671 -4.131 2.033) 7.305 2.845 ( -0.931 -3.723 12.216) 12.804 3.006 ( -6.280 1.741 1.904) 6.790 3.169 ( -3.357 -4.588 -5.184) 7.693 3.578 ( -1.623 -4.303 6.804) 8.212 3.748 ( -5.101 -9.047 -4.984) 11.520 3.973 ( -1.021 2.902 0.819) 3.183 4.021 ( -0.915 0.140 -3.020) 3.159 4.218 ( -1.392 3.429 6.372) 7.369 4.348 ( 0.731 1.784 6.919) 7.182 4.594 ( 2.869 0.942 5.393) 6.181 4.880 ( 3.363 -7.382 -2.449) 8.474 5.750 ( -15.410 0.342 0.546) 15.424 6.073 ( -12.813 -5.355 -7.187) 15.637 6.461 ( -3.844 4.571 -10.916) 12.443 6.597 ( -1.857 -5.983 -3.079) 6.981 6.917 ( -3.257 -2.420 -1.186) 4.227 7.351 ( 1.402 -6.399 5.540) 8.580 7.453 ( 0.718 -4.955 -0.450) 5.026 7.755 ( -5.408 7.213 -0.116) 9.016 7.949 ( 2.747 -3.164 -4.467) 6.124 8.116 ( 8.739 -0.258 -2.909) 9.214 8.138 ( 7.194 -9.635 0.699) 12.045 8.505 ( 2.996 -7.943 3.687) 9.255 9.002 ( -5.988 2.699 3.071) 7.250 9.121 ( -1.687 -1.232 8.438) 8.693 9.384 ( 4.880 4.598 8.479) 10.810 9.455 ( 3.268 5.352 2.271) 6.670 9.626 ( 0.912 8.134 -6.788) 10.633 9.941 ( 3.648 -3.201 2.888) 5.648 10.046 ( 5.614 3.257 -7.164) 9.667 10.205 ( 1.979 4.448 -5.376) 7.253 10.582 ( 2.536 5.376 1.500) 6.130 10.756 ( 4.552 2.375 4.245) 6.662 11.684 ( -0.567 -6.713 4.950) 8.360 11.866 ( -3.792 0.781 -6.409) 7.488 12.106 ( 1.185 1.330 8.817) 8.996 12.138 ( -7.593 -10.546 1.262) 13.056 12.615 ( 2.476 9.132 -1.500) 9.580 12.691 ( 1.266 9.949 -6.676) 12.048 13.427 ( -4.531 2.860 0.238) 5.363 13.832 ( -4.270 -6.934 -0.141) 8.145 14.835 ( 12.103 6.026 8.161) 15.793 15.602 ( 2.355 -0.426 -9.856) 10.142 15.753 ( -2.348 -2.820 4.126) 5.522 16.150 ( -2.861 -8.210 -6.440) 10.819 16.403 ( 0.107 -3.699 -1.079) 3.855 16.522 ( -0.878 -4.257 -4.292) 6.108 16.785 ( 4.006 9.350 4.899) 11.290 17.133 ( -2.407 16.794 2.545) 17.155 17.229 ( 5.843 2.739 0.365) 6.463 17.323 ( 14.682 -3.970 -10.188) 18.306 18.965 ( -7.472 -5.409 26.703) 28.252 19.844 ( -11.103 -9.127 -18.155) 23.156 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 5.515 10.618 -3.198) 12.384 1.722 ( 5.464 0.282 5.006) 7.416 1.874 ( -6.975 4.879 -5.343) 10.050 2.032 ( 4.755 -5.285 -7.246) 10.151 2.214 ( 3.478 2.887 -2.414) 5.124 2.532 ( -0.976 12.894 -6.316) 14.391 2.663 ( -6.762 -3.941 1.906) 8.055 2.902 ( -7.265 -0.090 3.930) 8.261 3.004 ( -4.233 -4.895 -5.007) 8.183 3.033 ( -1.656 -1.231 6.469) 6.791 3.536 ( -7.490 -5.982 -6.688) 11.687 3.639 ( -4.517 -2.300 4.965) 7.096 4.026 ( 7.163 -4.009 -1.238) 8.302 4.069 ( 5.079 0.970 4.654) 6.957 4.300 ( 1.749 5.703 7.779) 9.803 4.427 ( 0.837 1.724 3.607) 4.085 4.699 ( 2.751 -3.369 5.006) 6.632 4.916 ( 4.591 -7.159 -3.427) 9.169 5.528 ( -12.499 0.861 2.032) 12.692 5.759 ( -15.298 -1.364 -5.850) 16.435 6.304 ( -2.530 1.732 -6.687) 7.356 6.549 ( -0.857 -1.397 -2.152) 2.705 6.885 ( -1.984 -0.688 2.414) 3.200 7.338 ( -2.971 -3.212 -0.366) 4.391 7.508 ( 1.489 -9.620 0.353) 9.741 7.639 ( -9.082 3.849 4.108) 10.685 7.960 ( 3.350 -6.365 -2.126) 7.501 8.179 ( 1.606 -16.329 -4.974) 17.145 8.297 ( 11.372 6.133 1.743) 13.037 8.540 ( -1.081 -3.101 0.298) 3.298 8.917 ( -4.532 10.747 1.458) 11.755 9.127 ( -3.105 2.974 -1.031) 4.421 9.439 ( -3.779 3.990 -2.441) 6.013 9.531 ( 3.165 -0.693 1.596) 3.612 9.677 ( 9.345 6.681 2.784) 11.820 10.015 ( -0.521 4.113 0.426) 4.168 10.067 ( 6.396 -1.935 -4.211) 7.899 10.288 ( 11.751 -1.459 0.659) 11.860 10.681 ( 5.422 8.287 3.223) 10.415 10.856 ( 3.058 1.942 2.021) 4.148 11.570 ( -8.667 -0.693 -6.675) 10.962 11.856 ( 0.436 -6.934 3.885) 7.960 11.998 ( -7.711 -10.398 -1.298) 13.010 12.196 ( -2.553 0.566 6.609) 7.108 12.659 ( 3.619 12.522 -3.106) 13.399 12.700 ( 6.526 12.034 0.304) 13.693 13.342 ( -5.075 2.607 -0.341) 5.716 13.779 ( -2.630 -6.166 0.565) 6.727 15.131 ( 11.847 3.894 7.322) 14.461 15.523 ( -0.712 1.984 -5.447) 5.841 15.760 ( -1.464 -6.280 3.722) 7.445 16.063 ( 2.100 -3.007 -6.655) 7.598 16.379 ( -3.098 -4.359 0.894) 5.422 16.481 ( -0.262 -0.029 -2.793) 2.806 16.785 ( -4.876 13.620 0.594) 14.478 17.102 ( -3.241 14.941 0.305) 15.292 17.452 ( 16.617 -4.488 -13.473) 21.858 17.504 ( 16.307 -5.077 10.341) 19.966 19.085 ( -11.488 -6.138 22.750) 26.215 19.427 ( -12.761 -9.049 -19.370) 24.899 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -6.975 10.388 2.037) 12.677 1.686 ( 2.037 1.948 -7.449) 7.964 1.842 ( -5.178 0.313 1.784) 5.486 2.081 ( 10.212 -4.931 -8.684) 14.284 2.353 ( 8.203 1.822 7.702) 11.399 2.465 ( 0.231 10.384 -4.186) 11.198 2.582 ( -5.799 -4.259 3.556) 8.026 2.790 ( -8.104 1.248 1.311) 8.304 2.881 ( -0.878 -0.484 -2.507) 2.700 3.058 ( -5.684 -1.423 1.789) 6.127 3.295 ( -8.064 -3.006 -6.809) 10.974 3.636 ( -3.888 -4.709 5.143) 7.984 4.156 ( 8.268 -3.037 -0.481) 8.821 4.191 ( 4.632 -3.394 0.197) 5.746 4.418 ( 2.927 6.107 2.802) 7.329 4.448 ( 0.209 1.474 -1.383) 2.032 4.804 ( 3.303 -6.956 4.674) 9.008 4.946 ( 4.363 -8.155 -4.805) 10.422 5.379 ( -9.146 0.807 2.773) 9.591 5.459 ( -12.524 2.348 -4.418) 13.487 6.232 ( -1.059 0.775 -0.698) 1.486 6.525 ( -0.549 2.032 0.543) 2.173 6.879 ( -2.559 1.049 2.352) 3.630 7.304 ( -0.461 -0.780 0.411) 0.995 7.451 ( -3.765 2.182 -3.179) 5.389 7.586 ( -4.408 -11.523 3.265) 12.762 8.011 ( 2.588 -11.718 1.876) 12.146 8.108 ( -1.147 -13.470 -5.478) 14.586 8.474 ( 3.036 0.068 -2.416) 3.881 8.524 ( 1.796 6.293 4.843) 8.142 8.888 ( 0.530 12.459 0.223) 12.472 9.034 ( -3.560 8.309 -4.286) 10.005 9.338 ( -2.232 0.364 -5.087) 5.567 9.615 ( 2.499 -0.660 4.115) 4.859 9.829 ( 5.563 5.132 0.634) 7.595 10.011 ( 0.809 6.406 0.705) 6.495 10.131 ( 4.618 -3.194 -1.004) 5.704 10.534 ( 12.462 -4.338 1.555) 13.287 10.827 ( 7.487 7.951 3.611) 11.503 10.898 ( 1.083 2.295 0.421) 2.572 11.340 ( -9.790 -0.533 -5.490) 11.237 11.825 ( -5.921 -11.505 -1.620) 13.040 11.926 ( -0.936 -2.732 1.459) 3.235 12.174 ( -4.649 2.192 1.785) 5.441 12.680 ( 3.956 9.747 -3.481) 11.081 12.851 ( 6.177 12.432 3.209) 14.248 13.272 ( -3.795 2.115 2.001) 4.783 13.745 ( -1.632 -4.851 -0.769) 5.176 15.337 ( 5.425 -1.839 0.513) 5.751 15.498 ( 0.224 3.758 4.655) 5.986 15.808 ( 1.695 -5.616 4.697) 7.515 16.081 ( 4.900 0.551 -1.037) 5.039 16.315 ( -5.929 -1.075 -0.236) 6.030 16.419 ( -2.446 5.067 -2.248) 6.059 16.724 ( -2.552 8.780 1.367) 9.245 17.044 ( -3.249 13.024 -1.259) 13.482 17.567 ( 16.598 -4.951 -15.405) 23.180 17.894 ( 14.043 -5.730 9.538) 17.917 19.022 ( -9.352 -9.871 -15.649) 20.732 19.095 ( -14.392 -6.428 16.650) 22.927 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.350 8.116 13.272) 15.914 1.706 ( 3.243 1.545 2.133) 4.178 1.761 ( -0.230 1.770 -1.190) 2.145 2.150 ( 10.364 -1.487 -8.646) 13.579 2.437 ( 1.662 4.822 -3.841) 6.385 2.522 ( -0.736 -0.791 5.753) 5.854 2.535 ( -5.344 -4.164 1.621) 6.966 2.692 ( -5.368 -0.709 -0.402) 5.430 2.862 ( -4.330 2.669 -2.483) 5.660 2.963 ( 3.287 5.689 1.985) 6.864 3.226 ( 1.775 -4.804 4.036) 6.521 3.616 ( -4.378 -6.274 3.475) 8.403 4.211 ( 1.553 -4.040 -4.866) 6.512 4.255 ( 3.576 -2.683 -1.955) 4.880 4.376 ( -1.169 1.865 -8.160) 8.451 4.429 ( -1.525 3.648 -4.771) 6.196 4.861 ( -2.041 -8.524 -1.282) 8.859 4.968 ( 5.066 -8.898 -3.264) 10.746 5.265 ( -2.039 4.002 -0.704) 4.546 5.311 ( -5.864 2.263 2.746) 6.859 6.256 ( 1.155 -0.372 5.065) 5.208 6.546 ( -0.002 3.465 3.684) 5.057 6.849 ( -2.338 1.785 0.196) 2.949 7.332 ( 2.477 2.850 0.963) 3.897 7.357 ( -4.863 4.389 -1.135) 6.648 7.530 ( -1.821 -16.720 -2.980) 17.081 8.051 ( -0.206 -10.769 -1.049) 10.822 8.098 ( 3.344 -14.248 3.827) 15.127 8.420 ( -0.885 -3.447 -5.010) 6.145 8.603 ( -0.556 8.656 3.198) 9.245 8.918 ( -2.419 10.279 -5.192) 11.767 8.970 ( 3.923 14.985 3.773) 15.943 9.265 ( 1.287 -4.478 -5.337) 7.084 9.683 ( -0.925 -0.167 4.445) 4.543 9.893 ( 2.641 6.847 -0.640) 7.367 10.047 ( 0.364 5.483 3.381) 6.452 10.203 ( 2.993 -1.029 2.206) 3.858 10.665 ( 3.666 -1.193 -1.921) 4.308 10.820 ( -1.186 4.868 -8.022) 9.458 11.061 ( 0.588 -2.049 4.481) 4.962 11.176 ( 0.777 -0.476 3.614) 3.727 11.721 ( -1.816 -7.789 -3.562) 8.755 11.918 ( -1.345 -1.964 0.056) 2.381 12.108 ( -3.300 3.293 -1.103) 4.790 12.719 ( 3.705 8.817 -0.912) 9.607 12.920 ( -0.197 11.394 -0.776) 11.422 13.272 ( -1.332 1.275 5.350) 5.659 13.702 ( -0.916 -4.656 -2.972) 5.599 15.383 ( 3.458 -1.799 -0.970) 4.017 15.585 ( -2.851 0.954 11.369) 11.759 15.904 ( 1.479 -4.064 5.054) 6.652 16.084 ( -7.991 1.325 -3.979) 9.024 16.251 ( 6.125 3.421 0.810) 7.063 16.424 ( 0.855 6.086 5.687) 8.374 16.706 ( -2.172 7.713 0.733) 8.046 16.980 ( -1.090 9.938 -2.944) 10.422 17.657 ( 15.047 -5.433 -15.956) 22.595 18.042 ( -2.942 -4.295 -5.096) 7.285 18.878 ( 5.712 -11.734 -0.390) 13.057 19.003 ( -14.062 -6.223 10.852) 18.821 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.007 4.618 12.635) 13.785 1.661 ( -1.764 2.300 -0.506) 2.942 2.000 ( 9.066 0.357 11.095) 14.332 2.224 ( 5.008 0.609 -5.092) 7.168 2.332 ( -10.201 1.161 -3.201) 10.754 2.423 ( -1.547 -1.399 -0.356) 2.116 2.547 ( 2.170 6.905 -5.555) 9.124 2.623 ( 2.293 2.004 5.370) 6.173 2.907 ( 4.535 -2.077 1.448) 5.194 3.005 ( 0.175 2.623 -0.902) 2.779 3.424 ( 8.801 -5.718 10.468) 14.823 3.566 ( -4.669 -6.772 1.126) 8.302 4.130 ( -0.945 1.524 -13.327) 13.447 4.178 ( -3.847 -5.586 -5.471) 8.714 4.266 ( -7.303 -1.553 -3.799) 8.378 4.310 ( 0.737 4.161 -8.921) 9.872 4.749 ( -5.201 -5.153 -3.089) 7.947 5.001 ( 2.691 -7.519 -4.036) 8.948 5.272 ( -0.950 2.999 1.216) 3.373 5.359 ( 10.182 1.964 1.969) 10.555 6.387 ( 3.624 -3.026 10.928) 11.904 6.594 ( 0.026 1.483 4.404) 4.647 6.826 ( 0.092 2.502 -0.284) 2.520 7.241 ( -4.254 -0.002 -6.414) 7.696 7.386 ( 2.711 2.362 -0.764) 3.675 7.506 ( 2.442 -9.413 -0.051) 9.725 8.048 ( -0.342 -11.731 0.807) 11.763 8.230 ( 5.392 -11.407 5.241) 13.662 8.345 ( -1.459 -6.263 -4.034) 7.591 8.610 ( -0.896 7.822 1.221) 7.967 8.813 ( -2.670 9.093 -4.943) 10.689 9.037 ( 1.023 4.598 -2.588) 5.375 9.297 ( 4.854 4.070 1.670) 6.551 9.678 ( -3.882 2.934 2.030) 5.273 9.890 ( -2.990 8.756 -0.094) 9.253 10.090 ( -0.463 3.709 3.472) 5.101 10.272 ( 0.825 1.137 4.391) 4.610 10.592 ( -5.952 -0.922 -6.036) 8.526 10.745 ( -0.807 3.683 -0.834) 3.861 10.932 ( -7.310 -0.727 -3.572) 8.169 11.421 ( 9.504 -3.119 8.823) 13.338 11.700 ( 3.442 -10.735 -3.270) 11.738 11.893 ( -0.670 0.596 -0.722) 1.152 12.040 ( -1.197 3.584 -4.177) 5.633 12.777 ( 1.770 9.259 1.530) 9.550 12.836 ( -5.049 12.599 -3.519) 14.022 13.335 ( 0.400 -0.291 6.317) 6.336 13.657 ( 0.651 -6.250 -4.077) 7.490 15.469 ( 5.137 0.564 3.437) 6.206 15.605 ( -12.341 4.081 9.387) 16.034 15.842 ( -6.932 -1.877 -0.023) 7.181 16.011 ( 2.393 -5.547 -0.335) 6.051 16.410 ( 6.249 1.256 6.467) 9.080 16.569 ( 5.777 11.112 7.788) 14.748 16.649 ( -4.758 6.265 0.071) 7.867 16.945 ( 2.112 7.861 -4.525) 9.313 17.677 ( 2.432 -7.682 -15.106) 17.121 17.808 ( -2.173 -2.106 -13.457) 13.793 18.792 ( -16.886 -7.255 4.862) 19.011 19.195 ( 17.464 -10.175 8.439) 21.903 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -3.610 2.267 1.238) 4.439 1.639 ( -5.015 7.143 -1.165) 8.805 1.998 ( -3.505 4.293 -3.994) 6.831 2.247 ( -0.574 -1.272 11.330) 11.416 2.315 ( 3.391 0.268 1.617) 3.766 2.495 ( 7.247 5.591 -2.322) 9.443 2.620 ( 7.530 0.141 -0.999) 7.598 2.732 ( 2.601 1.234 5.279) 6.013 2.882 ( -4.064 3.900 -4.072) 6.950 3.064 ( 5.450 -2.641 2.024) 6.385 3.478 ( -4.242 -7.394 -2.580) 8.906 3.647 ( 5.688 -8.550 5.013) 11.427 3.955 ( -0.582 2.543 -9.422) 9.777 4.081 ( -6.211 -0.732 -4.762) 7.860 4.113 ( 1.808 1.171 -3.198) 3.856 4.225 ( -2.553 -4.067 -3.836) 6.146 4.660 ( -3.341 1.428 -0.369) 3.652 4.970 ( -0.932 -7.051 -3.245) 7.818 5.316 ( 6.700 3.322 -1.428) 7.614 5.602 ( 15.809 -0.422 1.694) 15.905 6.582 ( 2.105 -6.322 8.943) 11.152 6.677 ( 3.898 -1.992 10.601) 11.470 6.849 ( 2.008 3.882 0.968) 4.476 7.079 ( -1.871 -4.570 -12.456) 13.399 7.414 ( 2.307 -1.682 -0.541) 2.906 7.595 ( 6.011 1.955 1.174) 6.429 8.052 ( -0.737 -12.231 1.106) 12.303 8.243 ( -0.480 -1.529 -6.351) 6.550 8.388 ( -0.952 -14.875 8.558) 17.187 8.613 ( -1.830 3.706 2.521) 4.841 8.733 ( 2.006 6.173 -5.484) 8.497 8.961 ( -1.326 -4.298 -9.484) 10.497 9.392 ( 0.305 9.471 4.454) 10.470 9.570 ( -8.019 9.434 -5.845) 13.692 9.826 ( -5.044 11.218 2.955) 12.650 10.088 ( -2.717 1.489 1.643) 3.507 10.328 ( -0.699 1.961 5.354) 5.744 10.445 ( -5.774 0.890 -0.263) 5.848 10.723 ( -4.062 1.032 2.966) 5.134 10.783 ( -4.576 1.600 -4.651) 6.718 11.570 ( 1.173 -8.317 -2.104) 8.659 11.783 ( 8.887 -7.099 1.784) 11.513 11.882 ( 0.035 2.057 -1.991) 2.863 12.003 ( 2.679 0.023 -1.825) 3.241 12.668 ( -6.202 15.543 -3.803) 17.161 12.852 ( 1.088 7.506 3.539) 8.370 13.407 ( 0.541 -2.130 4.497) 5.005 13.645 ( 3.066 -6.516 -3.152) 7.861 15.368 ( -18.816 5.721 1.606) 19.732 15.626 ( 5.755 2.171 6.391) 8.871 15.826 ( -2.731 -0.320 6.578) 7.129 16.047 ( 1.805 -9.638 0.651) 9.827 16.544 ( -2.761 1.762 -1.963) 3.819 16.582 ( 3.319 3.605 5.070) 7.051 16.770 ( 3.607 9.376 9.727) 13.983 16.925 ( 3.155 8.675 -6.498) 11.289 17.395 ( -9.331 -4.520 -10.431) 14.707 17.777 ( 8.216 -3.336 -11.314) 14.375 18.523 ( -17.069 -6.384 -1.943) 18.327 19.602 ( 18.765 -10.107 8.411) 22.913 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -14.762 8.538 -5.021) 17.777 1.389 ( -17.393 12.860 -4.342) 22.063 2.062 ( 12.273 3.082 -5.951) 13.984 2.215 ( -17.257 8.322 -1.451) 19.214 2.389 ( 2.049 -2.892 5.021) 6.146 2.497 ( -3.346 -1.189 -7.822) 8.590 2.710 ( 5.620 4.528 2.395) 7.604 2.770 ( 1.603 -2.586 3.959) 4.993 2.953 ( 10.289 2.936 6.183) 12.358 3.145 ( 3.374 -2.235 -2.115) 4.567 3.408 ( 0.736 -8.701 -3.333) 9.347 3.763 ( 3.837 -3.492 0.631) 5.227 3.894 ( 3.023 -1.725 -5.320) 6.358 3.986 ( -0.293 1.582 0.139) 1.615 4.147 ( -0.694 -4.079 -0.705) 4.197 4.198 ( 3.262 -2.774 3.650) 5.626 4.601 ( -5.330 7.088 1.294) 8.962 4.924 ( -0.943 -7.759 -1.303) 7.924 5.470 ( 13.914 2.923 -1.545) 14.301 5.914 ( 19.641 -3.079 0.962) 19.904 6.651 ( 1.051 -8.113 1.387) 8.298 6.887 ( -0.599 1.291 7.916) 8.043 6.927 ( 2.606 -3.815 -12.878) 13.681 6.964 ( 7.849 -4.101 12.664) 15.453 7.450 ( 2.686 -2.180 -1.104) 3.631 7.700 ( 6.048 5.532 -1.657) 8.363 8.035 ( -1.152 -7.617 -1.031) 7.773 8.191 ( 0.192 -7.372 -1.254) 7.480 8.385 ( -8.576 -4.866 7.022) 12.105 8.530 ( -7.604 -4.325 -1.306) 8.845 8.758 ( -1.560 -7.721 -12.873) 15.091 8.854 ( 4.076 0.540 1.713) 4.455 9.281 ( -10.219 10.732 -10.224) 18.004 9.417 ( -3.774 10.663 2.064) 11.498 9.734 ( -8.427 13.969 -0.663) 16.327 10.101 ( 0.303 1.758 4.725) 5.050 10.363 ( -1.199 1.540 3.367) 3.892 10.389 ( -2.770 2.075 1.294) 3.695 10.636 ( -4.677 1.593 -3.358) 5.974 10.712 ( -6.461 1.772 6.600) 9.404 11.500 ( -0.538 -5.912 -6.450) 8.767 11.822 ( 1.698 -0.790 -6.114) 6.395 12.003 ( 7.412 -3.913 5.751) 10.165 12.063 ( 2.968 -3.536 1.791) 4.952 12.567 ( -0.576 14.574 -3.407) 14.978 12.900 ( -0.576 6.239 4.036) 7.453 13.453 ( 0.528 -3.467 2.562) 4.344 13.687 ( 5.043 -4.887 -1.958) 7.290 15.077 ( -18.020 4.760 2.472) 18.802 15.729 ( -2.894 -1.650 2.693) 4.284 15.873 ( 0.060 8.183 7.213) 10.908 16.097 ( 2.742 -13.003 1.898) 13.423 16.457 ( -1.787 -0.412 -3.685) 4.117 16.654 ( -1.294 3.970 -2.673) 4.958 16.783 ( -1.195 -2.537 0.263) 2.817 17.003 ( 5.526 11.588 1.311) 12.905 17.268 ( 1.227 6.077 0.781) 6.248 17.791 ( 3.017 -4.790 -2.125) 6.046 18.186 ( -15.115 -4.975 -9.708) 18.640 19.982 ( 16.862 -10.020 5.482) 20.366 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -16.288 17.614 -7.576) 25.158 1.061 ( -18.018 15.417 0.494) 23.719 1.731 ( -31.580 19.225 3.768) 37.163 2.180 ( -1.732 2.117 -12.993) 13.278 2.325 ( 8.097 0.827 -7.778) 11.258 2.492 ( 3.437 -6.246 4.020) 8.185 2.806 ( 0.345 -4.419 1.729) 4.758 2.868 ( 4.363 1.579 2.016) 5.059 3.129 ( 2.418 4.145 -2.987) 5.652 3.255 ( 13.152 0.061 4.295) 13.835 3.427 ( 3.223 -8.534 -0.109) 9.123 3.782 ( 2.122 1.921 -1.469) 3.217 3.897 ( 1.632 -5.349 -1.307) 5.743 4.093 ( 4.802 0.460 4.559) 6.637 4.132 ( -1.716 -5.061 3.215) 6.237 4.299 ( 3.793 -2.576 1.715) 4.895 4.501 ( -7.477 7.390 0.911) 10.552 4.911 ( -0.529 -7.260 0.387) 7.290 5.736 ( 18.415 1.540 -0.553) 18.487 6.259 ( 20.074 -6.723 -0.170) 21.170 6.637 ( 0.181 -9.254 -4.772) 10.414 6.850 ( 4.072 0.465 -8.343) 9.295 7.002 ( 3.871 -2.877 5.333) 7.190 7.231 ( 4.630 -5.185 12.437) 14.248 7.479 ( 3.431 -2.215 -1.299) 4.286 7.725 ( 0.953 4.862 -5.093) 7.105 8.033 ( 2.779 -3.469 -0.575) 4.482 8.188 ( -6.595 -10.123 5.951) 13.468 8.287 ( -7.604 -5.570 -0.838) 9.463 8.380 ( -10.589 -9.500 3.410) 14.629 8.546 ( -5.035 1.759 -6.046) 8.062 8.807 ( -8.194 2.263 -8.642) 12.122 9.108 ( -0.608 7.412 -2.962) 8.005 9.357 ( -5.603 12.357 -1.302) 13.630 9.645 ( 0.041 8.371 4.656) 9.579 10.151 ( 0.081 1.693 2.053) 2.663 10.330 ( -3.214 -1.380 -4.401) 5.622 10.361 ( -0.826 1.732 -0.946) 2.139 10.537 ( -3.790 5.210 -1.133) 6.541 10.690 ( -7.167 1.875 9.764) 12.256 11.468 ( 3.529 -1.080 -2.655) 4.547 11.793 ( -0.410 -0.218 -1.495) 1.565 12.059 ( 0.827 -9.488 -1.911) 9.714 12.202 ( 4.711 0.962 5.513) 7.316 12.565 ( 3.971 9.286 -3.253) 10.610 12.924 ( -0.614 6.305 1.992) 6.641 13.488 ( 0.011 -2.613 2.794) 3.826 13.763 ( 7.264 -4.639 -2.644) 9.015 14.831 ( -17.218 3.584 5.790) 18.516 15.618 ( -7.877 -1.280 -2.534) 8.373 15.926 ( -0.380 5.030 1.069) 5.156 16.173 ( 2.454 -9.793 2.399) 10.377 16.436 ( 1.398 -2.478 1.167) 3.075 16.554 ( -1.942 1.308 -3.957) 4.598 16.820 ( 2.558 -2.104 -0.089) 3.313 17.060 ( 3.232 5.312 -2.379) 6.658 17.352 ( 3.964 16.548 0.288) 17.018 17.771 ( -19.673 -4.323 2.644) 20.315 17.911 ( 6.895 -4.673 -3.714) 9.120 20.268 ( 12.589 -9.970 0.920) 16.085 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -9.370 22.940 3.609) 25.042 0.789 ( -20.435 14.514 9.022) 26.639 1.369 ( -21.893 35.747 16.420) 45.020 1.999 ( -2.738 0.544 -4.863) 5.608 2.354 ( 8.425 -2.458 -15.310) 17.647 2.621 ( 6.081 -5.181 2.640) 8.414 2.790 ( -1.051 -3.498 -2.544) 4.451 2.929 ( 0.914 -0.030 1.872) 2.083 3.139 ( 3.090 7.279 -3.468) 8.634 3.444 ( 4.862 -4.142 0.797) 6.437 3.501 ( 4.292 -4.261 0.198) 6.051 3.827 ( 1.743 -0.337 2.931) 3.427 3.940 ( 1.382 -3.110 4.693) 5.797 4.113 ( -1.057 -0.001 -0.211) 1.078 4.196 ( 0.015 0.085 2.508) 2.509 4.351 ( 1.152 -2.575 0.502) 2.865 4.409 ( -4.835 3.031 2.753) 6.335 4.900 ( -0.853 -6.801 -0.366) 6.864 6.020 ( 14.915 -0.704 -1.402) 14.997 6.516 ( 9.888 -10.886 -2.594) 14.933 6.594 ( 2.320 -8.212 -5.436) 10.118 6.865 ( 9.808 4.379 -8.627) 13.777 7.078 ( -0.215 -8.053 0.710) 8.087 7.356 ( 2.357 0.672 0.194) 2.459 7.554 ( -3.438 -0.877 4.821) 5.986 7.657 ( 5.063 -0.854 -6.009) 7.904 8.027 ( -9.832 -6.795 1.249) 12.017 8.100 ( 0.603 -3.280 1.335) 3.592 8.131 ( -12.636 -12.673 -2.348) 18.050 8.246 ( -4.490 -5.958 0.206) 7.463 8.550 ( -3.086 10.402 9.027) 14.114 8.653 ( 1.895 0.645 3.918) 4.399 9.082 ( 0.377 12.183 -0.392) 12.195 9.244 ( -4.811 7.612 0.565) 9.022 9.778 ( 3.815 1.107 3.779) 5.483 10.134 ( -2.052 -0.415 -3.133) 3.768 10.219 ( -1.561 -2.525 -4.998) 5.813 10.312 ( 0.579 2.243 -4.622) 5.169 10.486 ( -2.771 8.585 0.723) 9.050 10.671 ( -6.068 1.609 5.780) 8.533 11.551 ( 5.859 0.968 1.715) 6.181 11.758 ( -4.394 0.809 2.783) 5.264 12.069 ( 2.733 -7.497 -0.547) 7.998 12.285 ( 0.051 -1.225 1.810) 2.186 12.596 ( 3.539 5.157 -3.256) 7.051 12.921 ( 0.351 7.018 -2.291) 7.390 13.508 ( -2.032 -0.909 3.618) 4.248 13.871 ( 9.981 -5.008 -4.180) 11.924 14.624 ( -16.705 3.008 7.945) 18.742 15.491 ( -2.995 -1.240 -1.060) 3.411 15.899 ( 0.025 1.543 -4.587) 4.839 16.216 ( 1.620 -8.359 -0.166) 8.516 16.468 ( -0.817 -3.126 1.742) 3.670 16.551 ( 0.510 1.496 4.096) 4.390 16.844 ( 4.201 -2.169 -5.981) 7.624 17.079 ( 2.505 2.721 -2.779) 4.626 17.339 ( -8.152 7.935 0.135) 11.377 17.439 ( -2.933 9.844 -16.429) 19.376 18.134 ( 2.879 -4.539 22.003) 22.650 20.410 ( 6.523 -9.890 -4.512) 12.677 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.408 20.025 8.352) 21.700 1.228 ( 4.121 22.266 4.505) 23.088 2.016 ( 2.111 3.473 1.255) 4.253 2.057 ( -1.911 15.698 -2.627) 16.030 2.332 ( 2.254 14.683 3.010) 15.157 2.640 ( 2.301 -4.074 5.085) 6.910 2.754 ( 0.938 3.037 -3.843) 4.987 2.968 ( 1.349 0.864 2.316) 2.817 3.201 ( -0.978 0.712 -7.645) 7.740 3.280 ( -0.361 -9.469 -1.803) 9.646 3.412 ( -2.487 -6.314 -5.113) 8.497 3.771 ( -1.846 -6.993 1.846) 7.465 3.991 ( 1.417 -2.351 10.794) 11.138 4.156 ( -1.432 3.899 -1.402) 4.384 4.215 ( -0.050 -1.074 -1.583) 1.914 4.301 ( -3.469 -0.087 3.836) 5.173 4.456 ( 2.012 2.693 3.229) 4.661 4.706 ( -1.676 -8.404 0.819) 8.609 6.045 ( 2.312 -6.859 -4.778) 8.673 6.234 ( -1.069 -14.468 -5.540) 15.529 6.463 ( 1.216 -6.172 1.974) 6.594 6.783 ( -2.116 -8.313 -5.627) 10.259 7.048 ( 6.902 0.089 -5.483) 8.816 7.224 ( -11.267 -3.691 -6.939) 13.738 7.568 ( 5.796 -0.968 3.054) 6.622 7.682 ( 1.366 -1.539 0.221) 2.070 7.795 ( -1.067 -6.544 -1.408) 6.778 7.830 ( 4.767 -1.877 -3.065) 5.971 8.053 ( -3.860 -7.038 2.324) 8.357 8.066 ( 0.275 -5.611 3.809) 6.787 8.703 ( -2.169 1.680 10.020) 10.388 8.804 ( 3.279 -3.682 11.570) 12.577 9.379 ( -3.441 10.313 2.950) 11.265 9.487 ( 6.985 11.502 5.970) 14.722 9.778 ( -2.538 3.536 -5.186) 6.770 10.016 ( -2.890 -2.438 -5.778) 6.905 10.062 ( 2.377 -1.452 -7.485) 7.987 10.403 ( 3.046 0.069 1.269) 3.301 10.633 ( -3.292 7.864 -0.126) 8.526 10.689 ( -1.156 3.149 1.721) 3.770 11.642 ( -2.190 1.753 1.083) 3.007 11.784 ( 2.308 -0.009 5.442) 5.912 11.964 ( 3.772 -7.215 1.330) 8.250 12.177 ( -4.485 -5.194 -0.393) 6.873 12.751 ( 2.141 8.952 -2.993) 9.679 13.052 ( -1.722 9.345 -5.888) 11.179 13.520 ( -0.801 0.082 4.604) 4.674 13.799 ( 1.074 -7.890 -0.599) 7.985 14.666 ( -3.582 11.247 5.155) 12.880 15.457 ( 2.365 -2.488 -0.531) 3.473 15.821 ( -0.758 -5.429 3.856) 6.702 16.045 ( -1.063 -3.351 -7.599) 8.373 16.415 ( 1.791 -6.191 2.143) 6.792 16.585 ( -3.617 -0.449 1.520) 3.949 16.705 ( -0.485 -1.766 -16.012) 16.117 17.035 ( 3.760 -3.036 -5.099) 7.025 17.350 ( 0.276 8.761 3.769) 9.542 17.755 ( 0.014 17.338 -4.839) 18.000 18.392 ( 0.662 2.079 23.084) 23.187 20.095 ( -0.454 -16.969 -9.000) 19.214 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 9.799 21.653 2.271) 23.875 1.456 ( 9.900 14.986 10.564) 20.837 1.925 ( 0.261 6.278 -7.875) 10.074 2.200 ( 11.356 0.142 -1.398) 11.442 2.395 ( -2.517 11.760 4.898) 12.985 2.688 ( -2.183 -4.230 2.915) 5.582 2.732 ( -2.201 5.460 1.976) 6.210 3.002 ( -2.778 5.661 2.406) 6.749 3.079 ( -0.848 -3.933 -8.442) 9.352 3.168 ( -4.751 -4.955 -5.546) 8.825 3.366 ( -2.040 -8.098 4.984) 9.725 3.702 ( -4.815 -7.800 -3.611) 9.852 4.066 ( -3.998 1.316 0.115) 4.211 4.137 ( -2.022 -0.289 8.007) 8.264 4.186 ( -2.227 5.092 0.285) 5.565 4.299 ( -0.132 -1.708 5.092) 5.373 4.551 ( 3.416 2.694 2.745) 5.144 4.690 ( -0.656 -8.219 0.232) 8.248 5.935 ( -8.784 -5.688 -3.758) 11.119 6.103 ( -5.448 -12.461 -7.203) 15.389 6.485 ( -0.216 -5.746 0.603) 5.782 6.708 ( -0.919 -2.890 -5.212) 6.030 6.921 ( -10.394 -4.679 -8.327) 14.116 7.090 ( 1.266 -6.486 2.268) 6.987 7.531 ( -6.799 1.487 -2.695) 7.463 7.783 ( 8.152 -7.855 1.600) 11.433 7.876 ( 1.345 -0.261 -2.103) 2.511 7.887 ( 9.182 -1.115 -2.947) 9.708 8.036 ( 0.912 -4.533 -0.047) 4.624 8.155 ( 5.431 -7.690 5.842) 11.080 8.847 ( 2.301 -0.438 13.530) 13.732 8.983 ( 1.259 -4.480 11.828) 12.710 9.418 ( 2.387 9.152 5.071) 10.732 9.559 ( -2.743 3.213 0.084) 4.225 9.757 ( 5.965 5.980 -4.281) 9.470 9.901 ( -0.169 -1.674 -9.652) 9.798 10.075 ( 6.618 4.364 -2.382) 8.277 10.402 ( -1.994 2.549 -3.939) 5.098 10.621 ( 0.453 4.975 2.539) 5.604 10.713 ( 1.989 2.818 2.117) 4.047 11.592 ( -4.415 -0.144 2.410) 5.032 11.896 ( 2.702 -1.296 1.982) 3.593 12.023 ( -2.480 -5.750 5.882) 8.592 12.087 ( -2.528 -3.124 -2.077) 4.524 12.768 ( 3.832 9.391 -2.364) 10.415 12.953 ( -0.595 8.853 -6.697) 11.117 13.537 ( -3.376 2.110 4.003) 5.645 13.754 ( -4.943 -7.166 0.255) 8.709 14.771 ( 7.760 11.075 5.467) 14.587 15.503 ( 4.251 -5.699 -2.571) 7.560 15.842 ( 1.849 4.653 -4.660) 6.840 15.976 ( -3.410 -10.700 3.645) 11.807 16.453 ( 0.903 -8.237 -9.272) 12.435 16.497 ( -3.500 3.960 -1.862) 5.604 16.584 ( 5.454 -5.919 -0.889) 8.097 17.100 ( 10.127 -5.396 -6.680) 13.278 17.411 ( -0.005 13.013 5.015) 13.946 17.669 ( -3.740 21.472 -4.721) 22.300 18.642 ( -3.337 -3.641 24.878) 25.363 19.906 ( -6.837 -16.259 -13.429) 22.168 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 11.438 17.529 0.418) 20.934 1.686 ( 4.420 12.298 5.853) 14.319 1.916 ( 10.327 -0.321 -8.780) 13.559 2.239 ( -6.110 3.544 -7.149) 10.050 2.322 ( -2.840 3.680 -3.952) 6.101 2.647 ( -4.879 -4.086 -0.398) 6.376 2.739 ( -2.059 -3.899 10.053) 10.978 2.900 ( -2.813 6.588 -6.043) 9.372 3.003 ( -3.160 -3.295 -3.763) 5.916 3.128 ( -1.857 5.054 4.972) 7.329 3.442 ( 0.414 -7.907 9.591) 12.437 3.551 ( -5.654 -8.411 -6.156) 11.858 3.973 ( -4.422 -0.729 -1.844) 4.846 4.099 ( -3.836 5.110 0.330) 6.398 4.255 ( 1.147 -0.243 9.630) 9.702 4.400 ( 2.606 2.556 6.470) 7.429 4.593 ( -0.612 -1.358 0.802) 1.691 4.710 ( 2.822 -6.971 -0.149) 7.522 5.718 ( -12.304 -3.735 -1.670) 12.967 5.903 ( -9.140 -10.078 -6.101) 14.911 6.472 ( -3.086 -3.754 -1.072) 4.977 6.552 ( -4.789 2.158 -6.669) 8.489 6.806 ( 1.730 -6.272 -2.495) 6.968 7.147 ( -1.374 -14.256 6.720) 15.820 7.403 ( -3.795 1.231 -3.417) 5.252 7.809 ( -5.049 -2.617 -1.283) 5.830 7.883 ( 2.999 -8.681 -2.377) 9.487 7.937 ( -0.671 0.005 0.199) 0.700 8.153 ( 12.785 0.844 -0.112) 12.813 8.341 ( 8.984 -6.284 2.426) 11.229 9.016 ( 0.588 -0.474 8.994) 9.026 9.100 ( -1.480 -1.041 10.452) 10.607 9.486 ( 1.365 4.490 0.012) 4.693 9.590 ( 4.640 6.650 2.259) 8.418 9.767 ( 5.007 3.097 -10.231) 11.804 9.833 ( 3.860 -3.395 -3.528) 6.235 10.175 ( 4.532 6.698 -0.427) 8.099 10.303 ( -1.109 4.535 -7.003) 8.417 10.691 ( 3.889 4.625 4.301) 7.417 10.796 ( 3.582 1.330 3.283) 5.037 11.563 ( -3.434 -4.187 3.356) 6.371 11.844 ( -7.153 -5.094 -3.871) 9.597 11.960 ( -3.364 -2.856 -1.144) 4.559 12.151 ( 1.505 1.474 7.448) 7.740 12.837 ( 6.314 11.060 -0.230) 12.737 12.904 ( 2.628 9.694 -5.250) 11.333 13.494 ( -5.806 2.847 2.437) 6.911 13.673 ( -5.193 -7.080 1.235) 8.867 15.002 ( 11.506 9.099 5.174) 15.555 15.536 ( 5.275 -5.593 -5.013) 9.178 15.756 ( -3.989 2.830 -5.360) 7.256 15.998 ( -0.869 -3.994 4.520) 6.094 16.328 ( 0.274 -5.470 -8.140) 9.811 16.482 ( 1.973 1.544 -1.569) 2.956 16.801 ( 13.141 -7.113 7.782) 16.847 17.195 ( 10.273 -7.704 -7.426) 14.834 17.430 ( -1.433 16.306 -1.345) 16.424 17.550 ( -4.941 20.071 -0.701) 20.682 18.827 ( -7.478 -7.160 23.713) 25.875 19.579 ( -11.635 -15.500 -16.576) 25.503 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.818 13.213 -2.918) 13.822 1.760 ( 1.843 3.773 -1.179) 4.361 1.969 ( -6.893 3.416 -4.679) 9.004 1.987 ( 5.953 2.027 -9.838) 11.677 2.315 ( 1.972 5.595 3.335) 6.806 2.552 ( -6.147 -5.475 0.774) 8.268 2.745 ( -4.736 -0.295 -0.573) 4.780 2.871 ( -3.453 -6.717 -4.426) 8.754 2.891 ( -0.445 6.340 2.090) 6.690 3.108 ( -4.944 6.250 2.869) 8.470 3.392 ( -5.656 -7.102 -5.234) 10.479 3.543 ( -2.794 -6.299 7.406) 10.116 3.927 ( 2.498 -3.845 -0.444) 4.607 4.081 ( 0.891 0.609 0.843) 1.370 4.415 ( 3.098 2.106 11.373) 11.974 4.489 ( 2.117 3.220 1.367) 4.089 4.587 ( -0.738 -4.780 1.475) 5.057 4.743 ( 2.323 -8.139 -2.772) 8.906 5.516 ( -10.296 -2.228 0.097) 10.535 5.674 ( -10.956 -6.515 -4.326) 13.461 6.321 ( -5.700 -0.090 -4.381) 7.190 6.533 ( 1.615 0.230 0.715) 1.781 6.840 ( 2.313 -3.221 1.422) 4.213 7.166 ( -1.767 -19.463 1.342) 19.589 7.339 ( -2.343 2.289 0.837) 3.381 7.696 ( -6.077 -0.020 -1.768) 6.329 7.853 ( -1.527 -4.831 -2.142) 5.501 7.927 ( -0.246 -6.429 -1.623) 6.636 8.384 ( 10.997 1.886 2.541) 11.443 8.474 ( 5.999 -2.320 -0.080) 6.433 9.066 ( -1.845 4.265 4.336) 6.355 9.159 ( -0.581 0.309 2.092) 2.193 9.516 ( 0.232 1.305 3.187) 3.452 9.609 ( 0.364 8.745 -7.675) 11.641 9.790 ( 7.851 1.045 -2.696) 8.367 9.934 ( 6.023 -3.398 1.593) 7.097 10.190 ( 0.847 7.219 -3.796) 8.200 10.285 ( 7.699 1.368 -2.066) 8.087 10.825 ( 4.785 4.689 4.632) 8.144 10.891 ( 3.494 1.424 2.840) 4.722 11.511 ( -6.532 -4.605 -1.386) 8.111 11.656 ( -8.208 -9.601 -1.669) 12.741 11.921 ( -0.155 1.989 -0.770) 2.138 12.228 ( -1.197 1.445 4.998) 5.338 12.902 ( 3.478 10.606 -4.399) 11.997 12.972 ( 7.809 12.239 1.707) 14.618 13.405 ( -6.305 2.767 0.209) 6.888 13.627 ( -3.003 -7.546 3.110) 8.697 15.224 ( 8.748 4.250 1.862) 9.903 15.583 ( 6.340 0.397 -3.579) 7.291 15.636 ( -5.324 -1.453 0.460) 5.538 16.049 ( 3.457 3.142 1.827) 5.016 16.277 ( -1.572 -5.585 0.239) 5.807 16.523 ( 5.463 3.800 -2.981) 7.292 17.067 ( 3.024 6.455 2.631) 7.598 17.271 ( 6.595 -6.955 -0.033) 9.584 17.385 ( 9.780 4.314 -11.948) 16.031 17.525 ( -1.533 14.096 6.460) 15.582 18.918 ( -11.222 -9.441 20.190) 24.954 19.166 ( -13.931 -15.082 -17.855) 27.209 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -7.075 12.245 1.162) 14.190 1.749 ( 1.737 3.984 -4.458) 6.226 1.850 ( -4.422 0.596 -1.256) 4.635 2.046 ( 11.290 1.739 -7.744) 13.801 2.393 ( 0.890 1.431 2.924) 3.375 2.492 ( -3.876 -3.904 5.096) 7.499 2.655 ( -5.825 4.315 0.645) 7.278 2.746 ( -3.585 -1.885 -4.079) 5.748 2.916 ( 0.283 2.212 4.359) 4.896 3.087 ( -1.733 4.773 0.833) 5.146 3.214 ( -7.038 -3.714 -5.748) 9.817 3.522 ( -4.853 -5.612 2.892) 7.963 4.036 ( 6.651 -6.402 2.760) 9.635 4.115 ( 2.608 -3.647 -1.891) 4.866 4.500 ( 1.381 1.138 -3.224) 3.688 4.558 ( 1.510 6.095 1.527) 6.462 4.613 ( 0.836 -9.092 4.115) 10.014 4.722 ( 0.576 -11.952 -4.069) 12.639 5.381 ( -6.864 -0.892 1.093) 7.008 5.460 ( -9.359 -2.189 -2.172) 9.854 6.228 ( -2.071 -1.113 -0.799) 2.483 6.579 ( 1.522 2.782 2.294) 3.914 6.892 ( 0.553 -0.666 2.400) 2.551 7.142 ( -0.886 -19.244 -1.056) 19.294 7.333 ( -0.597 0.986 2.956) 3.172 7.574 ( -5.642 2.717 -2.202) 6.638 7.816 ( -0.082 -6.227 -1.479) 6.401 7.895 ( -1.359 -6.754 -1.011) 6.963 8.444 ( 2.707 -1.129 -8.043) 8.561 8.632 ( 3.960 1.700 7.912) 9.009 9.085 ( 1.972 4.520 -1.648) 5.200 9.165 ( 1.703 7.173 1.259) 7.479 9.449 ( -6.043 8.743 -8.286) 13.477 9.590 ( 2.153 -1.446 3.461) 4.325 9.908 ( 5.255 -3.190 2.458) 6.621 10.014 ( 4.022 1.048 -1.545) 4.434 10.209 ( 3.567 8.102 1.089) 8.919 10.458 ( 10.750 -2.520 1.764) 11.181 10.932 ( 2.622 1.301 2.567) 3.893 10.967 ( 3.282 4.309 0.911) 5.492 11.307 ( -10.519 -2.230 -4.993) 11.855 11.563 ( -4.086 -12.020 0.226) 12.698 11.927 ( 0.773 3.267 0.178) 3.362 12.228 ( -2.799 2.244 1.718) 3.977 12.911 ( 2.753 10.976 -3.094) 11.732 13.102 ( 5.671 10.242 -0.104) 11.707 13.316 ( -4.215 1.492 0.953) 4.572 13.628 ( -1.554 -5.763 2.413) 6.439 15.318 ( 4.283 0.206 -2.215) 4.827 15.558 ( -4.626 1.615 3.839) 6.224 15.726 ( 6.631 -1.389 4.501) 8.134 16.154 ( 6.213 4.645 0.663) 7.786 16.268 ( -3.381 -0.317 5.628) 6.573 16.573 ( 4.573 8.594 -3.762) 10.436 16.979 ( -5.387 14.079 -2.785) 15.330 17.316 ( -2.208 6.888 -1.244) 7.340 17.459 ( 13.845 -1.566 -14.129) 19.844 17.744 ( 11.619 -6.505 11.911) 17.866 18.741 ( -11.667 -16.075 -16.508) 25.827 18.911 ( -13.928 -10.769 15.388) 23.383 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -3.746 9.820 6.029) 12.116 1.751 ( -5.076 1.728 2.613) 5.965 1.810 ( 8.686 3.849 -0.655) 9.523 2.160 ( 11.288 2.531 -6.527) 13.283 2.415 ( -1.144 -5.383 1.194) 5.631 2.470 ( -6.182 -1.595 2.370) 6.811 2.586 ( -4.258 4.142 4.973) 7.747 2.704 ( 0.991 1.201 1.996) 2.531 2.929 ( -5.513 4.379 -5.067) 8.674 3.089 ( 5.145 0.736 7.678) 9.271 3.122 ( -0.442 1.090 -2.022) 2.340 3.473 ( -3.841 -6.474 1.117) 7.611 4.100 ( -0.084 -5.321 -3.879) 6.585 4.150 ( 3.411 -6.285 0.025) 7.151 4.446 ( -0.226 3.263 -10.577) 11.072 4.499 ( -1.585 0.457 -7.551) 7.729 4.636 ( -1.655 -11.285 -0.230) 11.408 4.733 ( 2.495 -11.165 0.929) 11.478 5.309 ( -1.250 0.199 -0.296) 1.299 5.346 ( -4.450 0.774 1.914) 4.906 6.226 ( 0.526 -2.398 2.641) 3.606 6.621 ( -0.365 2.502 2.857) 3.816 6.900 ( -1.167 2.708 0.073) 2.949 7.112 ( -1.265 -19.340 -1.239) 19.421 7.381 ( 0.146 0.483 3.673) 3.707 7.480 ( -1.290 6.408 -1.458) 6.698 7.825 ( 1.092 -8.581 1.128) 8.723 7.874 ( 0.152 -7.353 0.139) 7.356 8.373 ( 2.001 -1.035 -10.434) 10.675 8.704 ( -2.246 -0.805 2.875) 3.736 9.068 ( 0.512 4.606 -4.323) 6.338 9.241 ( -5.841 7.929 -8.827) 13.225 9.304 ( 8.612 11.242 5.373) 15.146 9.669 ( 0.502 -1.121 5.965) 6.090 10.004 ( 0.453 -6.190 5.663) 8.402 10.058 ( 3.072 6.348 -0.607) 7.079 10.301 ( 2.215 8.247 5.016) 9.903 10.603 ( 3.878 -4.082 -0.625) 5.665 10.917 ( -1.821 3.728 -5.788) 7.121 11.020 ( -1.771 -1.471 -1.571) 2.787 11.166 ( 0.912 -0.361 3.551) 3.684 11.502 ( -2.097 -11.557 -1.715) 11.870 11.939 ( 0.396 3.966 0.169) 3.989 12.187 ( -2.580 3.517 -0.626) 4.406 12.933 ( 2.750 9.980 -0.842) 10.387 13.150 ( 2.255 8.926 -2.540) 9.551 13.295 ( -1.321 0.490 2.903) 3.227 13.598 ( -3.050 -4.404 -1.487) 5.559 15.377 ( 5.012 1.467 0.353) 5.234 15.558 ( -3.871 -1.938 8.693) 9.712 15.862 ( 0.869 -0.721 6.486) 6.583 16.206 ( -4.823 1.805 -1.661) 5.411 16.256 ( 0.644 6.478 2.194) 6.870 16.648 ( 5.975 13.994 4.833) 15.965 16.909 ( 0.289 10.993 -3.212) 11.456 17.232 ( -3.590 11.259 -3.023) 12.198 17.521 ( 12.644 -6.230 -15.372) 20.856 17.928 ( -3.269 -5.701 -1.775) 6.807 18.543 ( 5.991 -19.575 -1.648) 20.538 18.815 ( -13.642 -11.351 9.656) 20.204 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 3.155 5.218 4.310) 7.467 1.721 ( 2.191 2.867 0.182) 3.613 2.026 ( 5.458 2.608 8.840) 10.711 2.269 ( 6.627 3.709 -1.384) 7.719 2.345 ( -8.738 0.498 -1.384) 8.861 2.395 ( 0.093 -2.094 2.601) 3.341 2.650 ( 1.831 0.418 6.226) 6.503 2.748 ( 0.741 10.441 -0.234) 10.469 2.855 ( 3.422 -2.471 1.034) 4.346 3.079 ( -1.327 3.797 -3.221) 5.154 3.304 ( 6.599 -4.037 9.152) 11.984 3.409 ( -3.575 -7.090 -1.861) 8.156 4.041 ( -2.451 -5.594 -1.876) 6.389 4.133 ( -0.364 -2.866 -6.635) 7.237 4.242 ( -5.847 -0.108 -13.013) 14.267 4.394 ( -0.200 2.567 -10.315) 10.632 4.592 ( -1.791 -8.285 -0.216) 8.479 4.781 ( 2.778 -12.486 -1.044) 12.834 5.322 ( -0.074 1.285 0.693) 1.461 5.369 ( 7.298 -0.788 1.189) 7.437 6.307 ( 2.655 -4.148 6.921) 8.494 6.625 ( -2.369 0.624 2.338) 3.387 6.874 ( -1.182 -0.012 -0.071) 1.184 7.056 ( -1.177 -12.117 -5.535) 13.373 7.382 ( -2.823 1.098 3.655) 4.747 7.537 ( 6.192 5.904 0.876) 8.600 7.834 ( -0.905 -7.842 0.711) 7.926 7.943 ( 3.612 -12.215 4.923) 13.657 8.288 ( 2.465 -1.296 -10.846) 11.198 8.654 ( -3.062 -4.333 -2.999) 6.095 9.000 ( -2.555 7.225 -5.442) 9.399 9.081 ( -2.151 5.091 -7.024) 8.938 9.504 ( 4.670 10.874 7.262) 13.885 9.747 ( 0.680 3.676 6.530) 7.524 10.051 ( -3.285 -3.477 7.081) 8.546 10.084 ( -1.266 6.169 0.730) 6.340 10.377 ( -0.379 7.101 6.213) 9.443 10.555 ( -5.373 -1.987 -2.710) 6.337 10.816 ( -1.266 2.973 -5.559) 6.430 10.916 ( -4.205 -0.814 -4.265) 6.044 11.332 ( 8.169 -4.490 5.033) 10.594 11.462 ( 0.853 -10.883 -2.795) 11.269 11.950 ( 0.309 4.866 1.311) 5.049 12.131 ( -1.783 4.473 -3.167) 5.763 12.983 ( 2.637 8.549 1.246) 9.033 13.117 ( -1.794 11.666 -4.340) 12.576 13.329 ( 0.059 -0.011 4.176) 4.176 13.508 ( -2.292 -6.526 -4.188) 8.085 15.498 ( 6.003 2.166 4.291) 7.690 15.614 ( -4.325 -2.996 12.142) 13.233 15.849 ( -9.361 2.179 1.701) 9.760 16.046 ( -4.846 9.162 -3.508) 10.943 16.357 ( 2.776 -4.244 8.182) 9.626 16.781 ( -3.921 8.741 4.017) 10.389 16.923 ( 7.346 17.230 0.120) 18.731 17.165 ( 3.022 11.713 -6.374) 13.674 17.472 ( -1.486 -11.549 -14.345) 18.476 17.750 ( -0.237 -2.240 -10.272) 10.516 18.584 ( -12.859 -12.396 3.245) 18.154 18.900 ( 16.268 -17.256 8.459) 25.178 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 2.041 3.862 -2.563) 5.064 1.832 ( 3.657 9.083 2.560) 10.121 2.094 ( -0.411 5.248 -1.054) 5.368 2.198 ( -4.233 -1.851 1.646) 4.905 2.367 ( 2.329 3.594 6.040) 7.404 2.514 ( 5.899 -2.471 5.772) 8.615 2.707 ( -2.437 -3.078 2.031) 4.420 2.799 ( 4.634 13.611 -1.310) 14.437 2.977 ( 5.533 -1.879 3.823) 6.982 3.012 ( -1.476 3.170 -2.498) 4.298 3.304 ( -3.628 -7.846 -5.667) 10.336 3.482 ( 4.485 -5.671 6.824) 9.943 3.972 ( -0.600 -1.604 -6.856) 7.066 4.042 ( -4.672 -2.474 -3.743) 6.478 4.069 ( 1.363 -0.994 -2.863) 3.323 4.244 ( -1.076 2.403 -12.738) 13.007 4.601 ( 1.040 -7.131 2.634) 7.673 4.787 ( -0.244 -9.657 -2.124) 9.890 5.366 ( 6.155 1.307 -1.163) 6.399 5.555 ( 12.478 -3.824 1.462) 13.133 6.451 ( 2.545 -5.435 7.838) 9.871 6.622 ( 0.007 -3.119 4.261) 5.281 6.858 ( -0.762 -6.593 -1.425) 6.788 6.966 ( -0.537 -1.806 -5.749) 6.050 7.400 ( 0.142 1.002 3.604) 3.744 7.661 ( 6.616 3.166 1.008) 7.404 7.831 ( 0.433 -8.041 -0.069) 8.053 8.040 ( -0.829 -13.610 5.249) 14.611 8.226 ( 3.188 -2.424 -7.247) 8.280 8.542 ( -3.856 -7.845 -6.741) 11.038 8.886 ( -2.568 6.745 -6.514) 9.723 8.984 ( -2.400 5.336 -3.830) 6.993 9.591 ( -2.404 8.269 5.080) 9.998 9.764 ( -5.973 8.227 -2.684) 10.515 10.049 ( -4.892 5.034 6.135) 9.323 10.072 ( -2.199 1.914 7.007) 7.589 10.430 ( -2.359 6.405 4.155) 7.991 10.460 ( -2.653 1.022 1.731) 3.328 10.727 ( -3.312 -0.542 -3.846) 5.104 10.809 ( -3.156 0.581 -3.446) 4.709 11.399 ( 1.521 -7.128 -3.796) 8.218 11.567 ( 9.316 -10.039 1.816) 13.816 11.977 ( -0.498 5.515 1.794) 5.821 12.068 ( -0.069 4.367 -2.815) 5.196 13.003 ( -4.841 14.086 -4.570) 15.580 13.034 ( 0.788 8.285 1.928) 8.542 13.337 ( -1.259 -4.399 -0.343) 4.589 13.505 ( 4.182 -5.156 0.684) 6.674 15.536 ( -17.335 8.921 2.835) 19.701 15.640 ( 1.557 -0.778 6.914) 7.130 15.784 ( 3.733 -2.986 2.879) 5.581 15.993 ( -4.069 4.847 5.799) 8.584 16.499 ( 1.606 -5.131 8.182) 9.790 16.668 ( -7.238 6.188 -1.292) 9.610 16.947 ( -4.632 3.125 -9.617) 11.122 17.201 ( 3.487 8.580 -4.903) 10.479 17.318 ( 4.548 5.218 1.022) 6.997 17.716 ( 6.275 -0.462 -9.094) 11.059 18.349 ( -13.519 -9.963 -4.133) 17.295 19.305 ( 18.970 -17.658 8.282) 27.208 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -4.560 10.397 -3.173) 11.788 1.712 ( -12.887 16.737 -5.225) 21.760 2.129 ( 8.959 2.553 -5.696) 10.919 2.270 ( 2.908 -0.084 5.607) 6.317 2.431 ( -3.006 0.854 -0.045) 3.125 2.569 ( -10.447 4.041 0.816) 11.231 2.700 ( 2.680 -1.899 5.167) 6.123 2.814 ( 4.517 9.245 -3.631) 10.911 3.015 ( 4.121 -0.429 1.494) 4.405 3.105 ( 5.225 -0.341 2.922) 5.996 3.212 ( 0.394 -7.936 -3.361) 8.627 3.636 ( 4.684 -6.036 5.611) 9.479 3.893 ( 1.067 0.041 -9.504) 9.564 3.990 ( 0.458 -1.596 -0.024) 1.660 4.087 ( 1.935 1.232 0.591) 2.369 4.156 ( 2.887 -2.984 -3.636) 5.519 4.663 ( 0.800 -5.214 4.320) 6.819 4.726 ( -3.533 -6.970 -2.635) 8.247 5.511 ( 12.762 0.838 -1.277) 12.854 5.804 ( 15.142 -7.070 1.109) 16.748 6.487 ( -1.404 -6.395 -0.705) 6.585 6.775 ( 5.655 -9.450 4.371) 11.849 6.825 ( 3.124 -4.585 0.890) 5.619 6.935 ( -1.422 -1.381 1.993) 2.811 7.459 ( 2.830 2.405 1.509) 4.008 7.754 ( 3.795 -1.415 -1.155) 4.212 7.858 ( 3.571 -6.413 -0.718) 7.375 8.017 ( -4.406 -8.784 1.140) 9.893 8.228 ( -0.398 -7.055 0.962) 7.131 8.372 ( -6.514 -8.814 -8.273) 13.732 8.754 ( -4.218 5.243 -6.644) 9.456 8.936 ( -2.297 4.109 1.653) 4.990 9.488 ( -9.506 9.287 -7.700) 15.359 9.608 ( -5.531 7.258 1.501) 9.248 9.990 ( -7.108 7.765 1.532) 10.638 10.157 ( -1.640 4.893 8.407) 9.864 10.377 ( -4.033 1.316 -0.239) 4.249 10.473 ( -2.295 3.867 1.327) 4.689 10.651 ( -2.387 0.114 0.890) 2.550 10.738 ( -3.043 0.308 0.514) 3.101 11.397 ( 3.670 -3.577 -3.363) 6.129 11.710 ( 7.687 -9.814 -2.268) 12.671 11.933 ( -2.513 2.891 -2.198) 4.416 12.115 ( 2.506 2.576 4.486) 5.749 12.878 ( -3.647 14.320 -4.004) 15.310 13.058 ( -0.418 7.439 2.506) 7.861 13.341 ( 2.789 -6.711 -0.772) 7.308 13.594 ( 3.752 -3.233 1.706) 5.238 15.254 ( -17.099 11.949 0.398) 20.864 15.678 ( -4.426 -2.962 4.059) 6.696 15.859 ( -0.715 -9.244 1.899) 9.465 16.070 ( 0.840 9.289 12.524) 15.615 16.465 ( -4.346 0.831 -5.565) 7.109 16.663 ( 0.891 -3.308 6.166) 7.054 16.697 ( -6.895 -3.326 -10.059) 12.641 17.182 ( 2.262 4.417 -4.212) 6.509 17.534 ( 7.843 8.813 9.788) 15.329 17.721 ( 2.563 7.420 -3.158) 8.462 18.059 ( -8.931 -6.748 -13.157) 17.274 19.687 ( 16.919 -17.658 5.442) 25.054 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -10.238 16.375 -0.698) 19.325 1.402 ( -13.316 19.396 -7.426) 24.671 2.133 ( -3.347 7.587 -4.436) 9.405 2.271 ( -13.046 9.053 3.156) 16.190 2.364 ( 5.795 3.350 -6.100) 9.056 2.447 ( -0.013 4.691 0.085) 4.692 2.734 ( 0.263 0.529 0.894) 1.072 2.876 ( 4.018 -0.018 -1.695) 4.361 3.206 ( 4.728 -4.491 -0.748) 6.564 3.213 ( 9.122 -2.388 2.355) 9.719 3.258 ( 6.488 -2.250 5.364) 8.714 3.732 ( 1.923 -7.606 2.926) 8.373 3.795 ( 0.418 -1.794 -7.031) 7.268 4.072 ( 4.559 0.316 4.895) 6.697 4.148 ( 3.962 3.239 -0.449) 5.137 4.195 ( 2.038 -6.812 1.437) 7.254 4.609 ( -6.510 0.745 -1.423) 6.705 4.717 ( -0.445 -9.184 2.993) 9.669 5.744 ( 15.879 -0.880 -1.271) 15.954 6.063 ( 14.057 -11.109 0.116) 17.917 6.440 ( -0.123 -7.912 -3.860) 8.804 6.824 ( 6.531 -4.217 -3.674) 8.599 6.929 ( -1.619 -3.248 3.547) 5.075 7.047 ( 7.530 -10.292 8.496) 15.324 7.513 ( 3.168 4.008 -0.660) 5.151 7.754 ( 1.088 -2.396 -5.912) 6.471 7.909 ( 1.201 -8.701 -0.097) 8.784 7.972 ( -2.944 -5.917 3.305) 7.389 8.143 ( -10.546 -7.161 -6.040) 14.106 8.203 ( -4.719 -7.504 1.931) 9.072 8.635 ( -4.420 5.398 0.320) 6.984 8.872 ( -8.128 2.407 0.134) 8.478 9.294 ( -2.799 10.244 -4.189) 11.416 9.559 ( -2.405 6.802 0.333) 7.222 9.866 ( -6.331 11.135 -0.861) 12.838 10.175 ( -3.901 0.129 3.874) 5.499 10.283 ( -4.898 -0.945 -3.603) 6.154 10.411 ( -2.358 1.310 -3.229) 4.207 10.659 ( -1.210 5.462 3.699) 6.706 10.720 ( -2.969 0.744 4.217) 5.211 11.455 ( 5.914 -0.194 -0.487) 5.937 11.778 ( 4.555 -4.303 -3.374) 7.117 11.880 ( -1.654 -3.344 -0.625) 3.783 12.199 ( 0.798 -1.483 4.360) 4.674 12.798 ( -1.067 12.318 -3.400) 12.823 13.091 ( 0.917 8.416 2.323) 8.778 13.401 ( 4.153 -5.502 0.531) 6.913 13.661 ( 3.153 -4.272 0.586) 5.342 14.990 ( -16.101 11.514 2.166) 19.913 15.591 ( -7.134 -1.048 -1.054) 7.287 15.832 ( -4.442 -10.472 3.074) 11.783 16.196 ( -0.601 6.641 4.873) 8.258 16.373 ( -0.054 -2.948 -2.957) 4.176 16.563 ( -1.221 -0.578 -0.571) 1.467 16.732 ( 4.106 -3.389 -1.526) 5.538 17.174 ( 1.318 4.174 -3.306) 5.485 17.602 ( -14.983 -6.400 6.016) 17.367 17.795 ( 3.396 -4.439 -3.632) 6.665 17.866 ( 9.807 24.058 -3.407) 26.202 19.973 ( 12.513 -17.638 1.156) 21.657 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -12.720 17.810 3.522) 22.168 1.230 ( -4.913 24.683 -1.378) 25.205 2.006 ( -2.503 0.325 -3.820) 4.579 2.151 ( -10.118 34.394 8.368) 36.815 2.324 ( 2.192 2.239 -8.510) 9.068 2.528 ( 4.886 -4.852 2.995) 7.509 2.760 ( 2.794 1.597 -2.315) 3.964 2.922 ( 2.746 -0.097 -0.061) 2.748 3.256 ( 2.421 0.967 -2.336) 3.501 3.268 ( 2.157 -7.484 -2.000) 8.041 3.443 ( 5.556 -3.806 -0.951) 6.802 3.749 ( 1.254 -7.231 -0.305) 7.345 3.846 ( 1.857 -4.209 9.042) 10.145 4.164 ( 2.355 3.095 -1.290) 4.097 4.219 ( 2.824 1.094 -0.365) 3.050 4.241 ( 1.424 -5.265 5.498) 7.744 4.486 ( -6.278 2.667 -0.147) 6.823 4.723 ( -1.873 -8.861 1.831) 9.240 5.965 ( 12.090 -4.520 -3.114) 13.278 6.234 ( 6.810 -14.654 -2.147) 16.301 6.423 ( 1.943 -7.052 -1.255) 7.422 6.865 ( -0.358 -8.117 -2.350) 8.458 6.968 ( 8.015 1.219 -4.273) 9.164 7.248 ( 7.602 -9.545 3.836) 12.791 7.550 ( -0.297 1.412 0.410) 1.500 7.671 ( -0.138 1.306 -7.246) 7.364 7.845 ( -4.872 -9.746 -2.953) 11.289 7.923 ( -9.057 -5.936 2.658) 11.150 8.020 ( -0.016 -4.886 2.879) 5.672 8.120 ( -5.773 -6.209 0.420) 8.489 8.643 ( 0.282 0.499 7.020) 7.044 8.731 ( -7.981 4.238 3.320) 9.627 9.305 ( 4.361 10.611 2.855) 11.823 9.481 ( -5.838 11.988 -1.619) 13.432 9.826 ( 0.474 3.708 0.173) 3.742 10.123 ( -4.794 -2.072 -0.879) 5.296 10.148 ( -2.973 -2.107 -6.673) 7.603 10.361 ( 0.973 1.397 -2.137) 2.733 10.670 ( -1.811 7.517 2.264) 8.057 10.707 ( -3.581 1.863 2.830) 4.930 11.571 ( 6.236 0.936 2.009) 6.618 11.777 ( -3.417 1.453 1.638) 4.058 11.888 ( 4.431 -8.603 -1.462) 9.787 12.225 ( -2.184 -4.385 2.124) 5.339 12.761 ( 0.767 10.099 -3.132) 10.601 13.112 ( 0.163 9.964 -1.616) 10.096 13.472 ( 1.383 -3.031 3.154) 4.588 13.735 ( 5.626 -6.671 -0.364) 8.734 14.771 ( -13.704 10.639 4.008) 17.806 15.473 ( -3.087 -0.181 -2.182) 3.785 15.807 ( -3.612 -9.992 4.830) 11.671 16.153 ( -1.209 1.636 -7.013) 7.302 16.376 ( 1.185 -5.359 0.527) 5.514 16.593 ( -1.724 1.346 5.578) 5.992 16.774 ( 7.256 -2.024 -8.529) 11.379 17.123 ( -3.129 0.329 -5.072) 5.969 17.381 ( -8.513 1.542 -0.886) 8.696 17.782 ( 4.212 7.639 -6.995) 11.181 18.116 ( 4.625 11.554 17.816) 21.732 20.118 ( 6.392 -17.440 -3.898) 18.979 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.527 16.473 5.357) 17.678 1.674 ( 1.068 18.504 -0.871) 18.555 1.997 ( 4.542 -2.355 3.762) 6.351 2.312 ( -1.741 8.756 -8.656) 12.435 2.418 ( -0.925 -4.642 0.590) 4.770 2.788 ( -2.256 7.134 -2.756) 7.974 2.869 ( 2.806 4.478 -0.924) 5.364 3.032 ( -1.210 -7.255 -4.933) 8.856 3.084 ( 2.482 13.729 4.748) 14.737 3.211 ( -1.491 -3.501 -5.079) 6.346 3.244 ( -2.235 -8.543 -4.635) 9.973 3.615 ( -0.275 -7.655 1.727) 7.852 3.961 ( 1.196 -0.112 13.076) 13.131 4.087 ( 0.882 -6.257 7.637) 9.913 4.245 ( -1.792 3.879 -3.098) 5.278 4.381 ( -3.530 3.451 0.629) 4.976 4.490 ( 2.460 0.019 3.020) 3.895 4.562 ( -1.622 -4.225 3.721) 5.859 5.890 ( 1.833 -6.487 -5.563) 8.740 5.956 ( 0.042 -10.671 -5.120) 11.836 6.368 ( 0.594 -2.016 3.092) 3.738 6.590 ( -1.507 -9.670 -3.306) 10.331 7.049 ( 2.544 -0.000 -6.652) 7.122 7.132 ( -4.308 -4.255 -4.930) 7.808 7.532 ( 2.549 -0.203 -0.203) 2.565 7.670 ( 1.692 -5.033 -2.628) 5.924 7.701 ( -2.855 1.447 2.773) 4.235 7.795 ( 6.495 -1.427 0.757) 6.693 7.921 ( -3.556 -4.446 0.878) 5.760 7.949 ( 0.792 -5.518 3.169) 6.413 8.714 ( -1.620 0.025 9.708) 9.842 8.746 ( -0.140 -1.851 9.476) 9.656 9.580 ( -1.504 8.326 1.141) 8.538 9.672 ( -0.368 5.515 -1.225) 5.662 9.851 ( 2.608 2.679 -6.024) 7.090 9.942 ( -1.083 -3.536 -6.174) 7.197 10.108 ( 1.790 4.995 -0.446) 5.324 10.359 ( 2.069 -4.184 1.725) 4.976 10.737 ( -1.527 2.724 0.397) 3.148 10.757 ( -1.795 2.406 0.183) 3.007 11.689 ( -1.462 2.616 2.477) 3.888 11.804 ( 2.080 1.500 0.794) 2.685 11.841 ( 3.660 -3.509 3.907) 6.401 12.048 ( -3.495 -6.698 -1.079) 7.632 12.962 ( 0.836 10.475 -2.553) 10.814 13.206 ( -2.072 3.401 -6.581) 7.692 13.510 ( 0.657 0.111 7.080) 7.111 13.664 ( -0.186 -5.059 2.172) 5.509 14.928 ( -1.418 12.797 1.767) 12.996 15.378 ( 0.259 -6.643 -3.663) 7.590 15.704 ( -1.205 -0.683 10.861) 10.949 16.014 ( -0.468 -4.890 -4.616) 6.741 16.299 ( 1.556 -1.351 -6.036) 6.378 16.505 ( 0.539 -5.918 -9.107) 10.874 16.748 ( -4.557 4.354 -6.638) 9.153 16.956 ( 0.513 -4.454 -4.619) 6.437 17.542 ( 2.726 9.232 8.839) 13.069 17.876 ( 2.398 -3.901 10.890) 11.814 18.677 ( -0.416 22.636 3.559) 22.918 19.683 ( -0.627 -21.820 -7.169) 22.976 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 8.559 17.203 4.240) 19.677 1.748 ( 7.889 12.548 2.298) 14.999 2.085 ( 0.448 5.035 -5.671) 7.597 2.240 ( 6.197 6.861 -1.562) 9.377 2.403 ( -2.846 -8.058 -0.029) 8.546 2.690 ( -5.483 2.834 -1.285) 6.304 2.850 ( -4.380 0.079 -4.226) 6.087 2.871 ( -4.586 -10.687 -10.792) 15.865 3.070 ( -3.166 -0.740 0.958) 3.389 3.212 ( -1.334 -6.239 4.171) 7.623 3.242 ( 2.148 10.718 4.089) 11.671 3.571 ( -3.356 -4.593 -3.291) 6.572 4.082 ( -0.454 0.894 7.193) 7.263 4.145 ( -6.389 2.384 0.271) 6.824 4.249 ( 4.032 -0.680 9.943) 10.751 4.313 ( -3.979 2.819 1.064) 4.991 4.547 ( -1.996 -4.235 4.784) 6.694 4.583 ( 0.263 -0.335 1.960) 2.005 5.792 ( -5.562 -6.413 -5.636) 10.190 5.854 ( -4.067 -9.935 -6.485) 12.542 6.402 ( 0.394 -1.713 1.594) 2.372 6.576 ( 4.101 -8.193 -2.085) 9.396 6.876 ( -12.943 -0.130 -6.163) 14.336 6.980 ( -6.012 -3.893 -1.657) 7.352 7.532 ( -4.967 -0.969 -3.470) 6.137 7.611 ( 3.524 -7.057 0.186) 7.890 7.863 ( -2.158 -0.646 0.229) 2.264 7.882 ( 9.232 0.893 2.395) 9.580 7.951 ( 8.410 -2.793 -1.672) 9.018 8.032 ( 7.572 -5.034 4.058) 9.957 8.842 ( 2.514 0.236 11.355) 11.632 8.908 ( 2.563 -2.806 12.703) 13.259 9.593 ( 1.281 6.371 1.021) 6.578 9.612 ( -0.860 2.146 -2.402) 3.334 9.794 ( 1.483 0.298 -10.026) 10.140 9.889 ( 3.742 -0.633 -8.439) 9.253 10.211 ( 6.438 6.881 2.576) 9.769 10.404 ( 1.336 -1.940 -0.882) 2.515 10.713 ( -0.937 3.322 1.035) 3.603 10.754 ( 0.911 1.102 1.279) 1.918 11.621 ( -6.877 2.975 1.600) 7.662 11.839 ( -5.805 -5.481 2.282) 8.303 11.933 ( 3.262 -0.310 2.255) 3.978 12.033 ( 4.474 -2.762 0.726) 5.308 12.970 ( 3.390 9.060 -1.844) 9.848 13.107 ( -0.534 4.626 -5.615) 7.295 13.557 ( -4.237 0.276 6.169) 7.489 13.645 ( -4.241 -3.415 1.752) 5.720 15.013 ( 7.918 11.094 1.802) 13.749 15.374 ( 3.568 -6.743 -3.324) 8.321 15.826 ( 0.194 -1.326 9.467) 9.561 15.955 ( 2.394 3.527 -6.524) 7.794 16.267 ( 1.272 -7.645 -6.557) 10.152 16.423 ( 3.740 -8.499 -6.535) 11.355 16.616 ( -2.444 7.038 -3.473) 8.220 16.959 ( 5.371 -7.811 -5.246) 10.834 17.687 ( 1.024 12.575 10.033) 16.120 17.985 ( -0.792 5.175 4.548) 6.935 18.692 ( -5.757 11.272 9.343) 15.732 19.516 ( -7.163 -20.428 -10.781) 24.184 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.528 14.419 1.417) 14.912 1.944 ( 6.852 10.193 -0.451) 12.291 1.992 ( 5.119 7.013 -9.064) 12.552 2.272 ( -8.328 -2.866 -5.905) 10.604 2.348 ( 4.157 2.407 -1.768) 5.119 2.602 ( -7.896 -1.002 -2.276) 8.278 2.642 ( -6.964 -4.506 5.719) 10.075 2.758 ( 0.598 -11.525 -8.861) 14.550 3.079 ( -1.396 2.577 3.881) 4.864 3.220 ( -2.391 -2.553 3.664) 5.066 3.341 ( 1.242 2.874 7.521) 8.146 3.444 ( -4.847 -1.380 -6.372) 8.124 3.991 ( -6.885 2.902 -1.187) 7.565 4.169 ( -3.566 -1.662 3.532) 5.287 4.253 ( -0.670 4.318 3.387) 5.529 4.444 ( 4.074 1.290 7.976) 9.048 4.553 ( -2.806 -1.652 4.790) 5.792 4.600 ( -0.521 -4.732 1.291) 4.932 5.611 ( -8.584 -5.160 -3.917) 10.754 5.688 ( -7.122 -9.239 -5.442) 12.872 6.431 ( 0.799 0.326 0.238) 0.895 6.587 ( -7.406 1.180 -3.314) 8.199 6.683 ( 5.240 -5.856 -2.357) 8.204 6.854 ( -8.359 -11.122 1.299) 13.973 7.444 ( -2.159 2.181 -1.694) 3.505 7.647 ( 0.487 -8.731 -0.068) 8.745 7.818 ( -2.081 0.392 -1.052) 2.364 7.921 ( -2.244 -2.130 0.846) 3.207 8.168 ( 13.965 0.865 1.970) 14.129 8.248 ( 11.921 -3.038 1.531) 12.397 9.012 ( 2.978 0.469 9.320) 9.795 9.073 ( 0.580 -1.594 10.454) 10.591 9.553 ( 1.333 2.161 -4.877) 5.498 9.681 ( 4.274 -3.503 -3.058) 6.316 9.745 ( 4.813 5.584 -3.184) 8.031 9.876 ( 5.649 1.828 -6.888) 9.094 10.295 ( 2.917 4.588 -1.768) 5.717 10.373 ( -0.282 1.592 -5.097) 5.348 10.769 ( 3.534 2.682 4.483) 6.307 10.812 ( 2.725 0.205 3.107) 4.137 11.524 ( -6.615 0.530 1.413) 6.785 11.695 ( -10.621 -6.888 -0.668) 12.677 11.990 ( 3.157 3.643 -1.540) 5.061 12.148 ( 3.576 -1.895 4.519) 6.066 13.038 ( 5.381 7.446 -0.289) 9.191 13.085 ( 3.899 6.667 -2.519) 8.124 13.518 ( -7.272 -0.626 5.567) 9.180 13.570 ( -5.870 -2.449 -0.344) 6.370 15.182 ( 9.279 7.263 0.646) 11.802 15.413 ( 5.000 -5.645 -2.754) 8.028 15.823 ( -1.025 4.410 -4.610) 6.461 16.039 ( 4.362 6.260 8.017) 11.067 16.181 ( 0.950 -7.016 -8.996) 11.448 16.522 ( 8.942 -5.411 -2.031) 10.647 16.633 ( 6.966 -0.332 4.512) 8.306 17.003 ( 7.261 -10.230 -5.986) 13.900 17.779 ( -1.787 15.296 6.294) 16.636 17.940 ( -4.878 14.420 -2.974) 15.510 18.705 ( -9.350 -2.284 15.157) 17.955 19.214 ( -12.396 -18.571 -13.181) 25.928 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.730 9.009 -1.261) 9.126 1.877 ( -2.641 6.254 -5.687) 8.856 2.046 ( -8.216 3.064 -5.638) 10.425 2.075 ( 7.641 5.385 -7.105) 11.742 2.400 ( 1.058 0.121 3.201) 3.374 2.463 ( -5.469 0.740 1.423) 5.699 2.636 ( -0.944 -7.222 -0.925) 7.342 2.713 ( -1.048 -7.693 0.611) 7.788 3.057 ( -3.828 4.929 0.525) 6.263 3.228 ( -1.443 2.134 3.025) 3.973 3.280 ( -4.998 -1.010 -6.110) 7.958 3.428 ( -1.907 -3.348 5.973) 7.108 3.907 ( -1.404 2.556 0.365) 2.939 4.114 ( -2.678 1.574 -0.276) 3.119 4.300 ( -1.490 -6.535 4.909) 8.308 4.540 ( 0.623 -5.258 -1.323) 5.458 4.572 ( -0.637 1.358 4.816) 5.044 4.616 ( 1.201 -0.049 1.844) 2.201 5.446 ( -7.234 -3.638 -1.298) 8.201 5.517 ( -7.412 -7.273 -2.772) 10.748 6.330 ( -6.825 1.973 -3.412) 7.881 6.559 ( 1.770 1.341 2.239) 3.153 6.744 ( -3.244 -9.032 2.313) 9.872 6.801 ( 6.233 -9.844 -0.825) 11.680 7.404 ( -2.261 3.569 0.297) 4.235 7.627 ( -1.687 -6.401 -1.155) 6.720 7.775 ( -1.007 0.442 -2.102) 2.373 7.880 ( -3.089 -1.444 0.327) 3.425 8.394 ( 8.720 0.027 0.047) 8.720 8.441 ( 9.454 -1.470 2.735) 9.951 9.128 ( 1.474 2.318 3.360) 4.340 9.170 ( 2.408 0.725 6.320) 6.802 9.536 ( 0.751 0.751 -1.690) 1.996 9.679 ( 2.608 -6.373 -5.923) 9.083 9.801 ( 3.267 7.224 -3.636) 8.723 9.943 ( 7.039 0.954 -0.964) 7.169 10.316 ( 2.051 4.383 -2.402) 5.403 10.337 ( 4.604 2.827 -2.373) 5.901 10.876 ( 3.504 1.056 2.585) 4.481 10.913 ( 3.742 0.110 4.724) 6.027 11.429 ( -6.235 -2.274 -0.054) 6.637 11.498 ( -10.194 -5.381 -2.216) 11.738 12.016 ( 2.073 5.984 -1.176) 6.441 12.224 ( 0.826 -2.088 2.463) 3.333 13.098 ( 3.638 7.954 -1.735) 8.917 13.184 ( 6.730 7.249 0.583) 9.908 13.437 ( -6.682 -0.094 -1.822) 6.926 13.485 ( -4.646 -5.305 5.656) 9.039 15.300 ( 5.290 3.364 -1.503) 6.446 15.485 ( 4.574 -5.331 1.150) 7.117 15.761 ( -0.507 8.517 -2.980) 9.038 16.120 ( 0.923 -6.046 -4.832) 7.795 16.240 ( 7.155 11.155 10.477) 16.893 16.627 ( 10.213 5.399 -4.981) 12.580 16.933 ( 15.625 -12.695 9.769) 22.377 17.062 ( 7.682 -10.747 -5.924) 14.478 17.696 ( -5.986 18.727 -9.680) 21.914 17.853 ( -5.238 14.172 4.702) 15.824 18.702 ( -11.874 -10.376 14.672) 21.539 18.825 ( -15.642 -16.313 -13.287) 26.217 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -5.467 9.674 -0.243) 11.114 1.845 ( -1.770 4.108 2.566) 5.157 1.882 ( -2.359 3.321 -7.051) 8.144 2.103 ( 6.492 0.820 -5.482) 8.536 2.370 ( -3.441 -0.832 -0.530) 3.580 2.478 ( -1.879 2.433 5.415) 6.227 2.617 ( -1.780 -5.406 1.104) 5.798 2.692 ( -2.174 -4.813 1.173) 5.410 3.009 ( -1.153 4.356 0.521) 4.536 3.142 ( -4.001 1.375 -4.892) 6.467 3.242 ( -0.714 4.588 2.456) 5.253 3.411 ( -3.719 -4.513 1.394) 6.012 3.954 ( 3.576 -0.160 2.736) 4.505 4.076 ( -0.639 0.669 -2.306) 2.484 4.324 ( -1.121 -11.133 4.152) 11.935 4.466 ( -4.559 -11.697 -3.356) 12.995 4.607 ( 1.974 2.626 -3.616) 4.885 4.649 ( 1.431 2.089 -0.483) 2.578 5.342 ( -4.668 -2.235 0.037) 5.175 5.390 ( -5.585 -3.811 0.117) 6.762 6.219 ( -3.230 1.612 -1.125) 3.781 6.571 ( -2.423 -8.190 1.046) 8.605 6.785 ( 3.771 -3.809 3.659) 6.490 6.899 ( 3.960 -3.639 0.828) 5.442 7.373 ( -2.285 2.876 1.690) 4.043 7.578 ( -1.880 -3.892 -1.469) 4.565 7.738 ( -0.185 0.685 -2.579) 2.675 7.834 ( -2.464 -0.891 0.048) 2.620 8.443 ( 3.524 1.199 -7.320) 8.212 8.592 ( 3.712 -4.405 1.760) 6.023 9.180 ( 2.852 6.041 0.458) 6.696 9.315 ( 5.395 5.444 7.318) 10.597 9.542 ( 1.190 -2.353 0.967) 2.809 9.582 ( -3.701 -0.400 -9.593) 10.290 9.825 ( 1.855 1.637 2.045) 3.210 10.045 ( 6.138 -1.424 -1.072) 6.391 10.365 ( 3.487 6.036 2.866) 7.537 10.441 ( 6.591 0.687 1.497) 6.794 10.948 ( 2.560 0.677 1.011) 2.834 11.010 ( 2.882 -0.368 1.831) 3.434 11.270 ( -8.702 -0.847 -3.687) 9.489 11.361 ( -5.036 -6.676 -0.715) 8.393 12.037 ( 1.487 6.389 -0.402) 6.572 12.240 ( -0.661 -1.467 0.691) 1.751 13.116 ( 1.251 8.262 -2.552) 8.737 13.270 ( 3.004 6.201 -0.512) 6.909 13.318 ( -3.188 -1.484 -2.651) 4.404 13.512 ( -1.165 -5.410 5.778) 8.001 15.357 ( 3.566 3.637 0.083) 5.094 15.548 ( -1.259 -2.859 3.502) 4.693 15.773 ( 3.161 5.773 1.918) 6.855 16.091 ( -0.518 -6.840 -0.729) 6.898 16.485 ( 7.298 16.261 8.347) 19.681 16.766 ( 12.587 9.721 -3.580) 16.302 17.112 ( 5.732 -7.032 -5.538) 10.629 17.284 ( 10.019 -7.774 6.075) 14.062 17.484 ( 0.347 9.005 -11.563) 14.660 17.826 ( -3.799 10.387 4.700) 12.017 18.396 ( -15.512 -14.328 -13.562) 25.097 18.651 ( -13.582 -13.727 12.218) 22.851 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -3.632 7.936 -1.215) 8.812 1.769 ( -3.276 0.362 -2.068) 3.891 1.935 ( 6.131 7.240 5.399) 10.916 2.208 ( 8.240 -2.259 0.207) 8.547 2.323 ( -0.817 1.177 -0.270) 1.457 2.458 ( -5.442 0.693 2.196) 5.909 2.602 ( -3.958 -2.981 5.898) 7.703 2.693 ( 1.075 -3.857 0.831) 4.089 2.996 ( -2.036 2.397 -2.099) 3.781 3.093 ( 2.741 4.076 1.000) 5.012 3.254 ( -0.885 5.756 2.565) 6.363 3.365 ( -2.603 -3.462 -0.281) 4.340 4.015 ( -0.889 -2.523 -1.478) 3.056 4.055 ( 2.635 -0.867 -0.275) 2.787 4.323 ( -5.280 -11.603 -3.521) 13.225 4.370 ( 1.359 -11.245 0.197) 11.328 4.552 ( 0.928 2.527 -9.517) 9.891 4.635 ( 0.152 -0.722 -5.060) 5.114 5.291 ( -1.391 -1.076 0.625) 1.866 5.337 ( -2.362 -1.699 1.604) 3.322 6.192 ( -0.060 0.583 1.144) 1.286 6.536 ( -1.659 -11.833 -0.481) 11.958 6.876 ( -0.034 -1.032 2.672) 2.865 6.941 ( 1.054 0.467 1.376) 1.795 7.377 ( -1.485 0.715 4.099) 4.418 7.555 ( 0.559 -2.285 0.408) 2.387 7.718 ( 1.362 0.310 -2.292) 2.684 7.800 ( -1.367 -0.828 -0.539) 1.687 8.382 ( 2.456 2.086 -11.185) 11.640 8.599 ( -0.171 -7.036 -4.668) 8.446 9.198 ( -0.812 7.468 -1.236) 7.613 9.366 ( -4.434 3.793 -9.487) 11.137 9.530 ( 5.677 6.995 7.265) 11.573 9.627 ( 3.885 -3.038 7.094) 8.640 9.898 ( 0.208 -0.653 7.195) 7.227 10.123 ( 3.438 -1.745 0.626) 3.906 10.460 ( 0.559 6.012 6.409) 8.805 10.542 ( 2.141 -0.768 1.854) 2.934 10.961 ( -0.560 0.676 -2.864) 2.995 11.006 ( -1.967 -0.311 -6.212) 6.523 11.163 ( 0.250 0.219 1.635) 1.669 11.291 ( -1.730 -7.614 -1.153) 7.893 12.055 ( 0.846 6.278 0.113) 6.336 12.228 ( -0.999 -0.138 -0.221) 1.033 13.094 ( 0.900 5.218 -3.373) 6.278 13.266 ( -0.058 -2.744 -0.995) 2.919 13.305 ( 1.999 6.329 -1.362) 6.775 13.528 ( -3.259 -2.999 2.529) 5.100 15.438 ( 3.256 3.973 4.061) 6.549 15.547 ( -3.179 0.319 4.783) 5.752 15.865 ( 0.867 1.603 5.815) 6.093 16.098 ( 0.791 -6.949 2.709) 7.501 16.569 ( -2.683 17.204 -2.141) 17.543 16.968 ( 6.144 15.239 5.511) 17.331 17.134 ( 7.564 5.228 -5.406) 10.666 17.254 ( 0.681 -1.858 -8.648) 8.871 17.505 ( 2.062 -0.787 -9.866) 10.110 17.898 ( -3.328 5.299 7.298) 9.613 18.091 ( 3.116 -21.054 -5.828) 22.067 18.536 ( -12.734 -14.981 7.093) 20.901 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 3.169 5.700 -1.814) 6.769 1.759 ( 5.941 0.349 -1.715) 6.194 2.104 ( 1.949 4.056 8.423) 9.550 2.306 ( 1.095 -5.544 4.336) 7.123 2.366 ( -0.018 5.056 2.041) 5.453 2.403 ( 0.938 5.810 0.533) 5.909 2.623 ( -1.535 -3.429 5.060) 6.302 2.745 ( 3.091 -6.819 2.973) 8.056 2.967 ( 0.905 7.535 0.042) 7.589 3.128 ( 0.859 0.561 -3.665) 3.806 3.296 ( -0.363 0.905 1.768) 2.019 3.323 ( -1.141 1.185 4.684) 4.964 3.962 ( -2.469 -1.524 -0.942) 3.051 4.074 ( 0.058 -2.079 -2.182) 3.014 4.179 ( -2.637 -5.076 -8.342) 10.114 4.396 ( 1.477 -4.181 -5.170) 6.811 4.465 ( 1.842 -3.701 -6.367) 7.591 4.550 ( 0.279 -6.016 -7.942) 9.967 5.315 ( 1.910 -1.316 1.375) 2.697 5.343 ( 2.415 -1.647 1.083) 3.117 6.245 ( 2.751 -0.717 4.252) 5.115 6.514 ( 0.245 -11.106 -1.021) 11.156 6.829 ( -6.008 1.676 1.381) 6.388 6.971 ( -0.542 -1.343 0.614) 1.573 7.401 ( -1.572 1.476 4.852) 5.309 7.603 ( 2.130 -3.024 2.527) 4.480 7.733 ( 3.044 -0.528 -2.018) 3.690 7.785 ( 0.358 -2.160 0.366) 2.220 8.290 ( 2.696 1.751 -12.479) 12.886 8.507 ( -1.103 -7.755 -9.035) 11.958 9.132 ( -3.347 5.554 -3.887) 7.560 9.197 ( -4.108 3.883 -6.461) 8.585 9.673 ( 0.309 5.020 8.668) 10.021 9.810 ( 4.676 0.090 8.504) 9.705 9.985 ( -1.060 1.328 9.488) 9.639 10.164 ( -1.170 -0.352 2.700) 2.964 10.500 ( -3.680 4.068 5.334) 7.652 10.552 ( -2.774 1.926 2.898) 4.451 10.864 ( -2.355 1.402 -8.526) 8.956 10.896 ( -2.472 -0.979 -4.807) 5.493 11.253 ( 5.959 -2.878 1.768) 6.849 11.277 ( 2.093 -6.050 -1.897) 6.677 12.073 ( 0.458 6.119 1.408) 6.296 12.201 ( -1.354 1.547 -1.543) 2.570 13.091 ( 2.793 2.256 -2.462) 4.354 13.227 ( 0.818 -2.822 -7.134) 7.716 13.359 ( 1.997 4.632 4.404) 6.696 13.458 ( -6.314 1.181 0.227) 6.427 15.538 ( 0.499 0.986 7.053) 7.139 15.568 ( -1.711 -0.562 6.350) 6.601 15.912 ( -2.910 4.443 6.388) 8.308 16.181 ( 1.362 -4.397 5.631) 7.273 16.407 ( -8.761 15.397 -3.916) 18.143 16.965 ( -5.452 8.448 -0.854) 10.090 17.158 ( -5.439 -14.113 -12.224) 19.447 17.207 ( -1.018 3.565 -3.279) 4.949 17.464 ( 12.736 16.330 -2.649) 20.877 17.800 ( 0.152 8.970 -4.429) 10.005 18.274 ( -2.914 -17.011 2.480) 17.436 18.500 ( 10.617 -19.848 6.660) 23.474 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 7.053 6.992 -3.136) 10.415 1.932 ( 13.334 -0.747 1.202) 13.408 2.186 ( -0.127 3.361 6.224) 7.075 2.262 ( -6.944 8.058 -3.817) 11.301 2.425 ( 3.887 -3.524 7.694) 9.312 2.480 ( 1.806 5.183 3.971) 6.775 2.615 ( -4.702 -5.276 0.394) 7.078 2.859 ( 3.940 -7.674 4.353) 9.662 3.008 ( 2.097 3.038 0.716) 3.760 3.057 ( -1.321 -0.969 -6.407) 6.613 3.261 ( -1.278 6.143 0.293) 6.281 3.438 ( 1.621 0.328 9.273) 9.419 3.931 ( -0.365 -0.629 0.119) 0.737 4.009 ( -1.325 -1.779 -6.891) 7.239 4.095 ( 3.429 4.256 -5.316) 7.625 4.279 ( -1.376 1.232 -13.774) 13.897 4.431 ( 0.679 -7.277 -2.612) 7.762 4.552 ( 4.112 -12.902 -1.370) 13.611 5.374 ( 5.210 -0.205 0.418) 5.231 5.458 ( 8.372 -4.726 1.854) 9.791 6.370 ( 4.608 -2.011 5.328) 7.326 6.512 ( 1.441 -7.470 -1.938) 7.851 6.752 ( -4.615 0.096 2.061) 5.055 6.930 ( -4.416 -3.545 0.436) 5.680 7.445 ( 0.434 2.999 4.964) 5.816 7.645 ( -0.273 -5.095 1.552) 5.333 7.765 ( 4.365 0.950 -2.620) 5.179 7.831 ( 1.123 -5.445 3.911) 6.797 8.199 ( 2.264 0.235 -10.997) 11.230 8.371 ( -1.645 -7.456 -10.927) 13.331 9.015 ( -4.832 5.135 -4.227) 8.221 9.078 ( -4.414 2.695 -2.597) 5.787 9.733 ( -3.304 5.308 5.886) 8.587 9.863 ( -5.468 0.236 -0.262) 5.479 10.061 ( -4.173 3.499 9.317) 10.792 10.185 ( -1.584 2.156 9.182) 9.564 10.500 ( -1.954 2.924 2.045) 4.068 10.542 ( -3.844 2.918 7.171) 8.644 10.720 ( -2.309 0.516 -9.623) 9.910 10.801 ( -2.881 -1.376 -4.540) 5.550 11.295 ( 4.448 -2.378 -2.823) 5.780 11.394 ( 7.876 -6.332 0.579) 10.122 12.093 ( -1.343 5.037 1.666) 5.473 12.150 ( -1.341 2.817 -2.076) 3.747 13.114 ( 1.059 0.493 -2.223) 2.512 13.170 ( 4.017 -2.213 -6.524) 7.975 13.326 ( -7.699 6.879 0.478) 10.336 13.464 ( 2.841 0.371 4.007) 4.926 15.599 ( -2.091 -1.114 4.804) 5.356 15.613 ( -4.956 -2.125 11.288) 12.510 15.887 ( -6.394 11.389 -1.890) 13.197 16.160 ( -4.519 8.358 4.623) 10.566 16.381 ( 0.008 -3.890 8.121) 9.004 16.824 ( -8.013 8.382 -2.613) 11.887 16.836 ( -11.576 -11.852 -11.897) 20.396 17.169 ( 0.322 -5.305 -3.112) 6.159 17.597 ( 3.868 11.933 -4.552) 13.345 17.906 ( 13.555 19.321 2.065) 23.692 18.114 ( -7.381 -12.027 -7.381) 15.925 18.879 ( 19.133 -22.354 7.663) 30.405 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 3.417 12.300 -1.924) 12.909 2.027 ( -12.158 10.820 -6.159) 17.402 2.154 ( 10.643 0.008 0.667) 10.663 2.305 ( 4.975 3.037 1.501) 6.019 2.462 ( -6.416 -1.440 -5.062) 8.298 2.525 ( -1.993 1.859 5.062) 5.749 2.637 ( 9.266 -4.965 6.544) 12.382 2.932 ( 2.487 -7.306 1.121) 7.799 3.000 ( 2.201 -3.514 -2.594) 4.891 3.043 ( -0.097 1.576 1.937) 2.499 3.256 ( -1.645 11.122 3.356) 11.733 3.556 ( 1.461 -2.289 5.478) 6.115 3.891 ( 0.350 0.863 -10.404) 10.445 3.989 ( 3.725 1.429 3.358) 5.215 4.096 ( -1.430 -1.258 -11.661) 11.816 4.158 ( 5.846 5.057 0.270) 7.734 4.439 ( 1.396 -11.005 -0.011) 11.093 4.597 ( 1.683 -9.178 0.125) 9.332 5.513 ( 10.718 -0.161 0.216) 10.721 5.645 ( 11.033 -7.182 1.646) 13.267 6.412 ( -0.894 -0.542 -3.510) 3.663 6.584 ( 6.049 -8.013 2.253) 10.290 6.746 ( 1.305 -2.045 2.826) 3.724 6.865 ( -4.534 -4.910 2.959) 7.310 7.522 ( 2.222 2.990 4.210) 5.621 7.649 ( -0.530 -5.299 1.397) 5.506 7.812 ( 3.982 -0.279 -2.523) 4.722 7.876 ( -1.734 -4.205 4.283) 6.247 8.122 ( 0.492 -3.008 -6.741) 7.398 8.207 ( -3.310 -6.459 -11.242) 13.381 8.879 ( -6.955 5.526 -2.119) 9.132 8.988 ( -5.859 0.712 1.212) 6.026 9.665 ( -7.390 6.858 -4.690) 11.120 9.719 ( -6.185 3.368 0.440) 7.057 10.068 ( -5.649 2.741 7.439) 9.735 10.252 ( -4.946 -0.017 7.909) 9.328 10.439 ( -5.957 5.232 -0.977) 7.988 10.532 ( -5.236 2.122 -1.392) 5.819 10.654 ( 2.225 0.098 2.507) 3.353 10.719 ( -0.514 -2.078 -3.144) 3.804 11.362 ( 6.593 0.341 -1.853) 6.857 11.523 ( 8.038 -7.317 -1.464) 10.968 12.026 ( -4.247 4.949 -2.605) 7.023 12.145 ( -1.060 0.125 2.280) 2.517 13.080 ( 0.051 3.556 -3.104) 4.720 13.204 ( 0.941 -4.180 -0.240) 4.292 13.244 ( 0.932 9.821 -0.590) 9.883 13.541 ( 1.657 -2.701 2.381) 3.963 15.539 ( -16.203 11.995 6.230) 21.100 15.620 ( -4.604 -2.040 5.971) 7.811 15.732 ( -3.106 -0.479 -4.313) 5.336 16.187 ( -4.236 -2.189 4.773) 6.746 16.434 ( -1.754 -0.980 5.251) 5.622 16.603 ( -5.142 -3.463 -4.700) 7.779 16.700 ( -2.772 6.192 0.744) 6.825 17.153 ( -0.456 -8.331 1.014) 8.405 17.561 ( 0.230 4.072 -5.938) 7.204 17.880 ( -7.270 -7.518 -9.598) 14.195 18.198 ( 16.274 25.539 0.508) 30.288 19.258 ( 16.987 -22.744 5.115) 28.844 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -9.891 15.211 -3.831) 18.544 1.782 ( -5.405 15.794 -2.647) 16.902 2.148 ( -8.655 -3.399 -9.058) 12.981 2.312 ( 4.773 -4.220 3.076) 7.075 2.495 ( 2.926 8.449 -4.681) 10.093 2.560 ( 5.205 6.272 6.723) 10.565 2.800 ( 4.969 -1.718 -0.217) 5.262 3.009 ( 0.396 7.841 -4.076) 8.846 3.034 ( 3.095 -6.807 1.007) 7.545 3.118 ( 8.589 -3.980 8.886) 12.983 3.295 ( 0.537 4.079 3.104) 5.153 3.592 ( -0.074 -5.166 -0.859) 5.238 3.771 ( -1.065 0.174 -6.902) 6.986 4.007 ( -0.422 -9.139 -0.881) 9.191 4.136 ( 6.589 5.212 5.423) 10.000 4.251 ( 4.960 5.864 -1.386) 7.804 4.465 ( 0.685 -9.259 1.514) 9.407 4.603 ( -1.515 -6.155 0.516) 6.359 5.709 ( 12.247 -1.760 -1.122) 12.423 5.837 ( 10.029 -9.206 0.013) 13.614 6.350 ( -0.789 0.008 -3.205) 3.301 6.661 ( 1.109 -10.467 0.785) 10.555 6.865 ( 6.860 -3.337 0.989) 7.693 6.880 ( 4.839 -4.268 3.732) 7.454 7.602 ( 2.236 3.329 2.959) 4.983 7.657 ( 0.151 -3.678 -0.377) 3.701 7.803 ( -1.532 -2.202 -2.995) 4.021 7.883 ( -2.251 -3.013 3.158) 4.911 8.010 ( -6.149 -4.880 -8.630) 11.666 8.064 ( -2.430 -5.639 -1.281) 6.273 8.747 ( -8.587 4.970 2.205) 10.164 8.885 ( -9.637 -1.063 2.877) 10.113 9.517 ( -1.987 9.906 -3.607) 10.728 9.659 ( -1.004 2.805 -0.139) 2.983 10.032 ( -5.467 3.898 1.758) 6.941 10.173 ( -7.927 -1.000 -0.670) 8.018 10.296 ( -7.213 2.861 -2.618) 8.189 10.424 ( -4.879 -0.052 -1.906) 5.238 10.720 ( 0.495 0.373 2.639) 2.711 10.737 ( 1.469 1.027 3.452) 3.890 11.468 ( 7.415 1.530 -0.353) 7.579 11.630 ( 7.649 -6.656 -2.570) 10.461 11.928 ( -4.588 4.807 -1.250) 6.762 12.140 ( -2.634 -3.958 2.343) 5.300 13.038 ( -1.612 9.189 -2.071) 9.556 13.249 ( 2.622 3.620 5.060) 6.752 13.295 ( 5.145 -0.638 -3.119) 6.050 13.576 ( 0.812 -4.589 0.965) 4.759 15.276 ( -17.159 13.853 0.864) 22.070 15.601 ( -4.022 2.698 -2.707) 5.548 15.632 ( -7.809 -7.284 6.815) 12.668 16.116 ( -3.786 -12.430 -0.492) 13.003 16.445 ( -2.215 6.465 -4.018) 7.928 16.544 ( 0.166 -0.737 3.997) 4.068 16.741 ( 3.726 4.855 2.118) 6.477 17.163 ( -3.462 -7.264 4.230) 9.091 17.493 ( -3.290 -0.102 -1.565) 3.645 17.683 ( 0.174 -5.500 -10.748) 12.075 18.445 ( 11.514 28.249 1.444) 30.539 19.543 ( 12.434 -22.896 1.404) 26.092 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -7.611 16.279 -0.540) 17.979 1.710 ( -3.108 20.630 -0.873) 20.881 1.967 ( -3.164 -4.527 -2.495) 6.061 2.370 ( 0.554 -8.890 -0.431) 8.917 2.463 ( 0.145 10.514 -5.004) 11.645 2.741 ( 5.592 14.733 5.791) 16.789 2.844 ( 2.612 3.364 -2.423) 4.900 2.988 ( 2.550 10.127 -1.238) 10.516 3.073 ( 1.485 -6.588 -1.377) 6.892 3.278 ( 0.115 -1.278 -2.833) 3.110 3.320 ( 3.015 -7.042 -2.797) 8.155 3.565 ( 1.399 -9.257 0.007) 9.362 3.794 ( 1.284 -0.279 9.744) 9.832 4.026 ( -0.737 -9.806 4.709) 10.903 4.277 ( 2.422 5.194 -3.718) 6.832 4.309 ( 5.771 5.166 5.106) 9.277 4.484 ( -1.212 -2.576 1.231) 3.102 4.566 ( -3.237 -6.361 1.630) 7.321 5.858 ( 8.233 -4.597 -3.887) 10.200 5.955 ( 5.390 -10.712 -2.579) 12.266 6.333 ( 0.465 -0.622 0.699) 1.045 6.652 ( -2.475 -11.534 -0.186) 11.798 6.989 ( 10.669 0.244 -4.115) 11.438 7.066 ( 10.729 -6.209 0.775) 12.421 7.588 ( -2.983 1.797 -3.008) 4.602 7.689 ( 0.609 -0.563 -6.035) 6.091 7.707 ( -2.220 -2.328 2.863) 4.306 7.818 ( -7.898 -4.086 2.674) 9.285 7.914 ( -0.822 -4.130 1.678) 4.533 7.994 ( -4.886 -5.497 -0.207) 7.357 8.669 ( -5.059 1.948 5.882) 7.999 8.757 ( -9.125 -0.950 4.778) 10.344 9.534 ( 4.094 10.200 1.444) 11.086 9.669 ( 0.960 5.241 -0.418) 5.344 9.923 ( -4.452 4.477 -3.913) 7.428 10.043 ( -4.268 -3.759 -3.546) 6.702 10.161 ( -5.012 2.426 -2.376) 6.054 10.346 ( -1.967 -2.906 -0.568) 3.555 10.745 ( -0.746 1.941 1.770) 2.731 10.774 ( -1.007 2.134 2.071) 3.139 11.595 ( 6.868 1.528 1.408) 7.175 11.729 ( 6.661 -5.595 -0.655) 8.724 11.846 ( -4.600 4.601 0.298) 6.513 12.109 ( -3.653 -6.375 1.328) 7.466 12.991 ( -0.924 11.021 -2.178) 11.272 13.290 ( 0.542 4.293 -4.793) 6.457 13.391 ( 3.807 -1.926 6.668) 7.916 13.614 ( 2.546 -5.240 1.389) 5.989 15.032 ( -12.184 12.961 0.946) 17.814 15.459 ( -4.249 -4.432 -4.826) 7.809 15.638 ( -4.437 -0.981 9.630) 10.649 16.065 ( -2.459 -11.213 -0.334) 11.485 16.359 ( 1.019 4.419 -8.247) 9.412 16.564 ( 0.525 -3.567 -2.572) 4.429 16.815 ( 2.107 5.191 -0.720) 5.649 17.076 ( -7.113 -4.629 -3.395) 9.141 17.445 ( 0.131 4.454 1.722) 4.777 17.710 ( 4.089 -7.315 6.299) 10.483 18.607 ( 5.744 27.567 1.595) 28.204 19.693 ( 6.257 -22.637 -2.896) 23.664 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 3.707 -9.834 1.271) 10.586 1.770 ( 3.707 9.834 1.271) 10.586 2.121 ( 0.046 -14.385 3.473) 14.799 2.121 ( 0.046 14.386 3.473) 14.799 2.654 ( 0.060 -14.368 -9.617) 17.290 2.654 ( 0.060 14.368 -9.617) 17.290 2.964 ( -1.534 -5.806 -4.883) 7.739 2.964 ( -1.534 5.806 -4.883) 7.740 3.130 ( -2.862 -2.412 -3.704) 5.266 3.130 ( -2.862 2.412 -3.704) 5.266 3.416 ( 2.577 -12.497 3.991) 13.369 3.416 ( 2.577 12.497 3.991) 13.370 3.991 ( 1.065 -2.895 13.646) 13.990 3.991 ( 1.065 2.895 13.646) 13.990 4.342 ( -3.290 -5.214 -2.795) 6.769 4.342 ( -3.290 5.214 -2.795) 6.769 4.515 ( 0.923 -2.154 4.631) 5.190 4.515 ( 0.923 2.154 4.631) 5.190 5.825 ( 0.922 -1.290 -5.473) 5.698 5.825 ( 0.922 1.290 -5.473) 5.698 6.410 ( -0.275 -6.134 0.171) 6.142 6.410 ( -0.275 6.134 0.171) 6.143 7.065 ( -0.053 -1.901 -5.461) 5.783 7.065 ( -0.053 1.901 -5.461) 5.783 7.574 ( -0.946 -3.791 -2.319) 4.544 7.574 ( -0.946 3.791 -2.319) 4.544 7.751 ( 2.736 -2.954 3.531) 5.355 7.751 ( 2.736 2.954 3.531) 5.356 7.878 ( -0.122 -0.621 0.878) 1.082 7.878 ( -0.122 0.621 0.878) 1.082 8.720 ( -1.336 -0.724 9.434) 9.555 8.720 ( -1.336 0.725 9.434) 9.555 9.704 ( -1.620 -2.685 -2.018) 3.729 9.704 ( -1.620 2.685 -2.018) 3.729 9.888 ( 1.065 -1.530 -6.475) 6.738 9.888 ( 1.065 1.530 -6.475) 6.738 10.239 ( 2.390 -6.644 2.269) 7.416 10.239 ( 2.390 6.644 2.269) 7.416 10.773 ( -1.544 -0.680 0.210) 1.701 10.773 ( -1.544 0.680 0.210) 1.701 11.749 ( 1.749 -3.184 3.573) 5.096 11.749 ( 1.749 3.184 3.573) 5.096 11.910 ( -1.069 -5.996 -0.886) 6.154 11.910 ( -1.068 5.996 -0.886) 6.155 13.156 ( -0.733 -7.040 -3.741) 8.006 13.156 ( -0.733 7.040 -3.741) 8.006 13.565 ( 0.176 -4.418 4.776) 6.509 13.565 ( 0.176 4.418 4.776) 6.509 15.180 ( -0.904 -11.069 -0.804) 11.135 15.180 ( -0.904 11.069 -0.804) 11.135 15.824 ( -0.391 -9.986 5.376) 11.347 15.824 ( -0.391 9.986 5.376) 11.347 16.373 ( 1.095 -6.094 -12.143) 13.631 16.373 ( 1.095 6.094 -12.143) 13.631 16.852 ( -3.002 -5.222 -4.475) 7.504 16.852 ( -3.002 5.222 -4.475) 7.504 17.731 ( 3.489 -8.499 12.746) 15.712 17.731 ( 3.489 8.499 12.745) 15.712 19.191 ( -0.698 -24.629 -4.084) 24.975 19.191 ( -0.698 24.629 -4.084) 24.975 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 8.837 -3.722 1.538) 9.712 1.905 ( 8.837 3.723 1.538) 9.712 2.160 ( -0.522 -9.737 2.305) 10.020 2.160 ( -0.522 9.737 2.305) 10.020 2.538 ( 0.615 -15.203 -9.394) 17.882 2.538 ( 0.615 15.203 -9.394) 17.882 2.807 ( -8.583 -4.794 -6.385) 11.722 2.807 ( -8.583 4.794 -6.385) 11.722 3.091 ( -1.475 -4.006 2.959) 5.194 3.091 ( -1.475 4.006 2.959) 5.194 3.456 ( -0.665 -7.600 0.505) 7.646 3.456 ( -0.665 7.600 0.505) 7.646 4.144 ( -1.052 -3.635 6.388) 7.425 4.144 ( -1.052 3.635 6.388) 7.425 4.283 ( -0.857 -4.474 4.848) 6.652 4.283 ( -0.857 4.474 4.848) 6.653 4.545 ( -3.077 -2.706 3.957) 5.696 4.545 ( -3.077 2.706 3.957) 5.696 5.729 ( -4.166 -1.373 -6.507) 7.848 5.729 ( -4.166 1.373 -6.507) 7.848 6.430 ( 2.973 -4.572 -0.155) 5.456 6.430 ( 2.973 4.572 -0.155) 5.456 6.908 ( -10.451 -2.915 -3.658) 11.450 6.908 ( -10.451 2.915 -3.658) 11.450 7.524 ( -1.033 -1.156 -1.792) 2.369 7.524 ( -1.033 1.157 -1.792) 2.370 7.881 ( -0.588 -1.831 0.391) 1.963 7.881 ( -0.588 1.831 0.391) 1.963 7.943 ( 13.185 -2.890 2.544) 13.735 7.943 ( 13.185 2.891 2.544) 13.735 8.862 ( 2.823 -1.617 11.783) 12.224 8.862 ( 2.823 1.617 11.783) 12.224 9.646 ( -0.230 -0.821 -3.969) 4.059 9.646 ( -0.230 0.821 -3.969) 4.059 9.843 ( 3.120 -3.531 -7.223) 8.624 9.843 ( 3.120 3.531 -7.223) 8.624 10.333 ( 4.140 -4.615 1.252) 6.325 10.333 ( 4.140 4.615 1.252) 6.325 10.757 ( -0.239 -0.908 1.031) 1.394 10.757 ( -0.239 0.908 1.031) 1.394 11.713 ( -8.110 -5.566 1.925) 10.022 11.713 ( -8.110 5.566 1.925) 10.022 11.970 ( 6.163 -2.884 1.139) 6.899 11.970 ( 6.163 2.885 1.139) 6.899 13.115 ( 1.064 -3.878 -3.053) 5.048 13.115 ( 1.064 3.878 -3.053) 5.049 13.585 ( -4.188 -2.471 4.347) 6.522 13.585 ( -4.188 2.471 4.347) 6.522 15.216 ( 5.684 -8.348 -1.407) 10.197 15.216 ( 5.684 8.348 -1.407) 10.197 15.903 ( 2.281 -6.818 5.249) 8.902 15.903 ( 2.281 6.818 5.249) 8.902 16.258 ( 2.089 -6.144 -10.675) 12.493 16.258 ( 2.089 6.144 -10.675) 12.493 16.783 ( 0.684 -8.538 -4.033) 9.467 16.783 ( 0.684 8.538 -4.033) 9.467 17.918 ( 1.179 -8.680 12.324) 15.120 17.918 ( 1.179 8.680 12.324) 15.120 19.069 ( -7.241 -21.317 -5.504) 23.176 19.069 ( -7.241 21.317 -5.504) 23.177 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.136 -5.865 -1.941) 6.537 2.024 ( 2.136 5.866 -1.941) 6.537 2.136 ( 0.972 -8.191 -3.855) 9.105 2.136 ( 0.972 8.192 -3.854) 9.106 2.502 ( 3.547 -11.144 -5.385) 12.875 2.502 ( 3.547 11.144 -5.385) 12.875 2.591 ( -9.900 -0.584 -0.159) 9.918 2.591 ( -9.900 0.584 -0.158) 9.918 3.126 ( -0.566 -3.476 4.803) 5.956 3.126 ( -0.566 3.476 4.803) 5.956 3.423 ( -2.571 -2.304 -0.848) 3.555 3.423 ( -2.571 2.304 -0.848) 3.555 4.084 ( -5.978 -5.044 0.780) 7.860 4.084 ( -5.978 5.044 0.780) 7.861 4.397 ( 1.950 -6.739 2.564) 7.469 4.397 ( 1.950 6.739 2.564) 7.470 4.533 ( -3.305 -0.193 7.705) 8.387 4.533 ( -3.305 0.193 7.706) 8.387 5.564 ( -6.785 -1.755 -5.175) 8.712 5.564 ( -6.785 1.755 -5.175) 8.712 6.498 ( 3.733 -6.018 0.045) 7.082 6.498 ( 3.733 6.018 0.045) 7.083 6.695 ( -8.797 -5.233 -2.240) 10.478 6.695 ( -8.797 5.233 -2.240) 10.478 7.507 ( -0.208 -4.427 -0.165) 4.435 7.507 ( -0.208 4.427 -0.165) 4.435 7.861 ( -1.664 -3.071 -0.187) 3.498 7.861 ( -1.665 3.071 -0.187) 3.498 8.197 ( 13.153 -1.923 2.247) 13.482 8.197 ( 13.153 1.923 2.247) 13.482 9.037 ( 2.610 -1.661 9.915) 10.386 9.037 ( 2.610 1.661 9.915) 10.386 9.603 ( 2.233 -3.024 -6.859) 7.821 9.603 ( 2.233 3.025 -6.859) 7.822 9.858 ( 5.740 -3.581 -3.384) 7.564 9.858 ( 5.740 3.581 -3.384) 7.564 10.366 ( 1.557 -2.067 -3.060) 4.007 10.366 ( 1.557 2.067 -3.060) 4.007 10.805 ( 2.632 -0.918 3.451) 4.436 10.805 ( 2.632 0.919 3.451) 4.436 11.577 ( -9.101 -4.240 0.205) 10.043 11.577 ( -9.101 4.240 0.205) 10.043 12.079 ( 4.541 -4.257 1.206) 6.341 12.079 ( 4.542 4.258 1.207) 6.341 13.139 ( 4.128 -1.703 -0.339) 4.479 13.139 ( 4.128 1.703 -0.339) 4.479 13.527 ( -6.843 -1.848 2.329) 7.461 13.527 ( -6.843 1.849 2.329) 7.461 15.304 ( 6.320 -4.934 -1.862) 8.231 15.304 ( 6.320 4.934 -1.862) 8.231 15.968 ( 1.699 -8.554 -1.631) 8.873 15.968 ( 1.699 8.554 -1.631) 8.873 16.283 ( 8.975 -12.007 1.342) 15.051 16.283 ( 8.975 12.007 1.342) 15.051 16.784 ( 4.559 -9.938 -3.570) 11.502 16.784 ( 4.559 9.938 -3.570) 11.502 18.025 ( -1.812 -6.333 6.941) 9.570 18.025 ( -1.812 6.333 6.941) 9.570 18.842 ( -12.665 -14.874 -4.288) 20.001 18.842 ( -12.665 14.874 -4.288) 20.001 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -4.290 -1.825 -2.761) 5.419 1.944 ( -4.291 1.825 -2.761) 5.419 2.099 ( -1.010 -2.578 -6.487) 7.053 2.099 ( -1.010 2.578 -6.487) 7.053 2.461 ( 0.667 -7.279 -1.950) 7.565 2.461 ( 0.667 7.280 -1.950) 7.566 2.563 ( -1.524 -5.971 4.043) 7.371 2.563 ( -1.524 5.971 4.043) 7.371 3.142 ( -1.767 -4.827 0.822) 5.206 3.142 ( -1.767 4.827 0.822) 5.206 3.368 ( -3.091 -3.954 0.092) 5.020 3.368 ( -3.091 3.955 0.092) 5.020 4.027 ( -2.731 -7.559 2.750) 8.495 4.027 ( -2.731 7.559 2.750) 8.495 4.352 ( -4.668 -8.853 -1.756) 10.161 4.352 ( -4.668 8.854 -1.756) 10.162 4.616 ( 1.755 -1.199 4.349) 4.841 4.616 ( 1.755 1.199 4.349) 4.841 5.415 ( -5.832 -1.660 -1.943) 6.368 5.415 ( -5.832 1.661 -1.943) 6.368 6.440 ( -6.881 -8.662 -1.462) 11.159 6.440 ( -6.881 8.663 -1.462) 11.159 6.692 ( 6.021 -3.968 1.763) 7.423 6.692 ( 6.021 3.968 1.763) 7.423 7.495 ( -1.359 -5.380 -0.071) 5.549 7.495 ( -1.359 5.380 -0.071) 5.549 7.828 ( -1.456 -3.249 -0.795) 3.648 7.828 ( -1.456 3.249 -0.795) 3.648 8.408 ( 8.819 -1.344 1.307) 9.016 8.408 ( 8.818 1.344 1.307) 9.016 9.169 ( 3.516 -1.164 6.039) 7.084 9.169 ( 3.516 1.164 6.039) 7.084 9.570 ( 1.444 -3.195 -4.957) 6.071 9.570 ( 1.444 3.195 -4.957) 6.072 9.920 ( 4.696 -3.453 -2.964) 6.540 9.920 ( 4.696 3.453 -2.964) 6.540 10.368 ( 3.392 -0.431 -1.805) 3.867 10.368 ( 3.392 0.431 -1.805) 3.867 10.897 ( 3.237 -1.157 3.357) 4.805 10.897 ( 3.237 1.157 3.357) 4.805 11.424 ( -8.377 -1.700 -1.112) 8.620 11.424 ( -8.377 1.700 -1.112) 8.620 12.142 ( 2.265 -5.432 0.099) 5.886 12.142 ( 2.266 5.432 0.099) 5.886 13.228 ( 5.198 -3.508 0.560) 6.296 13.228 ( 5.198 3.508 0.559) 6.296 13.426 ( -6.656 -1.205 1.101) 6.854 13.426 ( -6.656 1.206 1.101) 6.854 15.381 ( 4.591 -4.432 -0.218) 6.385 15.381 ( 4.591 4.432 -0.218) 6.385 15.950 ( 0.071 -8.963 -2.627) 9.340 15.950 ( 0.071 8.963 -2.627) 9.340 16.544 ( 14.891 -14.889 6.465) 22.028 16.544 ( 14.891 14.889 6.465) 22.028 16.854 ( 7.939 -7.853 -2.671) 11.482 16.854 ( 7.939 7.853 -2.671) 11.482 17.994 ( -4.969 -4.989 -3.066) 7.680 17.994 ( -4.969 4.990 -3.066) 7.680 18.579 ( -15.702 -3.072 1.158) 16.041 18.579 ( -15.702 3.072 1.158) 16.041 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -5.507 -2.529 0.081) 6.061 1.859 ( -5.507 2.529 0.081) 6.061 2.014 ( 1.487 -7.265 -4.124) 8.485 2.014 ( 1.487 7.265 -4.124) 8.486 2.463 ( -0.738 -7.701 -0.200) 7.739 2.463 ( -0.737 7.702 -0.200) 7.739 2.568 ( -2.092 -5.732 3.058) 6.825 2.568 ( -2.092 5.732 3.058) 6.825 3.106 ( -1.323 -4.827 -1.111) 5.127 3.106 ( -1.323 4.827 -1.111) 5.127 3.333 ( -1.511 -3.868 0.802) 4.229 3.333 ( -1.511 3.868 0.802) 4.230 4.041 ( -0.141 -6.702 2.517) 7.160 4.041 ( -0.141 6.702 2.517) 7.161 4.251 ( -4.623 -7.028 -1.557) 8.555 4.251 ( -4.623 7.028 -1.557) 8.555 4.652 ( 1.493 -1.409 -2.780) 3.456 4.652 ( 1.493 1.409 -2.780) 3.456 5.328 ( -3.780 -1.402 0.441) 4.055 5.328 ( -3.780 1.402 0.441) 4.056 6.336 ( -3.979 -9.617 -0.594) 10.424 6.336 ( -3.979 9.617 -0.594) 10.425 6.824 ( 5.420 -3.723 3.108) 7.273 6.824 ( 5.420 3.723 3.108) 7.273 7.462 ( -2.129 -5.483 0.064) 5.882 7.462 ( -2.129 5.483 0.064) 5.882 7.797 ( -0.725 -2.963 -1.429) 3.368 7.797 ( -0.725 2.963 -1.429) 3.368 8.497 ( 3.527 -3.881 -3.744) 6.444 8.497 ( 3.527 3.882 -3.744) 6.444 9.319 ( 6.049 -5.646 5.668) 10.029 9.319 ( 6.049 5.646 5.668) 10.029 9.522 ( -1.463 -2.373 -3.159) 4.213 9.522 ( -1.463 2.374 -3.159) 4.214 9.949 ( 2.867 -6.770 -1.480) 7.500 9.949 ( 2.867 6.771 -1.480) 7.500 10.445 ( 4.469 -1.397 2.532) 5.323 10.445 ( 4.469 1.397 2.532) 5.323 10.975 ( 2.619 -2.011 1.166) 3.502 10.975 ( 2.619 2.012 1.166) 3.502 11.278 ( -6.569 -1.729 -2.162) 7.128 11.278 ( -6.569 1.729 -2.163) 7.129 12.166 ( 0.978 -5.281 -0.233) 5.376 12.166 ( 0.978 5.281 -0.233) 5.376 13.252 ( -0.715 -4.698 -4.196) 6.340 13.252 ( -0.715 4.698 -4.196) 6.340 13.393 ( -0.128 -5.803 4.192) 7.160 13.393 ( -0.128 5.804 4.192) 7.160 15.457 ( 2.605 -5.216 2.775) 6.457 15.457 ( 2.605 5.216 2.775) 6.457 15.929 ( -0.380 -8.164 0.006) 8.173 15.929 ( -0.380 8.164 0.006) 8.173 16.835 ( 11.362 -14.292 0.145) 18.259 16.835 ( 11.362 14.292 0.145) 18.259 17.021 ( 13.540 -11.408 4.116) 18.177 17.021 ( 13.540 11.408 4.116) 18.177 17.794 ( -7.720 -14.079 -11.768) 19.908 17.794 ( -7.720 14.079 -11.768) 19.908 18.365 ( -14.801 -11.366 5.892) 19.570 18.365 ( -14.801 11.366 5.892) 19.570 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -3.413 -2.779 -3.202) 5.443 1.752 ( -3.413 2.779 -3.202) 5.443 2.083 ( 4.624 -6.764 4.024) 9.128 2.083 ( 4.624 6.764 4.024) 9.128 2.444 ( -0.992 -6.080 1.977) 6.470 2.444 ( -0.992 6.080 1.977) 6.470 2.569 ( -1.524 -4.836 1.992) 5.447 2.569 ( -1.524 4.836 1.992) 5.448 3.091 ( 0.363 -4.485 -0.395) 4.517 3.091 ( 0.363 4.486 -0.394) 4.518 3.327 ( -0.924 -1.627 1.384) 2.328 3.327 ( -0.924 1.628 1.384) 2.328 4.046 ( -1.377 -4.222 -0.578) 4.478 4.046 ( -1.377 4.222 -0.579) 4.478 4.186 ( -1.003 -3.732 -0.355) 3.881 4.186 ( -1.003 3.732 -0.355) 3.881 4.606 ( 0.672 -2.182 -8.649) 8.945 4.606 ( 0.672 2.182 -8.649) 8.945 5.294 ( -1.499 -1.575 1.314) 2.541 5.294 ( -1.499 1.575 1.314) 2.541 6.291 ( -0.968 -8.957 -0.027) 9.009 6.291 ( -0.968 8.957 -0.027) 9.010 6.915 ( 0.813 -2.470 2.874) 3.875 6.915 ( 0.813 2.470 2.874) 3.876 7.445 ( -0.748 -5.410 1.897) 5.782 7.445 ( -0.748 5.410 1.897) 5.782 7.773 ( 0.271 -2.393 -2.012) 3.138 7.773 ( 0.271 2.393 -2.012) 3.138 8.462 ( 1.453 -5.402 -8.839) 10.461 8.462 ( 1.453 5.402 -8.839) 10.461 9.349 ( -2.762 -5.613 -5.988) 8.660 9.349 ( -2.762 5.613 -5.988) 8.660 9.582 ( 4.334 -0.701 9.821) 10.757 9.582 ( 4.334 0.701 9.821) 10.757 10.003 ( 2.373 -7.851 3.237) 8.817 10.003 ( 2.373 7.851 3.237) 8.818 10.537 ( 0.806 -1.321 4.821) 5.063 10.537 ( 0.806 1.321 4.821) 5.063 10.981 ( -0.701 -1.576 -4.415) 4.740 10.981 ( -0.701 1.576 -4.415) 4.740 11.189 ( -0.990 -2.602 -0.613) 2.850 11.189 ( -0.990 2.602 -0.613) 2.850 12.175 ( 0.389 -4.599 0.041) 4.615 12.175 ( 0.389 4.599 0.041) 4.616 13.185 ( -0.006 -4.108 -5.104) 6.552 13.185 ( -0.006 4.108 -5.104) 6.552 13.439 ( -0.488 -5.615 3.360) 6.562 13.439 ( -0.488 5.615 3.360) 6.562 15.521 ( -0.313 -3.155 4.917) 5.851 15.521 ( -0.313 3.155 4.917) 5.851 15.951 ( 0.933 -6.279 3.595) 7.295 15.951 ( 0.933 6.279 3.595) 7.295 16.915 ( 2.338 -14.831 -4.761) 15.751 16.915 ( 2.338 14.832 -4.761) 15.751 17.276 ( 3.047 -10.336 -0.165) 10.777 17.276 ( 3.047 10.337 -0.165) 10.778 17.607 ( 6.759 -18.404 -4.912) 20.212 17.607 ( 6.759 18.404 -4.912) 20.212 18.202 ( -11.457 -16.009 3.852) 20.060 18.202 ( -11.457 16.009 3.852) 20.060 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 4.845 -3.843 -3.274) 6.997 1.723 ( 4.845 3.843 -3.274) 6.998 2.191 ( 1.275 -4.725 5.865) 7.639 2.191 ( 1.275 4.725 5.865) 7.639 2.499 ( -0.033 -6.188 4.744) 7.797 2.499 ( -0.033 6.188 4.744) 7.797 2.572 ( 1.502 -8.010 1.778) 8.341 2.572 ( 1.502 8.010 1.778) 8.342 3.085 ( -0.124 -4.163 -2.474) 4.844 3.085 ( -0.124 4.163 -2.474) 4.844 3.340 ( -0.700 -1.813 4.366) 4.779 3.340 ( -0.700 1.813 4.366) 4.779 3.991 ( -2.391 -4.250 -1.900) 5.234 3.991 ( -2.391 4.250 -1.900) 5.234 4.210 ( 3.523 -7.832 -0.203) 8.591 4.210 ( 3.523 7.832 -0.203) 8.591 4.484 ( -0.217 -2.402 -13.217) 13.435 4.484 ( -0.217 2.402 -13.217) 13.435 5.308 ( 1.469 -1.017 1.521) 2.346 5.308 ( 1.469 1.018 1.521) 2.346 6.308 ( 1.993 -6.876 1.523) 7.319 6.308 ( 1.993 6.876 1.523) 7.319 6.907 ( -4.469 -4.267 1.653) 6.396 6.907 ( -4.469 4.267 1.653) 6.396 7.479 ( 0.566 -5.790 3.662) 6.875 7.479 ( 0.566 5.791 3.662) 6.875 7.764 ( 1.515 -1.220 -2.025) 2.808 7.764 ( 1.515 1.220 -2.025) 2.808 8.366 ( 1.098 -5.367 -11.639) 12.863 8.366 ( 1.098 5.367 -11.639) 12.863 9.216 ( -4.339 -1.943 -5.482) 7.257 9.216 ( -4.339 1.943 -5.482) 7.257 9.754 ( 0.985 -3.510 10.559) 11.171 9.754 ( 0.985 3.511 10.559) 11.171 10.089 ( 1.041 -5.759 6.087) 8.444 10.089 ( 1.041 5.760 6.087) 8.444 10.565 ( -3.727 -1.663 4.744) 6.258 10.565 ( -3.727 1.663 4.744) 6.258 10.880 ( -2.368 -0.634 -7.010) 7.426 10.880 ( -2.368 0.634 -7.010) 7.426 11.218 ( 4.194 -0.189 -0.632) 4.246 11.218 ( 4.194 0.189 -0.632) 4.246 12.180 ( -0.267 -3.465 0.365) 3.495 12.180 ( -0.267 3.466 0.365) 3.495 13.141 ( 2.025 -3.437 -6.005) 7.210 13.141 ( 2.025 3.437 -6.005) 7.209 13.451 ( -2.181 -2.696 3.219) 4.732 13.451 ( -2.181 2.696 3.219) 4.732 15.557 ( -2.423 -0.964 5.991) 6.534 15.557 ( -2.423 0.964 5.991) 6.534 16.040 ( 1.554 -7.198 7.424) 10.457 16.040 ( 1.554 7.198 7.424) 10.457 16.788 ( -8.749 -18.613 -8.213) 22.146 16.788 ( -8.749 18.613 -8.213) 22.146 17.144 ( -5.313 -7.023 -5.800) 10.545 17.144 ( -5.313 7.023 -5.800) 10.545 17.872 ( 12.732 -19.936 1.425) 23.698 17.872 ( 12.732 19.936 1.425) 23.698 18.101 ( 0.375 -17.169 2.444) 17.346 18.101 ( 0.375 17.169 2.444) 17.346 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 10.874 -7.077 -1.647) 13.078 1.835 ( 10.874 7.077 -1.647) 13.078 2.290 ( 3.911 -5.611 5.046) 8.500 2.290 ( 3.911 5.612 5.046) 8.500 2.456 ( -6.648 -7.312 0.624) 9.902 2.456 ( -6.648 7.312 0.624) 9.902 2.671 ( 2.426 -9.388 4.533) 10.704 2.671 ( 2.426 9.388 4.533) 10.704 3.028 ( -1.034 -1.031 -4.625) 4.850 3.028 ( -1.034 1.031 -4.625) 4.850 3.405 ( -0.057 -4.628 7.189) 8.550 3.405 ( -0.057 4.628 7.189) 8.550 3.958 ( 0.914 -2.595 -0.865) 2.884 3.958 ( 0.914 2.595 -0.865) 2.884 4.272 ( 4.496 -11.903 -5.692) 13.939 4.272 ( 4.496 11.903 -5.692) 13.939 4.323 ( -0.198 -3.537 -9.278) 9.931 4.323 ( -0.198 3.537 -9.278) 9.931 5.384 ( 5.665 -1.882 1.805) 6.236 5.384 ( 5.665 1.883 1.805) 6.237 6.384 ( 4.385 -3.624 1.536) 5.893 6.384 ( 4.385 3.624 1.536) 5.893 6.826 ( -6.682 -5.412 1.719) 8.769 6.826 ( -6.682 5.412 1.719) 8.769 7.528 ( 0.056 -5.007 3.949) 6.377 7.528 ( 0.056 5.007 3.949) 6.377 7.783 ( 2.491 -0.736 -0.670) 2.682 7.783 ( 2.491 0.736 -0.670) 2.682 8.246 ( 0.527 -4.250 -12.001) 12.742 8.246 ( 0.527 4.250 -12.001) 12.742 9.088 ( -5.344 -1.633 -3.017) 6.350 9.088 ( -5.344 1.633 -3.017) 6.350 9.820 ( -3.986 -3.242 5.029) 7.190 9.820 ( -3.986 3.243 5.029) 7.190 10.158 ( -3.085 -4.057 8.465) 9.881 10.158 ( -3.085 4.057 8.465) 9.881 10.552 ( -2.969 -1.410 4.703) 5.738 10.552 ( -2.969 1.411 4.703) 5.738 10.757 ( -2.594 -2.490 -7.577) 8.387 10.757 ( -2.594 2.490 -7.577) 8.387 11.300 ( 6.649 -2.562 -1.208) 7.227 11.300 ( 6.649 2.562 -1.208) 7.227 12.166 ( -1.868 -1.513 -0.029) 2.404 12.166 ( -1.868 1.513 -0.029) 2.404 13.116 ( 2.810 -1.131 -5.278) 6.085 13.116 ( 2.810 1.131 -5.278) 6.085 13.447 ( -2.174 -3.160 2.791) 4.743 13.447 ( -2.174 3.160 2.791) 4.744 15.585 ( -3.256 -0.199 7.506) 8.184 15.585 ( -3.256 0.199 7.506) 8.184 16.117 ( -3.695 -9.315 4.669) 11.055 16.117 ( -3.695 9.315 4.669) 11.055 16.539 ( -8.369 -14.678 -3.769) 17.311 16.539 ( -8.369 14.678 -3.769) 17.312 17.009 ( -5.148 -8.861 -3.312) 10.769 17.010 ( -5.148 8.861 -3.312) 10.769 17.851 ( -2.660 -12.504 -7.542) 14.843 17.851 ( -2.660 12.504 -7.542) 14.843 18.386 ( 18.717 -24.031 5.948) 31.035 18.386 ( 18.717 24.031 5.948) 31.035 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 7.227 -9.745 -0.841) 12.162 1.991 ( 7.227 9.745 -0.841) 12.162 2.267 ( -8.879 -7.908 -4.325) 12.652 2.267 ( -8.879 7.908 -4.325) 12.652 2.488 ( 9.484 -7.771 4.384) 13.021 2.488 ( 9.484 7.771 4.384) 13.021 2.724 ( 0.175 -11.360 2.085) 11.551 2.724 ( 0.175 11.360 2.085) 11.551 2.997 ( 1.118 -2.524 0.609) 2.826 2.997 ( 1.118 2.524 0.609) 2.827 3.470 ( -1.295 -6.896 5.729) 9.058 3.470 ( -1.295 6.896 5.729) 9.058 3.955 ( 0.719 -4.103 -7.979) 9.001 3.955 ( 0.719 4.103 -7.979) 9.001 4.181 ( 1.889 -7.115 -3.098) 7.987 4.181 ( 1.889 7.116 -3.098) 7.987 4.374 ( 4.910 -9.315 -0.635) 10.549 4.374 ( 4.910 9.315 -0.635) 10.549 5.534 ( 9.544 -2.923 1.576) 10.105 5.534 ( 9.544 2.923 1.576) 10.105 6.454 ( 3.241 -4.224 -2.030) 5.698 6.454 ( 3.241 4.224 -2.029) 5.698 6.764 ( -2.965 -3.658 3.830) 6.070 6.764 ( -2.965 3.658 3.830) 6.070 7.573 ( -0.017 -2.290 4.420) 4.978 7.573 ( -0.017 2.290 4.420) 4.978 7.823 ( 1.632 -1.382 0.786) 2.278 7.823 ( 1.632 1.382 0.786) 2.278 8.112 ( -1.225 -2.235 -10.884) 11.178 8.112 ( -1.225 2.235 -10.884) 11.178 8.967 ( -7.416 -2.641 0.077) 7.872 8.967 ( -7.416 2.641 0.077) 7.872 9.748 ( -5.906 -0.920 -1.105) 6.079 9.748 ( -5.906 0.920 -1.105) 6.079 10.164 ( -6.365 -5.989 6.826) 11.089 10.164 ( -6.365 5.989 6.826) 11.089 10.541 ( -7.163 -2.559 2.057) 7.880 10.541 ( -7.163 2.559 2.057) 7.880 10.667 ( 3.005 -1.941 -3.341) 4.895 10.667 ( 3.005 1.941 -3.341) 4.895 11.407 ( 7.821 -3.812 -1.537) 8.835 11.407 ( 7.821 3.812 -1.537) 8.835 12.115 ( -3.776 -3.026 -0.541) 4.869 12.115 ( -3.776 3.026 -0.541) 4.869 13.126 ( 3.426 -2.438 -2.060) 4.682 13.126 ( 3.426 2.438 -2.060) 4.682 13.442 ( -1.031 -7.189 1.158) 7.354 13.442 ( -1.031 7.189 1.158) 7.355 15.601 ( -6.985 -0.449 8.679) 11.149 15.601 ( -6.985 0.449 8.679) 11.149 15.961 ( -9.697 -15.217 -6.297) 19.112 15.961 ( -9.697 15.217 -6.297) 19.112 16.507 ( -0.943 -5.144 6.173) 8.090 16.507 ( -0.943 5.144 6.173) 8.090 16.913 ( -3.624 -12.343 0.952) 12.899 16.913 ( -3.624 12.343 0.952) 12.899 17.706 ( -1.845 -8.311 -10.907) 13.836 17.706 ( -1.845 8.311 -10.907) 13.836 18.746 ( 16.808 -25.616 4.170) 30.920 18.746 ( 16.808 25.616 4.170) 30.920 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -7.892 -7.884 -4.696) 12.104 1.959 ( -7.892 7.885 -4.696) 12.104 2.124 ( -1.829 -10.398 -1.246) 10.631 2.124 ( -1.829 10.399 -1.246) 10.632 2.684 ( 8.780 -7.706 -3.575) 12.217 2.684 ( 8.780 7.706 -3.575) 12.217 2.792 ( 5.871 -13.961 5.945) 16.270 2.792 ( 5.871 13.961 5.945) 16.271 3.072 ( 3.945 -3.746 3.814) 6.644 3.072 ( 3.945 3.746 3.814) 6.644 3.473 ( -3.065 -7.859 -0.370) 8.444 3.473 ( -3.065 7.859 -0.370) 8.444 3.835 ( -1.796 -6.282 -4.922) 8.180 3.835 ( -1.796 6.282 -4.922) 8.180 4.276 ( 5.009 -7.415 5.065) 10.282 4.276 ( 5.009 7.415 5.065) 10.282 4.426 ( 2.662 -9.065 -1.874) 9.632 4.426 ( 2.662 9.065 -1.874) 9.632 5.709 ( 9.624 -2.675 -0.408) 9.997 5.709 ( 9.624 2.675 -0.408) 9.997 6.445 ( -0.557 -8.541 -1.797) 8.746 6.445 ( -0.557 8.541 -1.797) 8.746 6.832 ( 6.323 -0.650 2.489) 6.826 6.832 ( 6.323 0.650 2.489) 6.826 7.628 ( 0.585 -1.121 4.072) 4.264 7.628 ( 0.585 1.121 4.072) 4.264 7.818 ( -2.668 -3.260 -2.200) 4.752 7.818 ( -2.668 3.260 -2.200) 4.752 7.977 ( -2.876 -2.007 -5.156) 6.236 7.977 ( -2.876 2.007 -5.156) 6.236 8.836 ( -10.278 -3.416 3.012) 11.242 8.836 ( -10.278 3.416 3.012) 11.242 9.662 ( -0.839 -3.187 -1.689) 3.704 9.662 ( -0.839 3.187 -1.689) 3.704 10.102 ( -6.273 -4.127 0.942) 7.568 10.102 ( -6.273 4.127 0.942) 7.568 10.387 ( -8.260 -3.817 -2.711) 9.495 10.387 ( -8.260 3.817 -2.710) 9.495 10.733 ( 2.409 -0.895 2.879) 3.859 10.733 ( 2.409 0.896 2.879) 3.860 11.522 ( 7.984 -3.708 -1.450) 8.922 11.522 ( 7.984 3.708 -1.451) 8.922 12.040 ( -4.510 -5.376 0.051) 7.018 12.040 ( -4.510 5.376 0.051) 7.018 13.175 ( 2.860 -4.773 0.316) 5.573 13.175 ( 2.860 4.773 0.316) 5.573 13.446 ( 0.884 -7.817 0.240) 7.870 13.446 ( 0.884 7.817 0.240) 7.871 15.484 ( -14.326 -6.480 2.799) 15.971 15.484 ( -14.326 6.480 2.799) 15.971 15.809 ( -2.707 -14.828 -0.866) 15.098 15.809 ( -2.707 14.828 -0.866) 15.098 16.525 ( -0.484 -1.603 -1.849) 2.495 16.525 ( -0.484 1.603 -1.849) 2.495 16.933 ( -1.567 -11.967 8.187) 14.584 16.933 ( -1.567 11.967 8.187) 14.584 17.567 ( -0.172 -5.301 -8.916) 10.375 17.567 ( -0.172 5.301 -8.916) 10.375 19.023 ( 12.198 -26.360 1.532) 29.086 19.023 ( 12.198 26.360 1.532) 29.086 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -4.937 -11.796 -2.635) 13.056 1.787 ( -4.937 11.796 -2.634) 13.056 2.103 ( -1.212 -15.883 1.425) 15.993 2.103 ( -1.212 15.883 1.425) 15.993 2.717 ( 2.676 -10.991 -5.402) 12.536 2.717 ( 2.676 10.991 -5.402) 12.536 2.955 ( 6.348 -7.182 -0.664) 9.608 2.955 ( 6.348 7.182 -0.664) 9.608 3.183 ( 3.541 -5.908 1.127) 6.980 3.183 ( 3.541 5.908 1.127) 6.980 3.369 ( -2.992 -9.859 -2.975) 10.724 3.369 ( -2.992 9.859 -2.975) 10.724 3.851 ( -0.160 -5.886 9.055) 10.801 3.851 ( -0.160 5.887 9.055) 10.801 4.405 ( 1.452 -4.865 0.616) 5.115 4.405 ( 1.452 4.865 0.617) 5.114 4.423 ( 1.852 -5.841 1.538) 6.318 4.423 ( 1.852 5.842 1.537) 6.318 5.819 ( 5.751 -1.898 -3.353) 6.923 5.819 ( 5.751 1.899 -3.353) 6.923 6.421 ( -1.231 -8.769 0.332) 8.861 6.421 ( -1.232 8.769 0.332) 8.861 6.996 ( 11.007 -1.105 -1.707) 11.193 6.996 ( 11.007 1.105 -1.707) 11.193 7.635 ( -1.440 -3.101 -4.703) 5.814 7.635 ( -1.440 3.101 -4.702) 5.814 7.737 ( -4.332 -3.586 4.509) 7.208 7.737 ( -4.332 3.586 4.509) 7.208 7.902 ( -3.104 -2.768 -0.638) 4.208 7.902 ( -3.104 2.768 -0.638) 4.208 8.717 ( -8.269 -2.408 5.536) 10.238 8.717 ( -8.269 2.409 5.536) 10.238 9.690 ( 3.524 -3.597 0.331) 5.046 9.690 ( 3.524 3.597 0.331) 5.046 9.983 ( -4.651 -2.005 -4.754) 6.947 9.983 ( -4.651 2.005 -4.754) 6.947 10.252 ( -4.727 -5.389 -0.669) 7.199 10.252 ( -4.727 5.389 -0.669) 7.199 10.780 ( -0.205 -1.071 1.843) 2.141 10.780 ( -0.205 1.071 1.843) 2.141 11.641 ( 7.018 -2.971 0.307) 7.627 11.641 ( 7.018 2.971 0.307) 7.627 11.969 ( -4.370 -6.624 0.432) 7.947 11.969 ( -4.370 6.624 0.432) 7.947 13.197 ( 0.151 -8.240 -1.543) 8.385 13.197 ( 0.151 8.240 -1.543) 8.385 13.492 ( 2.654 -6.531 2.625) 7.522 13.492 ( 2.654 6.531 2.625) 7.522 15.279 ( -9.781 -10.411 -0.490) 14.294 15.279 ( -9.781 10.411 -0.489) 14.294 15.794 ( -1.963 -12.463 3.763) 13.166 15.794 ( -1.963 12.463 3.763) 13.166 16.469 ( 1.067 -5.208 -8.316) 9.870 16.469 ( 1.067 5.208 -8.316) 9.870 16.949 ( -4.019 -6.847 0.626) 7.964 16.949 ( -4.019 6.847 0.626) 7.964 17.561 ( 3.326 -6.454 4.368) 8.473 17.561 ( 3.326 6.454 4.368) 8.473 19.178 ( 6.084 -26.137 -1.436) 26.874 19.178 ( 6.084 26.137 -1.436) 26.875 ======================= Grid point 198 (86/170) ======================= 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -21.520 0.000 21.253) 30.246 1.123 ( -4.206 0.000 25.540) 25.884 1.652 ( 6.696 0.000 22.854) 23.814 1.815 ( 16.854 0.000 -18.628) 25.121 2.258 ( 7.810 0.000 0.698) 7.841 2.289 ( 0.598 0.000 -16.902) 16.912 2.910 ( -0.302 0.000 7.120) 7.127 2.990 ( -4.689 0.000 4.994) 6.850 3.110 ( 2.872 0.000 -2.278) 3.666 3.363 ( -3.890 0.000 -9.103) 9.900 3.651 ( 0.610 0.000 6.493) 6.522 3.917 ( -0.419 0.000 -2.589) 2.623 4.009 ( -0.617 0.000 -0.973) 1.152 4.129 ( -0.932 0.000 -2.937) 3.081 4.277 ( -5.243 0.000 5.021) 7.260 4.308 ( 0.040 0.000 1.808) 1.808 4.548 ( -2.253 0.000 8.713) 8.999 4.875 ( 1.668 0.000 -5.289) 5.546 6.083 ( -0.212 0.000 -1.261) 1.279 6.347 ( 1.912 0.000 -12.517) 12.662 6.595 ( -7.424 0.000 -0.049) 7.424 6.782 ( 16.239 0.000 -7.936) 18.075 7.070 ( -1.221 0.000 -4.125) 4.302 7.086 ( -8.775 0.000 -3.439) 9.425 7.362 ( 3.696 0.000 0.462) 3.724 7.630 ( 1.304 0.000 -10.359) 10.441 7.959 ( 2.395 0.000 3.246) 4.034 8.070 ( -1.833 0.000 -2.062) 2.759 8.275 ( -13.069 0.000 8.850) 15.784 8.435 ( 7.157 0.000 0.922) 7.216 8.961 ( 2.445 0.000 17.508) 17.678 9.070 ( 6.815 0.000 5.917) 9.025 9.293 ( 2.163 0.000 7.919) 8.209 9.339 ( 10.131 0.000 14.283) 17.511 9.535 ( -13.493 0.000 -3.476) 13.934 9.892 ( 1.191 0.000 -11.883) 11.942 9.986 ( -2.569 0.000 -5.201) 5.801 10.190 ( -4.578 0.000 -6.686) 8.103 10.474 ( 8.633 0.000 6.343) 10.712 10.619 ( -5.968 0.000 -0.345) 5.978 11.694 ( 2.439 0.000 3.634) 4.377 12.020 ( 0.530 0.000 12.349) 12.361 12.077 ( -5.453 0.000 -10.381) 11.727 12.340 ( 0.800 0.000 6.402) 6.452 12.450 ( 2.111 0.000 -6.393) 6.733 12.651 ( 1.102 0.000 -8.511) 8.582 13.584 ( -7.130 0.000 5.232) 8.843 13.863 ( 8.820 0.000 -7.716) 11.718 14.720 ( -11.943 0.000 15.386) 19.477 15.490 ( 6.403 0.000 -18.281) 19.370 15.725 ( 3.620 0.000 10.826) 11.415 16.390 ( -2.911 0.000 -17.256) 17.500 16.454 ( 3.473 0.000 4.886) 5.995 16.624 ( -1.229 0.000 -3.195) 3.424 16.692 ( -3.664 0.000 5.272) 6.420 16.890 ( -1.101 0.000 2.434) 2.671 17.044 ( 3.201 0.000 -6.267) 7.038 17.066 ( 0.515 0.000 -3.606) 3.643 19.111 ( 0.622 0.000 29.091) 29.097 20.171 ( -0.491 0.000 -19.115) 19.121 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.646 0.000 17.084) 17.705 1.396 ( 3.418 0.000 23.033) 23.285 1.891 ( 9.379 0.000 -6.798) 11.584 1.914 ( 17.290 0.000 -15.839) 23.448 2.147 ( -4.178 0.000 -5.941) 7.263 2.307 ( 1.182 0.000 -6.402) 6.510 2.937 ( -4.708 0.000 4.411) 6.452 3.034 ( -0.683 0.000 12.877) 12.895 3.079 ( -2.532 0.000 -2.146) 3.320 3.208 ( -2.473 0.000 -7.787) 8.170 3.722 ( -2.021 0.000 8.121) 8.368 3.862 ( -1.930 0.000 -6.268) 6.559 3.971 ( -2.527 0.000 1.807) 3.107 4.013 ( -4.144 0.000 -4.847) 6.377 4.256 ( -3.330 0.000 4.686) 5.749 4.381 ( 2.240 0.000 4.393) 4.931 4.630 ( 0.428 0.000 8.421) 8.432 4.856 ( 3.658 0.000 -6.071) 7.088 6.003 ( -10.043 0.000 2.830) 10.434 6.210 ( -4.636 0.000 -9.498) 10.570 6.379 ( -11.282 0.000 -3.734) 11.884 6.715 ( -7.202 0.000 -6.286) 9.560 7.001 ( -2.598 0.000 1.867) 3.199 7.254 ( 19.384 0.000 0.345) 19.387 7.475 ( 5.831 0.000 1.305) 5.975 7.538 ( 2.040 0.000 -8.499) 8.740 8.021 ( 0.037 0.000 -1.875) 1.876 8.031 ( -2.313 0.000 1.288) 2.647 8.231 ( 0.299 0.000 7.341) 7.347 8.574 ( 6.789 0.000 0.897) 6.848 9.074 ( -7.568 0.000 -1.055) 7.641 9.182 ( 0.746 0.000 0.938) 1.198 9.348 ( -2.228 0.000 4.675) 5.179 9.441 ( 1.093 0.000 12.494) 12.542 9.502 ( 0.973 0.000 -4.023) 4.139 9.848 ( 6.579 0.000 -7.636) 10.080 9.982 ( 1.699 0.000 6.526) 6.744 10.064 ( -0.067 0.000 -4.800) 4.800 10.512 ( -4.008 0.000 -2.803) 4.891 10.666 ( 6.838 0.000 3.964) 7.904 11.822 ( 4.175 0.000 9.226) 10.126 11.854 ( -6.526 0.000 -10.404) 12.281 12.171 ( 1.956 0.000 11.272) 11.440 12.388 ( -2.739 0.000 4.856) 5.575 12.405 ( 3.405 0.000 -9.607) 10.193 12.533 ( -4.233 0.000 -7.734) 8.817 13.512 ( -7.780 0.000 4.318) 8.898 13.883 ( 3.309 0.000 -6.320) 7.134 14.805 ( -0.559 0.000 17.534) 17.543 15.424 ( 8.209 0.000 -15.059) 17.151 15.887 ( -0.145 0.000 11.375) 11.376 16.116 ( -4.321 0.000 -17.463) 17.989 16.552 ( -1.752 0.000 -4.381) 4.718 16.579 ( 2.994 0.000 4.467) 5.378 16.718 ( -3.075 0.000 8.275) 8.828 16.891 ( -0.121 0.000 -0.828) 0.837 17.076 ( 8.191 0.000 -0.980) 8.249 17.091 ( 7.252 0.000 -6.038) 9.437 19.402 ( -4.101 0.000 27.176) 27.484 19.879 ( -5.939 0.000 -22.629) 23.396 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.893 0.000 10.129) 10.534 1.706 ( 7.256 0.000 11.347) 13.469 1.863 ( 2.118 0.000 -18.975) 19.092 1.962 ( -3.680 0.000 -5.317) 6.467 2.014 ( 10.957 0.000 -6.473) 12.726 2.227 ( 1.056 0.000 -6.380) 6.466 2.877 ( -7.111 0.000 3.478) 7.916 3.023 ( -3.377 0.000 -1.382) 3.649 3.060 ( -5.603 0.000 -7.414) 9.293 3.187 ( 0.206 0.000 11.702) 11.704 3.670 ( -8.519 0.000 -10.138) 13.242 3.763 ( -2.788 0.000 7.599) 8.094 3.960 ( 1.235 0.000 -1.434) 1.893 4.030 ( 2.990 0.000 7.684) 8.245 4.274 ( -0.233 0.000 3.530) 3.538 4.441 ( 1.079 0.000 0.686) 1.278 4.745 ( 2.402 0.000 7.414) 7.794 4.856 ( 5.059 0.000 -7.095) 8.714 5.817 ( -17.362 0.000 6.864) 18.669 5.954 ( -14.030 0.000 -7.991) 16.146 6.236 ( -1.907 0.000 -1.993) 2.758 6.570 ( -3.144 0.000 -3.062) 4.389 6.992 ( -3.516 0.000 4.793) 5.945 7.422 ( 2.390 0.000 -6.064) 6.518 7.505 ( -2.592 0.000 -1.791) 3.151 7.672 ( 16.349 0.000 5.831) 17.358 7.947 ( -5.970 0.000 0.063) 5.971 8.079 ( 6.940 0.000 2.464) 7.364 8.380 ( 8.159 0.000 1.497) 8.295 8.642 ( 0.008 0.000 0.505) 0.506 8.813 ( -14.239 0.000 -5.484) 15.258 9.119 ( -3.244 0.000 -6.630) 7.382 9.392 ( 5.545 0.000 -4.960) 7.439 9.402 ( -1.991 0.000 -7.356) 7.620 9.644 ( 3.570 0.000 14.402) 14.838 9.900 ( 4.692 0.000 -3.635) 5.936 10.053 ( -1.631 0.000 4.076) 4.390 10.145 ( 10.635 0.000 2.711) 10.975 10.475 ( 3.414 0.000 -1.658) 3.795 10.787 ( 4.274 0.000 1.402) 4.498 11.635 ( -7.662 0.000 -7.327) 10.601 11.983 ( 1.074 0.000 8.582) 8.649 12.302 ( -4.742 0.000 -11.171) 12.136 12.351 ( -4.750 0.000 9.014) 10.189 12.380 ( 5.952 0.000 6.220) 8.609 12.403 ( 2.138 0.000 -6.678) 7.012 13.427 ( -7.554 0.000 3.879) 8.491 13.850 ( 0.211 0.000 -4.358) 4.363 15.056 ( 6.192 0.000 16.883) 17.982 15.416 ( 6.259 0.000 -8.748) 10.757 15.904 ( 1.709 0.000 -14.464) 14.565 15.977 ( -4.074 0.000 11.624) 12.317 16.472 ( -1.961 0.000 -4.091) 4.537 16.589 ( -4.801 0.000 0.342) 4.813 16.755 ( -3.628 0.000 8.736) 9.460 16.867 ( 0.571 0.000 -4.529) 4.565 17.149 ( 10.337 0.000 -9.890) 14.306 17.347 ( 18.280 0.000 7.381) 19.714 19.485 ( -9.029 0.000 -24.199) 25.828 19.573 ( -9.575 0.000 23.547) 25.419 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.090 0.000 9.315) 9.379 1.640 ( -6.421 0.000 -5.417) 8.401 1.770 ( 6.009 0.000 -13.743) 15.000 1.963 ( 11.879 0.000 -12.370) 17.151 2.194 ( 1.675 0.000 -0.013) 1.675 2.284 ( 8.682 0.000 15.762) 17.995 2.792 ( -6.642 0.000 2.899) 7.247 2.868 ( -3.634 0.000 -8.306) 9.067 2.926 ( -8.071 0.000 -0.398) 8.081 3.235 ( -7.268 0.000 2.722) 7.761 3.412 ( -8.491 0.000 -5.448) 10.088 3.804 ( -2.635 0.000 6.661) 7.163 3.994 ( 5.731 0.000 -3.701) 6.822 4.179 ( 4.524 0.000 4.071) 6.086 4.319 ( 2.181 0.000 1.498) 2.646 4.429 ( -0.414 0.000 -3.612) 3.636 4.864 ( 6.155 0.000 -8.161) 10.222 4.866 ( 3.095 0.000 5.462) 6.278 5.602 ( -16.316 0.000 -7.747) 18.062 5.623 ( -14.998 0.000 7.390) 16.719 6.236 ( -0.087 0.000 3.939) 3.940 6.527 ( -1.198 0.000 1.066) 1.603 6.972 ( -5.109 0.000 3.427) 6.152 7.383 ( 0.031 0.000 -3.321) 3.321 7.403 ( -4.776 0.000 -2.055) 5.199 7.823 ( -7.440 0.000 3.121) 8.068 8.032 ( 14.982 0.000 3.256) 15.331 8.266 ( 8.324 0.000 5.811) 10.152 8.487 ( 6.472 0.000 -3.806) 7.508 8.511 ( -12.907 0.000 -4.336) 13.615 8.620 ( -3.238 0.000 -0.201) 3.244 8.962 ( -4.906 0.000 -8.011) 9.394 9.324 ( 0.575 0.000 -4.150) 4.190 9.466 ( 10.233 0.000 -4.869) 11.332 9.828 ( 1.177 0.000 10.026) 10.095 9.858 ( -0.984 0.000 -5.649) 5.734 10.110 ( 3.657 0.000 2.995) 4.727 10.411 ( 16.202 0.000 0.743) 16.219 10.546 ( 4.962 0.000 -0.336) 4.973 10.860 ( 2.995 0.000 2.873) 4.151 11.435 ( -8.197 0.000 -4.419) 9.312 12.038 ( -2.782 0.000 4.803) 5.550 12.059 ( -9.174 0.000 -9.486) 13.196 12.270 ( -7.277 0.000 0.977) 7.342 12.414 ( 7.158 0.000 -6.368) 9.581 12.641 ( 7.862 0.000 10.406) 13.042 13.362 ( -5.942 0.000 5.360) 8.002 13.796 ( -0.980 0.000 -4.265) 4.376 15.357 ( 7.574 0.000 15.044) 16.842 15.406 ( 1.775 0.000 -5.170) 5.466 15.879 ( 9.612 0.000 -6.765) 11.754 16.035 ( -5.044 0.000 12.876) 13.829 16.400 ( -1.771 0.000 -2.561) 3.114 16.456 ( -9.428 0.000 -2.038) 9.646 16.778 ( -4.889 0.000 7.732) 9.148 16.825 ( 1.343 0.000 -5.411) 5.575 17.216 ( 13.184 0.000 -13.054) 18.553 17.765 ( 18.842 0.000 8.146) 20.527 19.069 ( -7.776 0.000 -22.690) 23.985 19.608 ( -14.730 0.000 18.913) 23.972 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -1.040 0.000 21.241) 21.266 1.539 ( 2.199 0.000 -3.111) 3.810 1.738 ( 8.073 0.000 -10.776) 13.464 2.055 ( 14.195 0.000 -9.864) 17.286 2.133 ( -7.757 0.000 -0.351) 7.765 2.602 ( 3.180 0.000 11.665) 12.091 2.759 ( -9.538 0.000 -2.804) 9.941 2.780 ( 3.154 0.000 6.527) 7.249 2.801 ( 2.651 0.000 -2.050) 3.351 2.974 ( -16.864 0.000 -5.911) 17.870 3.342 ( -1.840 0.000 4.182) 4.569 3.808 ( -3.639 0.000 3.126) 4.798 4.056 ( 8.255 0.000 -6.299) 10.384 4.204 ( -1.091 0.000 -5.306) 5.417 4.343 ( -2.313 0.000 -7.960) 8.290 4.380 ( 1.972 0.000 1.324) 2.375 4.879 ( 6.966 0.000 -8.616) 11.080 4.954 ( 1.692 0.000 1.745) 2.430 5.279 ( -11.666 0.000 -5.372) 12.844 5.477 ( -11.581 0.000 5.555) 12.844 6.316 ( 0.938 0.000 9.206) 9.253 6.547 ( -0.365 0.000 4.583) 4.597 6.896 ( -5.260 0.000 -0.464) 5.280 7.341 ( -3.066 0.000 -0.794) 3.167 7.341 ( -2.045 0.000 1.102) 2.323 7.717 ( -4.439 0.000 -3.794) 5.840 8.222 ( 5.704 0.000 -1.928) 6.021 8.295 ( -6.973 0.000 -2.489) 7.404 8.452 ( 4.310 0.000 5.996) 7.385 8.576 ( -2.597 0.000 1.775) 3.146 8.591 ( 8.920 0.000 2.626) 9.298 8.799 ( -4.651 0.000 -5.974) 7.571 9.297 ( 0.671 0.000 -4.000) 4.056 9.597 ( 8.655 0.000 -1.918) 8.865 9.833 ( 5.514 0.000 -4.332) 7.013 9.898 ( -2.844 0.000 5.235) 5.958 10.209 ( 2.858 0.000 4.227) 5.103 10.585 ( 8.137 0.000 -8.696) 11.909 10.618 ( 4.085 0.000 -0.010) 4.085 11.034 ( 9.737 0.000 9.887) 13.877 11.273 ( -6.935 0.000 -1.257) 7.048 11.815 ( -7.068 0.000 -7.681) 10.438 12.014 ( -4.473 0.000 1.856) 4.843 12.143 ( -6.908 0.000 -2.115) 7.225 12.489 ( 8.233 0.000 -3.463) 8.932 12.814 ( 1.427 0.000 5.073) 5.270 13.359 ( -3.093 0.000 7.490) 8.103 13.728 ( -0.842 0.000 -4.619) 4.695 15.386 ( 1.974 0.000 -2.529) 3.208 15.622 ( 5.073 0.000 12.411) 13.407 16.026 ( 9.982 0.000 0.398) 9.990 16.107 ( -3.617 0.000 13.006) 13.500 16.242 ( -12.465 0.000 -2.659) 12.746 16.376 ( 0.910 0.000 0.934) 1.304 16.764 ( -5.696 0.000 5.787) 8.119 16.796 ( 2.399 0.000 -5.148) 5.680 17.294 ( 14.740 0.000 -14.911) 20.967 18.034 ( 4.333 0.000 -2.761) 5.138 18.825 ( 6.392 0.000 -10.790) 12.541 19.511 ( -18.779 0.000 13.999) 23.423 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -1.776 0.000 9.456) 9.621 1.773 ( -3.653 0.000 3.915) 5.355 1.847 ( 16.489 0.000 15.482) 22.618 1.995 ( 4.011 0.000 -9.902) 10.684 2.218 ( 15.903 0.000 -5.837) 16.940 2.547 ( -11.718 0.000 -2.396) 11.960 2.564 ( -16.283 0.000 -6.213) 17.429 2.691 ( -6.317 0.000 5.359) 8.284 2.882 ( 6.775 0.000 0.517) 6.795 2.942 ( 1.331 0.000 4.695) 4.880 3.460 ( 7.206 0.000 9.877) 12.227 3.763 ( -3.853 0.000 0.904) 3.958 4.046 ( -5.599 0.000 -11.298) 12.609 4.094 ( 3.032 0.000 -11.538) 11.930 4.211 ( 1.648 0.000 -5.847) 6.075 4.367 ( -4.871 0.000 -0.426) 4.890 4.888 ( -7.712 0.000 -3.556) 8.492 4.905 ( 7.146 0.000 -7.849) 10.615 5.198 ( 4.544 0.000 1.369) 4.746 5.352 ( -8.871 0.000 2.456) 9.205 6.483 ( 3.953 0.000 13.593) 14.156 6.606 ( 0.362 0.000 5.237) 5.250 6.813 ( -2.517 0.000 -2.031) 3.234 7.242 ( -6.271 0.000 -3.434) 7.150 7.344 ( -0.441 0.000 2.500) 2.539 7.600 ( -0.935 0.000 -7.978) 8.033 8.222 ( -0.242 0.000 -0.487) 0.544 8.248 ( 3.015 0.000 -3.816) 4.863 8.491 ( -3.082 0.000 1.749) 3.544 8.628 ( 0.849 0.000 7.729) 7.775 8.673 ( -1.588 0.000 -4.506) 4.778 8.812 ( 6.670 0.000 7.680) 10.172 9.265 ( 2.064 0.000 -4.153) 4.637 9.654 ( 0.468 0.000 -4.120) 4.147 9.871 ( -4.637 0.000 2.346) 5.197 9.917 ( 7.194 0.000 -1.916) 7.445 10.297 ( 1.455 0.000 4.987) 5.194 10.552 ( 0.916 0.000 -7.282) 7.339 10.692 ( 3.617 0.000 2.077) 4.171 11.070 ( -8.739 0.000 -4.276) 9.729 11.396 ( 10.625 0.000 11.512) 15.666 11.713 ( 2.860 0.000 -2.094) 3.544 11.925 ( -6.432 0.000 -1.908) 6.709 12.002 ( -4.976 0.000 -4.971) 7.034 12.607 ( 7.934 0.000 0.149) 7.935 12.796 ( -6.517 0.000 0.327) 6.525 13.415 ( -0.857 0.000 7.544) 7.592 13.674 ( 0.457 0.000 -4.253) 4.277 15.434 ( 4.275 0.000 1.975) 4.710 15.764 ( -3.541 0.000 6.172) 7.116 16.009 ( -9.760 0.000 -0.237) 9.763 16.146 ( 4.172 0.000 -0.955) 4.280 16.215 ( -1.556 0.000 12.801) 12.896 16.477 ( 5.105 0.000 5.852) 7.766 16.738 ( -4.222 0.000 6.094) 7.414 16.789 ( 2.931 0.000 -4.289) 5.195 17.366 ( 14.974 0.000 -16.419) 22.222 17.841 ( -9.745 0.000 -15.383) 18.210 19.045 ( 19.951 0.000 2.460) 20.102 19.303 ( -21.636 0.000 9.260) 23.534 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -0.437 0.000 9.578) 9.588 1.649 ( -8.207 0.000 0.445) 8.219 2.099 ( 6.574 0.000 -3.611) 7.500 2.167 ( 8.930 0.000 -7.938) 11.949 2.182 ( -13.335 0.000 -4.684) 14.133 2.419 ( 0.965 0.000 7.872) 7.931 2.475 ( 13.540 0.000 6.367) 14.962 2.688 ( -1.188 0.000 1.622) 2.011 2.921 ( -4.981 0.000 -0.599) 5.017 3.007 ( 6.427 0.000 0.859) 6.484 3.699 ( -8.171 0.000 1.785) 8.364 3.710 ( 6.283 0.000 6.008) 8.693 3.836 ( -0.616 0.000 -9.161) 9.182 3.924 ( 1.084 0.000 -11.180) 11.232 4.211 ( -10.093 0.000 -2.834) 10.483 4.294 ( 6.153 0.000 1.461) 6.324 4.721 ( -8.225 0.000 -1.080) 8.296 4.940 ( 6.167 0.000 -5.880) 8.521 5.246 ( -4.765 0.000 -0.170) 4.768 5.361 ( 11.852 0.000 1.476) 11.943 6.670 ( 1.398 0.000 4.029) 4.265 6.744 ( 4.436 0.000 11.312) 12.151 6.783 ( 3.365 0.000 3.850) 5.113 7.062 ( -5.268 0.000 -10.109) 11.399 7.373 ( 1.029 0.000 1.500) 1.819 7.526 ( 1.361 0.000 -5.847) 6.004 8.223 ( 0.027 0.000 -2.197) 2.197 8.253 ( 1.815 0.000 -2.474) 3.069 8.474 ( -1.472 0.000 4.141) 4.395 8.615 ( -0.091 0.000 -3.495) 3.497 8.729 ( 0.658 0.000 8.513) 8.538 8.941 ( 2.849 0.000 -0.942) 3.000 9.309 ( 2.786 0.000 4.446) 5.247 9.500 ( -8.729 0.000 -9.908) 13.204 9.806 ( -6.413 0.000 1.920) 6.695 9.993 ( 4.418 0.000 -2.356) 5.007 10.367 ( 0.382 0.000 4.653) 4.669 10.482 ( -1.895 0.000 -3.564) 4.037 10.791 ( 2.323 0.000 6.384) 6.793 10.849 ( -9.970 0.000 -4.957) 11.134 11.662 ( 7.890 0.000 9.320) 12.211 11.771 ( -6.746 0.000 -6.059) 9.068 11.851 ( 11.789 0.000 1.323) 11.863 11.863 ( -3.274 0.000 -6.814) 7.560 12.641 ( -10.333 0.000 -0.708) 10.357 12.745 ( 6.203 0.000 2.534) 6.700 13.485 ( -0.076 0.000 5.796) 5.796 13.643 ( 1.598 0.000 -4.146) 4.443 15.569 ( 5.641 0.000 6.220) 8.397 15.595 ( -14.119 0.000 -2.285) 14.303 15.967 ( -4.512 0.000 7.600) 8.838 16.187 ( 3.508 0.000 -3.096) 4.679 16.340 ( 0.838 0.000 9.709) 9.745 16.565 ( 0.263 0.000 2.235) 2.250 16.786 ( 1.946 0.000 -3.615) 4.105 16.802 ( 1.738 0.000 6.861) 7.077 17.452 ( 14.851 0.000 -11.912) 19.038 17.481 ( -10.450 0.000 -15.461) 18.662 19.003 ( -23.674 0.000 5.149) 24.227 19.435 ( 21.470 0.000 3.377) 21.734 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -18.513 0.000 -0.899) 18.534 1.524 ( -9.867 0.000 -1.073) 9.925 1.844 ( -7.443 0.000 -3.768) 8.343 2.239 ( 9.177 0.000 -6.712) 11.370 2.255 ( 7.237 0.000 -7.356) 10.319 2.558 ( 0.896 0.000 10.105) 10.145 2.675 ( -2.309 0.000 -1.429) 2.715 2.778 ( 12.857 0.000 6.380) 14.353 2.823 ( -2.532 0.000 -0.319) 2.553 3.085 ( 3.212 0.000 -3.084) 4.453 3.535 ( -6.162 0.000 -2.767) 6.755 3.683 ( -0.767 0.000 -4.196) 4.265 3.884 ( 5.981 0.000 2.888) 6.641 4.030 ( -6.569 0.000 -0.202) 6.572 4.048 ( 9.696 0.000 3.899) 10.450 4.389 ( 0.838 0.000 3.120) 3.230 4.591 ( -7.992 0.000 2.170) 8.282 4.972 ( 3.023 0.000 -2.504) 3.926 5.223 ( 4.548 0.000 -1.539) 4.801 5.611 ( 17.035 0.000 -0.259) 17.037 6.748 ( 0.676 0.000 -2.973) 3.049 6.756 ( 4.413 0.000 2.982) 5.326 6.863 ( -2.441 0.000 -12.446) 12.683 7.119 ( 9.078 0.000 20.364) 22.295 7.406 ( 2.801 0.000 -1.752) 3.304 7.504 ( 2.512 0.000 -4.595) 5.237 8.151 ( -4.238 0.000 -2.727) 5.040 8.267 ( 2.807 0.000 -1.244) 3.070 8.528 ( -0.041 0.000 5.368) 5.369 8.570 ( -2.345 0.000 -1.528) 2.799 8.864 ( 4.917 0.000 6.336) 8.020 8.906 ( 0.432 0.000 -8.689) 8.700 9.184 ( -13.283 0.000 -10.214) 16.756 9.369 ( -6.010 0.000 6.340) 8.735 9.692 ( -9.457 0.000 1.771) 9.621 10.028 ( 3.634 0.000 -1.892) 4.097 10.407 ( -3.292 0.000 -2.171) 3.943 10.407 ( -0.652 0.000 2.422) 2.508 10.655 ( -7.352 0.000 -3.484) 8.136 10.895 ( -2.030 0.000 10.505) 10.699 11.581 ( -5.043 0.000 -8.781) 10.126 11.771 ( 1.127 0.000 -5.108) 5.231 11.900 ( 8.724 0.000 8.433) 12.134 12.060 ( 11.705 0.000 -0.327) 11.710 12.460 ( -10.294 0.000 -0.576) 10.310 12.856 ( 3.077 0.000 2.800) 4.161 13.539 ( -0.250 0.000 4.327) 4.334 13.634 ( 3.199 0.000 -4.567) 5.576 15.342 ( -14.092 0.000 0.620) 14.105 15.729 ( 3.777 0.000 6.131) 7.201 15.943 ( -8.156 0.000 5.659) 9.927 16.224 ( 6.045 0.000 -3.151) 6.817 16.429 ( -0.882 0.000 3.835) 3.935 16.577 ( -1.322 0.000 2.539) 2.862 16.761 ( 0.013 0.000 -2.383) 2.383 16.871 ( 4.838 0.000 -5.634) 7.427 17.207 ( -4.153 0.000 -9.246) 10.136 17.619 ( 12.465 0.000 0.923) 12.499 18.636 ( -25.147 0.000 2.827) 25.305 19.812 ( 20.307 0.000 0.728) 20.320 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -21.883 0.000 3.081) 22.098 1.267 ( -21.272 0.000 6.927) 22.371 1.831 ( 10.882 0.000 -11.377) 15.743 2.098 ( -21.333 0.000 1.974) 21.424 2.191 ( 2.348 0.000 -15.523) 15.700 2.592 ( -3.807 0.000 2.017) 4.308 2.742 ( 9.183 0.000 5.111) 10.509 2.870 ( 3.904 0.000 2.257) 4.509 3.003 ( -1.767 0.000 -10.722) 10.867 3.074 ( 13.215 0.000 4.563) 13.981 3.480 ( 2.163 0.000 -2.134) 3.039 3.701 ( 1.915 0.000 4.789) 5.158 3.921 ( 1.220 0.000 -1.048) 1.608 4.117 ( 4.489 0.000 9.332) 10.355 4.223 ( 7.003 0.000 1.946) 7.268 4.368 ( -5.317 0.000 0.120) 5.318 4.510 ( -6.679 0.000 5.649) 8.748 4.982 ( 0.391 0.000 -0.728) 0.827 5.384 ( 15.043 0.000 0.536) 15.052 5.915 ( 21.564 0.000 -3.708) 21.881 6.684 ( 0.271 0.000 -13.483) 13.486 6.714 ( 0.247 0.000 -4.562) 4.568 6.923 ( 8.464 0.000 4.648) 9.656 7.374 ( -2.022 0.000 2.909) 3.542 7.496 ( 3.104 0.000 -5.293) 6.136 7.523 ( 9.886 0.000 12.748) 16.132 8.065 ( -2.649 0.000 -1.031) 2.843 8.337 ( 5.538 0.000 2.263) 5.982 8.499 ( -5.541 0.000 0.523) 5.566 8.558 ( -4.579 0.000 4.432) 6.373 8.745 ( -11.913 0.000 -10.890) 16.141 8.769 ( -3.409 0.000 -11.313) 11.816 9.130 ( 4.850 0.000 7.055) 8.561 9.222 ( -16.492 0.000 3.688) 16.899 9.571 ( -6.283 0.000 4.422) 7.683 10.079 ( 3.821 0.000 -1.482) 4.098 10.321 ( -3.163 0.000 -3.944) 5.056 10.388 ( -2.468 0.000 -1.594) 2.938 10.525 ( -5.500 0.000 -0.653) 5.539 10.926 ( -8.042 0.000 8.744) 11.880 11.452 ( 1.470 0.000 -7.596) 7.737 11.788 ( 4.047 0.000 -0.822) 4.129 12.120 ( 7.318 0.000 5.358) 9.070 12.231 ( 10.866 0.000 -2.027) 11.054 12.285 ( -9.072 0.000 -1.426) 9.184 12.893 ( -0.989 0.000 -0.061) 0.991 13.580 ( -0.597 0.000 4.570) 4.609 13.651 ( 5.685 0.000 -5.652) 8.017 15.152 ( -13.192 0.000 6.134) 14.548 15.793 ( 0.538 0.000 -1.517) 1.609 15.801 ( -12.992 0.000 0.895) 13.023 16.337 ( 8.796 0.000 0.650) 8.820 16.387 ( -2.734 0.000 -2.124) 3.462 16.581 ( -2.465 0.000 3.889) 4.604 16.789 ( 2.444 0.000 2.973) 3.849 16.847 ( 7.618 0.000 -16.234) 17.933 17.127 ( 1.704 0.000 -3.889) 4.246 17.834 ( 4.185 0.000 4.632) 6.243 18.277 ( -20.624 0.000 8.853) 22.444 20.112 ( 17.212 0.000 -3.682) 17.601 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -14.335 0.000 22.145) 26.380 1.045 ( -19.835 0.000 16.225) 25.625 1.696 ( -33.376 0.000 11.888) 35.430 1.840 ( 8.757 0.000 -17.088) 19.201 2.075 ( 5.136 0.000 -12.451) 13.469 2.650 ( 4.298 0.000 5.886) 7.289 2.762 ( -3.637 0.000 -16.655) 17.047 2.936 ( 7.649 0.000 0.336) 7.657 2.954 ( 1.769 0.000 3.648) 4.054 3.338 ( 10.937 0.000 3.793) 11.575 3.515 ( 3.711 0.000 -2.254) 4.342 3.819 ( 2.744 0.000 7.684) 8.160 3.954 ( 2.905 0.000 -0.877) 3.034 4.241 ( -6.300 0.000 -3.214) 7.072 4.254 ( 0.528 0.000 6.827) 6.848 4.323 ( 3.184 0.000 0.165) 3.188 4.494 ( -4.760 0.000 7.600) 8.968 4.964 ( -0.596 0.000 -2.226) 2.305 5.699 ( 18.755 0.000 2.623) 18.937 6.230 ( 23.846 0.000 -8.341) 25.263 6.557 ( 2.209 0.000 -13.075) 13.260 6.660 ( 0.253 0.000 -5.048) 5.054 7.113 ( 7.694 0.000 1.766) 7.895 7.320 ( -2.884 0.000 -2.393) 3.747 7.506 ( 5.689 0.000 -3.955) 6.929 7.723 ( -7.005 0.000 8.861) 11.296 8.050 ( 2.728 0.000 -1.419) 3.075 8.353 ( -8.950 0.000 -6.417) 11.013 8.379 ( -6.995 0.000 -4.234) 8.177 8.531 ( 7.702 0.000 9.265) 12.048 8.569 ( -9.357 0.000 -0.591) 9.376 8.635 ( -5.063 0.000 9.914) 11.132 9.002 ( -11.883 0.000 5.264) 12.997 9.191 ( -2.246 0.000 1.896) 2.939 9.666 ( 5.758 0.000 8.636) 10.379 10.093 ( 1.415 0.000 -4.464) 4.683 10.215 ( -2.241 0.000 -5.045) 5.520 10.281 ( -5.087 0.000 -5.946) 7.825 10.445 ( -4.693 0.000 0.523) 4.722 10.835 ( -8.598 0.000 2.101) 8.851 11.458 ( 5.421 0.000 0.422) 5.438 11.852 ( -0.608 0.000 6.381) 6.410 12.175 ( -2.614 0.000 1.941) 3.256 12.239 ( 4.182 0.000 -1.192) 4.348 12.384 ( 8.617 0.000 -0.936) 8.667 12.823 ( -2.947 0.000 -5.381) 6.135 13.618 ( -2.035 0.000 5.531) 5.894 13.695 ( 8.314 0.000 -6.932) 10.825 15.012 ( -16.087 0.000 10.326) 19.116 15.598 ( -8.725 0.000 0.053) 8.726 15.731 ( 0.689 0.000 -10.212) 10.235 16.349 ( -0.600 0.000 0.523) 0.796 16.487 ( 5.906 0.000 1.367) 6.062 16.595 ( -1.399 0.000 5.784) 5.951 16.777 ( 8.541 0.000 -19.772) 21.538 16.849 ( 0.627 0.000 1.902) 2.003 17.109 ( 2.056 0.000 -6.716) 7.024 17.631 ( -19.866 0.000 -6.194) 20.809 18.379 ( 2.458 0.000 25.529) 25.647 20.290 ( 12.268 0.000 -8.944) 15.182 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -13.380 0.000 23.645) 27.168 1.081 ( -12.594 0.000 25.407) 28.357 1.372 ( -20.871 0.000 26.115) 33.431 1.790 ( 10.425 0.000 -17.709) 20.550 2.112 ( 9.988 0.000 -4.517) 10.962 2.506 ( -1.682 0.000 -19.493) 19.566 2.802 ( 3.703 0.000 7.094) 8.003 3.001 ( -1.678 0.000 4.020) 4.356 3.049 ( 5.751 0.000 -0.527) 5.775 3.472 ( 1.987 0.000 -4.104) 4.560 3.556 ( 3.782 0.000 2.428) 4.494 3.925 ( 1.303 0.000 2.667) 2.968 3.995 ( 2.407 0.000 0.010) 2.407 4.134 ( -2.451 0.000 -0.020) 2.451 4.295 ( -3.446 0.000 5.513) 6.501 4.336 ( 0.135 0.000 -2.715) 2.718 4.508 ( -4.007 0.000 8.085) 9.023 4.918 ( -0.238 0.000 -4.202) 4.209 5.995 ( 12.065 0.000 0.822) 12.093 6.443 ( 5.436 0.000 -13.675) 14.716 6.530 ( 21.192 0.000 -10.065) 23.460 6.628 ( 1.450 0.000 -2.695) 3.060 7.164 ( -0.186 0.000 -3.680) 3.685 7.252 ( -3.887 0.000 -0.382) 3.906 7.486 ( -16.583 0.000 -4.312) 17.134 7.612 ( 9.537 0.000 -3.106) 10.030 8.065 ( -12.069 0.000 -6.935) 13.920 8.091 ( 2.021 0.000 -1.097) 2.299 8.349 ( 1.926 0.000 0.967) 2.155 8.406 ( -14.689 0.000 9.414) 17.447 8.736 ( -0.995 0.000 17.748) 17.776 8.840 ( 12.193 0.000 8.677) 14.966 9.025 ( 2.740 0.000 13.368) 13.646 9.199 ( -0.162 0.000 4.907) 4.910 9.743 ( -5.549 0.000 -0.714) 5.595 10.022 ( -0.351 0.000 -9.753) 9.759 10.119 ( -4.774 0.000 -6.707) 8.233 10.225 ( 7.067 0.000 0.572) 7.090 10.365 ( -4.580 0.000 0.132) 4.582 10.721 ( -6.678 0.000 0.542) 6.700 11.605 ( 6.192 0.000 2.602) 6.717 11.905 ( -3.482 0.000 11.090) 11.623 12.230 ( -0.798 0.000 -6.121) 6.173 12.234 ( 2.823 0.000 5.627) 6.296 12.465 ( 3.294 0.000 -2.977) 4.440 12.717 ( 1.011 0.000 -8.743) 8.801 13.625 ( -4.888 0.000 5.688) 7.499 13.777 ( 10.587 0.000 -7.150) 12.775 14.836 ( -18.570 0.000 11.832) 22.019 15.575 ( 0.918 0.000 6.631) 6.694 15.609 ( 3.189 0.000 -16.370) 16.678 16.374 ( 0.969 0.000 3.118) 3.265 16.526 ( 0.499 0.000 -3.472) 3.508 16.652 ( 1.383 0.000 -0.679) 1.541 16.710 ( 4.556 0.000 -9.609) 10.634 16.873 ( -0.825 0.000 3.259) 3.362 17.070 ( 2.638 0.000 -6.744) 7.241 17.241 ( -16.119 0.000 -5.090) 16.903 18.747 ( 3.548 0.000 28.733) 28.952 20.313 ( 6.026 0.000 -14.304) 15.521 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -11.430 6.977 17.274) 21.856 1.280 ( 0.082 6.693 19.616) 20.726 1.724 ( 4.347 4.263 -8.321) 10.311 1.939 ( 6.714 8.990 -0.208) 11.222 2.190 ( 4.077 6.042 5.610) 9.198 2.514 ( 6.190 11.221 -6.317) 14.288 2.854 ( -0.727 -4.806 5.485) 7.329 3.006 ( -4.215 1.712 3.719) 5.876 3.074 ( 2.274 -2.770 -3.413) 4.949 3.301 ( -3.554 -5.686 -9.559) 11.676 3.587 ( 1.096 -5.935 6.159) 8.623 3.883 ( -2.405 -4.598 -4.280) 6.727 4.040 ( 0.164 2.992 -0.313) 3.013 4.133 ( -1.620 1.659 -1.139) 2.583 4.251 ( -1.373 -0.373 7.634) 7.766 4.364 ( -2.199 1.297 0.487) 2.600 4.542 ( -1.024 -0.108 7.391) 7.463 4.814 ( 0.721 -5.154 -4.513) 6.889 6.066 ( 0.511 -2.885 -1.825) 3.452 6.293 ( -0.237 -6.123 -10.636) 12.275 6.581 ( -0.974 -2.463 0.680) 2.734 6.754 ( 5.303 -2.567 -6.941) 9.104 7.001 ( 8.603 -4.084 -2.778) 9.920 7.104 ( -12.385 -0.325 -6.216) 13.861 7.474 ( 1.941 7.588 -0.350) 7.840 7.665 ( 1.019 2.953 -8.366) 8.930 7.868 ( 3.290 -7.295 3.219) 8.625 7.967 ( -2.476 -8.503 -1.034) 8.916 8.238 ( -8.884 -3.510 6.068) 11.317 8.314 ( 6.090 -8.844 2.369) 10.996 8.984 ( 1.098 1.060 16.693) 16.763 9.169 ( 3.388 -2.467 9.470) 10.356 9.236 ( 4.098 7.477 7.062) 11.071 9.472 ( 7.445 7.109 6.023) 11.927 9.595 ( -10.607 3.067 -4.025) 11.752 9.883 ( 1.787 -1.985 -12.815) 13.090 9.930 ( -2.517 -0.850 -1.082) 2.868 10.296 ( -3.039 6.432 -6.592) 9.699 10.529 ( 4.640 4.700 5.573) 8.642 10.659 ( -3.732 2.777 0.006) 4.652 11.664 ( 0.576 -0.461 4.084) 4.150 11.955 ( -0.223 -5.220 0.518) 5.251 12.076 ( -0.103 -0.847 2.535) 2.675 12.298 ( -2.075 -3.616 3.076) 5.181 12.521 ( 1.929 6.106 -3.532) 7.313 12.715 ( 0.214 6.269 -8.793) 10.801 13.596 ( -5.264 1.099 5.052) 7.378 13.840 ( 6.470 -2.409 -6.166) 9.256 14.738 ( -9.708 2.393 14.474) 17.592 15.452 ( 4.996 -2.763 -14.408) 15.498 15.733 ( 3.138 0.749 6.387) 7.155 16.307 ( -0.775 -9.722 -7.246) 12.150 16.412 ( -0.116 -2.058 -4.508) 4.957 16.576 ( -2.582 -2.201 2.534) 4.234 16.621 ( -1.740 -2.843 1.492) 3.652 16.949 ( 4.923 -3.490 -8.143) 10.136 17.167 ( 0.326 14.888 1.204) 14.940 17.247 ( -1.312 15.295 -2.221) 15.511 19.047 ( 0.738 -5.634 28.116) 28.684 20.074 ( -0.588 -8.798 -18.575) 20.561 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.141 8.798 13.554) 16.199 1.522 ( 2.966 7.842 16.960) 18.919 1.712 ( 10.218 -6.014 -14.650) 18.847 2.018 ( 10.669 2.565 -11.129) 15.629 2.247 ( -6.424 10.391 2.144) 12.403 2.534 ( 2.750 16.008 -6.777) 17.600 2.870 ( -4.432 -5.758 4.637) 8.620 2.993 ( -3.049 -3.208 7.963) 9.110 3.065 ( -0.185 -1.611 -1.303) 2.080 3.156 ( -1.926 -3.490 -5.546) 6.830 3.674 ( -0.830 -4.842 7.824) 9.239 3.764 ( -3.521 -7.783 -6.025) 10.453 4.021 ( -3.743 2.636 0.422) 4.598 4.052 ( -3.480 4.333 -0.641) 5.595 4.300 ( -1.765 2.520 4.468) 5.425 4.378 ( 1.598 -0.159 3.049) 3.446 4.623 ( 0.970 -0.448 6.589) 6.675 4.790 ( 2.817 -5.595 -5.046) 8.044 5.989 ( -9.680 -2.232 2.130) 10.160 6.139 ( -5.426 -6.519 -8.203) 11.799 6.480 ( -7.764 6.150 -3.697) 10.572 6.637 ( -6.624 -5.369 -3.784) 9.329 6.946 ( -1.610 -6.381 -1.581) 6.768 7.239 ( 15.353 -1.896 1.767) 15.570 7.441 ( -2.725 1.491 -2.122) 3.762 7.697 ( 9.429 8.542 -3.751) 13.264 7.918 ( -1.406 -6.215 -0.841) 6.427 7.988 ( 5.770 -7.702 0.307) 9.628 8.142 ( -6.763 -4.113 3.472) 8.644 8.457 ( 6.560 -9.770 1.942) 11.928 9.127 ( -3.596 2.186 6.148) 7.450 9.231 ( -3.443 2.225 1.492) 4.363 9.413 ( 3.634 0.619 7.139) 8.034 9.433 ( -0.782 5.659 4.902) 7.527 9.531 ( 0.568 1.940 -8.779) 9.009 9.819 ( 7.081 -4.106 -7.942) 11.405 10.024 ( 1.843 5.653 11.210) 12.689 10.145 ( -2.295 5.816 -8.172) 10.290 10.577 ( -1.527 4.748 -0.488) 5.011 10.703 ( 5.897 2.578 2.775) 7.009 11.742 ( 0.239 -4.995 6.357) 8.088 11.850 ( -2.447 -0.889 -7.443) 7.885 12.174 ( 0.268 -0.372 8.103) 8.116 12.259 ( -4.264 -6.895 0.269) 8.111 12.532 ( 2.989 8.511 -1.357) 9.122 12.624 ( -0.030 7.157 -7.165) 10.127 13.546 ( -6.838 2.875 3.962) 8.409 13.838 ( 1.283 -3.994 -4.763) 6.347 14.844 ( 0.990 3.855 16.074) 16.559 15.394 ( 8.158 -2.095 -14.176) 16.489 15.854 ( -1.505 -2.585 9.111) 9.589 16.080 ( -3.370 -3.511 -15.165) 15.927 16.467 ( -1.714 -6.818 6.396) 9.504 16.504 ( -1.865 -4.020 -2.566) 5.121 16.733 ( 7.106 1.778 5.743) 9.308 16.976 ( 9.900 -2.825 -10.215) 14.503 17.193 ( -0.115 16.523 2.542) 16.717 17.203 ( -0.376 10.266 -1.699) 10.412 19.328 ( -4.046 -6.395 26.316) 27.383 19.787 ( -6.068 -8.324 -21.979) 24.273 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.650 9.111 8.053) 13.409 1.658 ( 5.155 -2.873 -5.557) 8.107 1.798 ( 11.357 -2.890 -4.627) 12.599 1.994 ( -9.638 3.316 -8.356) 13.180 2.115 ( 4.143 8.452 1.102) 9.477 2.474 ( 1.075 17.375 -7.279) 18.868 2.812 ( -7.037 -5.255 3.369) 9.406 2.972 ( -3.048 -5.326 -7.096) 9.381 3.053 ( -3.538 -2.338 2.180) 4.768 3.146 ( -1.597 -0.386 8.331) 8.492 3.586 ( -6.321 -6.619 -6.753) 11.374 3.764 ( -2.684 -2.172 6.636) 7.481 3.947 ( -0.343 -0.651 -0.787) 1.077 4.066 ( 0.733 1.943 4.260) 4.739 4.335 ( 0.824 5.267 3.424) 6.336 4.427 ( 1.320 -0.706 0.218) 1.513 4.714 ( 1.744 -3.031 5.526) 6.540 4.793 ( 4.527 -5.340 -5.455) 8.875 5.804 ( -15.879 -1.931 5.028) 16.768 5.924 ( -11.456 -3.805 -6.068) 13.511 6.312 ( -4.981 5.455 -3.044) 7.989 6.552 ( -1.591 -1.510 -0.592) 2.272 6.943 ( -0.892 -5.143 3.187) 6.116 7.362 ( -2.047 -2.903 -1.769) 3.968 7.450 ( 5.297 -4.264 -1.013) 6.875 7.826 ( 4.984 8.282 3.653) 10.333 7.870 ( -4.550 -5.525 -0.130) 7.158 8.070 ( 7.138 -10.042 -2.205) 12.516 8.147 ( 4.549 -4.259 1.076) 6.324 8.542 ( 1.923 -8.546 -0.302) 8.765 9.023 ( -7.518 11.433 -0.685) 13.701 9.153 ( -3.530 2.304 -5.279) 6.755 9.403 ( 0.885 1.573 -10.564) 10.717 9.462 ( 3.515 4.088 -1.662) 5.642 9.646 ( 4.139 0.716 12.961) 13.625 9.914 ( 8.094 -1.485 -2.121) 8.498 10.077 ( -3.430 3.398 1.295) 4.998 10.127 ( 6.208 0.200 1.090) 6.306 10.611 ( 5.283 9.251 1.161) 10.716 10.810 ( 4.286 1.573 0.990) 4.672 11.640 ( -7.102 0.436 -6.139) 9.398 11.888 ( 1.391 -7.717 5.947) 9.841 12.101 ( -6.830 -10.384 -3.715) 12.972 12.291 ( -1.021 -0.815 4.868) 5.040 12.565 ( 1.748 10.787 -4.849) 11.955 12.611 ( 5.632 12.262 3.322) 13.897 13.463 ( -7.484 2.946 3.149) 8.637 13.798 ( -0.542 -4.506 -3.024) 5.454 15.085 ( 6.071 2.557 13.694) 15.196 15.407 ( 7.643 -0.175 -7.289) 10.563 15.828 ( -2.059 -5.397 -3.959) 7.002 15.977 ( -1.116 -0.532 1.721) 2.119 16.433 ( -0.742 -2.449 -2.619) 3.662 16.508 ( -3.721 -5.998 5.607) 9.014 16.841 ( -0.436 10.909 -0.353) 10.924 17.041 ( 9.923 0.860 -9.357) 13.666 17.185 ( 0.151 9.237 -2.123) 9.478 17.334 ( 13.248 1.495 7.366) 15.232 19.396 ( -9.374 -8.068 -23.147) 26.244 19.494 ( -9.411 -6.996 22.480) 25.355 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.734 9.206 7.385) 11.825 1.637 ( 0.830 -0.224 -7.565) 7.614 1.777 ( 0.442 1.014 -9.904) 9.966 1.881 ( 6.755 -2.460 -6.100) 9.428 2.319 ( 7.529 3.397 12.660) 15.116 2.428 ( 0.225 15.934 -3.524) 16.320 2.727 ( -6.775 -4.733 2.748) 8.710 2.827 ( -2.238 -4.357 -7.335) 8.820 2.966 ( -7.318 3.562 1.194) 8.226 3.189 ( -5.121 -3.790 5.374) 8.335 3.371 ( -8.773 -3.632 -6.849) 11.708 3.756 ( -4.429 -4.570 4.180) 7.614 4.009 ( 6.242 0.400 -0.725) 6.297 4.135 ( 3.008 -3.808 1.230) 5.006 4.375 ( 1.814 3.202 -2.680) 4.553 4.428 ( 0.335 1.608 -1.718) 2.377 4.799 ( 4.203 -5.799 -0.671) 7.193 4.820 ( 3.108 -4.620 -0.157) 5.570 5.601 ( -13.750 -1.329 0.035) 13.814 5.644 ( -14.405 0.649 0.026) 14.420 6.259 ( -1.530 1.514 2.173) 3.059 6.547 ( -0.378 1.502 2.377) 2.837 6.958 ( -2.884 -1.563 3.555) 4.837 7.316 ( -0.892 -2.789 -0.872) 3.056 7.449 ( -0.630 -1.005 -2.626) 2.881 7.743 ( -9.659 -6.656 1.257) 11.797 7.973 ( 5.513 -3.931 3.652) 7.693 8.067 ( -0.371 -18.057 -4.181) 18.538 8.360 ( 11.335 4.120 3.786) 12.641 8.530 ( -0.253 -2.738 -0.754) 2.851 8.901 ( -4.038 14.128 -3.354) 15.072 9.029 ( -2.014 4.275 -7.090) 8.520 9.308 ( -1.015 1.050 -7.093) 7.242 9.542 ( 8.624 4.618 -1.589) 9.911 9.804 ( 0.510 0.158 5.800) 5.825 9.980 ( 3.678 6.191 -0.695) 7.235 10.073 ( 1.926 -2.831 3.265) 4.731 10.330 ( 12.996 -3.172 2.330) 13.579 10.723 ( 6.164 10.413 -1.124) 12.153 10.881 ( 3.246 1.424 2.362) 4.259 11.445 ( -8.638 0.626 -4.419) 9.723 11.909 ( -6.279 -11.635 -2.184) 13.401 11.968 ( -2.167 -4.992 1.025) 5.538 12.268 ( -4.493 0.677 0.448) 4.566 12.564 ( 4.287 11.232 -4.174) 12.726 12.784 ( 6.755 11.035 5.976) 14.252 13.385 ( -6.016 1.700 3.912) 7.375 13.752 ( -1.098 -3.564 -2.868) 4.705 15.267 ( 4.112 -3.889 0.578) 5.690 15.515 ( 5.828 6.028 8.596) 12.008 15.828 ( 4.780 -4.689 -0.049) 6.696 16.002 ( -0.247 -0.914 5.150) 5.236 16.412 ( 0.443 0.863 -0.524) 1.103 16.457 ( -7.908 -1.261 1.449) 8.138 16.783 ( -3.011 7.576 -1.105) 8.227 17.069 ( 1.166 12.705 -3.830) 13.321 17.172 ( 8.398 -1.242 -10.805) 13.741 17.717 ( 17.974 -4.140 8.911) 20.484 18.978 ( -8.627 -8.375 -22.359) 25.386 19.524 ( -14.499 -7.495 18.300) 24.521 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.152 6.565 16.991) 18.682 1.564 ( 5.085 2.891 -2.019) 6.188 1.768 ( 9.197 3.159 -8.910) 13.190 1.910 ( 3.729 -5.514 -4.560) 8.068 2.369 ( -1.902 13.296 -3.902) 13.986 2.565 ( 3.637 -3.036 10.192) 11.239 2.676 ( -4.580 -3.169 3.725) 6.701 2.727 ( -2.086 -2.693 -3.845) 5.137 2.930 ( 0.269 7.229 3.271) 7.939 3.008 ( -12.651 2.320 -4.585) 13.655 3.266 ( -1.768 -6.498 3.435) 7.560 3.725 ( -3.953 -7.293 2.502) 8.665 4.074 ( 6.091 0.455 -7.128) 9.387 4.175 ( 1.843 -3.387 -3.126) 4.964 4.318 ( -1.142 -1.498 -6.863) 7.116 4.397 ( -0.134 1.932 -4.818) 5.193 4.830 ( 4.321 -4.883 -5.218) 8.351 4.882 ( 1.194 -6.535 2.061) 6.955 5.344 ( -9.791 2.958 -4.297) 11.094 5.490 ( -10.696 0.538 5.210) 11.910 6.300 ( 0.526 -1.363 6.749) 6.906 6.588 ( 0.164 2.975 4.668) 5.538 6.911 ( -4.666 1.154 0.186) 4.810 7.320 ( 0.612 0.364 1.228) 1.419 7.416 ( -1.624 2.376 0.146) 2.881 7.569 ( -8.445 -12.040 -4.831) 15.479 8.009 ( 1.524 -10.016 -2.927) 10.545 8.113 ( 1.934 -15.133 6.750) 16.682 8.403 ( -1.473 -7.643 -3.253) 8.437 8.608 ( 2.265 11.525 0.372) 11.751 8.870 ( 2.647 10.312 -1.702) 10.782 8.962 ( 1.885 12.159 0.377) 12.310 9.193 ( -1.601 -5.339 -8.306) 10.003 9.684 ( 6.678 4.229 1.447) 8.036 9.842 ( 2.183 2.795 0.674) 3.610 10.052 ( 2.355 10.209 2.486) 10.767 10.176 ( 3.651 -3.843 5.150) 7.391 10.530 ( 9.127 -2.211 -1.970) 9.595 10.745 ( 1.820 7.366 -5.786) 9.542 11.029 ( 7.555 -0.806 6.815) 10.206 11.268 ( -7.726 -0.464 -1.466) 7.878 11.744 ( -5.814 -6.506 -4.876) 9.996 11.958 ( -2.514 -4.523 1.388) 5.358 12.174 ( -5.620 2.874 -1.649) 6.524 12.614 ( 6.129 10.258 -2.512) 12.211 12.912 ( 1.962 8.403 2.380) 8.951 13.362 ( -2.899 0.094 5.357) 6.092 13.692 ( -1.709 -2.728 -3.631) 4.853 15.307 ( 4.041 -3.847 -1.768) 5.853 15.731 ( 2.392 5.670 14.394) 15.654 15.928 ( 1.935 -5.956 5.391) 8.264 16.109 ( 6.239 2.229 3.760) 7.618 16.280 ( -11.479 2.574 -1.115) 11.817 16.441 ( 1.706 3.969 2.751) 5.121 16.748 ( -0.814 3.047 0.274) 3.166 16.997 ( -4.490 14.062 -2.460) 14.965 17.224 ( 14.585 -4.755 -15.540) 21.836 17.998 ( 4.575 -3.348 -1.450) 5.852 18.712 ( 5.128 -10.511 -11.072) 16.105 19.425 ( -18.479 -7.758 13.293) 24.049 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.775 1.074 6.004) 6.149 1.774 ( -7.118 -1.132 2.781) 7.725 1.897 ( 12.622 4.486 15.801) 20.715 1.956 ( 14.225 0.399 -8.515) 16.584 2.342 ( 6.128 7.571 -4.458) 10.712 2.525 ( -11.425 -0.406 0.153) 11.433 2.628 ( -8.697 3.735 -2.960) 9.917 2.684 ( -7.360 1.832 4.267) 8.703 2.831 ( 6.294 -2.630 1.297) 6.944 3.003 ( -0.735 3.807 0.565) 3.918 3.389 ( 7.261 -5.897 9.183) 13.108 3.675 ( -4.903 -8.038 1.898) 9.605 4.003 ( -0.923 -0.515 -14.641) 14.679 4.151 ( 3.414 -3.786 -4.384) 6.724 4.196 ( -2.545 3.783 -10.067) 11.052 4.326 ( -3.330 -3.338 -3.083) 5.634 4.805 ( -3.057 -6.279 -2.547) 7.434 4.888 ( 2.611 -3.982 -4.509) 6.558 5.260 ( 2.776 3.080 0.471) 4.173 5.377 ( -8.091 1.413 2.541) 8.598 6.436 ( 3.668 -3.903 11.417) 12.611 6.645 ( -0.100 2.762 4.858) 5.589 6.836 ( -2.638 1.993 -1.536) 3.645 7.270 ( -7.062 0.269 -7.726) 10.471 7.384 ( -1.807 3.264 2.971) 4.769 7.454 ( 2.180 -10.052 -2.542) 10.595 8.033 ( 2.439 -8.471 0.116) 8.816 8.197 ( 1.350 -11.913 1.412) 12.072 8.365 ( -0.716 -12.410 2.822) 12.747 8.605 ( 0.776 9.005 -1.473) 9.158 8.821 ( -2.535 9.305 -3.939) 10.417 8.999 ( -1.807 1.079 -5.914) 6.277 9.220 ( 9.078 5.844 5.806) 12.258 9.739 ( -1.104 4.247 -0.630) 4.433 9.906 ( 2.108 6.776 2.342) 7.473 10.103 ( 1.447 10.278 0.732) 10.405 10.287 ( 2.267 -1.229 5.464) 6.042 10.564 ( 0.965 0.409 -6.425) 6.510 10.727 ( 2.076 2.673 -0.534) 3.427 11.034 ( -7.945 -2.877 -4.200) 9.436 11.347 ( 9.576 -4.040 8.914) 13.692 11.646 ( -0.870 -5.990 -2.451) 6.530 11.913 ( -2.866 -1.032 -0.530) 3.092 12.053 ( -4.804 4.261 -3.963) 7.546 12.708 ( 6.586 9.271 -0.037) 11.372 12.896 ( -4.263 9.158 -1.366) 10.193 13.398 ( -0.595 -1.365 5.621) 5.815 13.621 ( -1.275 -4.266 -4.039) 6.011 15.399 ( 6.610 -1.310 2.679) 7.252 15.883 ( -4.747 6.440 12.979) 15.247 15.939 ( -6.048 -4.223 -5.484) 9.191 16.054 ( -5.816 -1.009 6.831) 9.028 16.348 ( 8.105 5.535 7.334) 12.253 16.529 ( 3.530 5.579 3.891) 7.663 16.748 ( -1.120 2.129 2.562) 3.514 16.891 ( -2.373 9.254 -4.900) 10.737 17.296 ( 15.051 -4.349 -15.565) 22.085 17.809 ( -9.857 -3.200 -14.979) 18.215 18.925 ( 19.226 -10.917 3.224) 22.343 19.215 ( -20.682 -7.747 8.277) 23.586 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -3.522 -2.375 4.045) 5.866 1.673 ( 0.174 2.319 1.712) 2.888 2.084 ( -4.911 0.084 -3.693) 6.145 2.148 ( 12.161 3.382 -2.219) 12.816 2.340 ( -8.498 4.500 -4.749) 10.725 2.468 ( 2.880 7.230 4.360) 8.920 2.496 ( 8.058 2.243 9.961) 13.007 2.723 ( 1.854 3.917 2.249) 4.882 2.914 ( -3.207 -0.380 -0.978) 3.374 2.989 ( 4.666 -1.533 -0.129) 4.913 3.554 ( -3.370 -9.534 -0.979) 10.160 3.625 ( 0.841 -7.944 4.017) 8.942 3.853 ( 1.429 2.158 -6.785) 7.262 4.024 ( -0.470 5.300 -9.943) 11.277 4.169 ( -5.387 -3.989 -1.565) 6.884 4.219 ( 0.401 -5.783 -1.510) 5.990 4.720 ( -4.045 -1.433 0.687) 4.346 4.894 ( 4.192 -4.730 -5.199) 8.184 5.287 ( -3.676 2.298 0.046) 4.336 5.394 ( 10.571 1.115 1.223) 10.700 6.653 ( 0.817 -5.468 9.852) 11.297 6.696 ( 4.055 -0.913 7.598) 8.661 6.821 ( 2.395 3.366 0.469) 4.158 7.025 ( -6.187 -4.576 -12.818) 14.951 7.395 ( -0.413 2.116 1.287) 2.511 7.504 ( 4.865 -0.523 -0.919) 4.979 8.068 ( 0.050 -10.652 1.302) 10.731 8.176 ( 0.881 -4.597 -5.478) 7.206 8.469 ( 2.313 -17.628 10.600) 20.699 8.620 ( 1.553 4.018 0.250) 4.315 8.716 ( -4.506 8.391 -3.735) 10.230 8.883 ( -0.517 -4.238 -9.756) 10.649 9.434 ( 3.869 11.505 9.430) 15.370 9.634 ( -6.653 9.155 -6.756) 13.180 9.933 ( -3.104 9.931 4.309) 11.262 10.108 ( 0.223 7.539 -2.267) 7.876 10.368 ( 0.686 0.184 4.421) 4.478 10.490 ( -1.751 0.011 -3.523) 3.934 10.787 ( 1.143 -0.759 4.064) 4.290 10.843 ( -7.203 -0.296 -4.014) 8.252 11.554 ( 1.002 -7.965 2.125) 8.304 11.649 ( 6.451 -9.788 -0.800) 11.750 11.886 ( -0.679 4.429 0.298) 4.490 11.949 ( 0.005 4.280 -3.258) 5.379 12.760 ( -7.869 11.741 -2.446) 14.344 12.825 ( 5.276 8.058 1.777) 9.794 13.452 ( -0.450 -2.754 4.371) 5.186 13.575 ( 1.392 -5.777 -3.319) 6.806 15.579 ( 6.825 0.996 6.285) 9.331 15.641 ( -13.086 3.844 -5.057) 14.546 15.980 ( -4.680 -0.539 11.919) 12.816 16.079 ( -1.973 -2.723 4.928) 5.966 16.537 ( 2.571 12.348 1.005) 12.653 16.577 ( 1.013 0.937 4.592) 4.795 16.802 ( 2.724 1.844 1.523) 3.625 16.820 ( 1.822 4.677 -4.245) 6.574 17.376 ( 7.113 -5.131 -9.193) 12.706 17.481 ( -2.395 -1.113 -15.232) 15.460 18.908 ( -23.022 -8.245 4.731) 24.908 19.325 ( 21.289 -9.983 3.486) 23.771 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -8.287 -0.082 -0.372) 8.296 1.600 ( -12.169 8.427 -2.993) 15.102 1.904 ( -4.279 3.800 -4.359) 7.194 2.219 ( 5.112 1.010 -5.933) 7.896 2.366 ( 9.523 6.087 -3.905) 11.957 2.555 ( -3.829 3.185 6.938) 8.540 2.692 ( 2.373 0.423 4.165) 4.812 2.791 ( -3.385 -2.882 -0.798) 4.517 2.833 ( 8.681 5.987 1.002) 10.593 3.068 ( 3.624 -1.677 -1.527) 4.275 3.408 ( -5.059 -9.065 -2.431) 10.662 3.731 ( 2.309 -1.586 3.467) 4.458 3.796 ( 2.499 -2.677 -4.324) 5.666 4.021 ( -3.773 -1.179 -2.033) 4.445 4.081 ( 6.426 1.243 3.486) 7.415 4.244 ( -1.479 -9.005 3.037) 9.617 4.690 ( -2.952 4.672 2.570) 6.095 4.901 ( 1.881 -6.739 -2.405) 7.398 5.287 ( 5.384 3.041 -1.062) 6.274 5.618 ( 15.391 -0.536 -0.274) 15.403 6.661 ( -1.604 -5.620 -0.197) 5.848 6.801 ( -1.782 -2.348 -11.014) 11.402 6.862 ( 4.679 2.775 0.353) 5.451 7.021 ( 7.515 -7.531 17.072) 20.115 7.399 ( 0.812 0.197 -1.201) 1.463 7.573 ( 5.775 4.580 -3.158) 8.019 8.043 ( -2.076 -9.330 -2.361) 9.845 8.163 ( 1.840 -6.244 0.066) 6.510 8.581 ( -1.478 -10.683 0.093) 10.785 8.594 ( -6.911 -1.496 4.744) 8.515 8.644 ( 1.649 -6.623 -7.026) 9.796 8.825 ( 3.177 4.177 2.633) 5.871 9.362 ( -11.585 11.240 -11.043) 19.557 9.537 ( -4.014 10.932 6.698) 13.435 9.874 ( -8.022 12.369 0.497) 14.751 10.108 ( 1.974 6.232 0.470) 6.554 10.398 ( -1.452 -0.933 0.797) 1.901 10.433 ( -1.732 2.024 -1.144) 2.900 10.680 ( -5.549 1.602 -2.704) 6.377 10.881 ( -1.665 -1.458 9.094) 9.359 11.463 ( -3.443 -7.561 -6.485) 10.539 11.726 ( 2.970 -3.493 -4.728) 6.586 11.938 ( 6.015 -1.794 4.269) 7.591 12.018 ( 5.138 1.735 2.708) 6.062 12.603 ( -6.833 13.522 -2.184) 15.307 12.916 ( 2.482 6.251 2.268) 7.098 13.472 ( -0.422 -5.751 1.442) 5.943 13.601 ( 3.766 -2.561 -0.776) 4.620 15.349 ( -13.655 1.918 -2.645) 14.040 15.794 ( 4.066 2.698 8.522) 9.821 15.993 ( -6.496 5.870 6.743) 11.051 16.105 ( -0.278 -7.028 4.047) 8.115 16.456 ( -3.751 1.390 -3.903) 5.589 16.660 ( -2.014 2.115 -1.573) 3.317 16.759 ( 1.407 0.963 -2.417) 2.958 16.897 ( 7.114 7.201 -4.860) 11.229 17.229 ( -0.792 3.086 -7.356) 8.016 17.582 ( 12.036 -3.654 1.661) 12.687 18.547 ( -24.365 -7.860 2.118) 25.689 19.702 ( 20.280 -9.868 0.924) 22.572 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -19.259 10.283 0.050) 21.832 1.374 ( -14.502 7.487 4.220) 16.857 1.893 ( 9.038 5.025 -9.292) 13.903 2.144 ( -2.410 1.877 -10.872) 11.293 2.287 ( -13.996 11.725 -1.329) 18.307 2.543 ( -4.249 -3.098 4.329) 6.812 2.743 ( 6.176 -0.919 0.117) 6.245 2.818 ( 3.419 -2.888 -0.203) 4.480 3.047 ( 3.891 3.240 -3.070) 5.921 3.085 ( 10.370 1.207 2.679) 10.779 3.378 ( 2.188 -8.111 -0.206) 8.404 3.745 ( 1.865 1.354 1.044) 2.530 3.859 ( 2.108 -4.933 1.184) 5.493 4.061 ( 4.792 -2.726 5.517) 7.800 4.211 ( -1.473 -5.294 5.338) 7.661 4.250 ( 2.931 -3.037 1.279) 4.411 4.637 ( -6.411 6.395 1.812) 9.235 4.913 ( 0.703 -6.655 0.118) 6.693 5.452 ( 14.394 2.447 0.288) 14.604 5.893 ( 19.559 -2.713 -3.255) 20.013 6.570 ( -0.922 -7.868 -9.197) 12.138 6.733 ( 1.955 0.035 -4.484) 4.892 6.964 ( 5.570 2.201 2.583) 6.522 7.301 ( 1.919 -9.351 11.384) 14.857 7.405 ( 3.907 -1.388 -1.073) 4.283 7.627 ( 5.599 4.313 -3.338) 7.816 7.991 ( 0.094 -6.153 -2.123) 6.510 8.222 ( 2.401 -10.289 2.788) 10.927 8.424 ( -7.192 -11.051 -7.337) 15.089 8.548 ( -3.680 1.245 -3.143) 4.997 8.603 ( -5.971 -3.324 10.443) 12.480 8.919 ( -7.652 0.766 0.283) 7.695 9.084 ( -1.165 11.031 -4.231) 11.872 9.478 ( -8.789 11.054 2.450) 14.333 9.737 ( -6.430 9.580 1.640) 11.654 10.142 ( 1.386 5.778 -1.179) 6.058 10.325 ( -3.034 -1.898 -5.717) 6.745 10.394 ( -3.392 1.903 -0.646) 3.942 10.593 ( -3.704 5.315 0.723) 6.519 10.909 ( -6.999 -1.818 7.787) 10.627 11.385 ( 2.598 -1.831 -3.633) 4.827 11.748 ( 4.168 -1.961 -0.384) 4.622 12.038 ( 1.754 -10.351 -0.425) 10.507 12.164 ( 6.126 3.150 5.290) 8.685 12.506 ( -1.570 13.227 -1.938) 13.460 12.948 ( -0.580 5.603 0.213) 5.637 13.495 ( 1.828 -6.265 1.147) 6.626 13.657 ( 3.474 -0.208 -0.658) 3.542 15.132 ( -12.360 0.210 2.717) 12.657 15.784 ( -11.953 -0.419 1.851) 12.103 15.951 ( -2.874 11.302 -1.266) 11.731 16.172 ( 2.005 -9.468 3.234) 10.204 16.402 ( 2.527 -0.515 -0.141) 2.583 16.567 ( -3.520 -1.702 -1.026) 4.042 16.745 ( 2.495 -3.442 -7.874) 8.948 16.963 ( 5.170 8.983 -1.947) 10.546 17.204 ( 6.236 11.303 -7.984) 15.178 17.812 ( 4.622 -2.347 6.247) 8.117 18.188 ( -19.997 -8.074 7.790) 22.929 20.005 ( 17.189 -9.680 -3.355) 20.010 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -15.220 10.274 11.393) 21.610 1.213 ( -16.147 9.142 12.736) 22.505 1.874 ( -3.100 7.232 -5.792) 9.770 1.958 ( -11.059 17.669 1.187) 20.879 2.073 ( 0.196 1.162 -9.548) 9.620 2.573 ( 2.192 -4.672 2.466) 5.719 2.748 ( -0.206 -2.504 -6.641) 7.100 2.890 ( 5.526 -2.227 -0.059) 5.958 3.055 ( 3.493 6.645 -1.264) 7.613 3.332 ( 10.334 -1.242 3.342) 10.932 3.428 ( 3.732 -6.961 -1.578) 8.055 3.820 ( 3.294 -2.810 3.447) 5.534 3.939 ( 3.689 0.166 4.533) 5.847 4.138 ( -1.641 -5.058 -0.852) 5.385 4.222 ( 0.224 -3.003 4.255) 5.213 4.336 ( 2.282 -0.606 2.931) 3.763 4.548 ( -6.939 3.833 3.632) 8.720 4.907 ( -0.745 -5.553 -1.399) 5.775 5.737 ( 17.193 0.159 1.092) 17.228 6.178 ( 21.000 -5.258 -7.206) 22.816 6.480 ( 2.050 -5.600 -8.303) 10.222 6.707 ( 2.003 2.348 -6.028) 6.772 7.069 ( 2.576 -4.334 0.340) 5.054 7.321 ( 0.532 -0.936 -1.282) 1.674 7.501 ( 4.920 -0.958 -1.499) 5.231 7.686 ( -1.522 -5.269 4.811) 7.295 8.008 ( 3.464 -4.731 -1.563) 6.068 8.163 ( -6.266 -11.158 -7.382) 14.774 8.318 ( -4.208 -6.058 1.400) 7.508 8.393 ( -12.486 -7.437 0.751) 14.552 8.686 ( 1.080 2.140 12.857) 13.079 8.740 ( -6.329 10.738 6.272) 13.953 9.095 ( -2.264 7.376 1.216) 7.811 9.346 ( -6.830 10.846 0.570) 12.829 9.764 ( 2.824 2.595 5.600) 6.787 10.116 ( -0.712 2.673 -5.686) 6.323 10.198 ( -2.551 -1.828 -5.916) 6.697 10.290 ( -4.457 0.930 -4.895) 6.685 10.555 ( -3.640 8.741 2.323) 9.750 10.835 ( -7.657 -0.281 2.432) 8.039 11.467 ( 6.617 0.923 2.358) 7.085 11.835 ( 1.463 -1.716 5.177) 5.647 12.030 ( 0.342 -9.636 -0.974) 9.691 12.285 ( 2.549 1.118 2.250) 3.579 12.501 ( 2.999 8.714 -2.138) 9.460 12.902 ( -2.002 7.347 -4.114) 8.655 13.558 ( 2.279 -4.639 3.051) 6.002 13.701 ( 4.468 -0.153 -2.617) 5.181 14.981 ( -13.973 -0.829 8.068) 16.156 15.578 ( -9.705 -0.786 -0.958) 9.784 15.843 ( -2.263 7.795 -9.070) 12.172 16.214 ( 0.849 -9.252 1.680) 9.442 16.517 ( 4.517 -2.185 4.426) 6.691 16.535 ( -1.238 0.409 2.473) 2.796 16.683 ( 3.830 -4.247 -11.844) 13.152 17.010 ( 2.788 5.120 -1.819) 6.107 17.223 ( 5.699 16.464 -7.308) 18.893 17.614 ( -18.889 -1.504 -5.475) 19.724 18.317 ( 3.723 -5.801 25.212) 26.138 20.186 ( 12.200 -9.476 -8.534) 17.649 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -12.120 6.579 17.179) 22.029 1.136 ( -12.304 5.234 19.930) 24.000 1.758 ( -8.062 18.336 6.349) 21.012 1.865 ( 0.336 13.769 -1.162) 13.822 2.073 ( 8.106 -1.865 -4.931) 9.670 2.545 ( 2.476 2.878 -11.372) 11.989 2.773 ( 2.681 -3.055 5.050) 6.483 2.973 ( 3.437 -2.686 1.372) 4.573 3.087 ( 0.858 3.917 -1.078) 4.152 3.425 ( 0.736 -5.604 -6.818) 8.856 3.490 ( 4.382 -4.900 3.776) 7.581 3.907 ( 1.833 -3.057 2.108) 4.141 4.035 ( 2.532 3.315 -1.390) 4.397 4.099 ( 0.135 -2.980 2.909) 4.166 4.243 ( -2.835 -1.048 2.972) 4.239 4.383 ( -0.244 0.826 1.622) 1.837 4.506 ( -4.439 -0.047 6.393) 7.784 4.863 ( -0.853 -5.072 -3.488) 6.215 5.989 ( 11.148 -2.697 -0.950) 11.509 6.370 ( 8.377 -7.900 -10.857) 15.826 6.480 ( 10.400 -2.394 -3.715) 11.300 6.693 ( 6.380 3.642 -7.182) 10.274 7.032 ( -2.674 -8.861 -3.806) 10.008 7.322 ( -2.304 2.289 -1.343) 3.514 7.492 ( -2.171 -0.116 -6.434) 6.792 7.679 ( 0.501 2.079 2.591) 3.360 7.953 ( -8.913 -10.588 -5.169) 14.774 8.027 ( -3.411 -5.020 -2.595) 6.600 8.189 ( 1.714 -5.650 1.146) 6.014 8.329 ( -8.164 -7.932 7.294) 13.519 8.796 ( -0.952 3.867 14.725) 15.254 8.949 ( 5.005 -0.505 17.311) 18.028 9.105 ( 3.560 14.273 2.245) 14.880 9.309 ( -0.552 6.803 5.702) 8.894 9.791 ( -5.505 0.512 -1.854) 5.831 9.994 ( -1.097 -1.501 -9.542) 9.721 10.078 ( -5.172 -2.548 -7.568) 9.514 10.270 ( 6.912 3.207 0.028) 7.620 10.504 ( -4.672 10.259 1.156) 11.331 10.736 ( -5.978 0.957 0.868) 6.116 11.600 ( 4.340 1.141 2.491) 5.132 11.888 ( -2.408 -1.750 8.452) 8.961 12.066 ( 3.548 -9.381 -0.889) 10.069 12.303 ( -1.402 0.574 0.776) 1.702 12.525 ( 2.470 5.334 -2.811) 6.516 12.809 ( -0.438 8.255 -7.872) 11.415 13.606 ( -2.594 -1.548 5.254) 6.060 13.768 ( 8.803 -1.259 -5.349) 10.377 14.828 ( -16.462 0.295 11.032) 19.819 15.495 ( 0.173 -3.419 -1.409) 3.702 15.710 ( 0.468 5.474 -9.170) 10.690 16.261 ( 1.701 -9.301 3.314) 10.020 16.531 ( -0.157 -0.290 -2.370) 2.392 16.573 ( 1.890 -6.156 -7.113) 9.595 16.650 ( 0.356 0.110 0.955) 1.025 17.005 ( 0.072 -0.025 -4.881) 4.881 17.197 ( -1.638 13.379 -4.762) 14.295 17.313 ( -6.999 9.935 -2.362) 12.380 18.690 ( 3.932 -5.183 27.867) 28.617 20.213 ( 5.918 -9.197 -13.863) 17.658 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -3.358 19.537 7.027) 21.032 1.425 ( 5.807 8.551 9.248) 13.869 1.863 ( -0.994 9.785 -9.062) 13.374 2.015 ( 5.053 2.066 -3.665) 6.575 2.500 ( -0.260 11.307 8.362) 14.066 2.703 ( 4.139 3.621 -0.759) 5.551 2.754 ( -0.489 1.771 5.567) 5.862 2.985 ( 2.835 -4.791 -6.195) 8.329 3.066 ( -1.231 1.298 0.332) 1.819 3.180 ( -4.460 -2.869 -4.863) 7.195 3.420 ( 1.375 -8.996 4.770) 10.275 3.735 ( -4.144 -8.419 -5.845) 11.055 4.113 ( 0.877 3.182 2.059) 3.890 4.197 ( 1.758 3.501 0.910) 4.022 4.240 ( -1.706 -1.308 6.220) 6.581 4.359 ( -3.646 0.158 1.225) 3.849 4.556 ( 1.417 1.265 5.740) 6.046 4.711 ( -1.540 -3.886 -0.808) 4.257 5.942 ( 2.399 -8.452 -3.583) 9.489 6.081 ( -1.090 -12.921 -8.049) 15.262 6.513 ( -0.480 -3.712 2.410) 4.452 6.665 ( -0.491 -6.180 -5.203) 8.094 6.937 ( 13.573 -1.672 -3.084) 14.019 7.072 ( -14.940 -2.389 -6.871) 16.617 7.602 ( 6.466 2.429 0.739) 6.946 7.707 ( -1.844 -3.543 0.671) 4.050 7.720 ( 0.018 -1.831 -2.848) 3.386 7.797 ( 1.649 -4.682 -1.250) 5.119 8.116 ( -4.075 -8.097 3.188) 9.609 8.145 ( 2.252 -6.538 2.791) 7.457 8.982 ( -0.983 -0.937 14.678) 14.741 9.078 ( 2.591 -3.837 13.761) 14.519 9.444 ( -0.480 9.243 2.490) 9.584 9.570 ( 5.877 1.619 -3.036) 6.811 9.639 ( -5.250 1.466 -6.420) 8.422 9.824 ( -1.853 -1.889 -10.783) 11.103 10.011 ( 2.825 6.848 5.568) 9.267 10.381 ( 0.501 1.507 -4.179) 4.471 10.653 ( -1.585 6.054 2.015) 6.575 10.712 ( -1.248 2.259 0.246) 2.593 11.681 ( -2.717 1.879 2.686) 4.257 11.848 ( 3.035 -3.918 -1.899) 5.308 12.027 ( 5.411 -3.672 6.186) 9.002 12.189 ( -6.239 -6.597 0.959) 9.130 12.695 ( 1.898 10.197 -1.188) 10.440 12.898 ( -1.739 9.834 -8.203) 12.924 13.623 ( -1.667 1.196 4.715) 5.142 13.771 ( 2.119 -3.549 -2.072) 4.624 14.837 ( -5.143 6.774 10.954) 13.868 15.389 ( 2.537 -3.376 -8.682) 9.654 15.772 ( 2.161 3.350 -0.819) 4.070 16.078 ( -2.465 -10.108 2.300) 10.656 16.335 ( 0.126 -5.956 -8.979) 10.775 16.506 ( 2.809 -7.298 1.824) 8.030 16.585 ( -7.275 1.981 -1.130) 7.624 16.883 ( 5.316 -2.804 -8.783) 10.642 17.457 ( 2.005 14.196 5.805) 15.468 17.671 ( -1.649 21.204 -3.820) 21.609 18.907 ( 1.254 -6.687 24.615) 25.538 19.820 ( -0.891 -14.891 -16.664) 22.365 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 4.794 18.660 5.503) 20.037 1.632 ( 11.507 4.225 -1.319) 12.329 1.751 ( -3.553 8.642 -1.853) 9.526 2.080 ( 9.330 3.994 -7.261) 12.479 2.468 ( -11.657 6.338 -0.195) 13.270 2.736 ( -4.089 -4.563 1.814) 6.390 2.797 ( 4.741 3.269 2.106) 6.132 2.897 ( -2.402 -7.380 -3.827) 8.653 3.026 ( -4.796 3.671 -2.064) 6.383 3.169 ( 2.683 4.803 3.668) 6.613 3.522 ( 1.464 -8.980 9.126) 12.887 3.573 ( -5.160 -9.232 -7.520) 12.978 4.069 ( -7.483 2.168 -0.233) 7.794 4.168 ( -3.380 5.836 0.092) 6.745 4.313 ( 1.771 -1.617 6.798) 7.208 4.383 ( 3.103 0.893 1.091) 3.409 4.627 ( -0.274 0.990 3.695) 3.835 4.680 ( 0.093 -3.544 -1.340) 3.790 5.877 ( -7.320 -8.344 -0.661) 11.120 5.948 ( -4.324 -10.965 -6.270) 13.350 6.503 ( -1.521 -3.918 1.540) 4.476 6.610 ( -4.992 1.878 -4.265) 6.829 6.782 ( -5.729 -6.761 -4.144) 9.783 7.146 ( 8.699 -7.522 3.142) 11.922 7.473 ( -8.838 0.649 -2.385) 9.177 7.787 ( 3.257 -8.181 -1.642) 8.957 7.821 ( 5.438 -0.133 -2.398) 5.945 7.855 ( 11.014 2.955 0.472) 11.413 8.059 ( -4.471 -4.840 1.576) 6.775 8.241 ( 5.606 -9.478 1.888) 11.172 9.125 ( -1.019 -1.568 11.921) 12.067 9.223 ( -2.637 -1.922 6.444) 7.223 9.457 ( 1.666 2.013 -1.426) 2.977 9.552 ( 4.448 3.652 -5.051) 7.657 9.585 ( 1.162 3.187 -3.776) 5.076 9.731 ( 4.367 -1.987 -3.498) 5.938 10.161 ( 1.382 6.151 6.555) 9.095 10.265 ( -2.736 5.015 -8.032) 9.857 10.676 ( 1.413 4.312 2.198) 5.042 10.752 ( 4.263 2.012 1.405) 4.919 11.659 ( -3.858 -2.391 3.715) 5.865 11.841 ( 0.610 0.522 -4.751) 4.818 12.060 ( -8.195 -8.407 -1.629) 11.853 12.187 ( 3.446 -2.192 7.103) 8.193 12.748 ( 4.378 11.182 1.667) 12.124 12.809 ( 1.484 10.011 -6.476) 12.015 13.612 ( -5.013 2.876 2.866) 6.451 13.743 ( -2.268 -4.339 -1.453) 5.107 14.961 ( 3.249 6.695 12.000) 14.121 15.349 ( 7.105 -2.360 -10.832) 13.167 15.806 ( -2.885 -1.330 3.084) 4.427 15.995 ( -0.219 -3.200 -7.297) 7.970 16.320 ( -1.169 -7.449 5.089) 9.097 16.455 ( -1.629 -1.167 -3.842) 4.334 16.670 ( 9.459 -6.407 6.403) 13.096 16.911 ( 10.140 -3.379 -10.367) 14.890 17.503 ( -4.570 17.832 1.291) 18.453 17.596 ( -1.167 19.553 -0.600) 19.597 19.158 ( -3.763 -9.277 23.283) 25.344 19.550 ( -6.547 -13.683 -19.789) 24.934 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.521 14.815 2.296) 16.349 1.664 ( 4.993 4.255 -9.015) 11.149 1.805 ( 5.727 3.519 -0.315) 6.729 2.062 ( -5.772 3.440 -8.708) 10.999 2.312 ( -1.001 8.768 4.429) 9.874 2.671 ( -5.676 -6.603 2.255) 8.994 2.770 ( -2.119 -1.642 -4.407) 5.158 2.899 ( -4.477 6.686 -6.544) 10.371 2.949 ( -0.145 -3.460 8.403) 9.088 3.208 ( -2.815 3.780 1.984) 5.114 3.420 ( -4.258 -8.294 -5.652) 10.903 3.650 ( -0.114 -7.664 8.599) 11.519 3.940 ( -5.037 0.253 -0.403) 5.059 4.103 ( -3.123 2.108 -0.441) 3.794 4.418 ( 3.398 1.129 -2.385) 4.302 4.459 ( 3.881 2.750 6.032) 7.682 4.612 ( -1.266 -4.799 -1.141) 5.092 4.698 ( 0.964 -2.939 0.386) 3.117 5.711 ( -11.317 -6.753 0.844) 13.205 5.795 ( -8.678 -8.089 -2.449) 12.113 6.397 ( -8.283 1.714 -3.973) 9.345 6.531 ( 0.347 0.296 2.734) 2.772 6.801 ( 4.385 -6.814 2.008) 8.348 7.215 ( -3.081 -16.114 -0.158) 16.407 7.379 ( -1.149 2.397 1.460) 3.032 7.765 ( -2.372 -5.083 -3.489) 6.605 7.829 ( 0.080 -6.050 -2.242) 6.453 7.950 ( -2.803 1.608 1.339) 3.498 8.169 ( 15.493 1.867 1.851) 15.715 8.356 ( 7.029 -7.734 -1.067) 10.505 9.129 ( -3.959 0.107 -4.928) 6.322 9.203 ( -2.243 1.512 4.396) 5.162 9.468 ( 4.072 3.005 -7.898) 9.380 9.559 ( 1.148 5.834 -1.096) 6.046 9.670 ( 6.270 0.230 6.335) 8.916 9.848 ( 6.208 -2.523 1.862) 6.955 10.154 ( 4.206 3.507 -4.161) 6.878 10.198 ( -3.508 5.610 0.828) 6.668 10.775 ( 5.648 5.191 3.259) 8.335 10.842 ( 4.481 1.730 0.735) 4.859 11.611 ( -6.129 -3.908 0.038) 7.269 11.757 ( -5.525 -4.035 -2.417) 7.255 11.933 ( -2.895 -4.075 -1.413) 5.195 12.281 ( 0.396 -1.330 3.515) 3.779 12.791 ( 3.843 10.844 -4.689) 12.424 12.881 ( 6.277 12.536 4.457) 14.712 13.523 ( -7.331 2.086 0.357) 7.630 13.693 ( -2.344 -4.808 0.281) 5.357 15.149 ( 4.985 3.212 5.721) 8.240 15.415 ( 10.377 0.247 -2.253) 10.622 15.736 ( -4.619 -1.903 0.559) 5.026 15.980 ( 2.330 1.535 -0.784) 2.898 16.352 ( -1.274 -5.559 4.695) 7.387 16.435 ( 1.174 -0.723 -0.213) 1.396 16.927 ( 13.035 -7.939 -3.261) 15.606 17.003 ( 12.847 -0.877 -2.926) 13.205 17.365 ( -6.802 13.871 -3.006) 15.739 17.608 ( -1.539 18.420 3.780) 18.866 19.170 ( -10.451 -12.753 -20.710) 26.472 19.299 ( -9.018 -11.187 19.637) 24.333 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 1.808 10.381 2.967) 10.947 1.675 ( 4.737 4.697 -6.464) 9.289 1.827 ( -0.851 4.088 -4.599) 6.212 1.900 ( -0.133 3.818 -2.457) 4.542 2.413 ( 2.018 5.295 6.016) 8.264 2.606 ( -5.552 -6.687 2.502) 9.045 2.709 ( -1.322 -1.069 -1.100) 2.025 2.768 ( -2.933 8.300 -3.093) 9.330 2.990 ( -3.011 -1.249 5.014) 5.981 3.164 ( -4.421 2.138 2.353) 5.445 3.271 ( -6.303 -4.628 -6.000) 9.856 3.638 ( -6.226 -6.477 1.403) 9.093 3.967 ( 4.320 -3.279 3.775) 6.608 4.066 ( 0.188 -1.984 -2.554) 3.240 4.404 ( 2.675 1.174 -8.205) 8.710 4.513 ( 0.180 2.858 -5.060) 5.814 4.644 ( 3.326 -7.648 3.812) 9.169 4.700 ( -1.437 -5.951 1.005) 6.204 5.537 ( -10.126 -4.361 -0.272) 11.029 5.614 ( -10.924 -3.678 1.039) 11.573 6.271 ( -3.827 -0.475 -0.501) 3.888 6.586 ( 1.313 2.212 4.048) 4.796 6.902 ( 2.424 -3.218 3.730) 5.490 7.145 ( -2.076 -17.160 -1.621) 17.361 7.390 ( -1.492 0.870 3.285) 3.711 7.654 ( -5.949 -1.771 -2.751) 6.789 7.795 ( -0.140 -7.852 -2.458) 8.229 7.918 ( -2.129 -2.032 0.766) 3.041 8.330 ( 3.165 -3.675 -5.323) 7.201 8.537 ( 13.447 -0.234 3.361) 13.863 9.020 ( 0.586 1.919 -6.893) 7.179 9.195 ( -3.175 8.889 1.788) 9.607 9.398 ( 0.765 5.378 -11.604) 12.812 9.592 ( 2.487 0.521 2.151) 3.329 9.849 ( 5.144 2.043 6.598) 8.612 9.940 ( 4.918 -3.603 0.791) 6.148 10.179 ( 1.568 8.371 2.567) 8.895 10.298 ( 10.365 0.050 2.567) 10.678 10.898 ( 5.100 2.620 2.161) 6.127 10.902 ( 3.000 3.570 -1.916) 5.042 11.438 ( -10.078 -1.603 -3.866) 10.913 11.648 ( -6.008 -11.617 -0.165) 13.080 11.917 ( 0.642 1.045 0.084) 1.229 12.286 ( -2.204 0.005 0.733) 2.322 12.814 ( 4.300 12.104 -3.541) 13.325 13.026 ( 4.951 10.727 3.043) 12.200 13.403 ( -5.995 -0.378 -0.357) 6.017 13.672 ( -1.378 -3.779 0.936) 4.130 15.231 ( 3.831 0.678 -1.889) 4.325 15.629 ( 8.872 3.698 8.567) 12.875 15.713 ( -2.568 -3.955 5.657) 7.365 16.049 ( 5.962 4.543 1.564) 7.657 16.390 ( -2.064 -2.226 5.929) 6.661 16.459 ( 3.163 1.842 -2.038) 4.189 17.027 ( 13.959 -4.801 -14.766) 20.879 17.049 ( -5.533 13.637 -3.755) 15.188 17.362 ( 2.226 3.752 2.528) 5.042 17.682 ( 6.762 6.267 7.643) 11.976 18.745 ( -11.184 -12.763 -21.074) 27.057 19.309 ( -13.906 -12.638 16.037) 24.704 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -6.282 4.569 -1.339) 7.882 1.690 ( 5.678 6.596 8.555) 12.204 1.865 ( -1.983 3.462 2.431) 4.671 1.881 ( 11.066 5.739 -6.816) 14.208 2.468 ( -3.538 -4.393 2.913) 6.349 2.558 ( -0.501 0.387 1.167) 1.328 2.696 ( -1.094 0.003 -0.297) 1.133 2.710 ( -3.582 6.680 4.169) 8.651 3.013 ( -8.040 1.569 -1.231) 8.283 3.089 ( 2.187 -2.844 5.237) 6.348 3.145 ( -3.221 4.085 -0.832) 5.268 3.555 ( -4.484 -7.976 0.497) 9.163 4.035 ( 1.738 -3.263 -5.694) 6.789 4.078 ( 4.340 -4.898 0.373) 6.555 4.316 ( 0.716 1.044 -12.544) 12.608 4.430 ( -0.351 0.012 -8.762) 8.769 4.665 ( -1.355 -9.976 -0.818) 10.101 4.726 ( 0.054 -7.598 2.850) 8.115 5.370 ( -6.981 -0.304 -2.130) 7.305 5.482 ( -8.502 -1.486 3.651) 9.371 6.252 ( -0.244 -2.952 3.152) 4.326 6.651 ( 0.766 2.363 3.785) 4.527 6.929 ( -1.927 0.213 0.671) 2.052 7.119 ( -0.448 -18.178 -1.034) 18.213 7.412 ( -0.463 3.536 3.359) 4.900 7.530 ( -5.279 2.511 -1.233) 5.974 7.800 ( 2.749 -9.466 0.816) 9.891 7.894 ( -2.061 -5.451 1.169) 5.944 8.269 ( -0.254 -4.483 -7.533) 8.769 8.687 ( 3.444 -5.799 -4.703) 8.222 9.015 ( 2.463 7.526 -2.431) 8.284 9.182 ( 2.252 7.783 -6.064) 10.120 9.268 ( -0.500 10.916 -0.532) 10.940 9.693 ( 3.960 -2.134 4.575) 6.416 9.975 ( 5.384 7.460 2.061) 9.428 10.063 ( 2.423 -5.595 8.115) 10.151 10.283 ( 4.795 10.729 4.180) 12.473 10.486 ( 8.594 -1.834 0.316) 8.793 10.881 ( -0.551 5.063 -5.730) 7.666 10.994 ( 3.849 -2.335 0.693) 4.555 11.247 ( -7.759 -1.427 -0.908) 7.941 11.546 ( -4.929 -11.046 -1.255) 12.161 11.931 ( 0.662 2.503 0.164) 2.595 12.236 ( -3.576 2.153 -0.868) 4.263 12.856 ( 4.476 11.601 -1.775) 12.560 13.098 ( 2.015 8.090 -0.272) 8.342 13.337 ( -1.982 -2.694 0.570) 3.393 13.643 ( -2.992 -1.829 -0.714) 3.579 15.290 ( 5.446 2.607 0.127) 6.039 15.730 ( -4.658 -3.631 10.267) 11.845 15.884 ( 6.675 0.537 9.881) 11.937 16.199 ( 6.516 1.645 4.485) 8.080 16.347 ( -8.067 6.825 0.440) 10.576 16.543 ( 8.497 6.619 0.740) 10.796 16.899 ( -2.434 10.556 -6.039) 12.403 17.108 ( 12.233 -5.949 -11.932) 18.094 17.315 ( -5.527 13.788 -2.561) 15.074 17.925 ( 4.688 -2.136 3.082) 6.003 18.408 ( 0.639 -17.479 -12.616) 21.566 19.198 ( -17.535 -13.511 11.216) 24.815 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -0.135 2.392 1.246) 2.701 1.723 ( -5.209 -2.430 -1.904) 6.055 2.015 ( 8.346 6.380 12.844) 16.593 2.063 ( 12.727 8.429 0.174) 15.267 2.418 ( -0.869 -1.306 -0.891) 1.804 2.509 ( -8.961 -1.283 1.362) 9.154 2.700 ( -0.730 3.364 5.395) 6.400 2.779 ( 4.878 -0.310 2.869) 5.668 2.823 ( -7.226 7.251 -2.174) 10.466 3.068 ( -2.423 1.214 -3.199) 4.192 3.292 ( 6.145 -0.504 9.016) 10.923 3.489 ( -4.832 -8.174 1.536) 9.619 3.996 ( 2.455 -1.088 -9.552) 9.923 4.055 ( -1.717 -3.648 -6.399) 7.563 4.208 ( 0.483 -3.253 -7.115) 7.838 4.295 ( -2.118 0.908 -11.636) 11.862 4.629 ( -2.359 -10.268 0.336) 10.541 4.731 ( 0.371 -10.283 -1.395) 10.384 5.304 ( 1.046 1.058 0.047) 1.489 5.392 ( -6.066 -0.053 1.708) 6.302 6.334 ( 2.743 -5.305 7.471) 9.565 6.683 ( -1.291 -0.976 2.363) 2.864 6.888 ( -1.466 2.813 -1.162) 3.378 7.054 ( -4.145 -13.354 -4.730) 14.761 7.451 ( 3.943 6.378 -0.025) 7.498 7.474 ( -3.741 3.287 3.574) 6.130 7.874 ( -1.678 -7.061 1.134) 7.346 7.914 ( 5.458 -12.019 6.021) 14.509 8.178 ( -0.637 -5.682 -6.908) 8.967 8.616 ( -0.447 -8.681 -9.617) 12.963 8.994 ( -0.049 8.122 -3.750) 8.946 9.042 ( -3.478 6.810 -7.707) 10.857 9.470 ( 9.357 12.786 9.369) 18.406 9.794 ( 1.240 1.489 4.759) 5.138 10.082 ( 3.239 7.850 3.125) 9.049 10.171 ( -1.239 -3.088 8.858) 9.462 10.393 ( 3.559 10.883 2.282) 11.676 10.551 ( 1.194 -1.355 -4.409) 4.765 10.788 ( -1.563 2.905 -4.474) 5.558 10.960 ( -4.952 -3.934 -3.967) 7.466 11.257 ( 5.709 -4.019 4.096) 8.095 11.462 ( -3.512 -10.253 -1.465) 10.936 11.948 ( 1.123 4.361 0.866) 4.586 12.152 ( -3.952 4.423 -2.671) 6.505 12.926 ( 4.680 9.134 0.314) 10.268 13.097 ( -0.356 8.263 -2.532) 8.650 13.346 ( 1.461 -3.623 1.774) 4.291 13.549 ( -5.649 -1.362 -2.720) 6.416 15.425 ( 7.548 4.022 4.269) 9.559 15.774 ( -2.925 -5.772 8.039) 10.319 16.039 ( -3.267 -0.417 8.713) 9.314 16.144 ( -10.989 11.840 -0.425) 16.160 16.378 ( 4.951 -1.615 8.763) 10.194 16.744 ( 12.972 14.279 0.401) 19.296 16.838 ( 0.462 5.830 -2.657) 6.423 17.114 ( -1.781 6.292 -8.272) 10.544 17.217 ( 6.322 0.512 -9.358) 11.305 17.740 ( -10.469 -1.832 -13.231) 16.971 18.609 ( 18.546 -18.551 5.254) 26.753 18.987 ( -18.825 -13.750 6.070) 24.089 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.542 -0.415 0.329) 2.597 1.706 ( 9.145 0.535 -1.319) 9.255 2.158 ( -5.043 6.461 1.038) 8.262 2.260 ( 7.937 6.613 0.500) 10.343 2.354 ( -7.376 -0.381 1.979) 7.646 2.477 ( 6.059 -2.017 3.313) 7.194 2.760 ( 2.106 11.686 5.634) 13.143 2.775 ( -2.235 1.589 2.442) 3.672 2.905 ( 5.910 -1.876 2.609) 6.727 2.990 ( -0.911 3.192 -4.772) 5.813 3.357 ( -4.942 -7.540 -0.366) 9.022 3.497 ( 1.529 -2.339 4.829) 5.579 3.879 ( 0.642 0.350 -7.613) 7.648 4.046 ( 1.071 -4.097 1.605) 4.529 4.101 ( -5.149 -4.905 -4.294) 8.307 4.122 ( -0.136 1.394 -13.715) 13.786 4.617 ( -0.301 -8.383 2.328) 8.706 4.731 ( 2.731 -10.724 -3.157) 11.508 5.324 ( -2.070 1.260 -0.394) 2.455 5.394 ( 8.034 -0.891 1.052) 8.151 6.495 ( 3.332 -7.793 9.914) 13.043 6.657 ( -1.979 -5.324 -0.553) 5.707 6.871 ( -2.478 -2.498 -1.596) 3.864 6.922 ( -0.087 1.173 -4.177) 4.339 7.452 ( -2.876 3.056 2.071) 4.679 7.549 ( 6.757 4.360 0.235) 8.045 7.860 ( -2.313 -8.816 2.132) 9.360 8.074 ( 6.229 -5.333 -5.472) 9.858 8.117 ( -0.709 -13.742 7.689) 15.762 8.482 ( -1.032 -11.520 -11.822) 16.539 8.908 ( -4.629 8.656 -2.835) 10.218 8.967 ( 0.673 7.787 -3.034) 8.384 9.674 ( 1.348 10.017 7.837) 12.790 9.811 ( -2.711 7.315 -2.013) 8.056 10.149 ( -0.182 8.509 6.528) 10.726 10.205 ( -4.906 1.737 5.675) 7.700 10.442 ( 0.836 6.831 -2.910) 7.472 10.482 ( -0.039 0.565 -2.163) 2.236 10.753 ( -1.806 -2.410 0.540) 3.059 10.838 ( -3.083 -0.361 -2.731) 4.134 11.372 ( -1.729 -8.575 -1.435) 8.864 11.438 ( 7.404 -9.292 0.882) 11.914 11.997 ( 1.536 5.831 2.869) 6.678 12.055 ( -2.549 5.533 -3.469) 7.011 13.009 ( 3.398 7.036 1.112) 7.893 13.024 ( -3.174 9.961 -3.898) 11.157 13.394 ( -3.540 -1.420 0.936) 3.928 13.449 ( 2.381 -4.365 -0.216) 4.977 15.615 ( 5.836 2.292 6.205) 8.822 15.732 ( -5.103 2.862 -6.853) 9.011 15.944 ( -11.475 0.998 14.671) 18.652 16.124 ( -2.698 5.130 7.034) 9.114 16.552 ( 1.942 -3.696 8.901) 9.832 16.750 ( -4.517 7.169 -3.346) 9.110 16.898 ( -2.076 5.176 -10.259) 11.677 17.028 ( 10.749 12.647 -5.335) 17.434 17.265 ( 5.277 -2.527 0.234) 5.855 17.476 ( 0.306 2.149 -13.386) 13.560 18.671 ( -20.783 -13.982 3.329) 25.269 19.033 ( 20.579 -17.372 3.949) 27.219 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.109 2.748 -1.326) 3.053 1.826 ( -0.257 10.381 -2.279) 10.632 1.973 ( -4.467 4.412 -6.928) 9.350 2.265 ( -0.093 2.692 -0.390) 2.722 2.416 ( 4.178 0.722 0.237) 4.247 2.643 ( 7.984 -2.490 3.079) 8.912 2.713 ( -4.933 -4.167 -1.315) 6.590 2.804 ( -2.726 12.417 0.544) 12.724 2.981 ( 2.917 5.651 0.053) 6.359 3.023 ( 5.572 -1.924 1.047) 5.987 3.245 ( -6.649 -3.348 1.345) 7.565 3.601 ( 5.679 -5.347 3.249) 8.449 3.818 ( -1.916 0.775 -4.888) 5.307 3.981 ( -1.342 -2.021 -3.605) 4.345 4.074 ( 4.055 -1.798 1.466) 4.672 4.094 ( 0.357 -4.624 2.606) 5.320 4.670 ( 2.311 -9.758 2.973) 10.460 4.731 ( 0.491 -6.398 -2.343) 6.831 5.339 ( 5.471 2.033 -0.956) 5.915 5.574 ( 12.277 -3.437 0.117) 12.750 6.510 ( -3.832 -7.697 -4.046) 9.502 6.712 ( 2.594 -7.471 0.178) 7.910 6.824 ( 2.605 -3.916 5.501) 7.237 6.965 ( 1.662 1.188 3.150) 3.755 7.434 ( 0.122 3.284 -0.512) 3.326 7.652 ( 5.974 2.993 -2.040) 6.987 7.843 ( -1.644 -8.423 0.879) 8.627 8.040 ( 0.915 -5.346 -3.484) 6.446 8.263 ( 1.028 -14.477 9.421) 17.304 8.326 ( -1.450 -12.536 -11.896) 17.343 8.809 ( -5.143 9.377 0.231) 10.697 8.972 ( 0.622 6.573 2.116) 6.933 9.583 ( -10.752 9.607 -7.902) 16.442 9.732 ( -5.700 7.200 2.768) 9.591 10.125 ( -7.459 9.709 -0.162) 12.245 10.251 ( 0.089 7.117 7.729) 10.507 10.385 ( -1.256 0.647 -4.133) 4.368 10.486 ( 0.342 2.666 -2.435) 3.627 10.704 ( -3.067 0.675 1.157) 3.347 10.828 ( -1.883 -3.575 5.413) 6.755 11.317 ( 0.863 -5.737 -3.492) 6.772 11.570 ( 7.050 -9.661 -1.412) 12.043 11.955 ( -2.570 4.406 -1.794) 5.407 12.108 ( 3.677 4.279 4.335) 7.115 12.904 ( -4.625 12.788 -4.120) 14.209 13.067 ( 1.356 6.426 1.181) 6.673 13.329 ( -1.581 -6.630 0.013) 6.816 13.551 ( 4.543 -1.463 2.856) 5.562 15.461 ( -11.257 8.594 -6.426) 15.552 15.795 ( 1.259 -1.467 5.674) 5.995 15.966 ( -6.668 -4.590 12.488) 14.882 16.188 ( -0.486 9.109 9.902) 13.463 16.505 ( -8.315 3.090 -6.124) 10.779 16.673 ( -3.454 0.086 -7.224) 8.008 16.702 ( -2.010 -4.583 -4.346) 6.628 17.093 ( 3.959 6.526 -3.924) 8.583 17.433 ( 12.277 14.196 -9.124) 20.869 17.496 ( 9.538 -0.422 8.884) 13.042 18.326 ( -21.913 -12.703 -0.297) 25.330 19.411 ( 20.018 -17.395 1.651) 26.571 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -5.327 11.279 0.784) 12.498 1.593 ( -13.786 14.494 -3.580) 20.321 1.993 ( 8.287 3.875 -6.577) 11.268 2.192 ( 0.525 4.045 -12.839) 13.471 2.444 ( -3.264 -2.189 4.200) 5.753 2.623 ( -6.123 1.023 1.968) 6.513 2.732 ( -2.596 12.602 -2.214) 13.055 2.784 ( 4.485 -1.734 0.283) 4.817 3.083 ( 8.031 -0.991 2.749) 8.546 3.123 ( 4.827 0.322 1.760) 5.148 3.216 ( 1.550 -3.010 0.270) 3.397 3.670 ( 3.205 -7.468 -4.317) 9.203 3.787 ( 0.323 -1.399 4.532) 4.754 4.034 ( 5.518 -0.021 4.164) 6.913 4.115 ( -0.023 -2.572 1.134) 2.811 4.187 ( 2.733 -3.741 5.608) 7.274 4.671 ( -2.797 -6.429 -2.100) 7.319 4.750 ( 0.767 -5.641 3.154) 6.508 5.487 ( 12.599 0.936 -0.585) 12.647 5.794 ( 15.127 -6.385 -2.313) 16.582 6.400 ( -1.188 -7.183 -5.999) 9.434 6.723 ( 2.088 -1.286 -1.263) 2.759 6.966 ( 2.635 -2.851 1.462) 4.148 7.036 ( 2.099 -13.029 7.362) 15.111 7.456 ( 2.978 5.303 -0.228) 6.087 7.678 ( 1.889 0.389 -5.241) 5.585 7.839 ( 2.061 -6.968 -1.895) 7.510 8.034 ( 0.376 -6.594 -0.952) 6.673 8.184 ( -2.596 -10.515 -5.375) 12.092 8.330 ( -5.151 -12.235 7.863) 15.429 8.759 ( -5.096 9.357 6.391) 12.425 8.999 ( -3.766 4.173 3.111) 6.425 9.322 ( -6.787 11.067 -6.222) 14.396 9.638 ( -6.712 4.879 0.482) 8.312 9.974 ( -7.876 11.631 -2.485) 14.265 10.261 ( -3.836 -1.009 -1.903) 4.400 10.301 ( -3.041 5.926 -2.964) 7.290 10.420 ( -3.256 0.557 -4.228) 5.365 10.711 ( -0.713 4.957 4.393) 6.662 10.847 ( -4.346 -3.988 6.213) 8.567 11.351 ( 5.910 -1.422 -0.675) 6.116 11.652 ( 6.217 -7.971 -2.167) 10.339 11.914 ( -1.778 0.129 0.005) 1.782 12.213 ( 2.655 0.947 4.085) 4.963 12.796 ( -3.166 13.769 -3.113) 14.467 13.092 ( 0.649 6.842 0.583) 6.897 13.350 ( 2.814 -6.964 1.370) 7.635 13.636 ( 2.172 -1.501 2.040) 3.337 15.224 ( -10.941 8.763 -2.301) 14.205 15.765 ( -10.912 -1.493 3.071) 11.434 15.959 ( -5.523 -6.695 4.863) 9.949 16.254 ( -4.383 12.221 -0.994) 13.021 16.355 ( 0.250 -4.649 -0.400) 4.673 16.558 ( 0.422 1.608 0.340) 1.696 16.650 ( 0.399 -4.118 -6.975) 8.110 17.104 ( 2.336 5.421 -3.630) 6.930 17.521 ( 11.171 10.029 -9.450) 17.739 17.818 ( 8.992 8.846 13.047) 18.148 17.959 ( -19.691 -12.964 2.252) 23.683 19.719 ( 16.898 -17.145 -2.437) 24.196 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -9.994 18.662 1.410) 21.217 1.418 ( -11.638 11.463 5.590) 17.266 1.976 ( 0.514 2.068 -6.891) 7.213 2.105 ( 5.890 6.857 -14.108) 16.755 2.463 ( -4.213 12.969 10.342) 17.114 2.519 ( -6.868 6.970 4.259) 10.672 2.695 ( 1.670 0.352 -3.904) 4.261 2.846 ( 4.843 -1.894 -2.090) 5.605 3.180 ( 2.636 3.400 -3.924) 5.822 3.208 ( 4.345 -8.063 1.644) 9.305 3.319 ( 7.585 -3.945 -0.926) 8.599 3.709 ( 4.456 -7.432 1.267) 8.758 3.899 ( 2.718 -2.972 9.371) 10.200 4.100 ( 2.243 1.022 -3.840) 4.563 4.182 ( 2.485 -1.401 3.663) 4.643 4.284 ( 1.271 -3.032 7.639) 8.316 4.587 ( -5.313 -1.100 -0.255) 5.432 4.770 ( -1.250 -6.618 1.066) 6.818 5.709 ( 14.093 -2.599 -1.655) 14.426 6.008 ( 14.835 -10.336 -5.171) 18.805 6.360 ( 2.542 -4.884 -2.632) 6.103 6.747 ( 4.133 1.041 -4.640) 6.301 6.946 ( -3.349 -6.566 -1.707) 7.566 7.167 ( 5.870 -13.602 2.490) 15.022 7.516 ( 3.603 3.993 0.427) 5.395 7.621 ( -1.515 -1.164 -4.523) 4.910 7.840 ( 1.149 -8.740 -4.094) 9.719 8.016 ( 0.452 -4.513 -1.135) 4.675 8.145 ( -4.073 -8.491 6.022) 11.178 8.250 ( -12.014 -7.158 2.361) 14.183 8.758 ( -4.718 4.845 7.664) 10.221 8.927 ( -7.366 5.927 7.821) 12.270 9.269 ( 1.924 9.281 1.035) 9.534 9.553 ( -4.079 7.228 -0.628) 8.323 9.852 ( -3.638 6.398 -0.362) 7.369 10.117 ( -3.835 -2.892 -9.530) 10.672 10.213 ( -6.188 2.410 -1.537) 6.816 10.319 ( -0.825 2.520 -4.702) 5.398 10.736 ( -2.407 7.141 3.728) 8.408 10.816 ( -5.267 -1.361 2.919) 6.174 11.481 ( 7.522 0.183 2.764) 8.016 11.751 ( 6.952 -7.727 0.372) 10.401 11.877 ( -3.044 -1.593 0.356) 3.454 12.272 ( -0.242 -2.562 2.407) 3.524 12.730 ( -1.208 12.569 -2.349) 12.843 13.091 ( -0.248 9.197 -2.380) 9.503 13.447 ( 5.385 -5.425 3.238) 8.301 13.675 ( 1.340 -2.230 0.622) 2.675 15.042 ( -11.764 6.918 2.968) 13.966 15.566 ( -10.948 -0.618 -1.133) 11.024 15.916 ( -4.053 -3.530 0.685) 5.418 16.117 ( -3.348 2.790 -6.316) 7.674 16.387 ( 0.008 -8.021 3.623) 8.801 16.571 ( 2.604 -4.623 -11.308) 12.491 16.654 ( 2.422 6.841 5.846) 9.319 17.090 ( 0.761 3.652 -4.124) 5.561 17.489 ( -5.913 0.338 -9.547) 11.235 17.697 ( -2.190 12.013 0.273) 12.214 18.207 ( 7.910 -0.391 21.643) 23.047 19.907 ( 11.900 -16.682 -7.323) 21.761 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -4.209 19.381 5.564) 20.598 1.299 ( -9.325 10.466 10.481) 17.502 1.936 ( 3.043 5.734 -6.597) 9.255 2.029 ( 0.490 3.743 -7.326) 8.241 2.434 ( -5.312 21.508 8.606) 23.767 2.617 ( 5.758 5.995 2.867) 8.793 2.693 ( 1.320 -2.735 0.520) 3.081 2.917 ( 5.777 -1.789 -0.969) 6.125 3.145 ( -0.300 -2.109 -5.726) 6.109 3.268 ( 0.056 -5.318 -0.538) 5.345 3.368 ( 2.726 -7.113 -2.084) 7.897 3.796 ( 1.237 -7.501 1.145) 7.688 4.046 ( 2.612 -0.787 6.240) 6.810 4.109 ( 4.409 3.119 -1.602) 5.633 4.218 ( -0.540 -2.831 2.343) 3.715 4.393 ( -0.732 1.818 6.609) 6.894 4.505 ( -3.896 -0.252 2.066) 4.417 4.745 ( -1.853 -5.567 -0.229) 5.871 5.882 ( 9.692 -6.771 -3.796) 12.418 6.129 ( 6.865 -13.765 -7.430) 17.082 6.430 ( 5.549 -2.762 2.025) 6.521 6.747 ( 2.912 -0.152 -7.618) 8.157 6.852 ( 0.551 -6.024 -5.844) 8.411 7.265 ( 1.653 -8.890 -1.507) 9.167 7.513 ( 1.245 1.232 -5.233) 5.519 7.618 ( 2.143 -3.027 4.350) 5.716 7.799 ( -1.658 -4.381 -0.949) 4.779 7.959 ( -13.137 -1.613 -1.499) 13.320 8.080 ( 0.150 -5.657 0.806) 5.716 8.148 ( -3.885 -8.501 4.442) 10.348 8.832 ( 0.747 0.362 11.453) 11.483 8.939 ( -5.452 -0.083 13.344) 14.415 9.403 ( 8.924 11.123 4.049) 14.824 9.473 ( -4.508 9.195 1.646) 10.372 9.791 ( -4.347 0.176 -3.119) 5.353 9.957 ( -0.975 -2.377 -10.288) 10.604 10.059 ( -6.816 1.345 -4.005) 8.019 10.332 ( 5.252 2.156 -0.807) 5.735 10.706 ( -4.654 7.651 1.197) 9.035 10.752 ( -4.247 0.881 1.182) 4.495 11.634 ( 5.197 1.512 3.463) 6.425 11.832 ( -1.964 -3.255 0.592) 3.847 11.882 ( 6.276 -6.623 2.702) 9.516 12.259 ( -3.604 -4.502 1.308) 5.913 12.698 ( 0.260 10.757 -2.034) 10.951 13.020 ( -2.025 10.287 -6.540) 12.357 13.566 ( 2.176 -2.198 4.918) 5.810 13.721 ( 4.640 -2.842 -1.001) 5.533 14.891 ( -12.524 5.953 7.388) 15.712 15.438 ( -2.295 -2.346 -2.133) 3.914 15.818 ( -1.605 4.436 -7.362) 8.744 16.061 ( -1.825 -8.011 3.412) 8.897 16.422 ( 0.159 -8.334 0.114) 8.336 16.485 ( 2.417 -4.485 -9.865) 11.103 16.695 ( -2.191 3.856 0.103) 4.436 16.979 ( -5.394 -1.758 -7.495) 9.400 17.372 ( 0.813 7.826 1.499) 8.009 17.706 ( 1.399 19.650 -2.122) 19.814 18.577 ( 5.278 -3.544 23.957) 24.786 19.944 ( 5.637 -15.931 -12.300) 20.901 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 3.285 13.208 5.622) 14.726 1.672 ( 2.533 14.547 0.882) 14.792 2.062 ( 0.782 3.523 1.125) 3.779 2.128 ( 1.408 13.251 -6.758) 14.941 2.459 ( -1.481 -9.625 2.597) 10.079 2.672 ( 2.015 -4.517 -6.014) 7.787 2.789 ( 1.542 -4.553 -4.723) 6.739 2.917 ( -5.394 -1.011 -5.793) 7.980 3.133 ( -2.556 -3.662 1.039) 4.585 3.226 ( 3.785 12.137 4.084) 13.353 3.256 ( 0.889 -5.102 4.661) 6.967 3.585 ( -2.983 -5.180 -5.069) 7.838 4.147 ( 0.728 1.334 4.789) 5.024 4.241 ( -2.956 1.136 2.099) 3.799 4.260 ( 3.755 2.721 6.839) 8.263 4.382 ( -3.208 0.722 -0.390) 3.312 4.592 ( 1.328 1.965 6.141) 6.583 4.653 ( -2.001 -1.699 4.250) 4.996 5.759 ( 2.127 -7.483 -5.609) 9.591 5.816 ( 0.020 -10.738 -7.177) 12.915 6.428 ( -0.565 -3.747 1.999) 4.284 6.514 ( -0.734 -7.231 -3.322) 7.991 6.927 ( 7.326 0.574 -3.511) 8.144 7.015 ( -7.153 -2.843 -5.443) 9.427 7.546 ( 3.920 -2.738 1.222) 4.935 7.619 ( -3.830 -4.993 -2.178) 6.659 7.734 ( 1.988 2.881 1.008) 3.642 7.794 ( 1.491 0.482 -1.092) 1.910 7.964 ( -2.605 -5.366 2.911) 6.638 8.008 ( 1.876 -6.085 1.794) 6.615 8.966 ( -1.596 -0.245 13.506) 13.602 9.015 ( 1.270 -2.295 14.610) 14.843 9.574 ( -0.236 0.337 -9.201) 9.210 9.581 ( -0.593 2.468 -4.182) 4.892 9.685 ( -0.642 3.637 -5.259) 6.426 9.802 ( -1.315 -0.904 -6.075) 6.281 10.167 ( 3.965 7.206 5.758) 10.040 10.373 ( 1.688 -2.069 -0.962) 2.838 10.744 ( -1.523 2.366 0.274) 2.827 10.756 ( -1.754 1.808 -0.316) 2.538 11.744 ( -4.644 4.121 2.273) 6.612 11.813 ( 5.329 0.657 -0.456) 5.388 11.937 ( 7.625 -4.506 4.696) 10.025 12.035 ( -7.274 -7.669 -0.056) 10.570 12.921 ( 0.731 10.233 -0.623) 10.278 13.069 ( -2.123 5.150 -6.265) 8.383 13.641 ( 0.610 0.656 4.950) 5.031 13.708 ( -0.252 -2.424 1.447) 2.834 15.001 ( -1.869 8.284 5.473) 10.103 15.301 ( 0.446 -5.216 -4.777) 7.087 15.873 ( -0.309 5.340 -5.059) 7.363 15.937 ( -1.508 -1.874 8.386) 8.724 16.178 ( -0.221 -7.974 -8.303) 11.514 16.317 ( 2.448 -9.942 -2.726) 10.596 16.654 ( -5.448 4.067 -2.768) 7.341 16.821 ( 2.911 -3.283 -7.508) 8.696 17.757 ( 3.246 13.733 10.441) 17.554 18.022 ( 0.003 9.029 1.401) 9.137 18.842 ( 0.728 3.304 12.328) 12.784 19.467 ( -1.186 -18.248 -12.980) 22.425 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 5.271 16.500 0.349) 17.324 1.774 ( 7.709 8.304 -1.771) 11.469 1.964 ( -4.952 10.402 -2.665) 11.825 2.192 ( 6.707 6.830 -3.107) 10.064 2.415 ( -6.854 -8.654 1.519) 11.143 2.655 ( 2.401 -11.979 -6.630) 13.901 2.714 ( -7.970 0.386 -2.915) 8.495 2.778 ( -2.681 -3.993 3.475) 5.933 3.136 ( -1.330 2.083 3.478) 4.267 3.256 ( 0.490 -2.137 -0.545) 2.259 3.389 ( 2.612 0.703 8.727) 9.136 3.448 ( -3.784 -1.106 -7.420) 8.402 4.123 ( -8.707 3.177 -0.234) 9.271 4.244 ( 0.565 -1.675 4.889) 5.199 4.299 ( -2.563 4.320 1.147) 5.152 4.411 ( 3.890 0.936 1.044) 4.135 4.647 ( -2.959 0.120 3.046) 4.248 4.653 ( -1.520 0.745 4.171) 4.501 5.685 ( -4.628 -8.256 -3.498) 10.091 5.717 ( -2.959 -9.727 -4.974) 11.318 6.426 ( -0.003 -2.707 1.045) 2.902 6.543 ( 5.633 -6.712 -0.910) 8.810 6.757 ( -13.067 2.952 -4.412) 14.104 6.970 ( -2.549 -7.504 0.644) 7.952 7.481 ( -4.777 0.534 -1.161) 4.945 7.621 ( 2.096 -6.952 0.396) 7.272 7.827 ( 1.895 0.887 -2.040) 2.922 7.916 ( 14.425 0.502 -0.120) 14.434 7.958 ( -1.004 -2.543 2.057) 3.421 8.083 ( 7.009 -5.712 0.571) 9.060 9.103 ( -0.551 0.097 12.339) 12.352 9.178 ( -1.280 -2.214 8.869) 9.231 9.472 ( 2.084 -0.173 -6.275) 6.614 9.527 ( 5.195 -2.902 -10.311) 11.905 9.689 ( 1.612 4.939 1.368) 5.373 9.754 ( 3.292 1.986 -2.399) 4.531 10.269 ( 0.173 4.158 1.503) 4.424 10.338 ( -0.807 1.724 -4.384) 4.779 10.748 ( 2.097 2.493 1.780) 3.713 10.783 ( 3.200 0.788 1.452) 3.601 11.654 ( -7.153 1.926 1.463) 7.551 11.856 ( -7.201 -3.348 -1.022) 8.007 11.916 ( 1.696 -0.709 -1.847) 2.606 12.111 ( 6.116 -4.867 3.866) 8.720 12.965 ( 3.526 8.593 1.503) 9.409 13.004 ( 2.018 7.283 -3.574) 8.360 13.651 ( -4.384 0.776 1.668) 4.754 13.673 ( -4.698 -2.086 1.311) 5.305 15.099 ( 4.280 5.905 5.985) 9.435 15.287 ( 5.204 -3.581 -5.207) 8.186 15.819 ( -2.206 3.156 -0.726) 3.918 15.996 ( 4.071 3.420 -3.937) 6.616 16.146 ( 0.159 -8.692 5.128) 10.093 16.362 ( 6.644 -9.121 -3.878) 11.932 16.605 ( 0.687 2.229 3.325) 4.061 16.821 ( 6.238 -5.212 -6.794) 10.594 17.875 ( -2.179 16.006 5.662) 17.118 17.973 ( -2.361 14.659 -3.182) 15.185 18.974 ( -4.287 -6.757 15.615) 17.546 19.237 ( -7.103 -15.259 -14.964) 22.521 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 3.208 11.135 -4.835) 12.556 1.813 ( 3.036 8.218 -6.175) 10.718 1.940 ( 2.125 8.761 1.820) 9.197 2.137 ( -6.543 3.320 -5.874) 9.398 2.405 ( 1.919 -2.483 5.492) 6.325 2.576 ( -6.576 1.173 0.958) 6.749 2.609 ( 0.201 -9.471 -3.229) 10.009 2.806 ( -3.435 -6.415 6.523) 9.772 3.119 ( -2.918 3.034 -0.616) 4.254 3.260 ( -0.124 2.076 0.361) 2.111 3.298 ( -3.928 -1.608 -5.845) 7.224 3.511 ( -0.362 -4.416 6.558) 7.915 3.986 ( -6.731 4.856 1.207) 8.387 4.171 ( -5.550 3.742 -2.169) 7.036 4.364 ( 0.700 -5.201 5.006) 7.253 4.456 ( 3.669 -1.220 -4.289) 5.774 4.613 ( -1.728 1.786 -0.992) 2.676 4.654 ( -2.609 -1.227 1.648) 3.321 5.558 ( -6.919 -6.509 -0.824) 9.535 5.608 ( -6.130 -8.552 -0.731) 10.547 6.406 ( -4.948 0.879 -2.702) 5.706 6.576 ( -2.062 3.271 2.811) 4.781 6.672 ( 7.449 -6.353 1.201) 9.864 6.875 ( -7.908 -13.327 0.792) 15.517 7.440 ( -1.320 2.987 1.081) 3.440 7.631 ( -0.037 -6.523 -1.533) 6.701 7.788 ( -2.689 0.823 -1.645) 3.258 7.927 ( -2.634 -3.247 -0.218) 4.187 8.194 ( 14.275 0.411 -0.306) 14.284 8.248 ( 12.929 -2.744 -1.156) 13.267 9.135 ( -1.981 1.240 -4.382) 4.966 9.206 ( 0.895 -0.706 5.527) 5.643 9.491 ( 3.530 -0.020 -3.204) 4.768 9.587 ( 4.451 -4.116 2.782) 6.670 9.724 ( 3.139 6.090 -0.539) 6.873 9.843 ( 5.114 0.602 1.517) 5.368 10.242 ( 2.643 4.336 -3.121) 5.960 10.295 ( -0.880 2.943 -0.898) 3.200 10.829 ( 4.201 1.366 1.377) 4.627 10.877 ( 4.719 0.488 2.364) 5.301 11.545 ( -7.383 -1.183 0.413) 7.488 11.654 ( -11.282 -5.268 -2.921) 12.789 11.959 ( 3.417 4.993 -1.120) 6.153 12.214 ( 2.873 -4.929 1.240) 5.838 13.009 ( 4.065 9.250 -2.061) 10.312 13.098 ( 5.772 7.127 3.338) 9.760 13.538 ( -7.542 -0.197 -2.282) 7.882 13.611 ( -5.001 -3.055 2.513) 6.376 15.218 ( 4.451 3.472 0.976) 5.729 15.382 ( 8.731 -3.286 1.332) 9.424 15.788 ( -2.459 6.347 2.556) 7.271 16.030 ( 4.572 1.191 -1.923) 5.101 16.247 ( 3.683 -2.330 6.426) 7.765 16.426 ( 7.308 -1.547 -5.077) 9.032 16.758 ( 10.609 -6.030 2.399) 12.436 16.890 ( 8.634 -7.349 0.136) 11.339 17.735 ( -8.406 18.281 -8.599) 21.881 17.960 ( -2.803 13.135 3.151) 13.795 18.902 ( -11.875 -11.078 -14.464) 21.747 19.041 ( -9.094 -12.671 14.562) 21.338 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 1.554 7.937 -1.390) 8.207 1.824 ( 2.560 8.423 -1.723) 8.970 1.917 ( -2.960 3.035 -3.930) 5.781 2.024 ( -2.945 6.258 0.518) 6.935 2.451 ( -4.241 -5.653 2.009) 7.347 2.524 ( 0.267 3.340 1.860) 3.832 2.626 ( 0.593 -4.118 3.208) 5.254 2.792 ( -4.499 -5.383 4.280) 8.218 3.048 ( -3.409 2.949 -1.087) 4.637 3.170 ( -4.193 0.734 -3.545) 5.540 3.276 ( -0.172 2.982 1.598) 3.388 3.493 ( -5.066 -6.599 0.113) 8.320 3.959 ( -0.696 3.775 4.202) 5.691 4.071 ( -2.476 2.719 -3.475) 5.059 4.385 ( -0.425 -5.657 -0.552) 5.699 4.432 ( -0.068 -5.789 -6.352) 8.594 4.572 ( -1.321 -1.696 -3.212) 3.865 4.618 ( -0.555 -1.245 -1.822) 2.276 5.443 ( -6.707 -3.794 0.588) 7.728 5.504 ( -6.991 -5.855 2.043) 9.345 6.275 ( -5.136 2.285 -1.807) 5.905 6.620 ( -0.940 -2.289 2.573) 3.570 6.779 ( 1.012 -11.712 1.066) 11.804 6.838 ( 4.347 -3.089 4.276) 6.835 7.437 ( -1.897 2.610 3.241) 4.574 7.597 ( -1.584 -4.428 -1.386) 4.903 7.725 ( -1.806 1.316 -2.523) 3.371 7.873 ( -2.806 -2.773 -0.810) 4.028 8.293 ( 5.148 0.542 -7.622) 9.214 8.464 ( 10.716 -5.597 -2.800) 12.410 9.106 ( 4.505 5.832 -2.162) 7.680 9.319 ( 4.839 1.194 6.123) 7.895 9.451 ( 0.107 1.681 -9.440) 9.589 9.614 ( -2.746 0.028 0.193) 2.753 9.821 ( 3.969 0.080 6.710) 7.797 9.945 ( 5.713 -0.136 1.705) 5.963 10.330 ( 5.264 4.302 2.657) 7.299 10.336 ( 6.574 4.096 2.504) 8.140 10.903 ( 3.429 0.454 0.074) 3.460 10.962 ( 3.529 0.039 -0.583) 3.577 11.395 ( -9.596 -1.696 -2.560) 10.076 11.460 ( -8.051 -5.972 -1.190) 10.095 11.999 ( 2.518 5.898 -0.572) 6.439 12.246 ( 0.604 -3.899 -0.199) 3.951 13.052 ( 3.183 9.850 -2.285) 10.601 13.205 ( 3.478 5.503 0.881) 6.570 13.382 ( -6.569 -0.295 -2.851) 7.167 13.584 ( -1.881 -5.042 3.109) 6.215 15.295 ( 4.507 5.158 0.856) 6.903 15.564 ( 6.546 -5.860 5.888) 10.576 15.794 ( -2.014 7.534 5.832) 9.738 16.091 ( 1.658 -2.819 2.252) 3.971 16.423 ( 10.176 6.416 4.016) 12.682 16.506 ( 9.742 2.446 -5.512) 11.458 16.900 ( 9.953 -4.576 -5.051) 12.063 17.155 ( 12.976 -9.913 8.334) 18.333 17.472 ( -9.244 15.663 -9.942) 20.727 17.913 ( -3.980 7.338 -0.770) 8.383 18.520 ( -14.742 -4.736 -12.805) 20.093 19.005 ( -13.453 -15.931 12.184) 24.150 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -6.508 6.404 -4.988) 10.404 1.790 ( -1.654 3.615 1.911) 4.411 1.968 ( -0.499 5.118 8.711) 10.116 2.030 ( 10.253 5.350 -0.726) 11.588 2.378 ( -4.687 -1.793 1.055) 5.128 2.559 ( -1.591 1.212 1.615) 2.571 2.651 ( 0.695 -5.670 1.490) 5.903 2.760 ( -5.638 -3.416 4.142) 7.786 3.009 ( -1.144 0.447 -0.971) 1.565 3.089 ( -1.880 4.209 0.722) 4.665 3.301 ( -0.113 5.868 3.924) 7.060 3.414 ( -3.320 -4.897 -0.253) 5.922 4.005 ( -0.268 1.275 -4.275) 4.469 4.010 ( 1.555 -0.207 1.834) 2.413 4.309 ( -0.930 -3.558 -12.257) 12.797 4.370 ( -0.411 -6.191 -1.722) 6.439 4.479 ( -3.634 -4.697 -5.090) 7.822 4.585 ( -0.584 -5.443 -3.995) 6.777 5.350 ( -4.864 -0.942 0.586) 4.989 5.426 ( -5.623 -3.566 2.689) 7.181 6.215 ( -1.413 0.823 1.010) 1.922 6.576 ( -3.599 -11.882 -0.531) 12.426 6.864 ( 4.267 -1.043 3.165) 5.414 6.937 ( 1.863 -1.090 1.735) 2.769 7.464 ( -1.726 1.110 7.210) 7.496 7.565 ( -1.262 -0.857 0.660) 1.662 7.681 ( 0.219 -0.142 -2.242) 2.257 7.819 ( -2.196 -2.693 -1.199) 3.675 8.236 ( 1.534 1.489 -10.928) 11.135 8.501 ( 3.162 -9.563 -9.508) 13.851 9.178 ( 2.495 7.078 -1.483) 7.650 9.314 ( -1.658 3.651 -11.151) 11.851 9.479 ( 7.039 7.833 5.961) 12.101 9.640 ( 3.535 -2.113 6.719) 7.881 9.970 ( 2.056 -2.060 10.150) 10.559 10.071 ( 4.843 0.160 4.175) 6.396 10.473 ( 5.809 4.986 4.384) 8.822 10.484 ( 6.036 3.739 3.138) 7.763 10.932 ( 1.078 -0.744 -2.540) 2.857 10.958 ( 0.003 -0.282 -6.290) 6.296 11.223 ( -6.724 -0.496 -0.849) 6.795 11.341 ( -5.271 -7.514 -0.538) 9.194 12.031 ( 1.922 6.126 -0.137) 6.422 12.241 ( -0.596 -1.901 -0.496) 2.053 13.049 ( 0.483 6.162 -3.207) 6.963 13.227 ( 0.275 -0.428 -3.647) 3.682 13.299 ( -0.389 4.932 0.823) 5.015 13.592 ( -1.579 -3.798 1.815) 4.495 15.404 ( 5.272 7.437 4.020) 9.963 15.670 ( -2.671 -2.853 7.233) 8.221 15.898 ( 4.005 1.778 9.090) 10.092 16.127 ( -0.644 -6.183 3.701) 7.235 16.552 ( 3.152 9.299 -1.815) 9.985 16.717 ( 19.945 7.557 -3.805) 21.665 17.012 ( 8.263 -0.020 -1.587) 8.414 17.162 ( -6.635 13.702 -10.889) 18.717 17.433 ( 2.065 -3.805 0.879) 4.418 17.892 ( 6.885 -12.649 0.536) 14.411 18.145 ( -15.353 5.849 -8.101) 18.318 18.868 ( -16.405 -17.572 8.072) 25.359 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.961 3.900 -2.521) 4.743 1.694 ( -4.920 -0.615 -3.189) 5.895 2.149 ( 4.908 5.431 11.434) 13.577 2.250 ( 10.834 6.219 4.198) 13.178 2.345 ( -1.014 -1.409 1.893) 2.568 2.498 ( -6.183 1.351 1.195) 6.441 2.696 ( 3.825 -6.846 -0.189) 7.844 2.721 ( -3.816 -2.769 4.047) 6.213 2.974 ( -1.260 4.896 -0.058) 5.056 3.086 ( -0.133 1.684 -2.184) 2.761 3.347 ( -2.884 1.786 3.224) 4.680 3.414 ( 0.408 2.759 9.526) 9.926 3.970 ( 0.636 -0.195 -2.144) 2.245 4.018 ( 0.468 0.213 -5.678) 5.702 4.138 ( -2.437 -3.065 -11.313) 11.972 4.307 ( -0.171 0.536 -11.329) 11.343 4.394 ( 0.095 -11.602 -1.062) 11.651 4.504 ( -2.730 -9.843 -4.467) 11.149 5.311 ( -0.556 0.042 1.082) 1.217 5.371 ( -3.571 -1.915 1.202) 4.226 6.252 ( 1.820 -1.357 4.593) 5.123 6.520 ( -1.982 -12.024 -0.918) 12.221 6.932 ( -3.445 0.837 1.963) 4.053 6.946 ( 2.737 1.588 -1.113) 3.354 7.508 ( -3.497 0.531 6.769) 7.637 7.585 ( 2.354 4.422 1.493) 5.228 7.697 ( 0.919 -6.032 2.446) 6.574 7.783 ( -0.098 -3.221 -0.122) 3.225 8.128 ( 1.412 1.004 -11.803) 11.930 8.399 ( 0.499 -10.235 -12.802) 16.398 9.144 ( -1.641 5.429 -3.518) 6.674 9.174 ( -1.857 4.608 -7.512) 9.006 9.699 ( 7.500 8.345 8.077) 13.825 9.810 ( 4.686 0.233 8.355) 9.582 10.105 ( -0.450 -1.402 10.973) 11.071 10.188 ( 2.436 0.637 6.032) 6.537 10.547 ( 1.288 2.536 -2.136) 3.557 10.608 ( 1.636 7.700 5.556) 9.635 10.825 ( -3.856 -0.310 -8.928) 9.730 10.886 ( -1.230 -2.205 -4.147) 4.855 11.189 ( 2.282 -2.267 0.567) 3.266 11.268 ( -2.980 -7.292 -0.744) 7.913 12.067 ( 1.818 6.193 1.188) 6.562 12.214 ( -1.624 0.947 -1.155) 2.207 13.027 ( 1.461 1.635 -2.463) 3.298 13.163 ( -0.928 -3.748 -5.533) 6.747 13.355 ( 3.112 6.941 3.120) 8.222 13.551 ( -4.418 -0.050 -0.249) 4.426 15.546 ( 4.494 6.469 5.830) 9.800 15.694 ( -3.244 -2.089 7.149) 8.124 16.032 ( -1.649 0.438 8.696) 8.862 16.211 ( 3.414 -5.424 8.381) 10.550 16.497 ( -5.837 12.957 -3.400) 14.612 16.931 ( 10.755 -2.264 -13.887) 17.710 17.000 ( 3.029 6.443 -6.442) 9.601 17.168 ( 5.692 10.942 3.250) 12.755 17.307 ( -3.444 2.309 -6.479) 7.692 17.831 ( -10.571 9.772 -7.519) 16.241 18.185 ( 16.651 -19.218 8.235) 26.728 18.650 ( -16.864 -17.888 3.349) 24.811 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.736 3.105 -1.886) 3.707 1.700 ( 10.958 -1.133 -3.010) 11.420 2.274 ( -2.295 1.900 6.481) 7.133 2.367 ( -5.117 2.363 0.620) 5.670 2.418 ( 1.859 0.830 1.637) 2.612 2.437 ( 5.825 7.510 2.409) 9.805 2.707 ( -4.031 -4.725 2.371) 6.648 2.802 ( 6.266 -6.352 1.927) 9.128 2.971 ( 1.366 2.933 -0.304) 3.249 3.023 ( -1.181 -0.885 -5.266) 5.469 3.349 ( -3.098 7.795 8.530) 11.964 3.546 ( -1.042 4.424 11.030) 11.930 3.890 ( -0.611 1.787 -10.917) 11.079 3.986 ( 0.867 -0.825 -1.120) 1.639 4.018 ( -0.929 -2.794 -2.587) 3.920 4.144 ( -0.074 0.685 -16.032) 16.047 4.409 ( -0.135 -9.921 -0.658) 9.944 4.457 ( 4.021 -14.402 -1.439) 15.022 5.336 ( -0.034 -0.142 0.325) 0.356 5.364 ( 4.277 -1.672 1.013) 4.703 6.364 ( 3.287 -3.975 6.222) 8.082 6.479 ( -0.593 -8.854 -2.855) 9.322 6.866 ( -5.743 2.223 1.774) 6.408 6.961 ( 0.462 0.362 -0.882) 1.060 7.515 ( -2.709 2.996 4.464) 6.020 7.652 ( 4.400 4.713 -0.348) 6.457 7.704 ( -2.298 -6.088 2.411) 6.940 7.862 ( 2.514 -8.377 7.800) 11.719 8.032 ( 2.946 -0.075 -11.247) 11.627 8.253 ( 0.235 -9.600 -13.823) 16.832 9.060 ( -3.830 5.511 -2.154) 7.048 9.099 ( -1.037 4.091 -2.637) 4.976 9.838 ( -1.239 5.573 5.884) 8.199 9.920 ( -0.631 2.429 0.804) 2.635 10.205 ( -1.348 2.126 10.609) 10.903 10.296 ( -0.434 2.156 9.976) 10.216 10.497 ( -0.021 3.267 -4.979) 5.955 10.629 ( -0.868 7.086 -6.527) 9.673 10.691 ( -3.790 -2.780 1.855) 5.053 10.823 ( -2.554 -1.174 -2.220) 3.581 11.224 ( 0.129 -4.832 -2.112) 5.275 11.276 ( 6.540 -6.051 -0.042) 8.910 12.117 ( 1.263 5.176 2.590) 5.924 12.160 ( -2.456 3.773 -2.246) 5.031 13.051 ( 3.569 -1.724 -0.824) 4.048 13.083 ( -0.709 -2.811 -5.589) 6.297 13.443 ( -3.896 4.617 0.883) 6.106 13.459 ( 0.747 3.914 2.053) 4.482 15.661 ( 0.871 1.736 5.392) 5.731 15.722 ( -0.547 -1.982 3.630) 4.172 16.064 ( -8.315 8.178 8.683) 14.540 16.280 ( -4.267 8.181 3.191) 9.763 16.450 ( 1.184 -3.908 7.916) 8.908 16.820 ( -2.339 -4.711 -14.568) 15.488 16.929 ( -8.611 1.590 -5.091) 10.128 17.082 ( 4.353 -2.431 -6.656) 8.316 17.505 ( 7.863 18.320 3.790) 20.293 17.647 ( 4.654 14.727 -7.280) 17.075 18.341 ( -16.299 -16.603 1.892) 23.343 18.616 ( 18.699 -21.594 4.208) 28.873 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 7.179 7.288 -1.739) 10.377 1.900 ( 14.488 -1.856 -3.066) 14.924 2.177 ( -11.398 11.979 -4.804) 17.219 2.308 ( 0.172 1.622 4.813) 5.082 2.464 ( -0.147 1.438 -6.164) 6.332 2.560 ( 3.589 -1.165 2.478) 4.514 2.611 ( -3.314 -5.983 0.765) 6.882 2.877 ( 3.321 -5.353 -1.914) 6.584 2.958 ( 0.752 -0.554 -0.454) 1.038 3.052 ( 3.037 -1.266 2.553) 4.164 3.397 ( -6.508 13.646 9.822) 18.029 3.585 ( 0.034 3.397 -0.557) 3.443 3.810 ( -0.799 -0.764 -3.923) 4.076 3.973 ( 1.335 -0.026 1.508) 2.014 3.997 ( 1.490 -1.721 -7.789) 8.114 4.078 ( 4.656 1.594 2.255) 5.414 4.413 ( 1.618 -12.073 0.043) 12.181 4.538 ( 5.061 -12.398 -0.054) 13.392 5.374 ( 5.261 1.341 -0.295) 5.437 5.487 ( 8.576 -4.404 0.607) 9.660 6.386 ( -1.500 -3.268 -4.720) 5.934 6.518 ( 4.836 -8.782 2.898) 10.435 6.807 ( -3.845 1.512 3.215) 5.235 6.950 ( -2.236 -2.780 1.398) 3.832 7.530 ( 0.302 5.167 2.299) 5.664 7.703 ( -2.265 -4.532 3.981) 6.444 7.713 ( 4.235 2.924 -2.357) 5.660 7.951 ( -0.598 -3.355 0.809) 3.502 8.014 ( 4.259 -8.660 0.643) 9.672 8.106 ( 0.141 -8.154 -12.147) 14.630 8.981 ( -4.969 6.536 1.424) 8.333 9.069 ( -1.943 2.455 1.667) 3.548 9.759 ( -9.035 6.661 -4.791) 12.205 9.834 ( -6.727 2.606 -0.305) 7.221 10.239 ( -6.359 3.041 5.587) 8.994 10.388 ( -3.257 1.573 5.220) 6.351 10.444 ( 0.241 5.911 -6.921) 9.105 10.543 ( 1.039 3.573 -2.288) 4.368 10.709 ( -1.531 -0.804 7.175) 7.380 10.739 ( -4.325 -4.140 -0.870) 6.049 11.241 ( 4.938 -1.247 -1.958) 5.456 11.384 ( 6.993 -7.408 -1.345) 10.276 12.071 ( -3.819 5.666 -2.188) 7.175 12.174 ( 0.596 1.679 2.645) 3.189 13.029 ( 0.742 0.331 -3.530) 3.622 13.119 ( 4.571 -3.598 0.196) 5.821 13.328 ( -6.060 8.323 -0.183) 10.297 13.544 ( 2.007 -0.255 3.265) 3.841 15.654 ( -3.437 7.100 -3.492) 8.626 15.763 ( -0.312 -1.363 2.264) 2.661 15.934 ( -14.871 3.757 11.105) 18.936 16.310 ( -4.807 -0.420 3.789) 6.135 16.499 ( -1.235 -2.219 2.076) 3.280 16.610 ( -3.386 -2.801 -7.595) 8.775 16.765 ( -6.196 8.438 -1.482) 10.573 17.132 ( 4.291 -3.866 1.764) 6.039 17.467 ( 1.664 5.275 -7.779) 9.545 17.859 ( 9.275 10.282 -2.216) 14.023 18.086 ( -8.307 -0.720 0.799) 8.377 18.988 ( 19.473 -22.379 2.561) 29.775 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.235 12.281 0.035) 12.990 1.885 ( -11.325 10.843 -6.183) 16.853 2.077 ( 6.882 4.026 -6.267) 10.141 2.272 ( -3.359 -1.066 -9.877) 10.487 2.397 ( 2.805 1.129 4.064) 5.065 2.578 ( 1.500 1.189 0.115) 1.917 2.706 ( 5.290 -6.292 1.015) 8.283 2.935 ( 5.193 -1.802 -1.275) 5.643 2.999 ( 2.101 -3.008 1.385) 3.922 3.119 ( 2.021 0.501 4.443) 4.906 3.345 ( -5.457 11.402 0.860) 12.670 3.550 ( 0.673 -2.845 -6.362) 7.002 3.772 ( -0.874 0.754 3.598) 3.778 4.017 ( 1.243 -6.673 3.201) 7.505 4.082 ( 6.432 4.739 4.800) 9.320 4.177 ( 2.981 3.602 2.629) 5.364 4.459 ( 2.333 -10.602 1.752) 10.996 4.603 ( 2.224 -10.445 0.194) 10.681 5.500 ( 10.160 0.629 -1.298) 10.262 5.647 ( 10.717 -6.852 -1.630) 12.824 6.313 ( 0.092 -0.230 -4.414) 4.420 6.616 ( 4.190 -10.363 1.096) 11.232 6.820 ( 0.739 -2.669 2.794) 3.934 6.913 ( -3.417 -3.855 1.086) 5.265 7.583 ( 2.618 5.185 2.272) 6.238 7.675 ( -2.563 1.197 -2.132) 3.542 7.741 ( 2.339 -2.548 -3.590) 4.985 7.934 ( 1.760 -3.813 -7.253) 8.380 7.994 ( -1.846 -6.643 1.474) 7.051 8.107 ( -1.664 -8.739 7.003) 11.322 8.929 ( -6.806 6.586 6.295) 11.372 9.054 ( -5.136 0.789 4.458) 6.846 9.543 ( -6.734 9.416 -5.633) 12.874 9.704 ( -5.712 1.438 -2.353) 6.343 10.144 ( -7.062 2.975 -1.835) 7.880 10.252 ( -5.848 0.333 -8.090) 9.988 10.374 ( -5.287 2.716 -1.336) 6.092 10.498 ( -5.781 5.508 -1.658) 8.155 10.743 ( 0.852 -3.309 5.453) 6.435 10.780 ( -0.138 -0.470 6.372) 6.391 11.337 ( 7.756 0.392 -0.353) 7.774 11.480 ( 7.242 -6.986 -2.122) 10.283 11.989 ( -3.802 5.520 -0.765) 6.746 12.196 ( -1.209 -2.587 2.110) 3.551 13.020 ( 0.781 6.274 -1.798) 6.574 13.199 ( 4.407 -2.870 0.222) 5.264 13.271 ( -1.044 7.007 2.165) 7.408 13.589 ( 0.029 -3.545 1.999) 4.070 15.473 ( -9.039 13.669 -7.044) 17.837 15.731 ( -8.252 -1.380 2.824) 8.830 15.858 ( -10.201 -2.505 9.665) 14.274 16.181 ( -4.629 -11.399 -0.861) 12.333 16.436 ( -6.112 4.426 -8.771) 11.570 16.543 ( 0.353 -2.597 -3.054) 4.025 16.751 ( 0.733 13.107 8.053) 15.401 17.198 ( 0.749 1.992 -0.778) 2.266 17.501 ( 7.257 -5.613 2.256) 9.448 17.673 ( -12.936 -12.067 -6.469) 18.836 18.254 ( 13.560 25.604 3.089) 29.137 19.301 ( 16.486 -22.271 -1.113) 27.731 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -9.718 11.759 -1.370) 15.317 1.764 ( -3.054 18.535 -0.196) 18.786 1.982 ( -2.458 -1.987 -5.132) 6.027 2.261 ( 6.605 3.082 -7.867) 10.725 2.446 ( -0.307 0.512 1.656) 1.760 2.657 ( 6.806 4.161 0.647) 8.003 2.776 ( 3.858 -4.398 -2.517) 6.368 2.953 ( 0.870 6.135 -1.227) 6.316 3.041 ( 1.342 -1.464 0.587) 2.071 3.228 ( 4.142 -3.596 -1.896) 5.803 3.266 ( -1.731 3.964 -1.845) 4.703 3.532 ( 3.109 -8.480 0.591) 9.051 3.878 ( 2.005 1.600 12.086) 12.355 4.084 ( 0.868 -5.597 5.402) 7.827 4.179 ( 3.172 5.369 -4.446) 7.658 4.292 ( 4.419 3.607 9.052) 10.699 4.510 ( 0.280 -5.139 1.852) 5.470 4.615 ( -0.623 -9.231 0.582) 9.270 5.651 ( 10.479 -2.165 -3.905) 11.391 5.787 ( 9.692 -9.444 -4.572) 14.284 6.311 ( 2.602 1.073 -0.002) 2.815 6.678 ( 0.803 -10.692 0.398) 10.730 6.833 ( 1.330 -1.607 -3.841) 4.371 6.928 ( 5.473 -6.485 0.326) 8.492 7.600 ( -2.077 0.379 -2.589) 3.341 7.619 ( 0.398 2.686 -4.898) 5.600 7.718 ( 1.826 -1.501 -0.928) 2.539 7.913 ( 1.918 -5.829 -0.649) 6.171 8.004 ( -5.021 -3.850 6.572) 9.122 8.101 ( -7.678 -6.585 4.693) 11.151 8.865 ( -9.341 4.802 6.801) 12.513 8.984 ( -9.780 0.036 6.883) 11.959 9.476 ( 2.927 9.644 -0.289) 10.082 9.646 ( 0.770 2.115 -0.627) 2.336 9.976 ( -6.991 3.218 -5.932) 9.717 10.061 ( -5.197 -2.085 -8.607) 10.268 10.248 ( -7.266 2.811 -1.555) 7.944 10.380 ( -4.008 1.533 -2.654) 5.046 10.793 ( -1.779 -0.235 3.518) 3.949 10.826 ( -1.562 1.329 3.916) 4.420 11.482 ( 8.466 0.326 1.716) 8.644 11.592 ( 8.338 -5.962 -0.769) 10.280 11.925 ( -3.993 4.785 0.580) 6.259 12.182 ( -2.910 -5.669 1.583) 6.566 12.992 ( -1.629 11.208 -1.664) 11.448 13.238 ( 1.222 2.586 -2.446) 3.763 13.365 ( 5.895 0.067 5.400) 7.995 13.606 ( 0.392 -4.608 1.620) 4.900 15.245 ( -11.310 11.144 -2.524) 16.077 15.543 ( -10.896 -2.034 -2.626) 11.391 15.836 ( -6.029 -1.196 9.565) 11.370 16.139 ( -5.951 -8.641 2.380) 10.759 16.260 ( 0.002 2.561 -9.229) 9.578 16.465 ( 0.803 -4.998 -9.900) 11.119 16.836 ( -1.215 9.662 3.009) 10.192 17.142 ( -5.727 -0.406 -4.398) 7.232 17.455 ( -1.174 -0.033 -2.473) 2.738 17.718 ( 5.615 -7.634 12.580) 15.750 18.494 ( 10.515 23.310 3.317) 25.786 19.501 ( 11.565 -21.621 -5.363) 25.099 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -3.137 12.169 4.759) 13.438 1.684 ( -3.468 16.829 -0.861) 17.204 1.980 ( 2.154 0.990 3.004) 3.826 2.226 ( 1.269 10.690 -9.299) 14.225 2.449 ( -0.822 -7.142 1.533) 7.350 2.735 ( 1.282 3.811 -6.903) 7.989 2.773 ( 5.347 -3.290 -3.936) 7.410 2.995 ( 2.306 -3.889 -2.328) 5.085 3.079 ( 2.753 12.615 4.852) 13.793 3.211 ( -1.765 -4.258 -3.604) 5.851 3.228 ( -0.576 -2.757 0.661) 2.893 3.618 ( 2.073 -8.774 1.468) 9.134 4.068 ( 2.326 2.426 12.863) 13.295 4.132 ( -0.279 -1.227 1.819) 2.212 4.200 ( 4.234 3.348 0.177) 5.400 4.452 ( -0.328 2.350 5.924) 6.382 4.486 ( -0.034 -1.422 0.691) 1.581 4.628 ( -0.730 -5.476 3.651) 6.622 5.745 ( 7.197 -5.218 -5.860) 10.647 5.852 ( 5.292 -11.154 -6.611) 14.004 6.379 ( 2.320 -0.974 3.140) 4.024 6.616 ( -5.054 -9.215 -2.906) 10.904 6.850 ( 8.390 2.430 -7.750) 11.678 7.046 ( 7.537 -9.027 -2.243) 11.972 7.531 ( -1.322 0.851 -3.348) 3.698 7.591 ( 2.056 -1.590 -0.169) 2.604 7.759 ( -0.030 1.311 1.568) 2.044 7.915 ( -13.461 -3.211 3.589) 14.297 7.956 ( 1.651 -5.016 1.685) 5.543 7.996 ( -5.010 -5.646 1.396) 7.676 8.851 ( -2.616 1.550 10.489) 10.921 8.925 ( -7.640 -1.325 10.654) 13.177 9.573 ( 4.940 6.499 0.187) 8.166 9.649 ( -0.430 5.555 -1.477) 5.764 9.804 ( -4.695 0.853 -6.871) 8.365 9.903 ( -2.369 -2.810 -7.456) 8.313 10.128 ( -4.093 5.120 -0.298) 6.562 10.338 ( 1.262 -1.969 -0.383) 2.370 10.775 ( -2.625 1.663 0.747) 3.196 10.810 ( -3.521 1.916 1.071) 4.149 11.649 ( 7.770 0.317 3.025) 8.344 11.739 ( 8.317 -4.213 1.356) 9.421 11.863 ( -4.140 3.522 1.041) 5.534 12.132 ( -4.996 -7.100 1.022) 8.742 12.944 ( -1.431 11.603 -1.675) 11.811 13.181 ( -2.303 3.640 -5.486) 6.974 13.531 ( 4.981 -0.278 5.953) 7.767 13.656 ( 2.770 -3.428 2.149) 4.904 15.059 ( -9.703 9.241 2.105) 13.564 15.377 ( -4.537 -4.107 -3.459) 7.030 15.858 ( -3.665 0.387 8.930) 9.661 16.002 ( -5.082 1.286 -5.542) 7.629 16.235 ( 1.037 -7.681 -2.118) 8.035 16.365 ( 1.513 -6.618 -10.863) 12.810 16.783 ( -3.537 4.160 -3.741) 6.619 16.932 ( -6.622 -2.717 -8.125) 10.828 17.566 ( 5.466 10.320 9.059) 14.779 17.928 ( 3.580 -0.710 9.505) 10.182 18.682 ( 5.724 15.386 6.636) 17.707 19.559 ( 5.367 -20.321 -9.543) 23.083 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.064 -4.087 1.993) 6.099 1.808 ( 4.064 4.088 1.993) 6.099 2.206 ( -0.192 -11.158 4.110) 11.893 2.206 ( -0.192 11.159 4.111) 11.893 2.436 ( 0.058 -13.615 -9.407) 16.549 2.436 ( 0.058 13.616 -9.407) 16.549 2.834 ( -2.140 -5.520 -5.864) 8.332 2.834 ( -2.140 5.520 -5.864) 8.332 3.131 ( -0.191 -4.038 2.533) 4.770 3.131 ( -0.191 4.038 2.533) 4.771 3.463 ( 0.231 -7.932 0.110) 7.936 3.463 ( 0.231 7.933 0.110) 7.937 4.210 ( -0.644 -3.398 4.229) 5.463 4.210 ( -0.643 3.398 4.229) 5.463 4.344 ( -0.142 -4.049 3.867) 5.600 4.344 ( -0.142 4.049 3.867) 5.601 4.628 ( -0.466 -1.284 6.005) 6.159 4.628 ( -0.466 1.284 6.005) 6.159 5.683 ( 1.094 -1.201 -6.959) 7.146 5.683 ( 1.094 1.201 -6.959) 7.146 6.403 ( -0.603 -2.290 -0.769) 2.490 6.403 ( -0.603 2.290 -0.769) 2.490 6.959 ( 1.002 -2.296 -3.758) 4.517 6.959 ( 1.002 2.297 -3.758) 4.517 7.542 ( -1.507 -2.085 -0.839) 2.706 7.542 ( -1.507 2.086 -0.839) 2.706 7.782 ( 1.804 -1.554 0.146) 2.385 7.782 ( 1.804 1.554 0.146) 2.386 7.920 ( 0.107 -1.459 2.342) 2.761 7.920 ( 0.107 1.459 2.342) 2.762 8.977 ( -0.501 -1.250 13.990) 14.055 8.977 ( -0.501 1.250 13.990) 14.055 9.587 ( -1.067 -0.853 -10.149) 10.241 9.587 ( -1.067 0.853 -10.149) 10.241 9.764 ( -0.240 -2.949 -3.383) 4.494 9.764 ( -0.240 2.949 -3.383) 4.494 10.298 ( 2.799 -5.040 2.804) 6.411 10.298 ( 2.799 5.040 2.804) 6.411 10.771 ( -1.485 -0.389 -0.360) 1.577 10.771 ( -1.485 0.389 -0.360) 1.577 11.836 ( 3.167 -3.442 3.836) 6.049 11.836 ( 3.166 3.442 3.836) 6.049 11.889 ( -2.411 -4.955 -0.902) 5.584 11.889 ( -2.410 4.955 -0.902) 5.583 13.081 ( -0.854 -4.055 -2.894) 5.054 13.081 ( -0.854 4.055 -2.894) 5.054 13.664 ( 0.149 -1.698 3.887) 4.244 13.664 ( 0.149 1.698 3.887) 4.244 15.168 ( -0.664 -7.299 -0.283) 7.334 15.168 ( -0.664 7.299 -0.283) 7.335 15.948 ( -2.220 -3.355 4.560) 6.081 15.948 ( -2.220 3.355 4.560) 6.081 16.124 ( 2.083 -6.479 -8.562) 10.937 16.124 ( 2.083 6.479 -8.562) 10.937 16.743 ( -1.391 -4.128 -5.205) 6.787 16.743 ( -1.391 4.128 -5.205) 6.787 18.004 ( 2.750 -8.499 11.265) 14.377 18.004 ( 2.750 8.499 11.265) 14.377 19.082 ( -0.957 -17.098 -5.426) 17.964 19.082 ( -0.957 17.098 -5.426) 17.964 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.749 -0.762 -2.580) 6.347 1.899 ( 5.749 0.763 -2.580) 6.348 2.187 ( -5.107 -11.453 1.191) 12.597 2.187 ( -5.107 11.453 1.191) 12.597 2.394 ( 3.545 -11.643 -4.413) 12.946 2.394 ( 3.545 11.643 -4.412) 12.946 2.721 ( -5.635 -0.987 -0.572) 5.749 2.721 ( -5.635 0.987 -0.572) 5.749 3.165 ( 0.279 -2.882 2.409) 3.766 3.165 ( 0.279 2.882 2.409) 3.766 3.446 ( -1.106 -1.366 -0.685) 1.886 3.446 ( -1.105 1.366 -0.685) 1.886 4.194 ( -4.387 -3.042 1.745) 5.617 4.194 ( -4.387 3.042 1.745) 5.617 4.390 ( 0.561 -3.144 1.482) 3.521 4.390 ( 0.561 3.145 1.482) 3.521 4.656 ( -3.232 -0.446 4.916) 5.900 4.656 ( -3.232 0.446 4.916) 5.901 5.596 ( -3.136 -0.807 -4.695) 5.703 5.596 ( -3.136 0.807 -4.695) 5.703 6.424 ( 3.735 -3.149 -0.008) 4.885 6.424 ( 3.735 3.149 -0.008) 4.885 6.844 ( -9.393 -4.982 -2.080) 10.834 6.844 ( -9.393 4.983 -2.080) 10.834 7.514 ( -0.715 -3.066 0.476) 3.184 7.514 ( -0.715 3.066 0.476) 3.184 7.863 ( 2.662 -2.687 -1.128) 3.947 7.863 ( 2.662 2.687 -1.128) 3.947 7.991 ( 9.485 -3.175 1.169) 10.071 7.991 ( 9.485 3.175 1.169) 10.071 9.130 ( -0.574 -2.139 11.455) 11.667 9.130 ( -0.574 2.139 11.455) 11.667 9.480 ( 3.010 -1.344 -9.331) 9.896 9.480 ( 3.010 1.345 -9.331) 9.896 9.762 ( 3.070 -1.619 -0.844) 3.572 9.762 ( 3.070 1.619 -0.844) 3.572 10.335 ( -0.124 -1.913 -1.194) 2.258 10.335 ( -0.124 1.913 -1.194) 2.258 10.782 ( 2.464 -0.828 1.257) 2.887 10.782 ( 2.464 0.828 1.257) 2.887 11.733 ( -9.310 -5.369 -0.002) 10.748 11.733 ( -9.310 5.370 -0.002) 10.748 11.998 ( 6.494 -5.431 0.918) 8.515 11.998 ( 6.494 5.431 0.918) 8.515 13.074 ( 2.625 -1.077 -0.580) 2.896 13.074 ( 2.625 1.078 -0.580) 2.896 13.654 ( -5.047 -0.174 1.779) 5.355 13.654 ( -5.047 0.174 1.779) 5.354 15.204 ( 4.397 -4.305 0.100) 6.154 15.204 ( 4.397 4.305 0.100) 6.154 15.944 ( -0.282 -7.997 -0.678) 8.031 15.944 ( -0.282 7.997 -0.678) 8.031 16.153 ( 6.975 -9.062 -0.045) 11.436 16.153 ( 6.975 9.062 -0.045) 11.436 16.701 ( 1.677 -5.744 -2.507) 6.488 16.701 ( 1.677 5.744 -2.507) 6.488 18.107 ( -1.234 -3.681 3.924) 5.520 18.107 ( -1.234 3.681 3.924) 5.520 18.969 ( -6.605 -7.823 -2.525) 10.545 18.969 ( -6.605 7.823 -2.525) 10.545 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 1.985 -1.372 -6.413) 6.852 1.906 ( 1.984 1.373 -6.413) 6.852 2.119 ( -4.548 -6.808 0.581) 8.208 2.119 ( -4.548 6.808 0.581) 8.208 2.409 ( 2.472 -7.416 -1.132) 7.899 2.409 ( 2.472 7.416 -1.132) 7.899 2.672 ( -3.991 -5.995 5.360) 8.978 2.672 ( -3.991 5.996 5.360) 8.978 3.167 ( -1.076 -4.377 -1.243) 4.676 3.167 ( -1.076 4.377 -1.243) 4.676 3.418 ( -2.440 -5.689 0.425) 6.205 3.418 ( -2.441 5.689 0.425) 6.205 4.131 ( -5.646 -7.270 3.215) 9.750 4.131 ( -5.646 7.270 3.215) 9.750 4.377 ( -0.966 -5.375 -2.824) 6.148 4.377 ( -0.966 5.375 -2.824) 6.148 4.638 ( -2.152 -0.849 -0.167) 2.320 4.638 ( -2.152 0.849 -0.167) 2.320 5.493 ( -5.144 -1.291 -0.534) 5.330 5.493 ( -5.144 1.291 -0.534) 5.330 6.488 ( 1.194 -7.160 -1.074) 7.338 6.488 ( 1.194 7.161 -1.074) 7.339 6.691 ( -4.821 -5.814 2.198) 7.866 6.691 ( -4.821 5.814 2.198) 7.866 7.513 ( -0.542 -4.387 0.507) 4.449 7.513 ( -0.542 4.387 0.507) 4.450 7.844 ( -1.756 -3.938 -1.237) 4.486 7.844 ( -1.756 3.938 -1.237) 4.486 8.209 ( 13.707 -1.301 -1.403) 13.840 8.209 ( 13.707 1.302 -1.403) 13.840 9.176 ( 0.454 -2.099 0.267) 2.164 9.176 ( 0.454 2.099 0.267) 2.165 9.510 ( 3.518 -2.424 1.721) 4.606 9.510 ( 3.518 2.424 1.721) 4.606 9.824 ( 4.266 -2.864 -0.695) 5.185 9.824 ( 4.266 2.864 -0.695) 5.185 10.310 ( 1.340 -1.558 -1.665) 2.645 10.310 ( 1.340 1.558 -1.664) 2.645 10.860 ( 3.998 -1.524 1.614) 4.573 10.860 ( 3.998 1.524 1.614) 4.573 11.565 ( -9.743 -2.869 -1.234) 10.232 11.565 ( -9.743 2.869 -1.234) 10.232 12.088 ( 4.077 -6.594 -0.382) 7.762 12.088 ( 4.077 6.595 -0.382) 7.762 13.146 ( 4.885 -2.770 0.815) 5.674 13.146 ( 4.885 2.771 0.815) 5.675 13.554 ( -7.258 -2.125 0.032) 7.563 13.554 ( -7.258 2.125 0.032) 7.563 15.299 ( 5.924 -4.177 1.290) 7.362 15.299 ( 5.924 4.177 1.290) 7.362 15.948 ( -0.371 -7.486 2.087) 7.780 15.948 ( -0.371 7.486 2.087) 7.780 16.322 ( 13.528 -7.094 -1.741) 15.374 16.322 ( 13.528 7.094 -1.741) 15.374 16.750 ( 4.651 -4.708 2.509) 7.078 16.750 ( 4.651 4.709 2.509) 7.078 18.038 ( -5.424 -7.542 -6.165) 11.150 18.038 ( -5.424 7.542 -6.165) 11.150 18.823 ( -10.915 -5.411 2.945) 12.534 18.823 ( -10.915 5.411 2.945) 12.534 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.898 -3.738 -1.513) 4.456 1.886 ( 1.898 3.738 -1.513) 4.457 2.024 ( -5.914 -6.513 -1.163) 8.874 2.024 ( -5.914 6.513 -1.163) 8.874 2.456 ( 1.627 -5.990 1.816) 6.467 2.456 ( 1.627 5.990 1.816) 6.467 2.665 ( -4.139 -5.697 4.406) 8.307 2.665 ( -4.139 5.697 4.406) 8.307 3.120 ( -1.781 -4.721 -1.620) 5.299 3.120 ( -1.781 4.721 -1.620) 5.300 3.372 ( -2.504 -5.431 -0.054) 5.981 3.372 ( -2.504 5.432 -0.054) 5.981 4.089 ( -3.087 -5.127 1.801) 6.250 4.089 ( -3.087 5.127 1.801) 6.250 4.310 ( -3.653 -3.540 -1.607) 5.335 4.310 ( -3.653 3.541 -1.607) 5.335 4.583 ( 0.230 -1.920 -6.632) 6.908 4.583 ( 0.230 1.920 -6.632) 6.908 5.415 ( -5.285 -1.698 1.900) 5.867 5.415 ( -5.285 1.698 1.900) 5.867 6.407 ( -5.390 -10.314 -1.688) 11.760 6.407 ( -5.390 10.315 -1.688) 11.760 6.769 ( 5.328 -3.409 4.843) 7.967 6.769 ( 5.329 3.409 4.843) 7.967 7.503 ( -1.651 -3.884 1.230) 4.396 7.503 ( -1.651 3.884 1.230) 4.396 7.796 ( -1.543 -4.247 -2.036) 4.956 7.796 ( -1.543 4.247 -2.036) 4.956 8.350 ( 7.570 -4.537 -6.623) 11.034 8.350 ( 7.570 4.537 -6.623) 11.034 9.239 ( 7.093 -6.258 0.079) 9.459 9.239 ( 7.093 6.258 0.079) 9.460 9.544 ( -1.997 -5.319 1.388) 5.848 9.544 ( -1.997 5.319 1.388) 5.849 9.890 ( 4.084 -4.360 1.771) 6.230 9.890 ( 4.084 4.360 1.771) 6.231 10.383 ( 6.089 -0.675 2.898) 6.777 10.383 ( 6.089 0.675 2.898) 6.777 10.930 ( 3.120 -2.040 -0.429) 3.753 10.930 ( 3.120 2.040 -0.429) 3.753 11.388 ( -8.988 -1.249 -1.954) 9.283 11.388 ( -8.988 1.250 -1.954) 9.283 12.134 ( 2.402 -6.329 -0.751) 6.811 12.134 ( 2.402 6.330 -0.751) 6.811 13.206 ( 1.635 -4.526 -2.283) 5.327 13.206 ( 1.635 4.527 -2.283) 5.327 13.458 ( -3.580 -6.362 1.469) 7.447 13.458 ( -3.580 6.362 1.469) 7.447 15.428 ( 5.518 -6.877 4.339) 9.827 15.428 ( 5.518 6.877 4.339) 9.827 15.964 ( -1.791 -7.897 3.815) 8.951 15.964 ( -1.791 7.897 3.815) 8.951 16.535 ( 17.049 -1.290 -6.965) 18.462 16.535 ( 17.049 1.290 -6.965) 18.462 16.924 ( 8.284 -8.305 9.110) 14.852 16.924 ( 8.284 8.305 9.110) 14.852 17.808 ( -8.387 -13.944 -12.885) 20.756 17.808 ( -8.387 13.944 -12.885) 20.756 18.666 ( -13.860 -14.954 5.482) 21.113 18.666 ( -13.860 14.954 5.482) 21.113 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -7.818 -2.382 -3.126) 8.751 1.818 ( -7.818 2.382 -3.126) 8.751 2.040 ( 5.781 -2.266 5.943) 8.595 2.040 ( 5.781 2.266 5.943) 8.595 2.475 ( -0.898 -9.133 0.853) 9.217 2.475 ( -0.898 9.133 0.853) 9.217 2.638 ( -3.570 -6.087 2.807) 7.595 2.638 ( -3.570 6.087 2.807) 7.595 3.087 ( -0.685 -4.263 -0.628) 4.364 3.087 ( -0.685 4.264 -0.628) 4.364 3.362 ( -0.372 -1.405 2.822) 3.175 3.362 ( -0.372 1.406 2.822) 3.175 4.055 ( -1.141 -0.635 -1.882) 2.290 4.055 ( -1.141 0.635 -1.882) 2.290 4.231 ( -4.393 -1.484 -0.081) 4.638 4.231 ( -4.393 1.484 -0.081) 4.638 4.492 ( 0.487 -3.393 -11.091) 11.608 4.492 ( 0.487 3.394 -11.091) 11.608 5.358 ( -4.168 -2.097 2.128) 5.128 5.358 ( -4.168 2.098 2.128) 5.128 6.323 ( -2.943 -9.465 -0.260) 9.916 6.323 ( -2.943 9.465 -0.260) 9.916 6.902 ( 4.231 -2.379 3.012) 5.712 6.902 ( 4.231 2.379 3.012) 5.712 7.501 ( -1.907 -2.973 4.540) 5.752 7.501 ( -1.907 2.973 4.540) 5.752 7.751 ( -0.631 -4.066 -2.688) 4.915 7.751 ( -0.631 4.066 -2.688) 4.915 8.325 ( 2.585 -6.699 -11.246) 13.342 8.325 ( 2.585 6.699 -11.246) 13.343 9.302 ( 1.399 -4.203 -6.462) 7.835 9.302 ( 1.399 4.203 -6.462) 7.835 9.593 ( 4.896 -3.487 8.080) 10.071 9.593 ( 4.896 3.487 8.080) 10.071 10.004 ( 3.228 -4.474 6.780) 8.742 10.004 ( 3.228 4.475 6.780) 8.742 10.534 ( 5.623 -1.382 4.767) 7.501 10.534 ( 5.623 1.383 4.767) 7.501 10.934 ( 0.433 -1.502 -5.083) 5.318 10.934 ( 0.433 1.503 -5.083) 5.318 11.240 ( -6.041 -2.435 -0.959) 6.583 11.240 ( -6.041 2.435 -0.959) 6.583 12.159 ( 1.523 -5.466 -0.265) 5.680 12.159 ( 1.523 5.466 -0.265) 5.681 13.149 ( -1.849 -4.273 -4.923) 6.776 13.149 ( -1.849 4.273 -4.923) 6.776 13.469 ( 0.512 -7.780 2.554) 8.205 13.469 ( 0.512 7.780 2.554) 8.205 15.566 ( 2.722 -7.032 6.872) 10.202 15.566 ( 2.722 7.032 6.872) 10.202 15.987 ( -0.445 -6.272 5.008) 8.038 15.987 ( -0.445 6.272 5.008) 8.038 16.709 ( 13.435 -5.749 -8.438) 16.874 16.709 ( 13.435 5.749 -8.438) 16.874 17.203 ( 9.723 -12.926 9.215) 18.616 17.203 ( 9.723 12.926 9.215) 18.616 17.515 ( -5.913 -17.267 -13.135) 22.486 17.515 ( -5.913 17.267 -13.135) 22.486 18.477 ( -15.260 -19.007 4.055) 24.710 18.477 ( -15.260 19.007 4.055) 24.710 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -3.615 -2.481 -3.806) 5.806 1.668 ( -3.615 2.481 -3.806) 5.806 2.222 ( 3.565 -2.560 7.761) 8.916 2.222 ( 3.565 2.560 7.761) 8.916 2.497 ( 3.677 -9.126 2.337) 10.112 2.497 ( 3.677 9.126 2.337) 10.112 2.607 ( -3.248 -5.966 1.711) 7.006 2.607 ( -3.248 5.967 1.711) 7.006 3.063 ( -0.682 -3.528 -2.909) 4.624 3.063 ( -0.682 3.529 -2.909) 4.624 3.421 ( -0.369 -3.486 8.725) 9.403 3.421 ( -0.369 3.486 8.725) 9.403 4.009 ( -1.361 -3.098 -2.533) 4.227 4.009 ( -1.361 3.098 -2.533) 4.227 4.166 ( -1.098 -8.199 -3.706) 9.064 4.166 ( -1.098 8.199 -3.706) 9.065 4.355 ( -0.465 -4.349 -12.043) 12.813 4.355 ( -0.465 4.349 -12.043) 12.813 5.327 ( -1.871 -1.723 1.447) 2.926 5.327 ( -1.871 1.723 1.447) 2.927 6.308 ( 0.025 -6.854 1.817) 7.091 6.308 ( 0.025 6.854 1.817) 7.091 6.958 ( 0.082 -0.740 0.502) 0.898 6.958 ( 0.082 0.740 0.502) 0.898 7.543 ( -1.641 -3.464 7.523) 8.444 7.543 ( -1.641 3.464 7.523) 8.444 7.721 ( 0.832 -3.389 -2.417) 4.245 7.721 ( 0.832 3.389 -2.417) 4.245 8.214 ( 1.420 -6.885 -13.380) 15.115 8.214 ( 1.420 6.885 -13.380) 15.115 9.213 ( -1.794 -0.923 -5.790) 6.131 9.213 ( -1.794 0.923 -5.790) 6.131 9.801 ( 5.640 -1.735 8.922) 10.697 9.801 ( 5.640 1.735 8.922) 10.697 10.136 ( 1.717 -3.709 9.204) 10.071 10.136 ( 1.717 3.709 9.204) 10.071 10.639 ( 0.492 -4.361 2.581) 5.092 10.639 ( 0.492 4.362 2.581) 5.092 10.843 ( -1.522 -2.881 -6.805) 7.544 10.843 ( -1.521 2.881 -6.805) 7.544 11.176 ( -0.826 -1.516 -0.801) 1.904 11.176 ( -0.826 1.516 -0.801) 1.904 12.181 ( 0.803 -3.975 0.481) 4.084 12.181 ( 0.803 3.975 0.481) 4.084 13.071 ( -0.459 -3.436 -4.992) 6.077 13.071 ( -0.459 3.437 -4.991) 6.077 13.499 ( -0.240 -5.136 2.110) 5.558 13.499 ( -0.240 5.137 2.110) 5.558 15.652 ( -1.177 -3.014 6.253) 7.041 15.652 ( -1.177 3.014 6.253) 7.041 16.086 ( 2.735 -4.930 9.009) 10.628 16.086 ( 2.735 4.930 9.009) 10.628 16.761 ( 3.002 -11.095 -9.205) 14.726 16.761 ( 3.002 11.095 -9.205) 14.726 17.149 ( -6.396 -7.053 -9.545) 13.481 17.149 ( -6.396 7.053 -9.545) 13.481 17.634 ( 16.420 -21.556 5.498) 27.650 17.634 ( 16.420 21.556 5.498) 27.650 18.259 ( -13.503 -18.161 1.245) 22.665 18.259 ( -13.503 18.161 1.245) 22.665 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.293 -3.533 -2.981) 7.808 1.650 ( 6.293 3.533 -2.981) 7.808 2.308 ( 0.457 -2.830 4.730) 5.531 2.308 ( 0.457 2.830 4.730) 5.531 2.554 ( -3.989 -5.264 -0.831) 6.656 2.554 ( -3.989 5.264 -0.831) 6.656 2.642 ( 4.950 -6.551 4.551) 9.388 2.642 ( 4.950 6.551 4.551) 9.388 2.997 ( -0.914 -1.065 -4.428) 4.645 2.997 ( -0.914 1.066 -4.428) 4.645 3.533 ( -2.081 -6.395 13.406) 14.998 3.533 ( -2.081 6.395 13.406) 14.998 3.952 ( -2.289 -2.561 -2.588) 4.301 3.952 ( -2.289 2.561 -2.588) 4.301 4.094 ( 4.688 -8.731 -13.681) 16.893 4.094 ( 4.688 8.731 -13.681) 16.893 4.263 ( 0.541 -1.662 -2.462) 3.019 4.263 ( 0.541 1.662 -2.462) 3.019 5.336 ( 1.704 -0.675 0.994) 2.085 5.336 ( 1.704 0.676 0.994) 2.085 6.350 ( 1.802 -2.872 1.775) 3.827 6.350 ( 1.802 2.872 1.775) 3.827 6.928 ( -3.645 -2.959 0.437) 4.715 6.928 ( -3.645 2.959 0.437) 4.715 7.591 ( -1.729 -4.495 5.604) 7.389 7.591 ( -1.729 4.496 5.604) 7.389 7.741 ( 2.452 -4.072 1.565) 5.005 7.741 ( 2.452 4.072 1.565) 5.005 8.091 ( 1.959 -5.579 -13.410) 14.656 8.091 ( 1.959 5.579 -13.410) 14.656 9.131 ( -2.630 -1.020 -2.298) 3.638 9.131 ( -2.630 1.020 -2.298) 3.638 9.917 ( -1.405 -2.141 3.928) 4.689 9.917 ( -1.405 2.141 3.928) 4.689 10.273 ( 0.567 -3.283 11.059) 11.550 10.273 ( 0.567 3.283 11.059) 11.550 10.590 ( -1.598 -4.812 -5.545) 7.514 10.590 ( -1.598 4.812 -5.545) 7.514 10.770 ( -3.678 -4.317 -0.528) 5.696 10.770 ( -3.678 4.317 -0.528) 5.696 11.190 ( 4.171 -1.673 -1.637) 4.782 11.190 ( 4.171 1.673 -1.637) 4.782 12.190 ( -0.610 -1.188 0.427) 1.402 12.190 ( -0.610 1.189 0.427) 1.403 13.029 ( 1.557 -0.844 -3.832) 4.221 13.029 ( 1.557 0.844 -3.832) 4.221 13.506 ( -1.523 -0.474 1.810) 2.412 13.506 ( -1.523 0.474 1.810) 2.412 15.688 ( -1.428 -1.208 5.254) 5.577 15.688 ( -1.428 1.208 5.254) 5.577 16.238 ( -1.028 -7.859 10.685) 13.303 16.238 ( -1.028 7.859 10.685) 13.303 16.598 ( -5.670 -12.733 -9.570) 16.907 16.598 ( -5.670 12.733 -9.570) 16.907 17.010 ( -1.103 -4.189 -5.189) 6.759 17.010 ( -1.103 4.189 -5.189) 6.759 17.849 ( -0.864 -10.099 -2.905) 10.544 17.849 ( -0.864 10.099 -2.905) 10.544 18.184 ( 8.485 -14.415 4.154) 17.235 18.184 ( 8.485 14.415 4.154) 17.235 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 12.518 -7.737 -1.935) 14.843 1.791 ( 12.518 7.737 -1.935) 14.843 2.355 ( -3.149 -4.254 -0.820) 5.356 2.355 ( -3.149 4.254 -0.820) 5.356 2.442 ( -2.480 -8.013 -1.106) 8.461 2.442 ( -2.480 8.013 -1.106) 8.461 2.710 ( 1.846 -9.398 -0.607) 9.597 2.710 ( 1.846 9.398 -0.607) 9.597 2.989 ( 1.581 -3.038 1.734) 3.839 2.989 ( 1.581 3.038 1.734) 3.839 3.601 ( -5.625 -4.520 7.553) 10.445 3.601 ( -5.625 4.520 7.553) 10.446 3.872 ( 0.423 -6.263 -6.869) 9.305 3.872 ( 0.423 6.263 -6.869) 9.305 4.095 ( 6.034 -4.866 -0.771) 7.789 4.095 ( 6.034 4.866 -0.771) 7.789 4.292 ( 3.735 -6.415 -0.236) 7.427 4.292 ( 3.735 6.415 -0.236) 7.427 5.410 ( 6.059 -2.547 0.469) 6.590 5.410 ( 6.059 2.547 0.469) 6.590 6.387 ( 2.168 -3.303 -1.510) 4.229 6.387 ( 2.168 3.303 -1.510) 4.230 6.870 ( -4.702 -4.049 2.542) 6.706 6.870 ( -4.702 4.050 2.542) 6.706 7.621 ( -0.493 -3.516 3.725) 5.146 7.621 ( -0.493 3.516 3.725) 5.146 7.817 ( 1.716 -6.799 3.753) 7.953 7.817 ( 1.716 6.799 3.753) 7.953 7.985 ( 2.032 -3.305 -10.682) 11.364 7.985 ( 2.032 3.305 -10.682) 11.365 9.073 ( -3.879 -2.128 1.679) 4.732 9.073 ( -3.879 2.128 1.679) 4.732 9.846 ( -7.243 -1.586 -2.057) 7.695 9.846 ( -7.243 1.587 -2.057) 7.695 10.322 ( -5.932 -4.907 2.871) 8.217 10.322 ( -5.932 4.908 2.871) 8.217 10.572 ( 4.298 -4.021 -2.039) 6.229 10.572 ( 4.298 4.021 -2.039) 6.229 10.685 ( -6.420 -1.956 2.829) 7.283 10.685 ( -6.420 1.956 2.829) 7.283 11.267 ( 6.824 -3.591 -1.647) 7.885 11.267 ( 6.824 3.591 -1.647) 7.885 12.164 ( -2.542 -2.712 -0.217) 3.723 12.164 ( -2.542 2.712 -0.217) 3.723 13.042 ( 3.553 -2.244 -1.345) 4.412 13.042 ( 3.553 2.244 -1.345) 4.412 13.491 ( -2.301 -5.366 1.275) 5.976 13.491 ( -2.301 5.366 1.275) 5.976 15.728 ( -0.607 -1.916 4.228) 4.682 15.728 ( -0.607 1.916 4.228) 4.682 16.135 ( -14.667 -12.165 -1.608) 19.123 16.135 ( -14.667 12.165 -1.608) 19.123 16.541 ( 1.010 -3.756 1.225) 4.078 16.541 ( 1.010 3.756 1.225) 4.078 16.971 ( -0.714 -9.870 2.688) 10.254 16.971 ( -0.714 9.870 2.688) 10.254 17.675 ( -6.845 -12.831 -8.901) 17.050 17.675 ( -6.845 12.831 -8.901) 17.050 18.490 ( 17.746 -24.423 3.484) 30.390 18.490 ( 17.746 24.423 3.484) 30.390 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 6.190 -6.871 -2.425) 9.561 1.953 ( 6.190 6.871 -2.425) 9.561 2.154 ( -7.323 -6.327 -6.308) 11.552 2.154 ( -7.323 6.327 -6.308) 11.552 2.518 ( 6.472 -8.756 -0.111) 10.889 2.518 ( 6.472 8.756 -0.111) 10.889 2.750 ( 3.695 -10.903 0.463) 11.522 2.750 ( 3.695 10.903 0.463) 11.522 3.055 ( 2.481 -4.675 3.469) 6.328 3.055 ( 2.481 4.675 3.469) 6.329 3.511 ( -4.615 -3.092 -5.865) 8.078 3.511 ( -4.615 3.092 -5.865) 8.078 3.861 ( -0.822 -7.236 5.703) 9.250 3.861 ( -0.822 7.237 5.703) 9.250 4.236 ( 6.179 -7.851 5.497) 11.403 4.236 ( 6.179 7.851 5.497) 11.403 4.353 ( 3.826 -10.261 -1.261) 11.024 4.353 ( 3.826 10.261 -1.261) 11.024 5.536 ( 9.011 -3.327 -1.521) 9.725 5.536 ( 9.011 3.327 -1.521) 9.725 6.400 ( 2.586 -8.102 -2.288) 8.807 6.400 ( 2.586 8.102 -2.288) 8.807 6.838 ( -2.546 -2.896 2.578) 4.639 6.838 ( -2.546 2.896 2.578) 4.639 7.655 ( -0.129 -2.973 1.902) 3.532 7.655 ( -0.129 2.973 1.902) 3.532 7.809 ( 0.258 -6.899 -6.904) 9.764 7.809 ( 0.258 6.900 -6.904) 9.764 7.974 ( 0.062 -3.504 4.337) 5.576 7.974 ( 0.062 3.504 4.337) 5.576 9.030 ( -6.732 -2.971 5.487) 9.180 9.030 ( -6.733 2.972 5.487) 9.180 9.686 ( -5.564 -3.660 -4.149) 7.846 9.686 ( -5.564 3.660 -4.149) 7.846 10.195 ( -6.473 -3.481 -5.082) 8.936 10.195 ( -6.473 3.482 -5.082) 8.936 10.497 ( -7.622 -5.683 -2.115) 9.740 10.497 ( -7.622 5.683 -2.115) 9.740 10.739 ( 2.115 -2.936 6.587) 7.516 10.739 ( 2.115 2.937 6.587) 7.516 11.374 ( 7.980 -3.237 -1.329) 8.714 11.374 ( 7.980 3.237 -1.329) 8.714 12.109 ( -3.636 -5.365 0.051) 6.481 12.109 ( -3.636 5.366 0.051) 6.481 13.110 ( 4.506 -3.904 0.686) 6.002 13.110 ( 4.506 3.905 0.686) 6.002 13.466 ( -1.781 -8.316 0.911) 8.553 13.466 ( -1.781 8.316 0.911) 8.553 15.691 ( -7.829 -4.327 -3.992) 9.796 15.691 ( -7.830 4.327 -3.992) 9.796 15.922 ( -8.994 -10.526 6.303) 15.212 15.922 ( -8.994 10.526 6.303) 15.212 16.496 ( -2.618 -2.089 -6.441) 7.260 16.496 ( -2.618 2.089 -6.441) 7.260 17.060 ( -1.186 -14.007 11.315) 18.045 17.060 ( -1.186 14.007 11.315) 18.045 17.489 ( -1.360 -5.348 -8.531) 10.160 17.489 ( -1.360 5.348 -8.531) 10.160 18.797 ( 15.699 -25.298 0.495) 29.777 18.797 ( 15.699 25.298 0.495) 29.777 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -6.718 -9.250 -3.998) 12.111 1.856 ( -6.718 9.250 -3.998) 12.111 2.113 ( 1.932 -13.451 -0.103) 13.589 2.113 ( 1.932 13.451 -0.103) 13.589 2.592 ( 4.681 -9.268 -5.041) 11.542 2.592 ( 4.681 9.268 -5.041) 11.542 2.836 ( 6.107 -9.049 -1.084) 10.971 2.836 ( 6.107 9.049 -1.084) 10.971 3.137 ( 2.920 -5.705 0.675) 6.444 3.137 ( 2.920 5.706 0.675) 6.445 3.385 ( -2.182 -5.952 -2.624) 6.861 3.385 ( -2.182 5.952 -2.624) 6.861 3.959 ( 0.404 -5.447 11.575) 12.800 3.959 ( 0.403 5.448 11.575) 12.800 4.372 ( 1.441 -10.579 -2.253) 10.911 4.372 ( 1.441 10.578 -2.252) 10.911 4.400 ( 4.940 -6.043 5.567) 9.587 4.400 ( 4.940 6.044 5.567) 9.588 5.652 ( 8.493 -2.997 -4.643) 10.133 5.652 ( 8.493 2.997 -4.643) 10.133 6.428 ( 1.556 -9.916 0.391) 10.045 6.428 ( 1.556 9.916 0.391) 10.045 6.849 ( 3.296 -2.137 -1.360) 4.157 6.849 ( 3.296 2.137 -1.361) 4.157 7.615 ( -1.727 -1.320 -4.965) 5.420 7.615 ( -1.727 1.320 -4.965) 5.420 7.788 ( 1.755 -5.542 0.768) 5.863 7.788 ( 1.755 5.542 0.768) 5.863 7.995 ( -5.474 -2.808 5.596) 8.316 7.995 ( -5.474 2.808 5.596) 8.316 8.949 ( -10.614 -3.055 6.670) 12.903 8.949 ( -10.614 3.055 6.670) 12.903 9.631 ( 2.599 -4.150 -0.897) 4.978 9.631 ( 2.599 4.150 -0.896) 4.978 10.013 ( -6.133 -2.067 -7.986) 10.279 10.013 ( -6.133 2.067 -7.986) 10.279 10.344 ( -7.361 -4.525 -1.596) 8.786 10.344 ( -7.361 4.525 -1.596) 8.786 10.814 ( -0.564 -1.652 3.812) 4.193 10.814 ( -0.564 1.652 3.812) 4.193 11.508 ( 8.873 -2.360 0.233) 9.184 11.508 ( 8.873 2.360 0.233) 9.184 12.049 ( -4.180 -6.569 0.755) 7.823 12.049 ( -4.180 6.570 0.755) 7.823 13.173 ( 1.472 -6.170 -0.324) 6.351 13.173 ( 1.472 6.170 -0.324) 6.352 13.478 ( 1.881 -7.221 2.405) 7.840 13.478 ( 1.881 7.221 2.405) 7.840 15.450 ( -11.755 -7.279 -4.502) 14.541 15.450 ( -11.755 7.279 -4.502) 14.541 15.919 ( -5.113 -8.869 9.382) 13.886 15.919 ( -5.113 8.869 9.382) 13.886 16.359 ( -0.969 -5.113 -11.113) 12.271 16.359 ( -0.969 5.113 -11.113) 12.271 17.036 ( -7.200 -8.541 -2.609) 11.472 17.036 ( -7.200 8.541 -2.609) 11.472 17.542 ( 6.573 -7.456 8.503) 13.080 17.542 ( 6.573 7.456 8.503) 13.080 19.012 ( 11.154 -24.560 -2.559) 27.096 19.012 ( 11.154 24.560 -2.559) 27.096 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 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 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -1.572 -7.757 0.696) 7.945 1.764 ( -1.572 7.758 0.696) 7.946 2.151 ( 1.072 -13.211 2.812) 13.550 2.151 ( 1.072 13.212 2.812) 13.550 2.550 ( 0.589 -12.332 -9.460) 15.554 2.550 ( 0.589 12.332 -9.460) 15.554 2.890 ( 3.388 -7.296 -4.918) 9.428 2.890 ( 3.388 7.296 -4.918) 9.428 3.130 ( -0.672 -3.606 -1.575) 3.992 3.130 ( -0.672 3.607 -1.575) 3.993 3.417 ( 2.254 -11.115 3.753) 11.946 3.417 ( 2.254 11.115 3.753) 11.946 4.109 ( 0.800 -1.225 11.900) 11.990 4.109 ( 0.800 1.225 11.900) 11.990 4.345 ( -0.145 -8.941 -2.669) 9.332 4.345 ( -0.145 8.941 -2.669) 9.332 4.537 ( 2.974 -3.459 6.173) 7.676 4.537 ( 2.974 3.459 6.173) 7.676 5.705 ( 5.429 -2.304 -6.674) 8.907 5.705 ( 5.429 2.305 -6.674) 8.907 6.434 ( -1.771 -6.512 0.565) 6.772 6.434 ( -1.771 6.512 0.565) 6.772 6.915 ( 8.176 -4.057 -4.965) 10.390 6.915 ( 8.176 4.057 -4.965) 10.390 7.555 ( 0.147 -1.450 -2.110) 2.565 7.555 ( 0.147 1.451 -2.110) 2.565 7.825 ( -1.921 -4.209 2.097) 5.080 7.825 ( -1.921 4.210 2.097) 5.080 7.920 ( -6.338 -1.237 2.773) 7.028 7.920 ( -6.338 1.237 2.773) 7.028 8.889 ( -6.138 -1.922 10.077) 11.954 8.889 ( -6.138 1.923 10.077) 11.954 9.678 ( 1.813 -2.680 -2.971) 4.393 9.678 ( 1.813 2.680 -2.971) 4.393 9.839 ( -3.289 -2.813 -6.710) 7.985 9.839 ( -3.289 2.813 -6.710) 7.985 10.252 ( -1.869 -5.728 0.780) 6.075 10.252 ( -1.869 5.728 0.780) 6.075 10.810 ( -2.462 -1.330 0.722) 2.890 10.810 ( -2.462 1.330 0.722) 2.890 11.672 ( 8.925 -2.125 2.264) 9.450 11.672 ( 8.925 2.125 2.264) 9.450 11.980 ( -5.336 -6.898 0.657) 8.746 11.980 ( -5.336 6.899 0.657) 8.746 13.144 ( -1.890 -6.562 -2.862) 7.404 13.144 ( -1.890 6.562 -2.862) 7.404 13.576 ( 3.970 -3.863 4.396) 7.072 13.576 ( 3.970 3.863 4.396) 7.072 15.248 ( -7.509 -8.051 -1.903) 11.173 15.248 ( -7.509 8.052 -1.903) 11.173 15.933 ( -4.948 -6.400 8.362) 11.634 15.933 ( -4.948 6.400 8.362) 11.634 16.227 ( 1.078 -5.588 -12.605) 13.830 16.227 ( 1.078 5.588 -12.605) 13.830 16.865 ( -5.117 -3.585 -6.689) 9.153 16.865 ( -5.117 3.585 -6.689) 9.153 17.786 ( 5.737 -9.960 13.716) 17.895 17.786 ( 5.737 9.960 13.716) 17.895 19.107 ( 5.286 -22.142 -4.927) 23.292 19.107 ( 5.286 22.142 -4.927) 23.292 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 20.051 0.000 -20.041) 28.349 1.391 ( -20.011 0.000 20.043) 28.322 1.630 ( 3.597 0.000 -19.992) 20.313 1.630 ( -3.591 0.000 19.984) 20.304 2.215 ( 2.282 0.000 -5.586) 6.035 2.215 ( -2.281 0.000 5.586) 6.033 3.040 ( -2.476 0.000 4.262) 4.929 3.042 ( 2.468 0.000 -4.213) 4.883 3.148 ( -1.014 0.000 -10.292) 10.341 3.148 ( 1.014 0.000 10.304) 10.353 3.818 ( -0.391 0.000 -7.464) 7.474 3.818 ( 0.390 0.000 7.461) 7.472 4.018 ( -0.626 0.000 -3.337) 3.395 4.018 ( 0.622 0.000 3.341) 3.398 4.346 ( -3.831 0.000 0.616) 3.880 4.346 ( 3.831 0.000 -0.615) 3.880 4.731 ( 2.440 0.000 -8.058) 8.419 4.731 ( -2.439 0.000 8.060) 8.421 6.134 ( -2.382 0.000 6.608) 7.025 6.135 ( 2.379 0.000 -6.595) 7.011 6.645 ( -13.185 0.000 4.686) 13.993 6.646 ( 13.148 0.000 -4.708) 13.965 7.033 ( -3.434 0.000 -0.795) 3.525 7.033 ( 3.478 0.000 0.802) 3.569 7.445 ( -1.564 0.000 -6.870) 7.046 7.445 ( 1.566 0.000 6.869) 7.046 8.021 ( -2.750 0.000 -2.602) 3.786 8.021 ( 2.742 0.000 2.603) 3.781 8.409 ( 10.205 0.000 -3.657) 10.840 8.409 ( -10.208 0.000 3.660) 10.844 9.158 ( -3.023 0.000 -0.094) 3.024 9.158 ( 3.024 0.000 0.097) 3.026 9.423 ( -2.765 0.000 3.836) 4.729 9.423 ( 2.758 0.000 -3.837) 4.725 9.632 ( -6.554 0.000 11.923) 13.605 9.632 ( 6.550 0.000 -11.913) 13.596 10.028 ( -2.347 0.000 -7.632) 7.985 10.028 ( 2.350 0.000 7.633) 7.987 10.580 ( 7.333 0.000 3.444) 8.101 10.580 ( -7.332 0.000 -3.441) 8.100 11.844 ( -4.868 0.000 -10.185) 11.289 11.844 ( 4.870 0.000 10.195) 11.298 12.269 ( 0.695 0.000 -10.636) 10.659 12.269 ( -0.698 0.000 10.641) 10.664 12.482 ( 0.740 0.000 -7.165) 7.203 12.482 ( -0.739 0.000 7.171) 7.209 13.710 ( -8.370 0.000 6.678) 10.708 13.710 ( 8.372 0.000 -6.666) 10.702 15.087 ( 9.481 0.000 -18.843) 21.094 15.088 ( -9.497 0.000 18.873) 21.127 16.009 ( -2.450 0.000 -16.044) 16.230 16.012 ( 2.447 0.000 16.086) 16.271 16.555 ( -4.036 0.000 -4.192) 5.819 16.555 ( 4.064 0.000 4.192) 5.839 16.845 ( -2.083 0.000 7.514) 7.797 16.850 ( 2.076 0.000 -7.490) 7.773 16.994 ( -0.736 0.000 -2.633) 2.734 16.994 ( 0.728 0.000 2.649) 2.747 19.694 ( 0.689 0.000 25.503) 25.512 19.694 ( -0.692 0.000 -25.493) 25.503 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -11.460 0.000 20.133) 23.166 1.492 ( 9.448 0.000 -22.789) 24.670 1.529 ( 18.046 0.000 -17.736) 25.303 1.770 ( 6.881 0.000 -1.009) 6.954 2.114 ( -10.982 0.000 -1.884) 11.143 2.173 ( 0.505 0.000 3.342) 3.380 2.986 ( -1.163 0.000 -8.972) 9.047 3.013 ( -5.467 0.000 2.782) 6.134 3.072 ( 0.206 0.000 -3.031) 3.038 3.298 ( 0.788 0.000 11.089) 11.117 3.685 ( -4.381 0.000 -8.487) 9.551 3.871 ( -1.545 0.000 5.511) 5.723 3.982 ( -2.442 0.000 0.656) 2.529 4.083 ( -0.153 0.000 6.392) 6.394 4.306 ( -1.015 0.000 0.319) 1.064 4.392 ( 3.374 0.000 -2.894) 4.445 4.695 ( 4.453 0.000 -8.782) 9.846 4.796 ( 0.054 0.000 7.050) 7.050 6.054 ( -6.060 0.000 -5.026) 7.873 6.157 ( -8.097 0.000 11.649) 14.186 6.378 ( -17.558 0.000 3.723) 17.949 6.620 ( -4.775 0.000 -2.265) 5.285 7.071 ( 0.455 0.000 4.362) 4.386 7.275 ( 12.797 0.000 -0.180) 12.799 7.413 ( 10.111 0.000 -0.925) 10.154 7.536 ( -0.826 0.000 3.872) 3.959 7.998 ( 4.214 0.000 0.220) 4.219 8.064 ( -2.274 0.000 1.506) 2.728 8.336 ( -1.604 0.000 2.575) 3.034 8.545 ( 9.895 0.000 -3.798) 10.599 8.977 ( -11.427 0.000 -5.789) 12.809 9.072 ( -2.106 0.000 -11.696) 11.884 9.313 ( -5.073 0.000 -9.214) 10.518 9.346 ( -1.291 0.000 -8.349) 8.448 9.732 ( 10.729 0.000 -1.603) 10.848 9.753 ( 0.897 0.000 14.576) 14.604 10.029 ( 5.994 0.000 1.837) 6.269 10.160 ( -1.225 0.000 6.870) 6.978 10.426 ( -2.425 0.000 -4.712) 5.299 10.714 ( 5.829 0.000 0.943) 5.905 11.677 ( -5.014 0.000 -5.523) 7.460 12.046 ( 3.342 0.000 10.653) 11.165 12.164 ( 2.556 0.000 -12.492) 12.751 12.375 ( -3.266 0.000 -7.287) 7.985 12.377 ( 1.738 0.000 6.660) 6.883 12.516 ( -4.303 0.000 8.488) 9.516 13.629 ( -9.855 0.000 6.562) 11.840 13.751 ( 5.059 0.000 -6.162) 7.973 15.110 ( 14.893 0.000 -14.067) 20.486 15.213 ( -2.312 0.000 20.017) 20.150 15.786 ( -3.171 0.000 -13.061) 13.440 16.191 ( -3.578 0.000 17.320) 17.686 16.456 ( -1.786 0.000 -4.427) 4.774 16.632 ( 0.142 0.000 0.340) 0.369 16.801 ( 1.097 0.000 -6.393) 6.486 16.897 ( -2.167 0.000 8.001) 8.289 16.973 ( 2.058 0.000 -4.518) 4.964 17.133 ( 13.023 0.000 4.906) 13.917 19.346 ( -4.981 0.000 -27.280) 27.732 19.926 ( -5.138 0.000 21.957) 22.551 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -2.327 0.000 9.829) 10.101 1.444 ( 8.369 0.000 -10.891) 13.735 1.469 ( 6.692 0.000 -23.522) 24.455 1.922 ( -9.038 0.000 2.132) 9.286 1.950 ( 21.394 0.000 -10.028) 23.628 2.360 ( 4.160 0.000 18.924) 19.376 2.827 ( -3.733 0.000 -10.180) 10.843 2.928 ( -7.187 0.000 1.363) 7.315 3.019 ( -3.565 0.000 -2.284) 4.234 3.371 ( -4.666 0.000 4.502) 6.484 3.497 ( -7.385 0.000 -4.660) 8.732 3.895 ( -2.251 0.000 2.729) 3.538 3.948 ( -1.814 0.000 -0.114) 1.818 4.158 ( 3.149 0.000 3.829) 4.957 4.312 ( -0.041 0.000 1.035) 1.036 4.384 ( 0.853 0.000 -5.080) 5.151 4.678 ( 5.529 0.000 -9.197) 10.731 4.883 ( 1.494 0.000 5.399) 5.602 5.798 ( -15.657 0.000 -6.432) 16.927 6.017 ( -20.967 0.000 10.867) 23.615 6.311 ( -1.698 0.000 8.764) 8.927 6.568 ( -1.618 0.000 2.741) 3.183 7.090 ( -4.278 0.000 3.590) 5.584 7.320 ( 2.885 0.000 -2.802) 4.022 7.476 ( -5.986 0.000 -0.642) 6.020 7.765 ( 18.832 0.000 2.875) 19.050 7.997 ( -6.569 0.000 3.431) 7.411 8.178 ( 10.041 0.000 7.051) 12.269 8.371 ( 3.396 0.000 -1.781) 3.834 8.619 ( 2.344 0.000 -2.476) 3.409 8.695 ( -13.283 0.000 -6.090) 14.612 8.901 ( -0.460 0.000 -13.122) 13.130 9.204 ( 9.182 0.000 -11.385) 14.627 9.261 ( 1.035 0.000 -5.134) 5.238 9.816 ( 0.294 0.000 -5.115) 5.123 9.924 ( 0.630 0.000 11.375) 11.392 10.127 ( -2.153 0.000 3.228) 3.880 10.199 ( 10.214 0.000 2.201) 10.448 10.453 ( 5.430 0.000 -0.438) 5.448 10.816 ( 5.335 0.000 1.921) 5.671 11.524 ( -7.368 0.000 -3.886) 8.330 12.056 ( -1.268 0.000 -11.447) 11.517 12.146 ( -2.724 0.000 6.535) 7.080 12.263 ( 1.432 0.000 -5.980) 6.149 12.385 ( -5.434 0.000 0.029) 5.435 12.640 ( 4.662 0.000 11.551) 12.457 13.546 ( -8.598 0.000 6.849) 10.993 13.741 ( 1.753 0.000 -5.771) 6.031 15.225 ( 12.594 0.000 -9.526) 15.791 15.431 ( 2.533 0.000 17.205) 17.391 15.670 ( 5.073 0.000 -7.231) 8.833 16.297 ( -7.054 0.000 18.092) 19.418 16.392 ( -0.830 0.000 -3.188) 3.294 16.570 ( -5.964 0.000 -1.460) 6.140 16.742 ( 0.973 0.000 -6.692) 6.762 16.927 ( -3.744 0.000 3.124) 4.877 16.973 ( 4.512 0.000 -2.237) 5.036 17.503 ( 20.784 0.000 6.765) 21.857 18.941 ( -6.292 0.000 -26.751) 27.481 20.009 ( -11.256 0.000 17.285) 20.627 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 13.825 0.000 -18.753) 23.298 1.476 ( 11.034 0.000 -10.803) 15.442 1.544 ( -1.754 0.000 16.385) 16.479 1.888 ( -2.568 0.000 7.834) 8.244 2.163 ( 10.220 0.000 -2.936) 10.633 2.668 ( 5.794 0.000 17.431) 18.369 2.692 ( 0.803 0.000 -7.200) 7.245 2.817 ( -5.239 0.000 -0.239) 5.244 2.909 ( -6.760 0.000 -1.415) 6.906 3.176 ( -13.660 0.000 -4.929) 14.522 3.423 ( -3.637 0.000 3.124) 4.795 3.845 ( -2.047 0.000 -4.459) 4.907 3.927 ( 1.014 0.000 -1.945) 2.193 4.221 ( -2.790 0.000 1.286) 3.072 4.303 ( -2.137 0.000 -7.764) 8.053 4.343 ( 3.972 0.000 1.489) 4.242 4.675 ( 6.563 0.000 -9.068) 11.193 4.952 ( 1.055 0.000 2.593) 2.800 5.452 ( -15.759 0.000 -5.731) 16.768 5.791 ( -18.360 0.000 7.550) 19.852 6.413 ( -0.294 0.000 11.634) 11.637 6.602 ( -0.334 0.000 5.276) 5.287 6.995 ( -7.700 0.000 -1.520) 7.849 7.348 ( 1.586 0.000 0.382) 1.631 7.403 ( -3.274 0.000 2.488) 4.112 7.788 ( -8.022 0.000 -6.522) 10.339 8.085 ( 7.156 0.000 -1.541) 7.320 8.389 ( -2.353 0.000 0.820) 2.492 8.444 ( -0.876 0.000 2.294) 2.456 8.473 ( 9.902 0.000 5.556) 11.354 8.626 ( -0.558 0.000 1.681) 1.771 8.775 ( -0.282 0.000 -8.613) 8.617 9.244 ( 0.736 0.000 -3.963) 4.031 9.341 ( 16.510 0.000 -6.542) 17.759 9.707 ( 1.125 0.000 -7.745) 7.826 10.005 ( -2.654 0.000 6.025) 6.583 10.208 ( 3.143 0.000 5.626) 6.444 10.375 ( 9.052 0.000 -1.466) 9.170 10.535 ( 5.111 0.000 -0.728) 5.163 10.962 ( 8.177 0.000 4.498) 9.333 11.370 ( -6.185 0.000 -1.186) 6.297 11.864 ( -6.911 0.000 -7.746) 10.381 12.128 ( -5.520 0.000 3.456) 6.513 12.249 ( -8.498 0.000 -2.503) 8.859 12.305 ( 8.675 0.000 -3.532) 9.367 12.825 ( 3.781 0.000 6.267) 7.319 13.507 ( -5.663 0.000 7.504) 9.401 13.688 ( -0.150 0.000 -5.443) 5.445 15.283 ( 6.326 0.000 -6.171) 8.837 15.654 ( 4.150 0.000 11.353) 12.088 15.812 ( 14.790 0.000 -0.663) 14.805 16.339 ( -8.893 0.000 6.953) 11.288 16.364 ( 0.592 0.000 -0.461) 0.750 16.454 ( -9.511 0.000 10.775) 14.372 16.696 ( 2.520 0.000 -6.326) 6.809 16.873 ( -2.438 0.000 -2.548) 3.526 17.042 ( 3.597 0.000 0.943) 3.718 17.880 ( 13.737 0.000 2.026) 13.885 18.600 ( 1.503 0.000 -20.425) 20.481 19.941 ( -16.521 0.000 12.222) 20.551 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 1.416 0.000 0.328) 1.454 1.527 ( 19.528 0.000 -6.663) 20.633 1.785 ( 14.590 0.000 5.962) 15.761 2.000 ( 2.069 0.000 11.760) 11.940 2.149 ( -11.541 0.000 2.082) 11.728 2.668 ( -1.650 0.000 -2.481) 2.979 2.691 ( -4.762 0.000 -3.051) 5.656 2.809 ( -0.671 0.000 0.729) 0.991 2.882 ( -12.169 0.000 -1.537) 12.265 2.964 ( 2.766 0.000 7.223) 7.735 3.446 ( 2.975 0.000 5.175) 5.969 3.751 ( -0.425 0.000 -7.274) 7.287 3.944 ( 3.692 0.000 -3.510) 5.094 4.109 ( -8.502 0.000 -2.507) 8.864 4.147 ( -2.978 0.000 -9.436) 9.895 4.412 ( 0.213 0.000 0.916) 0.941 4.700 ( 7.768 0.000 -7.547) 10.830 4.958 ( -2.807 0.000 -0.645) 2.880 5.210 ( -6.286 0.000 -0.917) 6.353 5.575 ( -14.738 0.000 3.271) 15.096 6.565 ( 2.026 0.000 13.373) 13.526 6.659 ( -0.290 0.000 5.223) 5.231 6.848 ( -5.317 0.000 -3.541) 6.388 7.341 ( -6.079 0.000 0.495) 6.099 7.403 ( -2.175 0.000 4.417) 4.923 7.533 ( -4.664 0.000 -13.783) 14.551 8.143 ( 4.967 0.000 -2.522) 5.571 8.259 ( -4.505 0.000 -0.696) 4.558 8.535 ( 0.386 0.000 1.894) 1.933 8.646 ( 0.040 0.000 -4.926) 4.926 8.698 ( 1.098 0.000 9.533) 9.596 8.790 ( 6.800 0.000 9.844) 11.964 9.175 ( 1.379 0.000 -6.713) 6.853 9.514 ( 10.304 0.000 -6.043) 11.946 9.747 ( 9.170 0.000 -3.420) 9.787 9.982 ( -5.096 0.000 2.623) 5.731 10.318 ( 2.326 0.000 5.470) 5.944 10.452 ( 3.825 0.000 -3.222) 5.001 10.620 ( 5.861 0.000 0.373) 5.873 11.087 ( 1.703 0.000 -5.861) 6.103 11.373 ( 3.635 0.000 10.228) 10.855 11.715 ( -3.747 0.000 -0.715) 3.814 12.045 ( -7.134 0.000 0.436) 7.147 12.057 ( -8.984 0.000 -5.339) 10.451 12.449 ( 10.388 0.000 -0.153) 10.390 12.878 ( -2.338 0.000 0.931) 2.516 13.517 ( -3.007 0.000 6.712) 7.355 13.628 ( -0.036 0.000 -4.446) 4.446 15.350 ( 7.113 0.000 -0.766) 7.154 15.793 ( 2.040 0.000 1.995) 2.853 16.028 ( 9.773 0.000 -1.778) 9.934 16.177 ( -10.140 0.000 0.206) 10.142 16.432 ( 5.601 0.000 3.533) 6.622 16.493 ( -9.243 0.000 18.468) 20.652 16.693 ( 3.569 0.000 -2.985) 4.653 16.803 ( -1.253 0.000 -3.592) 3.804 17.098 ( 3.808 0.000 -0.931) 3.920 17.837 ( -7.390 0.000 -13.733) 15.595 18.693 ( 21.567 0.000 -3.064) 21.784 19.741 ( -20.341 0.000 7.345) 21.627 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 7.000 0.000 4.557) 8.353 1.783 ( 9.533 0.000 -8.183) 12.563 1.941 ( -9.194 0.000 9.912) 13.519 2.077 ( 1.449 0.000 2.117) 2.566 2.142 ( 14.839 0.000 -0.956) 14.870 2.464 ( -16.935 0.000 -2.861) 17.175 2.604 ( -3.643 0.000 7.875) 8.677 2.712 ( -4.103 0.000 -5.724) 7.042 2.903 ( 6.846 0.000 1.187) 6.948 3.002 ( -4.093 0.000 1.441) 4.339 3.645 ( 10.421 0.000 6.678) 12.377 3.711 ( 3.143 0.000 -1.861) 3.652 3.841 ( -4.769 0.000 -9.055) 10.234 3.903 ( -11.604 0.000 -3.433) 12.101 4.163 ( 9.246 0.000 0.763) 9.277 4.341 ( -7.379 0.000 -2.212) 7.703 4.764 ( 8.007 0.000 -4.878) 9.376 4.858 ( -7.470 0.000 1.318) 7.585 5.228 ( 5.651 0.000 1.308) 5.801 5.378 ( -10.831 0.000 0.065) 10.831 6.705 ( -0.263 0.000 3.969) 3.978 6.747 ( -0.141 0.000 -2.471) 2.475 6.795 ( 4.753 0.000 13.585) 14.392 7.091 ( -10.918 0.000 -12.291) 16.440 7.417 ( -2.049 0.000 4.337) 4.797 7.435 ( 2.080 0.000 -5.440) 5.824 8.199 ( 2.820 0.000 -0.356) 2.843 8.221 ( -1.034 0.000 0.547) 1.170 8.542 ( -1.839 0.000 3.134) 3.634 8.572 ( -0.283 0.000 -4.849) 4.857 8.814 ( -0.168 0.000 8.872) 8.873 8.887 ( 0.547 0.000 -4.030) 4.067 9.279 ( 8.616 0.000 8.079) 11.811 9.494 ( -1.970 0.000 -10.173) 10.362 9.862 ( 7.646 0.000 -3.022) 8.222 9.928 ( -5.007 0.000 3.178) 5.930 10.403 ( 1.002 0.000 4.511) 4.621 10.450 ( 0.749 0.000 -3.447) 3.528 10.753 ( 7.432 0.000 3.789) 8.342 10.942 ( -6.781 0.000 -7.291) 9.957 11.614 ( 8.928 0.000 8.898) 12.605 11.739 ( 3.997 0.000 4.149) 5.761 11.841 ( -8.325 0.000 -7.086) 10.932 11.899 ( -8.166 0.000 -3.250) 8.789 12.625 ( 9.720 0.000 1.032) 9.775 12.787 ( -7.507 0.000 -1.238) 7.608 13.549 ( -1.308 0.000 5.127) 5.291 13.586 ( 0.572 0.000 -4.127) 4.167 15.507 ( 8.756 0.000 4.601) 9.891 15.716 ( -6.704 0.000 -6.844) 9.581 16.094 ( 3.512 0.000 -4.010) 5.331 16.097 ( -3.779 0.000 5.357) 6.555 16.530 ( -6.096 0.000 11.200) 12.751 16.540 ( 4.544 0.000 -3.355) 5.648 16.739 ( 1.141 0.000 2.887) 3.104 16.769 ( 1.447 0.000 -3.442) 3.734 17.215 ( 8.416 0.000 6.282) 10.502 17.509 ( -10.906 0.000 -13.876) 17.648 19.068 ( 23.756 0.000 -0.816) 23.770 19.438 ( -22.704 0.000 3.221) 22.932 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -0.748 -1.288 2.357) 2.788 1.307 ( 0.777 -1.298 -2.371) 2.813 1.739 ( 4.744 5.766 -15.043) 16.794 1.740 ( -4.738 5.779 15.067) 16.818 2.395 ( 1.760 14.514 4.428) 15.276 2.395 ( -1.758 14.540 -4.430) 15.302 2.984 ( -2.568 -5.331 5.538) 8.104 2.985 ( 2.553 -5.378 -5.525) 8.122 3.111 ( -0.249 -2.287 6.903) 7.277 3.111 ( 0.255 -2.265 -6.865) 7.233 3.744 ( 0.662 -6.304 4.927) 8.028 3.744 ( -0.665 -6.295 -4.924) 8.020 4.074 ( -0.457 4.226 -2.476) 4.919 4.074 ( 0.453 4.227 2.478) 4.920 4.359 ( -0.762 0.434 -2.062) 2.240 4.359 ( 0.762 0.434 2.062) 2.241 4.693 ( 1.411 -2.779 -6.632) 7.328 4.693 ( -1.410 -2.780 6.635) 7.331 6.105 ( 0.273 -4.068 1.066) 4.214 6.106 ( -0.286 -4.048 -1.049) 4.191 6.632 ( -5.065 -1.734 4.226) 6.821 6.633 ( 5.058 -1.766 -4.242) 6.833 7.002 ( -9.516 -2.386 -2.319) 10.081 7.002 ( 9.543 -2.376 2.320) 10.104 7.522 ( -4.311 6.016 -4.298) 8.559 7.522 ( 4.312 6.017 4.299) 8.561 7.928 ( -2.392 -7.716 -1.499) 8.216 7.928 ( 2.387 -7.714 1.501) 8.213 8.324 ( -8.766 -6.810 1.330) 11.180 8.324 ( 8.764 -6.810 -1.328) 11.178 9.229 ( 1.320 4.194 -4.409) 6.227 9.229 ( -1.320 4.192 4.418) 6.232 9.427 ( -1.410 0.132 3.080) 3.390 9.427 ( 1.406 0.133 -3.091) 3.398 9.612 ( -5.430 -1.020 9.397) 10.901 9.613 ( 5.429 -1.028 -9.385) 10.891 10.099 ( -3.503 5.736 -11.572) 13.382 10.099 ( 3.502 5.734 11.573) 13.382 10.626 ( -5.093 3.366 -3.110) 6.851 10.626 ( 5.092 3.371 3.115) 6.856 11.802 ( -2.503 -2.853 -8.420) 9.236 11.803 ( 2.506 -2.859 8.431) 9.248 12.252 ( -1.267 -2.325 -7.847) 8.281 12.252 ( 1.265 -2.330 7.845) 8.281 12.545 ( -0.227 6.440 -1.060) 6.530 12.545 ( 0.227 6.437 1.069) 6.529 13.712 ( -1.415 0.030 1.950) 2.409 13.712 ( 1.413 0.043 -1.933) 2.395 15.086 ( 6.631 0.414 -10.933) 12.793 15.086 ( -6.636 0.398 10.958) 12.817 15.973 ( -1.940 -3.186 -14.756) 15.220 15.975 ( 1.944 -3.212 14.762) 15.232 16.516 ( 4.568 -3.324 5.281) 7.733 16.516 ( -4.589 -3.297 -5.231) 7.700 16.761 ( -1.693 -4.515 8.195) 9.509 16.764 ( 1.694 -4.613 -8.176) 9.539 17.204 ( -0.530 15.527 -0.752) 15.555 17.206 ( 0.549 15.562 0.747) 15.590 19.611 ( 0.659 -7.404 11.645) 13.815 19.611 ( -0.662 -7.399 -11.633) 13.803 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 1.100 -1.151 0.524) 1.676 1.362 ( 8.924 -0.968 -6.668) 11.182 1.624 ( 3.364 5.751 -8.868) 11.092 1.935 ( 6.519 3.694 6.600) 9.985 2.210 ( -7.901 14.121 -8.367) 18.217 2.381 ( -1.533 15.007 -2.103) 15.231 2.922 ( -1.097 -5.360 -7.512) 9.293 2.956 ( -5.901 -4.566 2.362) 7.826 3.088 ( 1.010 0.637 -0.460) 1.279 3.240 ( 1.112 -4.054 9.886) 10.742 3.607 ( -4.175 -6.686 -6.858) 10.448 3.850 ( 0.227 -3.451 6.632) 7.480 3.999 ( -4.261 1.994 -0.100) 4.705 4.113 ( -1.274 1.954 2.715) 3.580 4.327 ( 0.955 1.608 -2.746) 3.322 4.399 ( 1.794 0.442 -0.088) 1.850 4.657 ( 3.541 -3.219 -7.128) 8.586 4.757 ( 0.507 -3.051 5.967) 6.721 6.010 ( -6.704 -5.089 -3.454) 9.098 6.125 ( -8.784 -4.058 10.359) 14.175 6.444 ( -13.775 4.824 0.055) 14.596 6.600 ( -3.628 -1.580 0.970) 4.074 6.958 ( 2.136 -9.058 2.510) 9.639 7.297 ( 13.554 -0.362 2.489) 13.785 7.405 ( -4.231 1.857 0.309) 4.631 7.677 ( 7.664 8.647 1.315) 11.629 7.902 ( 4.003 -7.987 -0.161) 8.936 7.997 ( 1.955 -7.639 0.693) 7.915 8.191 ( -7.137 -6.656 0.960) 9.806 8.446 ( 7.790 -8.822 -3.105) 12.172 9.100 ( -3.987 2.884 -10.921) 11.979 9.159 ( -4.833 9.969 -3.139) 11.515 9.266 ( -1.769 -0.731 -12.636) 12.780 9.433 ( -2.104 4.233 -3.121) 5.665 9.721 ( 5.517 -1.799 9.898) 11.474 9.770 ( 6.145 0.802 5.352) 8.188 9.997 ( 4.054 0.080 -2.568) 4.799 10.225 ( -3.997 3.964 5.763) 8.056 10.542 ( 1.761 8.614 -2.241) 9.073 10.736 ( 5.261 1.506 0.571) 5.502 11.675 ( -3.814 0.841 -5.308) 6.590 11.930 ( 1.397 -8.176 6.778) 10.712 12.124 ( -2.596 -5.249 -8.032) 9.940 12.319 ( 0.126 -0.686 1.270) 1.449 12.510 ( 0.894 7.080 -2.453) 7.546 12.620 ( 0.394 9.547 8.621) 12.869 13.643 ( -8.725 0.858 4.827) 10.008 13.731 ( 3.324 -1.592 -4.978) 6.194 15.079 ( 10.885 -1.662 -11.081) 15.622 15.241 ( 2.066 2.214 16.092) 16.375 15.769 ( -2.886 -1.244 -10.728) 11.179 16.135 ( -3.949 -4.815 14.452) 15.736 16.411 ( -1.181 -3.044 -3.553) 4.826 16.621 ( -0.917 -3.049 4.868) 5.817 16.726 ( 5.084 -2.434 -9.229) 10.814 16.885 ( 5.959 -2.112 5.074) 8.107 17.172 ( 0.234 11.473 -0.827) 11.505 17.254 ( 2.999 14.522 2.916) 15.112 19.270 ( -5.201 -6.834 -26.430) 27.790 19.837 ( -5.015 -7.991 21.311) 23.306 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 10.385 -0.550 -15.101) 18.335 1.450 ( 4.030 1.616 1.971) 4.768 1.638 ( 5.100 8.848 -4.107) 11.008 1.903 ( -9.543 -0.121 1.225) 9.622 2.218 ( 14.958 19.150 -7.074) 25.308 2.409 ( 0.695 4.782 10.666) 11.710 2.789 ( -3.243 -3.581 -7.988) 9.335 2.869 ( -6.927 -4.387 1.864) 8.408 3.063 ( -3.607 3.206 -0.749) 4.883 3.322 ( -3.317 -4.384 6.689) 8.658 3.441 ( -7.106 -4.979 -5.840) 10.459 3.857 ( -4.558 -3.705 0.776) 5.925 3.977 ( -0.695 1.841 2.594) 3.256 4.113 ( 0.725 -3.672 0.187) 3.748 4.313 ( 1.335 -0.128 -4.311) 4.515 4.404 ( 0.064 1.822 -2.203) 2.860 4.655 ( 5.466 -2.138 -6.290) 8.602 4.836 ( 1.250 -4.127 5.009) 6.609 5.793 ( -13.700 -2.450 -4.145) 14.522 5.991 ( -19.120 -3.052 9.533) 21.582 6.331 ( -3.219 1.356 4.666) 5.828 6.591 ( -1.152 1.520 4.220) 4.631 7.025 ( -0.033 -5.910 3.782) 7.017 7.320 ( -1.373 -0.773 -1.462) 2.149 7.449 ( -0.590 -1.438 1.413) 2.101 7.793 ( 4.819 -2.933 -3.218) 6.494 7.982 ( -3.523 -0.915 3.146) 4.812 8.034 ( 3.672 -15.730 2.206) 16.303 8.213 ( 9.635 0.526 5.295) 11.007 8.495 ( 2.868 -9.410 -4.153) 10.678 8.912 ( -2.625 3.799 -10.901) 11.838 8.994 ( -6.090 13.178 -8.833) 16.994 9.184 ( 6.204 1.039 -8.663) 10.706 9.390 ( 4.202 7.830 -3.622) 9.596 9.852 ( 0.060 -0.310 -1.356) 1.392 9.927 ( 4.741 -0.062 9.829) 10.913 10.108 ( 0.837 -0.029 3.075) 3.188 10.193 ( 4.354 0.699 3.813) 5.830 10.607 ( 5.639 10.670 -1.891) 12.216 10.829 ( 5.265 0.815 1.381) 5.504 11.536 ( -6.964 1.292 -3.803) 8.039 11.979 ( -3.120 -5.454 -7.071) 9.459 11.994 ( -1.720 -10.946 3.033) 11.488 12.310 ( -1.081 1.528 -0.819) 2.044 12.495 ( -0.044 8.832 -1.588) 8.974 12.762 ( 4.188 10.201 8.461) 13.899 13.545 ( -8.233 -0.613 3.868) 9.117 13.718 ( 1.118 -1.596 -3.827) 4.294 15.153 ( 8.659 -3.924 -7.199) 11.924 15.489 ( 8.229 3.076 11.950) 14.832 15.696 ( 3.955 2.675 -2.112) 5.221 16.172 ( -6.309 -7.771 9.042) 13.489 16.405 ( 0.061 -0.213 3.368) 3.375 16.593 ( -5.885 -1.037 1.098) 6.076 16.705 ( 4.930 0.245 -10.096) 11.238 16.965 ( 0.313 1.418 1.598) 2.160 17.156 ( -2.826 15.795 -0.206) 16.047 17.490 ( 17.570 -0.009 6.749) 18.822 18.867 ( -6.915 -6.727 -26.074) 27.801 19.916 ( -11.091 -8.450 16.725) 21.774 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 16.042 3.414 -12.331) 20.519 1.511 ( 4.099 2.171 -4.157) 6.228 1.689 ( 0.936 10.557 8.184) 13.391 1.862 ( -2.864 -1.251 8.029) 8.616 2.351 ( 7.245 15.245 -4.171) 17.387 2.587 ( 4.797 -3.678 6.561) 8.921 2.696 ( -1.418 -2.538 -0.169) 2.912 2.782 ( -4.516 -1.941 1.149) 5.048 2.982 ( -4.040 5.985 0.935) 7.281 3.180 ( -12.520 -0.063 -4.658) 13.358 3.344 ( -3.593 -6.878 2.768) 8.239 3.785 ( -3.097 -6.130 -1.064) 6.950 3.950 ( 0.200 1.764 -5.534) 5.812 4.143 ( -0.135 -5.431 -0.706) 5.478 4.272 ( 0.567 -3.510 -4.001) 5.352 4.349 ( -1.100 0.938 -5.721) 5.901 4.696 ( 6.009 0.801 -4.155) 7.350 4.895 ( 0.357 -5.370 2.415) 5.899 5.499 ( -14.190 1.305 -4.271) 14.876 5.779 ( -16.873 -1.657 7.036) 18.357 6.375 ( -0.669 -2.986 8.062) 8.623 6.636 ( -0.300 1.987 5.091) 5.474 6.999 ( -5.380 -0.323 -0.098) 5.391 7.319 ( 1.300 -2.195 1.390) 2.905 7.437 ( -1.482 0.447 0.943) 1.813 7.680 ( -9.021 -8.499 -6.176) 13.848 7.970 ( 0.229 -7.965 -0.689) 7.998 8.152 ( 2.668 -13.689 8.155) 16.155 8.385 ( 1.006 -8.003 -2.175) 8.354 8.537 ( 6.393 6.539 0.454) 9.156 8.808 ( 1.793 5.294 -5.304) 7.705 8.875 ( 5.022 8.954 -4.257) 11.114 9.157 ( -1.551 0.435 -6.800) 6.988 9.511 ( 11.711 8.962 -1.109) 14.788 9.802 ( 1.199 3.403 -3.647) 5.131 10.063 ( 0.740 5.810 5.721) 8.188 10.182 ( 3.100 -2.495 6.688) 7.783 10.369 ( 8.623 -0.234 1.441) 8.746 10.649 ( 3.627 8.534 -3.996) 10.097 10.957 ( 7.111 -0.807 2.691) 7.645 11.375 ( -7.221 0.479 -2.230) 7.573 11.806 ( -6.874 -5.217 -5.164) 10.057 12.013 ( -1.267 -8.321 1.873) 8.623 12.245 ( -4.945 2.009 -2.367) 5.839 12.500 ( 3.560 11.924 -1.558) 12.541 12.903 ( 3.020 7.208 4.329) 8.934 13.473 ( -5.009 -3.108 3.393) 6.802 13.681 ( -0.929 -0.350 -3.019) 3.178 15.202 ( 6.005 -3.976 -3.974) 8.226 15.765 ( 10.268 4.466 8.186) 13.870 15.831 ( 8.993 4.452 3.902) 10.767 16.162 ( -3.871 -7.944 5.042) 10.174 16.439 ( -4.293 2.449 -1.254) 5.099 16.490 ( -5.612 0.646 9.002) 10.627 16.674 ( 4.529 -0.851 -8.636) 9.789 16.985 ( 1.986 0.378 -2.277) 3.045 17.082 ( -5.926 15.116 1.581) 16.313 17.853 ( 13.902 -2.444 3.179) 14.469 18.511 ( -0.328 -8.323 -20.691) 22.305 19.844 ( -16.378 -8.775 11.635) 21.923 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 1.397 -0.469 -0.988) 1.774 1.588 ( 18.297 6.486 -4.022) 19.825 1.845 ( 7.074 2.723 1.433) 7.714 1.965 ( -0.999 0.938 17.682) 17.735 2.318 ( -6.885 11.385 -0.432) 13.312 2.660 ( 0.137 0.045 -2.965) 2.969 2.696 ( -2.814 1.394 1.052) 3.312 2.743 ( 1.464 -4.777 3.572) 6.142 2.893 ( -13.067 1.934 -2.864) 13.516 3.023 ( 0.484 4.328 2.363) 4.955 3.363 ( 3.231 -6.955 4.032) 8.664 3.733 ( -1.480 -4.338 -0.762) 4.646 3.886 ( -0.048 -2.732 -8.693) 9.113 4.058 ( -1.046 -2.323 -5.397) 5.968 4.196 ( -5.338 1.400 -6.003) 8.154 4.306 ( 2.012 -7.264 -2.947) 8.093 4.744 ( 3.989 1.716 -2.830) 5.183 4.890 ( -2.397 -6.338 -0.725) 6.814 5.284 ( -6.345 3.197 -1.108) 7.191 5.583 ( -13.449 -0.148 3.126) 13.808 6.496 ( 2.494 -5.489 11.069) 12.604 6.684 ( 0.220 1.525 3.683) 3.992 6.888 ( -5.455 2.720 -1.810) 6.359 7.325 ( -7.680 -2.504 -6.283) 10.234 7.385 ( 2.088 -8.314 -3.696) 9.335 7.489 ( -6.260 4.045 3.114) 8.078 7.994 ( 2.318 -8.226 1.288) 8.643 8.206 ( -1.725 -10.522 -1.167) 10.726 8.409 ( 1.661 -13.805 7.092) 15.609 8.575 ( 1.258 6.851 -0.637) 6.994 8.774 ( 2.648 3.810 -6.936) 8.345 8.988 ( -5.566 -3.055 -9.761) 11.644 9.116 ( 12.313 11.775 10.880) 20.215 9.661 ( 7.210 7.848 -3.906) 11.350 9.858 ( 6.453 7.147 1.095) 9.692 10.100 ( -0.926 9.803 1.543) 9.967 10.311 ( 2.519 -1.842 6.610) 7.310 10.467 ( 3.921 0.983 -3.102) 5.095 10.668 ( 3.559 4.033 -1.427) 5.565 11.051 ( 1.311 -3.284 -5.339) 6.404 11.321 ( 1.748 -2.880 6.273) 7.120 11.675 ( -3.991 -3.246 -0.624) 5.182 11.976 ( -4.545 -5.940 0.047) 7.480 12.107 ( -6.255 4.289 -4.441) 8.789 12.582 ( 7.227 11.593 -0.329) 13.665 12.940 ( -1.592 6.203 0.126) 6.405 13.457 ( -1.285 -4.782 2.931) 5.754 13.620 ( -2.482 -0.717 -2.572) 3.646 15.300 ( 7.954 -1.897 1.286) 8.278 15.931 ( 0.962 5.421 -2.042) 5.872 16.008 ( 4.376 1.867 5.269) 7.099 16.151 ( -1.014 0.624 -0.026) 1.191 16.369 ( 0.313 -2.023 6.305) 6.629 16.572 ( -1.703 1.675 11.463) 11.710 16.676 ( 5.209 -1.144 -5.290) 7.512 16.910 ( -3.989 10.085 -6.932) 12.871 17.074 ( 0.943 2.390 4.175) 4.902 17.814 ( -7.913 -2.363 -13.831) 16.109 18.587 ( 21.177 -9.706 -2.264) 23.405 19.640 ( -20.198 -9.032 6.748) 23.132 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 6.420 -2.123 2.821) 7.327 1.757 ( -3.657 -3.031 -5.460) 7.237 1.940 ( 9.192 3.799 7.628) 12.534 2.129 ( -2.321 4.431 2.974) 5.819 2.281 ( 8.217 8.918 -0.476) 12.136 2.514 ( -12.432 2.413 -3.588) 13.162 2.641 ( -4.091 5.020 7.865) 10.188 2.725 ( -3.384 3.200 -3.594) 5.883 2.879 ( 6.954 -2.111 2.253) 7.609 2.994 ( -4.512 -0.730 -0.644) 4.616 3.509 ( 7.762 -8.388 2.310) 11.659 3.689 ( -7.795 -9.312 -5.882) 13.493 3.792 ( 5.052 3.679 3.378) 7.105 3.983 ( -6.796 3.014 -7.993) 10.917 4.123 ( 6.336 -3.602 1.307) 7.404 4.260 ( -4.018 -6.587 -3.458) 8.455 4.769 ( 3.452 -0.735 -2.734) 4.464 4.818 ( -4.778 -4.312 0.602) 6.464 5.276 ( 4.392 2.212 0.849) 4.991 5.406 ( -9.808 1.113 0.233) 9.874 6.685 ( 4.817 -4.902 7.018) 9.823 6.750 ( 1.196 -1.270 8.255) 8.437 6.794 ( -1.885 3.262 -1.328) 3.995 7.025 ( -9.346 -5.845 -14.142) 17.930 7.422 ( 3.204 -0.232 -1.085) 3.390 7.457 ( -3.862 3.418 3.266) 6.105 8.063 ( 2.931 -7.922 2.533) 8.819 8.140 ( -2.253 -8.061 -3.242) 8.976 8.539 ( 1.208 -14.787 9.365) 17.545 8.599 ( 0.588 -0.319 0.414) 0.786 8.743 ( 1.580 4.762 -4.056) 6.452 8.799 ( -3.712 -0.749 -7.849) 8.715 9.429 ( 9.099 11.633 11.134) 18.495 9.636 ( -1.911 9.870 -8.218) 12.985 9.984 ( 4.504 8.952 3.249) 10.535 10.070 ( -1.963 10.706 -2.422) 11.151 10.405 ( 0.981 -0.785 4.797) 4.958 10.456 ( 0.424 0.087 -3.858) 3.882 10.756 ( 5.885 0.178 2.871) 6.550 10.917 ( -6.187 -2.114 -6.396) 9.146 11.504 ( 8.260 -8.290 5.467) 12.916 11.637 ( -3.798 -7.171 1.048) 8.182 11.898 ( -1.572 2.274 -0.671) 2.844 11.960 ( -5.111 5.322 -3.916) 8.353 12.720 ( 8.173 10.130 1.226) 13.073 12.863 ( -6.071 8.056 -1.725) 10.234 13.488 ( 1.225 -4.953 2.474) 5.670 13.549 ( -2.568 -3.183 -2.360) 4.722 15.496 ( 10.184 0.263 6.194) 11.923 15.755 ( -9.783 1.668 -8.628) 13.151 16.108 ( 1.448 3.138 3.455) 4.887 16.142 ( -0.448 2.103 -0.449) 2.196 16.535 ( 7.292 3.484 5.794) 9.945 16.656 ( -4.369 4.812 8.281) 10.527 16.712 ( 2.537 -1.097 -1.223) 3.023 16.756 ( -2.293 4.162 -7.856) 9.181 17.200 ( 7.043 -0.615 7.769) 10.504 17.483 ( -10.545 -2.488 -13.863) 17.595 18.963 ( 23.380 -9.397 -0.230) 25.199 19.334 ( -22.454 -9.245 2.711) 24.433 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -4.376 10.773 6.641) 13.391 1.416 ( 4.364 10.764 -6.645) 13.381 1.870 ( 7.817 7.438 -4.213) 11.583 1.871 ( -7.794 7.434 4.232) 11.573 2.655 ( 9.495 5.248 1.568) 10.961 2.656 ( -9.499 5.263 -1.556) 10.971 2.843 ( -3.358 -5.974 3.213) 7.569 2.844 ( 3.371 -5.978 -3.182) 7.564 3.115 ( -4.475 3.959 -0.342) 5.985 3.115 ( 4.468 3.941 0.344) 5.967 3.568 ( 2.640 -9.694 6.034) 11.720 3.568 ( -2.641 -9.691 -6.027) 11.714 4.173 ( 0.309 4.779 -2.446) 5.377 4.173 ( -0.313 4.780 2.445) 5.378 4.343 ( -0.026 -1.533 -2.844) 3.231 4.343 ( 0.026 -1.535 2.844) 3.232 4.663 ( -0.861 0.428 -3.770) 3.890 4.663 ( 0.863 0.428 3.777) 3.897 5.941 ( -1.140 -10.830 -1.473) 10.989 5.942 ( 1.135 -10.827 1.492) 10.988 6.570 ( -2.594 -4.203 3.321) 5.952 6.570 ( 2.603 -4.220 -3.325) 5.970 6.952 ( -2.742 -2.108 -0.848) 3.561 6.952 ( 2.750 -2.109 0.840) 3.566 7.635 ( -11.100 2.679 -2.261) 11.640 7.635 ( 11.094 2.681 2.267) 11.636 7.761 ( 1.624 -5.719 -0.415) 5.960 7.761 ( -1.626 -5.724 0.418) 5.965 8.165 ( -4.225 -7.858 0.157) 8.923 8.165 ( 4.227 -7.858 -0.155) 8.924 9.259 ( -0.372 -0.982 4.383) 4.507 9.259 ( 0.363 -0.981 -4.365) 4.488 9.425 ( -1.072 -0.876 -0.254) 1.407 9.425 ( 1.078 -0.869 0.241) 1.406 9.630 ( 0.250 2.937 5.716) 6.431 9.630 ( -0.250 2.926 -5.710) 6.421 10.220 ( -3.466 5.027 -10.535) 12.176 10.220 ( 3.462 5.031 10.537) 12.179 10.697 ( 1.485 3.145 -1.139) 3.660 10.697 ( -1.488 3.149 1.145) 3.666 11.760 ( 1.237 -0.641 -4.050) 4.283 11.760 ( -1.235 -0.647 4.061) 4.294 12.160 ( 5.411 -6.093 4.362) 9.244 12.160 ( -5.414 -6.093 -4.360) 9.244 12.740 ( -0.663 11.014 -1.044) 11.083 12.740 ( 0.664 11.017 1.047) 11.087 13.711 ( 1.650 -0.071 -0.274) 1.675 13.711 ( -1.656 -0.065 0.297) 1.684 15.114 ( 4.835 2.077 -5.901) 7.907 15.115 ( -4.833 2.062 5.917) 7.914 15.900 ( -0.984 -2.941 -10.761) 11.199 15.901 ( 0.997 -2.973 10.734) 11.182 16.410 ( 0.783 -7.043 8.166) 10.812 16.411 ( -0.807 -7.054 -8.106) 10.775 16.691 ( -3.899 -1.891 7.954) 9.057 16.692 ( 3.897 -1.926 -7.938) 9.050 17.576 ( -1.994 18.828 -5.028) 19.590 17.578 ( 2.005 18.805 5.026) 19.568 19.406 ( 0.418 -11.567 -3.121) 11.988 19.406 ( -0.422 -11.561 3.141) 11.987 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 3.163 10.466 -3.932) 11.619 1.454 ( 7.160 8.918 -4.856) 12.424 1.781 ( -1.745 9.247 1.628) 9.550 2.001 ( 3.691 4.377 -0.216) 5.729 2.454 ( -8.989 7.125 1.158) 11.529 2.698 ( 0.487 3.614 -4.670) 5.925 2.801 ( -2.384 -4.890 -2.027) 5.806 2.889 ( -2.647 6.407 -1.135) 7.025 3.033 ( -1.382 -5.290 4.807) 7.281 3.223 ( 2.932 1.916 1.739) 3.910 3.428 ( -3.549 -9.391 -5.663) 11.526 3.717 ( 2.039 -8.346 8.038) 11.765 4.053 ( -7.082 2.599 -0.377) 7.554 4.159 ( -4.099 2.780 -1.646) 5.219 4.326 ( 2.115 -1.027 -5.424) 5.912 4.431 ( 5.148 1.302 2.878) 6.040 4.596 ( -0.862 -1.246 -5.090) 5.311 4.710 ( 0.510 -1.178 2.673) 2.965 5.847 ( -6.591 -9.523 -1.117) 11.635 5.962 ( -6.425 -10.946 6.767) 14.384 6.497 ( -6.483 -1.362 -3.621) 7.549 6.599 ( -3.765 2.182 5.156) 6.746 6.761 ( 0.223 -8.134 2.111) 8.406 7.214 ( 6.357 -8.435 2.966) 10.970 7.451 ( -7.236 1.656 0.714) 7.457 7.718 ( 0.414 -5.758 -4.465) 7.298 7.794 ( 3.249 -0.960 -0.329) 3.404 7.896 ( 13.226 1.383 3.102) 13.655 8.082 ( -4.481 -5.138 0.462) 6.833 8.233 ( 5.386 -10.200 -2.498) 11.802 9.105 ( -3.803 -1.133 -12.569) 13.180 9.206 ( 2.967 -1.491 -9.825) 10.371 9.396 ( -3.630 5.918 3.240) 7.661 9.519 ( 1.650 5.085 -1.365) 5.517 9.669 ( 5.544 -2.462 9.429) 11.212 9.784 ( 4.524 0.819 5.336) 7.044 10.060 ( 0.723 5.222 -6.494) 8.364 10.296 ( -4.528 2.620 3.397) 6.238 10.709 ( 4.397 6.016 0.909) 7.507 10.766 ( 4.446 1.674 -0.121) 4.752 11.701 ( -4.448 0.137 -1.954) 4.860 11.789 ( -0.230 -2.846 1.972) 3.470 11.985 ( -6.394 -7.069 -5.081) 10.801 12.272 ( 3.377 -4.265 0.896) 5.513 12.702 ( 1.730 11.031 -2.775) 11.506 12.860 ( 3.648 11.745 7.687) 14.503 13.644 ( -5.919 -0.848 -1.050) 6.071 13.706 ( -0.863 -0.628 -0.691) 1.272 15.075 ( 7.376 1.459 -8.759) 11.544 15.285 ( 5.060 1.364 11.386) 12.534 15.760 ( -1.946 1.292 -4.386) 4.970 16.029 ( -1.662 -4.348 8.817) 9.970 16.330 ( 0.963 -5.073 -3.270) 6.112 16.501 ( -0.400 -7.835 3.918) 8.769 16.696 ( 5.582 -0.923 -5.140) 7.644 16.829 ( 9.806 -2.770 6.412) 12.039 17.442 ( -5.852 15.059 -4.346) 16.731 17.652 ( 0.232 20.127 3.208) 20.382 19.086 ( -6.052 -9.831 -23.523) 26.203 19.610 ( -4.646 -13.168 18.962) 23.549 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 8.401 10.601 -7.936) 15.682 1.531 ( 6.721 6.563 -2.723) 9.781 1.838 ( 1.705 9.252 5.561) 10.928 1.936 ( -6.723 4.301 -1.024) 8.046 2.463 ( 0.091 5.170 7.493) 9.104 2.660 ( 1.272 1.694 -3.405) 4.010 2.717 ( 0.204 7.507 -7.843) 10.859 2.783 ( -6.787 -0.515 2.535) 7.263 3.084 ( -1.813 -3.087 4.708) 5.914 3.249 ( -2.078 -0.693 2.023) 2.982 3.306 ( -5.066 -7.061 -4.418) 9.749 3.746 ( -5.264 -7.194 -0.021) 8.914 3.994 ( -1.836 0.515 5.206) 5.544 4.060 ( -3.282 -0.599 -4.342) 5.475 4.285 ( 1.707 -1.918 -7.137) 7.585 4.459 ( -0.663 2.493 -6.904) 7.371 4.591 ( 4.490 -3.698 -0.071) 5.817 4.745 ( -0.062 -4.335 3.008) 5.277 5.695 ( -10.338 -6.084 -0.739) 12.018 5.869 ( -13.521 -8.452 6.989) 17.410 6.343 ( -5.663 -0.360 -0.986) 5.760 6.627 ( -0.926 2.020 5.885) 6.290 6.875 ( 5.278 -7.229 4.278) 9.920 7.194 ( -5.053 -13.502 -0.976) 14.449 7.443 ( -0.747 1.974 4.365) 4.849 7.663 ( -0.403 -4.749 -5.322) 7.144 7.801 ( -1.349 -5.884 -0.173) 6.039 7.986 ( -3.725 -1.471 1.678) 4.343 8.211 ( 9.654 -2.492 0.817) 10.003 8.306 ( 11.852 -6.913 -3.151) 14.078 8.931 ( -0.092 1.293 -10.011) 10.095 9.194 ( 7.801 1.095 -12.844) 15.067 9.288 ( -7.092 10.096 -0.773) 12.362 9.549 ( 3.314 6.627 -0.415) 7.422 9.853 ( 3.329 0.662 -0.521) 3.434 9.886 ( 4.363 -2.376 11.556) 12.579 10.153 ( 8.099 2.725 3.187) 9.120 10.237 ( -2.689 3.866 2.767) 5.462 10.804 ( 5.071 6.937 -1.724) 8.764 10.837 ( 4.729 0.033 0.064) 4.729 11.556 ( -8.351 -0.134 -3.869) 9.205 11.755 ( -6.370 -10.007 0.585) 11.877 11.899 ( 0.949 -1.386 -1.613) 2.328 12.303 ( 0.419 -2.464 -0.616) 2.574 12.720 ( 3.123 12.244 -1.610) 12.738 13.001 ( 3.328 11.065 5.716) 12.891 13.508 ( -7.466 -2.567 -1.914) 8.124 13.687 ( -0.419 -1.673 -0.533) 1.805 15.125 ( 6.608 1.661 -4.639) 8.243 15.514 ( 11.060 -0.744 5.482) 12.366 15.779 ( 2.228 4.950 6.596) 8.542 16.057 ( -1.909 -2.341 4.381) 5.322 16.366 ( 2.542 -3.599 2.787) 5.214 16.500 ( -0.994 -6.589 -0.909) 6.725 16.738 ( 5.565 1.520 -5.389) 7.894 17.045 ( 4.669 4.045 0.850) 6.236 17.357 ( 0.829 3.856 3.001) 4.956 17.674 ( 0.396 17.194 2.277) 17.349 18.693 ( -8.948 -8.497 -23.401) 26.455 19.671 ( -10.658 -14.460 14.713) 23.220 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 9.011 10.401 -5.080) 14.669 1.602 ( 6.635 6.787 -2.209) 9.745 1.865 ( -4.173 2.090 7.460) 8.799 1.916 ( -1.354 10.279 7.086) 12.558 2.520 ( 2.967 -0.524 0.294) 3.027 2.592 ( -6.219 -4.746 0.877) 7.872 2.724 ( 0.454 8.969 0.381) 8.988 2.763 ( 1.200 4.323 1.564) 4.751 3.107 ( 0.298 2.592 5.676) 6.247 3.143 ( -8.186 -3.345 -4.393) 9.874 3.200 ( -4.954 -2.426 -0.247) 5.522 3.633 ( -5.205 -7.892 -0.643) 9.475 3.952 ( -0.807 -1.382 -8.129) 8.285 4.047 ( 0.691 -2.613 2.619) 3.764 4.212 ( -0.746 -2.048 -7.850) 8.147 4.350 ( -0.785 -0.772 -8.875) 8.943 4.650 ( 2.304 -5.537 -0.170) 6.000 4.768 ( -0.944 -6.267 1.841) 6.600 5.497 ( -10.913 -1.244 -1.659) 11.108 5.708 ( -13.252 -5.072 5.354) 15.166 6.298 ( -1.448 -3.792 3.100) 5.108 6.677 ( 0.048 1.774 3.705) 4.109 6.964 ( 0.021 -2.611 1.582) 3.053 7.117 ( -1.832 -17.077 -1.383) 17.231 7.462 ( -2.147 4.464 1.698) 5.237 7.599 ( -2.721 -0.234 -0.102) 2.732 7.784 ( -0.393 -8.481 1.815) 8.682 7.959 ( -2.563 -5.594 3.200) 6.936 8.216 ( -0.117 -7.134 -4.896) 8.653 8.508 ( 10.390 -8.142 -6.837) 14.866 8.914 ( 5.739 7.681 -4.243) 10.486 9.085 ( 1.476 8.329 -8.637) 12.089 9.268 ( 0.240 7.792 -0.556) 7.815 9.626 ( 6.130 1.828 1.313) 6.530 9.916 ( 4.905 7.708 2.225) 9.403 10.090 ( 4.697 -3.382 9.958) 11.518 10.258 ( 2.669 9.157 3.841) 10.283 10.354 ( 7.989 -0.997 2.343) 8.385 10.817 ( 1.624 6.389 -5.134) 8.355 10.921 ( 4.886 -2.522 -0.684) 5.541 11.372 ( -8.608 -0.953 -2.369) 8.979 11.637 ( -6.745 -10.036 -0.475) 12.101 11.917 ( 1.329 0.218 -0.129) 1.353 12.275 ( -2.310 -0.099 -1.687) 2.862 12.767 ( 4.091 13.183 -0.589) 13.816 13.080 ( 1.075 8.209 1.709) 8.454 13.384 ( -4.371 -4.722 -1.491) 6.605 13.670 ( -1.178 -1.178 -0.976) 1.930 15.197 ( 6.133 3.895 -0.310) 7.272 15.771 ( 12.058 -2.198 2.824) 12.578 15.905 ( 0.602 0.318 10.152) 10.174 16.135 ( 5.673 5.008 5.502) 9.356 16.426 ( 0.552 -4.065 -2.608) 4.861 16.480 ( -0.614 -1.294 4.685) 4.899 16.721 ( 3.891 5.721 -11.940) 13.799 17.030 ( -2.309 4.812 1.964) 5.687 17.408 ( -4.922 10.762 2.436) 12.083 17.825 ( 11.895 1.731 5.345) 13.155 18.292 ( -6.930 -10.266 -21.150) 24.510 19.587 ( -15.833 -15.378 9.897) 24.190 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -1.175 2.529 -2.167) 3.531 1.794 ( 10.239 11.486 -0.634) 15.400 1.852 ( -1.341 0.517 4.348) 4.579 2.077 ( 4.078 7.410 14.883) 17.119 2.452 ( -5.535 -0.505 -2.637) 6.152 2.629 ( -0.088 -4.508 3.810) 5.903 2.706 ( -0.002 0.683 0.056) 0.685 2.774 ( -1.413 6.347 1.921) 6.780 2.962 ( -8.546 4.335 -0.130) 9.583 3.096 ( -4.064 -0.275 -3.786) 5.561 3.252 ( 7.142 1.709 4.555) 8.642 3.578 ( -3.287 -8.164 2.946) 9.281 3.859 ( 1.120 -0.747 -9.410) 9.505 4.016 ( -1.424 -1.556 -4.987) 5.415 4.141 ( 0.320 -5.037 -3.252) 6.004 4.225 ( -2.024 -1.141 -9.678) 9.953 4.667 ( -0.943 -10.258 1.191) 10.370 4.743 ( -2.320 -6.498 -1.206) 7.005 5.336 ( -5.606 1.830 -0.750) 5.944 5.552 ( -10.674 -2.743 2.340) 11.267 6.364 ( 2.323 -6.311 7.157) 9.821 6.706 ( 0.311 -0.620 1.030) 1.242 6.917 ( -3.973 -1.314 -1.899) 4.595 7.068 ( -2.288 -12.166 -4.663) 13.228 7.421 ( -0.781 6.037 -0.427) 6.102 7.578 ( -3.922 3.313 4.339) 6.722 7.838 ( 3.554 -6.531 1.494) 7.584 7.971 ( -2.131 -9.798 5.243) 11.315 8.164 ( -1.122 -9.390 -0.274) 9.461 8.495 ( 2.272 -11.813 -11.268) 16.483 8.900 ( 3.180 9.653 -7.457) 12.605 9.046 ( -2.268 5.445 -4.416) 7.368 9.392 ( 10.195 12.357 8.812) 18.283 9.760 ( 6.519 2.232 1.073) 6.974 10.053 ( 5.581 10.164 4.929) 12.600 10.252 ( 2.128 -3.100 8.146) 8.972 10.340 ( 3.090 11.980 0.586) 12.386 10.466 ( 4.064 -1.084 -1.576) 4.492 10.763 ( -0.294 4.290 -4.498) 6.223 10.954 ( 1.175 -5.709 -4.735) 7.509 11.258 ( -2.646 -2.791 1.907) 4.292 11.538 ( -5.510 -9.229 0.821) 10.780 11.935 ( 1.134 2.568 0.330) 2.827 12.192 ( -4.015 3.109 -3.199) 6.001 12.847 ( 5.089 11.871 1.076) 12.960 13.087 ( -0.446 6.473 -0.729) 6.529 13.336 ( -0.060 -5.918 -0.442) 5.935 13.609 ( -4.083 -0.263 -2.362) 4.724 15.338 ( 8.060 5.846 4.406) 10.889 15.864 ( -1.334 -4.885 0.655) 5.106 16.085 ( 6.067 0.715 5.278) 8.074 16.326 ( -6.310 1.487 -0.167) 6.485 16.344 ( 9.200 9.562 5.641) 14.419 16.561 ( 5.072 -1.176 1.810) 5.512 16.683 ( 6.385 2.449 -7.489) 10.142 17.045 ( -0.141 4.222 2.093) 4.715 17.283 ( -10.223 12.400 1.257) 16.119 17.786 ( -10.726 2.191 -13.774) 17.595 18.305 ( 20.478 -16.406 0.839) 26.253 19.374 ( -19.512 -15.928 5.166) 25.712 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 5.034 -0.699 0.462) 5.103 1.694 ( -10.176 -2.299 -0.601) 10.449 2.095 ( 12.610 9.793 4.547) 16.601 2.250 ( -1.399 6.745 4.290) 8.115 2.391 ( 2.867 1.042 -1.462) 3.383 2.517 ( -9.633 -1.600 -0.951) 9.812 2.769 ( 3.227 2.147 2.010) 4.366 2.821 ( 1.446 0.635 3.023) 3.411 2.889 ( -2.596 7.716 4.043) 9.090 2.981 ( -3.822 0.267 -4.795) 6.138 3.384 ( 5.712 -1.059 1.288) 5.951 3.521 ( -5.857 -4.895 -3.485) 8.391 3.837 ( 3.613 0.656 4.335) 5.681 3.996 ( 0.456 -1.930 -7.303) 7.568 4.046 ( -1.403 -2.764 -1.783) 3.576 4.120 ( -1.867 -5.715 -4.449) 7.479 4.657 ( -0.978 -10.718 1.388) 10.852 4.685 ( -1.913 -7.871 -1.729) 8.283 5.312 ( 2.495 1.300 0.629) 2.883 5.408 ( -7.665 -0.708 -0.113) 7.698 6.521 ( 4.926 -8.678 8.907) 13.376 6.683 ( -3.635 -8.048 -3.652) 9.556 6.852 ( 1.620 2.346 -1.790) 3.366 6.938 ( -5.393 -0.262 -4.134) 6.800 7.460 ( 4.119 3.906 0.768) 5.729 7.537 ( -5.119 3.896 1.744) 6.665 7.909 ( 3.407 -6.334 0.708) 7.227 7.966 ( -2.190 -7.701 -0.298) 8.012 8.219 ( 0.077 -13.741 11.121) 17.678 8.368 ( -0.582 -13.917 -12.820) 18.930 8.901 ( 3.622 9.212 -2.553) 10.223 8.957 ( -3.359 7.998 -1.785) 8.856 9.670 ( 8.698 10.418 8.636) 16.087 9.815 ( 0.043 6.634 -3.119) 7.331 10.191 ( 3.417 9.683 6.067) 11.927 10.297 ( -2.219 7.861 -2.501) 8.542 10.388 ( 3.137 1.771 1.333) 3.841 10.453 ( -1.572 -0.106 -2.661) 3.092 10.761 ( 2.793 0.427 1.093) 3.030 10.859 ( -3.944 -3.250 -4.902) 7.082 11.328 ( 5.698 -7.775 2.600) 9.983 11.448 ( -6.341 -9.659 -0.097) 11.555 11.982 ( 2.983 5.536 2.372) 6.721 12.080 ( -4.315 5.538 -3.819) 7.992 12.953 ( 4.872 8.813 2.336) 10.338 13.046 ( -2.778 6.734 -2.099) 7.580 13.376 ( 4.253 -4.044 1.328) 6.017 13.491 ( -5.993 -0.957 -2.716) 6.649 15.553 ( 9.044 5.027 7.447) 12.748 15.770 ( -6.524 -0.057 -5.888) 8.788 16.158 ( 2.434 0.240 -1.088) 2.677 16.206 ( -5.557 5.730 1.176) 8.068 16.615 ( 4.639 -2.280 13.061) 14.047 16.690 ( 10.425 1.827 -7.496) 12.970 16.730 ( 6.029 5.912 1.015) 8.504 16.960 ( -10.252 9.771 -4.507) 14.862 17.233 ( 0.790 4.834 8.511) 9.820 17.452 ( -9.271 2.197 -12.796) 15.954 18.691 ( 22.179 -16.041 1.711) 27.426 19.063 ( -21.543 -16.133 1.111) 26.937 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -1.148 12.380 -0.032) 12.433 1.683 ( 1.122 12.367 0.056) 12.418 2.057 ( 6.557 10.114 -0.775) 12.079 2.057 ( -6.541 10.101 0.777) 12.059 2.542 ( 0.592 -11.002 -5.169) 12.170 2.543 ( -0.567 -11.014 5.191) 12.189 2.792 ( -0.050 -1.647 1.698) 2.366 2.793 ( 0.041 -1.671 -1.689) 2.376 3.204 ( 0.311 0.048 -3.484) 3.498 3.204 ( -0.318 0.049 3.488) 3.503 3.426 ( 3.438 -0.780 8.440) 9.146 3.427 ( -3.437 -0.795 -8.435) 9.143 4.233 ( -5.124 0.581 -2.931) 5.932 4.233 ( 5.126 0.581 2.925) 5.930 4.356 ( -0.878 3.141 -2.238) 3.955 4.356 ( 0.875 3.141 2.244) 3.958 4.692 ( -0.909 1.671 -1.705) 2.554 4.692 ( 0.912 1.669 1.714) 2.560 5.707 ( -1.088 -9.767 -0.849) 9.865 5.708 ( 1.086 -9.792 0.869) 9.890 6.460 ( -0.860 -5.485 -1.442) 5.736 6.460 ( 0.862 -5.484 1.440) 5.735 6.923 ( 3.334 -0.589 1.636) 3.760 6.923 ( -3.310 -0.604 -1.644) 3.745 7.577 ( -4.304 -4.021 -0.415) 5.904 7.577 ( 4.300 -4.024 0.426) 5.905 7.762 ( -1.084 1.907 -1.562) 2.693 7.762 ( 1.073 1.906 1.567) 2.690 8.014 ( 1.930 -5.837 -1.114) 6.248 8.014 ( -1.929 -5.838 1.117) 6.249 9.236 ( 0.652 -0.550 -5.861) 5.923 9.236 ( -0.663 -0.547 5.879) 5.942 9.390 ( 1.193 -1.950 2.079) 3.091 9.390 ( -1.186 -1.957 -2.088) 3.098 9.701 ( -1.645 2.930 -3.415) 4.792 9.701 ( 1.645 2.933 3.417) 4.794 10.302 ( -1.901 2.781 -5.637) 6.567 10.302 ( 1.896 2.781 5.645) 6.573 10.749 ( 1.266 1.620 0.019) 2.056 10.749 ( -1.269 1.616 -0.017) 2.055 11.785 ( 2.422 3.006 -1.284) 4.069 11.785 ( -2.421 3.001 1.294) 4.067 12.017 ( 4.100 -6.996 1.079) 8.181 12.017 ( -4.102 -6.994 -1.074) 8.179 12.955 ( -1.055 8.279 -1.025) 8.409 12.955 ( 1.057 8.278 1.027) 8.408 13.709 ( 1.044 -0.068 0.188) 1.063 13.710 ( -1.047 -0.087 -0.168) 1.064 15.154 ( 2.466 1.295 -6.728) 7.282 15.154 ( -2.467 1.289 6.728) 7.281 15.885 ( 0.096 2.047 -5.937) 6.280 15.886 ( -0.091 2.010 5.932) 6.264 16.229 ( -1.321 -9.412 7.244) 11.950 16.230 ( 1.315 -9.432 -7.216) 11.948 16.675 ( -3.937 -0.061 4.357) 5.873 16.675 ( 3.927 -0.082 -4.338) 5.852 17.950 ( -1.964 15.404 -7.022) 17.042 17.951 ( 1.970 15.354 7.006) 16.992 19.155 ( -0.068 -11.256 -7.673) 13.623 19.155 ( 0.064 -11.260 7.712) 13.648 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.817 10.768 -5.467) 12.212 1.704 ( 3.739 11.889 -2.900) 12.796 1.996 ( -3.517 10.306 3.689) 11.497 2.127 ( 1.489 7.703 -2.114) 8.125 2.464 ( -2.761 -7.587 1.209) 8.164 2.594 ( 0.385 -7.863 3.081) 8.454 2.694 ( -5.557 -0.595 1.995) 5.934 2.906 ( -0.085 -5.442 6.152) 8.214 3.144 ( -2.313 1.134 -2.278) 3.438 3.240 ( 1.528 4.115 -1.339) 4.590 3.287 ( -2.112 -1.538 -6.217) 6.743 3.566 ( 1.559 -5.052 6.360) 8.270 4.113 ( -6.016 4.195 0.120) 7.336 4.241 ( -5.394 4.548 -3.536) 7.892 4.316 ( 2.231 -0.588 -5.822) 6.262 4.413 ( 2.877 -2.009 3.648) 5.062 4.621 ( -2.618 2.337 -5.378) 6.422 4.691 ( -1.026 -1.018 -1.307) 1.949 5.656 ( -5.015 -7.482 1.557) 9.141 5.718 ( -4.176 -10.569 4.607) 12.263 6.434 ( -1.361 -2.898 -1.198) 3.419 6.554 ( 6.397 -6.538 2.189) 9.405 6.727 ( -10.192 4.117 2.456) 11.263 6.998 ( -4.262 -9.763 1.877) 10.817 7.482 ( -2.788 1.608 1.147) 3.417 7.615 ( -0.364 -4.726 -1.133) 4.873 7.789 ( 1.968 1.580 -1.508) 2.940 7.925 ( 12.905 -1.935 0.856) 13.077 7.981 ( -0.291 -2.473 -0.110) 2.493 8.057 ( 6.346 -6.034 -2.830) 9.203 9.092 ( -2.133 0.374 -11.479) 11.682 9.165 ( 2.770 -2.206 -9.987) 10.596 9.458 ( 0.559 1.930 8.551) 8.784 9.571 ( 4.980 -1.965 8.267) 9.849 9.687 ( 1.998 4.511 1.237) 5.086 9.797 ( 3.507 -0.052 3.524) 4.972 10.184 ( -1.003 5.992 -5.632) 8.284 10.327 ( -2.425 0.034 0.843) 2.567 10.775 ( 3.098 1.665 0.659) 3.579 10.812 ( 4.626 1.268 0.908) 4.882 11.678 ( -7.781 -0.075 0.448) 7.794 11.798 ( -8.383 -2.032 -3.797) 9.424 11.885 ( 2.888 1.259 -1.087) 3.332 12.149 ( 5.574 -6.988 -0.096) 8.939 12.937 ( 2.199 10.279 -1.253) 10.586 13.060 ( 4.092 6.226 5.574) 9.304 13.628 ( -5.695 -0.090 -3.079) 6.475 13.689 ( -3.150 -1.353 -0.536) 3.470 15.133 ( 5.377 3.681 -4.410) 7.868 15.279 ( 5.442 -1.917 5.821) 8.196 15.849 ( -0.220 7.036 2.381) 7.431 15.978 ( 2.130 -0.173 4.233) 4.741 16.198 ( 3.842 -7.006 -3.968) 8.921 16.302 ( 3.127 -10.643 0.384) 11.100 16.694 ( 1.439 0.870 3.171) 3.589 16.775 ( 7.425 -2.380 5.161) 9.351 17.775 ( -6.611 15.593 -9.591) 19.464 18.014 ( -1.033 11.730 1.301) 11.847 18.913 ( -6.758 -4.357 -14.386) 16.480 19.302 ( -4.440 -15.568 14.378) 21.652 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.669 9.189 -3.873) 11.470 1.752 ( 3.981 11.881 -0.049) 12.530 1.960 ( -3.364 3.852 -1.464) 5.320 2.107 ( -3.520 8.974 4.722) 10.734 2.471 ( 1.159 -5.988 0.111) 6.100 2.619 ( -7.149 0.312 2.809) 7.688 2.667 ( 0.544 -2.324 6.928) 7.328 2.907 ( -4.543 -3.965 3.189) 6.822 3.079 ( -2.167 2.596 -2.338) 4.111 3.197 ( -2.098 0.043 -1.965) 2.875 3.266 ( 1.778 1.642 -0.591) 2.491 3.573 ( -4.483 -8.311 -0.760) 9.473 4.058 ( -4.477 5.941 5.190) 9.071 4.091 ( -5.029 3.858 -5.925) 8.676 4.256 ( 2.675 -0.874 -10.273) 10.652 4.468 ( -3.434 -2.840 -2.191) 4.966 4.525 ( 1.944 -1.517 -3.087) 3.951 4.641 ( -2.352 -5.601 -1.861) 6.353 5.575 ( -7.503 -4.487 2.555) 9.107 5.671 ( -8.113 -8.999 5.446) 13.284 6.344 ( -5.206 1.659 -2.675) 6.083 6.658 ( 0.362 -3.201 2.969) 4.381 6.729 ( 4.174 -4.174 4.516) 7.432 6.903 ( -6.232 -9.970 1.901) 11.911 7.493 ( -0.350 2.019 4.292) 4.756 7.593 ( 0.080 -3.060 -1.425) 3.376 7.750 ( -3.117 0.912 -1.984) 3.806 7.918 ( -3.221 -4.623 -0.510) 5.658 8.129 ( 6.562 -2.734 -5.108) 8.753 8.206 ( 15.250 -4.129 -3.658) 16.218 8.994 ( 3.937 4.228 -6.418) 8.636 9.168 ( 9.090 -2.897 -8.268) 12.624 9.470 ( -5.036 7.403 0.954) 9.005 9.646 ( -0.825 2.006 -0.017) 2.169 9.822 ( 5.502 -1.206 8.574) 10.259 9.892 ( 4.207 -0.072 4.796) 6.380 10.219 ( 7.033 4.227 0.893) 8.254 10.318 ( 1.176 2.399 2.607) 3.733 10.838 ( 3.809 0.670 -0.638) 3.919 10.887 ( 3.946 0.874 -1.458) 4.296 11.530 ( -9.066 -1.341 -2.060) 9.394 11.598 ( -9.712 -5.007 -1.518) 11.032 11.941 ( 3.698 4.809 -0.790) 6.118 12.210 ( 2.886 -6.012 -1.070) 6.754 12.980 ( 3.341 11.416 -0.540) 11.907 13.177 ( 2.635 4.551 3.466) 6.298 13.469 ( -7.612 -0.100 -4.184) 8.686 13.631 ( -2.139 -3.883 -0.411) 4.452 15.213 ( 6.550 6.182 0.081) 9.007 15.465 ( 10.041 -3.829 4.665) 11.715 15.900 ( -1.044 6.675 5.393) 8.645 16.069 ( 5.225 2.680 3.831) 7.012 16.256 ( 5.631 -6.487 -2.152) 8.856 16.346 ( 5.174 -7.506 -2.736) 9.519 16.784 ( 3.796 3.430 4.397) 6.746 17.022 ( 12.022 -5.408 7.429) 15.131 17.536 ( -8.584 12.611 -8.780) 17.601 17.944 ( -3.931 3.213 -6.089) 7.928 18.624 ( -11.029 5.899 -9.999) 16.013 19.323 ( -10.280 -18.288 11.208) 23.786 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.279 8.551 -0.906) 8.604 1.801 ( 4.906 11.356 0.997) 12.411 1.940 ( 0.550 3.340 5.620) 6.561 2.087 ( -4.767 4.636 5.866) 8.867 2.469 ( -2.738 -3.944 -1.417) 5.006 2.550 ( -1.647 2.385 1.637) 3.328 2.699 ( -2.672 -3.882 2.089) 5.155 2.887 ( -4.101 -3.650 3.755) 6.651 3.023 ( -1.882 0.132 -1.152) 2.210 3.150 ( -3.360 0.604 1.499) 3.728 3.303 ( 3.103 6.508 1.282) 7.323 3.474 ( -4.017 -6.574 -0.130) 7.705 3.956 ( -1.267 2.789 -8.429) 8.968 4.045 ( -2.920 2.217 2.542) 4.461 4.186 ( 0.612 0.269 -8.921) 8.946 4.334 ( -2.035 -0.181 -8.726) 8.962 4.508 ( -2.691 -6.893 -2.675) 7.869 4.597 ( -2.087 -10.595 0.479) 10.809 5.466 ( -7.980 -1.132 1.601) 8.217 5.580 ( -8.816 -6.332 4.151) 11.621 6.259 ( -2.776 1.309 0.617) 3.130 6.636 ( -3.926 -10.388 -0.647) 11.124 6.827 ( 2.628 -3.920 2.137) 5.181 6.907 ( 2.906 -2.712 1.703) 4.324 7.557 ( -0.324 2.475 7.163) 7.585 7.599 ( -0.042 -0.222 2.247) 2.258 7.675 ( -2.214 -0.317 -1.343) 2.609 7.858 ( -3.320 -4.718 -0.099) 5.770 8.117 ( 1.511 -1.531 -8.047) 8.329 8.315 ( 6.980 -8.925 -10.070) 15.159 9.067 ( 7.824 6.176 -3.485) 10.559 9.190 ( 4.098 1.557 -10.171) 11.076 9.447 ( 2.186 8.677 3.681) 9.676 9.638 ( 1.852 -0.100 2.813) 3.369 10.010 ( 5.164 -0.989 8.894) 10.331 10.054 ( 4.895 0.750 8.742) 10.047 10.363 ( 7.737 3.064 0.780) 8.359 10.430 ( 6.212 5.721 4.537) 9.587 10.867 ( 2.205 -1.844 -4.141) 5.041 10.894 ( 1.110 0.833 -4.795) 4.992 11.349 ( -9.136 -0.649 -1.497) 9.281 11.450 ( -7.559 -6.743 0.480) 10.141 11.988 ( 2.950 5.501 -0.439) 6.258 12.230 ( 1.048 -4.054 -1.150) 4.342 13.014 ( 1.237 9.083 -1.056) 9.227 13.209 ( -0.703 1.642 -0.411) 1.833 13.323 ( -3.631 2.286 -2.687) 5.063 13.614 ( -0.177 -4.508 -0.103) 4.513 15.348 ( 6.566 9.503 4.345) 12.341 15.697 ( 8.599 -4.872 5.392) 11.258 15.931 ( 1.038 3.037 3.840) 5.004 16.184 ( -0.795 -3.914 4.509) 6.023 16.355 ( 15.020 0.478 -5.783) 16.102 16.445 ( 6.403 -1.948 1.298) 6.818 16.891 ( 4.254 10.196 -0.103) 11.049 17.177 ( -1.751 7.264 -3.832) 8.397 17.434 ( 2.381 -4.116 6.393) 7.967 17.783 ( -0.643 -10.952 -10.652) 15.291 18.330 ( -13.843 16.549 -5.098) 22.169 19.212 ( -15.178 -19.910 7.141) 26.034 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -6.535 6.852 -2.135) 9.707 1.839 ( -10.074 -0.544 2.400) 10.370 2.068 ( 11.547 11.162 4.512) 16.681 2.218 ( 4.769 4.313 12.862) 14.380 2.390 ( -2.924 -2.181 -0.752) 3.725 2.565 ( 0.072 -0.186 0.007) 0.200 2.654 ( -2.021 -5.871 -1.440) 6.374 2.828 ( -5.146 -3.026 2.351) 6.416 2.988 ( -1.214 0.312 -1.258) 1.776 3.098 ( -2.891 1.026 -1.364) 3.357 3.425 ( 2.458 7.910 5.909) 10.175 3.470 ( 1.223 -0.044 7.142) 7.246 3.865 ( 2.163 2.282 -9.480) 9.988 4.009 ( -2.703 0.995 -2.359) 3.723 4.061 ( -1.806 -1.804 -7.346) 7.777 4.211 ( -1.579 0.499 -10.189) 10.322 4.423 ( -3.373 -11.521 -1.066) 12.052 4.544 ( -4.339 -12.221 -0.584) 12.982 5.364 ( -5.022 1.099 0.640) 5.181 5.477 ( -7.354 -4.091 1.621) 8.570 6.274 ( 0.892 -1.114 4.581) 4.798 6.559 ( -3.683 -11.959 -1.044) 12.556 6.874 ( 3.245 0.879 -2.250) 4.045 6.964 ( 1.352 -1.854 0.545) 2.359 7.570 ( -0.979 7.236 -1.519) 7.459 7.624 ( -2.357 1.399 5.886) 6.493 7.725 ( 3.183 -4.077 5.598) 7.622 7.814 ( -3.600 -5.636 3.434) 7.518 8.030 ( -0.911 -2.700 -6.771) 7.346 8.249 ( 1.688 -10.633 -13.077) 16.939 9.076 ( 2.693 6.330 -7.022) 9.831 9.139 ( -0.071 2.908 -4.756) 5.574 9.621 ( 9.721 9.081 7.153) 15.104 9.782 ( 7.040 0.073 5.156) 8.726 10.190 ( 3.879 -1.108 9.031) 9.891 10.221 ( 2.608 2.605 9.584) 10.269 10.463 ( 4.532 2.958 -2.603) 6.005 10.577 ( 5.216 9.418 1.542) 10.876 10.797 ( -1.317 -3.982 -7.189) 8.323 10.845 ( 0.220 -1.860 -5.437) 5.751 11.218 ( -5.178 -0.736 0.325) 5.240 11.351 ( -5.998 -7.502 1.360) 9.701 12.037 ( 2.912 6.087 0.858) 6.802 12.220 ( -0.488 -0.751 -1.537) 1.779 13.001 ( -0.418 3.118 -0.842) 3.256 13.153 ( -2.879 -3.445 -2.851) 5.318 13.318 ( 3.342 7.834 0.741) 8.549 13.595 ( -1.731 -1.940 -1.357) 2.933 15.520 ( 5.951 10.242 6.698) 13.608 15.787 ( -1.199 -2.572 2.208) 3.595 16.074 ( 6.564 -0.956 3.023) 7.290 16.225 ( 3.937 -6.967 5.958) 9.977 16.522 ( 0.069 3.112 -0.058) 3.113 16.572 ( 14.514 0.929 -5.061) 15.400 16.858 ( 2.573 14.764 -10.111) 18.078 17.161 ( 0.391 6.563 4.262) 7.835 17.379 ( -8.806 -1.938 -3.070) 9.525 17.857 ( 7.566 -14.451 -1.713) 16.402 18.087 ( -5.354 13.876 0.312) 14.876 18.985 ( -18.448 -20.632 2.890) 27.827 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 1.319 2.424 -0.591) 2.822 1.661 ( -10.366 -1.228 0.238) 10.442 2.312 ( 9.512 9.659 4.189) 14.189 2.361 ( 2.852 -0.225 0.795) 2.970 2.385 ( -1.899 1.103 3.919) 4.492 2.493 ( -6.505 2.688 -1.842) 7.276 2.702 ( 7.129 -5.703 1.707) 9.288 2.796 ( -3.436 -4.470 2.638) 6.225 2.956 ( 0.041 0.438 -0.782) 0.897 3.017 ( -3.600 -0.064 -3.482) 5.008 3.494 ( -1.673 9.168 10.711) 14.198 3.589 ( 2.861 11.237 -5.263) 12.734 3.824 ( 1.945 -1.702 3.347) 4.229 3.952 ( 0.823 -1.022 -3.796) 4.017 3.987 ( -0.144 -3.238 -5.738) 6.590 4.045 ( -4.546 -1.636 -6.535) 8.127 4.397 ( 0.663 -12.495 0.719) 12.533 4.455 ( -4.416 -12.766 -1.053) 13.549 5.330 ( 0.247 0.511 0.688) 0.892 5.381 ( -4.620 -1.793 -0.308) 4.965 6.372 ( 2.962 -4.510 5.938) 8.023 6.481 ( -3.243 -8.942 -3.339) 10.081 6.904 ( 3.827 2.380 -2.040) 4.947 6.953 ( -2.674 0.437 0.084) 2.711 7.568 ( 2.582 5.527 -0.970) 6.177 7.614 ( -3.947 3.250 1.993) 5.488 7.805 ( 1.757 -3.533 1.430) 4.197 7.835 ( -0.960 -4.400 2.776) 5.290 7.990 ( -1.186 -7.442 6.291) 9.816 8.108 ( 0.157 -10.405 -13.597) 17.122 9.062 ( 2.189 5.608 -2.533) 6.531 9.088 ( -1.413 4.221 -1.546) 4.712 9.849 ( 6.791 6.236 5.386) 10.678 9.911 ( 2.666 2.560 0.787) 3.779 10.320 ( 0.339 0.783 8.945) 8.986 10.372 ( 3.269 5.505 6.867) 9.389 10.442 ( -1.079 0.326 -3.832) 3.995 10.544 ( -1.529 6.135 -10.422) 12.190 10.770 ( 0.019 -0.543 2.961) 3.011 10.799 ( 1.251 -0.890 -4.619) 4.868 11.197 ( 1.943 -4.314 0.503) 4.758 11.266 ( -5.515 -7.150 0.499) 9.043 12.106 ( 2.967 5.625 2.348) 6.779 12.176 ( -2.086 3.131 -2.389) 4.457 13.010 ( 1.449 -1.374 1.189) 2.324 13.071 ( -2.828 -3.662 -2.776) 5.396 13.413 ( 5.220 6.419 2.237) 8.571 13.522 ( -4.236 2.341 -2.405) 5.404 15.671 ( 3.767 5.000 5.135) 8.097 15.759 ( -2.600 -0.764 -1.353) 3.029 16.184 ( 6.202 3.224 3.056) 7.628 16.350 ( -4.982 6.734 -3.455) 9.061 16.506 ( 3.546 -6.123 10.618) 12.759 16.657 ( 4.150 -3.616 -9.820) 11.258 16.891 ( 8.158 5.994 -2.214) 10.362 17.051 ( -8.955 -0.969 -5.399) 10.501 17.414 ( 6.894 13.718 9.029) 17.811 17.679 ( -12.418 16.484 -6.659) 21.686 18.319 ( 18.500 -17.696 3.955) 25.905 18.674 ( -19.749 -20.358 -0.984) 28.380 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.014 -0.010 0.021) 0.027 1.834 ( -0.014 0.012 0.021) 0.028 2.285 ( 0.077 -0.477 -0.169) 0.512 2.285 ( 0.076 0.475 -0.168) 0.509 2.297 ( -0.066 -0.476 0.167) 0.509 2.297 ( -0.066 0.479 0.168) 0.512 2.765 ( 0.005 -0.024 0.009) 0.026 2.765 ( 0.005 0.024 0.009) 0.026 3.172 ( -0.001 -0.001 0.008) 0.008 3.172 ( -0.001 0.001 0.008) 0.008 3.451 ( -0.003 -0.001 -0.004) 0.005 3.451 ( -0.003 0.002 -0.004) 0.005 4.237 ( 0.003 -0.002 -0.002) 0.004 4.237 ( 0.003 0.003 -0.002) 0.004 4.402 ( -0.001 -0.001 0.001) 0.002 4.402 ( -0.001 0.001 0.001) 0.002 4.713 ( 0.002 -0.001 0.005) 0.006 4.713 ( 0.002 0.001 0.005) 0.006 5.594 ( -0.003 -0.019 0.011) 0.022 5.594 ( -0.003 0.020 0.011) 0.023 6.391 ( -0.000 -0.001 -0.001) 0.001 6.391 ( -0.000 0.001 -0.001) 0.001 6.919 ( 0.018 -0.010 -0.005) 0.021 6.919 ( 0.018 0.010 -0.005) 0.021 7.534 ( -0.004 -0.005 0.007) 0.009 7.534 ( -0.004 0.006 0.006) 0.009 7.782 ( -0.005 -0.001 0.003) 0.006 7.782 ( -0.005 0.001 0.003) 0.006 7.948 ( -0.001 -0.002 0.002) 0.003 7.948 ( -0.001 0.002 0.002) 0.003 9.234 ( -0.004 -0.003 0.013) 0.014 9.234 ( -0.004 0.003 0.013) 0.014 9.365 ( 0.002 -0.006 -0.009) 0.011 9.365 ( 0.002 0.007 -0.009) 0.011 9.734 ( 0.000 -0.000 0.000) 0.001 9.734 ( 0.000 0.001 0.000) 0.001 10.333 ( -0.002 -0.001 0.005) 0.006 10.333 ( -0.002 0.001 0.005) 0.006 10.765 ( -0.002 -0.004 0.000) 0.005 10.765 ( -0.002 0.005 0.000) 0.005 11.874 ( 0.042 -0.095 -0.001) 0.104 11.874 ( 0.034 0.093 -0.001) 0.099 11.886 ( -0.042 -0.088 0.008) 0.098 11.886 ( -0.035 0.091 0.009) 0.098 13.048 ( 0.000 -0.007 0.003) 0.007 13.048 ( 0.000 0.007 0.003) 0.007 13.708 ( 0.000 -0.019 0.007) 0.020 13.708 ( 0.000 0.019 0.007) 0.020 15.166 ( -0.001 -0.005 -0.005) 0.007 15.166 ( -0.001 0.005 -0.005) 0.007 15.952 ( -0.006 -0.038 0.022) 0.044 15.952 ( -0.006 0.038 0.022) 0.044 16.082 ( 0.004 -0.019 -0.009) 0.021 16.082 ( 0.004 0.019 -0.009) 0.021 16.676 ( -0.004 -0.009 0.009) 0.014 16.676 ( -0.004 0.009 0.009) 0.014 18.137 ( 0.001 -0.039 -0.023) 0.045 18.137 ( 0.001 0.039 -0.023) 0.045 19.012 ( -0.000 -0.015 0.035) 0.038 19.012 ( -0.000 0.015 0.035) 0.038 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 1.288 -2.528 -3.990) 4.895 1.817 ( 1.288 2.529 -3.990) 4.896 2.206 ( -4.492 -8.906 -1.370) 10.068 2.206 ( -4.492 8.906 -1.370) 10.069 2.378 ( 2.559 -9.374 4.769) 10.824 2.378 ( 2.559 9.374 4.769) 10.824 2.776 ( -2.220 -6.272 4.902) 8.264 2.776 ( -2.220 6.272 4.902) 8.264 3.156 ( -0.150 -3.905 -2.470) 4.623 3.156 ( -0.150 3.905 -2.470) 4.624 3.451 ( -1.051 -7.211 0.372) 7.296 3.451 ( -1.051 7.211 0.372) 7.297 4.231 ( -1.901 -5.389 0.748) 5.763 4.231 ( -1.901 5.389 0.748) 5.763 4.356 ( -1.692 -3.724 -3.669) 5.495 4.356 ( -1.692 3.724 -3.669) 5.495 4.663 ( -2.687 -1.621 -4.369) 5.379 4.663 ( -2.687 1.621 -4.369) 5.379 5.582 ( -3.836 -1.424 3.608) 5.455 5.582 ( -3.836 1.424 3.608) 5.455 6.433 ( 3.546 -3.424 0.584) 4.963 6.433 ( 3.546 3.424 0.584) 4.964 6.836 ( -8.503 -6.068 1.715) 10.586 6.836 ( -8.503 6.069 1.715) 10.586 7.529 ( -0.817 -3.139 0.828) 3.347 7.529 ( -0.817 3.139 0.828) 3.348 7.845 ( 2.395 -3.676 -0.596) 4.427 7.845 ( 2.395 3.676 -0.596) 4.428 7.982 ( 8.460 -1.476 -2.055) 8.830 7.982 ( 8.460 1.476 -2.055) 8.830 9.120 ( 0.563 -1.977 -10.565) 10.764 9.120 ( 0.563 1.978 -10.565) 10.764 9.511 ( 3.261 -3.088 10.480) 11.401 9.511 ( 3.261 3.088 10.479) 11.401 9.769 ( 2.605 -2.738 1.157) 3.952 9.769 ( 2.605 2.738 1.157) 3.952 10.290 ( -1.302 -3.594 -2.527) 4.583 10.290 ( -1.302 3.594 -2.527) 4.583 10.807 ( 3.450 -1.260 0.881) 3.777 10.807 ( 3.450 1.261 0.881) 3.777 11.717 ( -9.751 -3.459 -1.554) 10.463 11.717 ( -9.751 3.460 -1.554) 10.463 11.997 ( 6.066 -7.014 -0.789) 9.307 11.997 ( 6.067 7.014 -0.789) 9.307 13.091 ( 3.174 -3.426 1.938) 5.057 13.091 ( 3.174 3.426 1.938) 5.057 13.650 ( -4.986 -1.925 -2.143) 5.759 13.650 ( -4.986 1.926 -2.143) 5.759 15.215 ( 5.130 -3.824 1.016) 6.479 15.215 ( 5.130 3.824 1.016) 6.479 16.000 ( 0.372 -2.055 6.830) 7.142 16.000 ( 0.372 2.055 6.830) 7.142 16.104 ( 6.472 -3.547 -5.647) 9.293 16.104 ( 6.472 3.547 -5.647) 9.293 16.728 ( 2.990 -2.077 5.004) 6.188 16.728 ( 2.990 2.077 5.004) 6.188 18.045 ( -4.414 -8.150 -9.091) 12.983 18.045 ( -4.414 8.150 -9.091) 12.983 18.996 ( -5.238 -11.687 4.484) 13.569 18.996 ( -5.239 11.687 4.484) 13.569 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 3.595 -5.049 -1.121) 6.299 1.821 ( 3.595 5.050 -1.121) 6.300 2.117 ( -4.928 -8.936 -0.458) 10.215 2.117 ( -4.928 8.936 -0.458) 10.215 2.470 ( 0.634 -7.705 5.693) 9.601 2.470 ( 0.634 7.705 5.693) 9.601 2.779 ( -4.272 -7.068 4.233) 9.281 2.779 ( -4.272 7.069 4.233) 9.281 3.127 ( -0.623 -4.562 -0.826) 4.678 3.127 ( -0.623 4.562 -0.826) 4.678 3.406 ( -2.560 -7.966 -1.943) 8.590 3.406 ( -2.560 7.967 -1.943) 8.591 4.156 ( -4.327 -2.239 -4.050) 6.336 4.156 ( -4.327 2.239 -4.050) 6.336 4.324 ( 0.092 -9.009 0.039) 9.010 4.324 ( 0.092 9.010 0.039) 9.010 4.543 ( -3.577 -2.971 -7.003) 8.406 4.543 ( -3.577 2.972 -7.003) 8.407 5.544 ( -6.319 -2.258 4.635) 8.156 5.544 ( -6.319 2.259 4.635) 8.156 6.455 ( -1.650 -9.117 -1.778) 9.434 6.455 ( -1.650 9.117 -1.778) 9.435 6.776 ( -1.479 -4.106 4.828) 6.508 6.776 ( -1.479 4.106 4.828) 6.508 7.534 ( -0.174 -2.323 1.988) 3.062 7.534 ( -0.174 2.323 1.988) 3.062 7.815 ( -2.617 -4.567 -1.414) 5.450 7.815 ( -2.617 4.567 -1.414) 5.450 8.130 ( 10.656 -2.473 -5.813) 12.388 8.130 ( 10.656 2.474 -5.813) 12.388 9.088 ( 7.231 -4.431 -6.112) 10.453 9.088 ( 7.231 4.431 -6.112) 10.454 9.606 ( -2.527 -5.107 3.123) 6.498 9.606 ( -2.527 5.108 3.123) 6.498 9.851 ( 4.645 -3.020 4.989) 7.456 9.851 ( 4.645 3.020 4.989) 7.456 10.309 ( 5.042 -3.168 1.370) 6.110 10.309 ( 5.042 3.168 1.370) 6.110 10.868 ( 3.238 -1.862 -1.036) 3.877 10.868 ( 3.238 1.862 -1.036) 3.877 11.531 ( -9.924 -1.599 -1.712) 10.197 11.531 ( -9.924 1.599 -1.712) 10.197 12.070 ( 4.099 -6.893 -1.106) 8.095 12.070 ( 4.099 6.893 -1.106) 8.095 13.163 ( 2.398 -5.388 0.671) 5.936 13.163 ( 2.398 5.389 0.671) 5.936 13.530 ( -5.102 -5.041 -2.129) 7.482 13.530 ( -5.102 5.041 -2.129) 7.482 15.355 ( 8.017 -6.501 3.849) 11.016 15.355 ( 8.017 6.501 3.849) 11.016 16.053 ( -2.261 -6.859 3.894) 8.205 16.053 ( -2.261 6.859 3.894) 8.205 16.207 ( 12.806 -4.744 -4.032) 14.239 16.207 ( 12.806 4.745 -4.032) 14.239 16.888 ( 6.811 -6.266 8.651) 12.669 16.888 ( 6.811 6.266 8.651) 12.669 17.811 ( -7.593 -12.049 -13.682) 19.749 17.811 ( -7.593 12.049 -13.682) 19.749 18.924 ( -10.311 -18.786 5.283) 22.071 18.924 ( -10.311 18.786 5.283) 22.071 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.384 -5.181 2.269) 5.669 1.900 ( 0.384 5.181 2.269) 5.669 2.042 ( -2.015 -8.098 3.217) 8.944 2.042 ( -2.015 8.099 3.217) 8.944 2.504 ( -1.757 -6.373 1.702) 6.826 2.504 ( -1.757 6.373 1.702) 6.826 2.732 ( -4.747 -7.788 1.961) 9.329 2.732 ( -4.747 7.788 1.961) 9.329 3.103 ( -1.926 -5.004 -0.654) 5.402 3.103 ( -1.926 5.005 -0.654) 5.402 3.386 ( 1.022 -2.369 2.831) 3.830 3.386 ( 1.022 2.369 2.831) 3.830 4.039 ( -1.559 -3.605 -6.944) 7.978 4.039 ( -1.559 3.606 -6.944) 7.978 4.311 ( -3.861 -8.594 1.225) 9.501 4.311 ( -3.861 8.594 1.225) 9.501 4.401 ( -2.356 -0.523 -8.706) 9.034 4.401 ( -2.356 0.523 -8.706) 9.034 5.478 ( -6.913 -2.766 3.464) 8.213 5.478 ( -6.913 2.766 3.464) 8.213 6.380 ( -3.988 -10.083 -0.460) 10.853 6.380 ( -3.988 10.083 -0.460) 10.853 6.850 ( 3.946 -2.688 1.820) 5.110 6.850 ( 3.946 2.688 1.820) 5.110 7.578 ( -0.011 -0.894 6.169) 6.234 7.578 ( -0.011 0.894 6.169) 6.234 7.752 ( -2.500 -5.155 -1.661) 5.965 7.752 ( -2.500 5.155 -1.661) 5.965 8.160 ( 4.153 -5.268 -10.249) 12.249 8.160 ( 4.153 5.268 -10.249) 12.249 9.167 ( 7.157 -3.222 -6.234) 10.023 9.167 ( 7.157 3.223 -6.234) 10.023 9.596 ( 1.259 -4.674 3.728) 6.110 9.596 ( 1.259 4.674 3.728) 6.110 10.020 ( 4.902 -2.373 9.136) 10.636 10.020 ( 4.902 2.373 9.136) 10.636 10.454 ( 7.989 -3.290 2.892) 9.111 10.454 ( 7.989 3.290 2.892) 9.111 10.871 ( 0.825 -1.890 -5.055) 5.460 10.871 ( 0.825 1.890 -5.055) 5.460 11.361 ( -8.674 -2.054 -0.324) 8.920 11.361 ( -8.674 2.054 -0.324) 8.920 12.117 ( 2.981 -6.229 -0.663) 6.937 12.117 ( 2.981 6.229 -0.663) 6.937 13.149 ( -2.522 -4.704 -2.668) 5.967 13.149 ( -2.522 4.704 -2.668) 5.967 13.475 ( 0.053 -8.349 0.110) 8.350 13.476 ( 0.053 8.349 0.110) 8.350 15.552 ( 7.412 -8.903 6.996) 13.533 15.552 ( 7.412 8.903 6.996) 13.533 16.042 ( -0.384 -7.124 -0.139) 7.135 16.042 ( -0.384 7.124 -0.139) 7.136 16.400 ( 13.033 -2.337 -1.685) 13.348 16.400 ( 13.033 2.337 -1.685) 13.348 17.127 ( 9.608 -10.765 7.598) 16.307 17.127 ( 9.608 10.765 7.598) 16.308 17.516 ( -8.706 -11.659 -12.403) 19.120 17.516 ( -8.706 11.659 -12.403) 19.120 18.766 ( -14.436 -22.060 3.353) 26.576 18.766 ( -14.437 22.060 3.354) 26.576 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -10.936 -6.123 -0.630) 12.550 1.774 ( -10.936 6.124 -0.630) 12.550 2.212 ( 7.883 -3.510 9.285) 12.676 2.212 ( 7.883 3.510 9.285) 12.676 2.471 ( -0.828 -8.690 -1.584) 8.872 2.471 ( -0.827 8.691 -1.584) 8.872 2.682 ( -3.451 -8.360 1.671) 9.197 2.682 ( -3.451 8.360 1.671) 9.197 3.053 ( -1.581 -4.103 -2.928) 5.283 3.053 ( -1.581 4.103 -2.928) 5.283 3.497 ( 2.963 -1.987 9.878) 10.502 3.497 ( 2.963 1.988 9.878) 10.502 3.955 ( 1.216 -4.744 -7.726) 9.148 3.955 ( 1.216 4.744 -7.726) 9.148 4.184 ( -6.861 -10.087 -6.733) 13.934 4.184 ( -6.861 10.087 -6.734) 13.934 4.301 ( -2.223 -7.760 -2.693) 8.509 4.301 ( -2.223 7.760 -2.693) 8.510 5.400 ( -5.334 -2.717 1.423) 6.153 5.400 ( -5.334 2.717 1.423) 6.153 6.341 ( -1.643 -7.378 1.980) 7.814 6.341 ( -1.643 7.378 1.980) 7.814 6.918 ( 3.656 -2.493 -1.331) 4.621 6.918 ( 3.656 2.493 -1.331) 4.621 7.656 ( -0.535 -1.822 5.744) 6.050 7.656 ( -0.535 1.823 5.744) 6.050 7.707 ( -1.829 -4.895 2.379) 5.741 7.707 ( -1.829 4.895 2.379) 5.742 8.068 ( 0.658 -5.955 -11.953) 13.371 8.068 ( 0.658 5.955 -11.953) 13.371 9.157 ( 1.686 -1.362 -6.003) 6.382 9.157 ( 1.686 1.362 -6.003) 6.382 9.754 ( 8.109 -3.357 6.343) 10.828 9.754 ( 8.109 3.357 6.343) 10.828 10.199 ( 3.366 -2.291 10.203) 10.985 10.199 ( 3.366 2.291 10.202) 10.985 10.596 ( 5.159 -7.243 0.012) 8.893 10.596 ( 5.159 7.243 0.012) 8.893 10.790 ( -0.531 -4.477 -7.112) 8.421 10.790 ( -0.531 4.478 -7.112) 8.421 11.240 ( -6.285 -3.046 0.773) 7.027 11.240 ( -6.285 3.046 0.773) 7.027 12.159 ( 2.286 -4.833 0.209) 5.351 12.159 ( 2.286 4.834 0.210) 5.351 13.062 ( -3.104 -3.702 -2.933) 5.652 13.062 ( -3.104 3.702 -2.933) 5.652 13.500 ( 1.585 -7.183 0.464) 7.371 13.500 ( 1.585 7.183 0.464) 7.371 15.709 ( 1.519 -6.358 5.386) 8.470 15.709 ( 1.519 6.358 5.386) 8.470 16.094 ( 6.030 -3.931 3.518) 8.012 16.094 ( 6.030 3.931 3.518) 8.012 16.564 ( 8.606 -1.308 -3.620) 9.428 16.564 ( 8.606 1.308 -3.620) 9.428 17.155 ( -5.101 -10.013 -12.118) 16.527 17.155 ( -5.101 10.013 -12.118) 16.527 17.480 ( 9.471 -15.341 8.882) 20.099 17.480 ( 9.471 15.341 8.882) 20.099 18.524 ( -16.533 -22.631 0.329) 28.028 18.524 ( -16.533 22.631 0.329) 28.028 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -5.246 -2.940 -0.413) 6.028 1.620 ( -5.246 2.940 -0.413) 6.028 2.349 ( -0.577 -1.321 2.409) 2.807 2.349 ( -0.577 1.321 2.409) 2.807 2.521 ( 5.960 -7.915 0.902) 9.949 2.521 ( 5.960 7.915 0.902) 9.949 2.663 ( -1.601 -6.996 2.723) 7.676 2.663 ( -1.601 6.996 2.723) 7.676 2.982 ( -1.954 -2.015 -3.304) 4.335 2.982 ( -1.954 2.015 -3.304) 4.336 3.686 ( 3.034 -6.639 14.178) 15.947 3.686 ( 3.034 6.639 14.178) 15.947 3.882 ( 1.918 -7.387 -13.771) 15.744 3.882 ( 1.918 7.387 -13.771) 15.744 3.994 ( -6.102 -3.998 -2.654) 7.764 3.994 ( -6.102 3.999 -2.654) 7.764 4.253 ( -1.175 -2.646 -0.554) 2.948 4.253 ( -1.175 2.646 -0.554) 2.948 5.345 ( -1.986 -1.219 0.221) 2.340 5.345 ( -1.986 1.219 0.221) 2.340 6.353 ( -0.104 -2.771 1.599) 3.202 6.353 ( -0.104 2.772 1.599) 3.202 6.944 ( 1.330 -1.265 -1.175) 2.179 6.944 ( 1.330 1.265 -1.175) 2.179 7.649 ( -0.574 -1.142 -0.751) 1.483 7.649 ( -0.574 1.142 -0.751) 1.483 7.775 ( -0.899 -1.297 8.360) 8.508 7.775 ( -0.898 1.297 8.360) 8.508 7.948 ( 0.263 -3.881 -9.058) 9.858 7.948 ( 0.262 3.881 -9.058) 9.858 9.127 ( 0.469 -0.576 -2.048) 2.178 9.127 ( 0.469 0.576 -2.048) 2.178 9.925 ( 4.402 -1.240 2.832) 5.379 9.925 ( 4.402 1.240 2.832) 5.379 10.362 ( 2.542 -2.958 10.366) 11.075 10.362 ( 2.542 2.958 10.366) 11.075 10.539 ( -2.958 -5.232 -9.421) 11.175 10.539 ( -2.958 5.232 -9.421) 11.175 10.788 ( 2.817 -1.753 -0.326) 3.334 10.788 ( 2.817 1.753 -0.326) 3.334 11.166 ( -2.896 -1.826 0.307) 3.438 11.166 ( -2.896 1.826 0.307) 3.438 12.191 ( 0.962 -1.919 0.349) 2.175 12.192 ( 0.962 1.920 0.349) 2.176 13.000 ( -1.190 -1.616 -1.232) 2.355 13.000 ( -1.190 1.616 -1.232) 2.355 13.524 ( 0.683 -2.811 0.174) 2.898 13.524 ( 0.683 2.811 0.174) 2.898 15.738 ( -0.735 -1.612 1.070) 2.070 15.738 ( -0.735 1.613 1.070) 2.070 16.305 ( 8.278 -7.495 9.662) 14.767 16.305 ( 8.278 7.495 9.662) 14.767 16.545 ( -2.478 -6.637 -9.642) 11.965 16.545 ( -2.478 6.637 -9.642) 11.965 16.989 ( -1.821 -3.891 -3.839) 5.761 16.989 ( -1.821 3.891 -3.839) 5.761 17.759 ( 10.810 -15.050 5.470) 19.320 17.759 ( 10.810 15.050 5.470) 19.320 18.251 ( -12.825 -16.852 -1.945) 21.266 18.251 ( -12.825 16.852 -1.945) 21.266 =================== 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 3/31680 10.0 248.264 209.183 193.483 0.000 -24.703 0.000 3/31680 20.0 46.622 49.837 36.799 0.000 -2.514 0.000 3/31680 30.0 22.388 25.185 17.589 0.000 -1.009 0.000 3/31680 40.0 14.245 16.196 11.263 0.000 -0.486 0.000 3/31680 50.0 10.197 11.680 8.166 0.000 -0.259 0.000 3/31680 60.0 7.825 9.017 6.345 0.000 -0.149 0.000 3/31680 70.0 6.294 7.288 5.159 0.000 -0.092 0.000 3/31680 80.0 5.240 6.092 4.334 0.000 -0.060 0.000 3/31680 90.0 4.480 5.223 3.733 0.000 -0.040 0.000 3/31680 100.0 3.910 4.570 3.279 0.000 -0.027 0.000 3/31680 110.0 3.470 4.062 2.925 0.000 -0.019 0.000 3/31680 120.0 3.121 3.660 2.644 0.000 -0.013 0.000 3/31680 130.0 2.838 3.333 2.414 0.000 -0.008 0.000 3/31680 140.0 2.606 3.063 2.225 0.000 -0.005 0.000 3/31680 150.0 2.411 2.836 2.065 0.000 -0.002 0.000 3/31680 160.0 2.245 2.644 1.929 0.000 -0.000 0.000 3/31680 170.0 2.102 2.478 1.811 0.000 0.001 0.000 3/31680 180.0 1.979 2.334 1.709 0.000 0.002 0.000 3/31680 190.0 1.870 2.207 1.618 0.000 0.003 0.000 3/31680 200.0 1.773 2.094 1.538 0.000 0.004 0.000 3/31680 210.0 1.687 1.994 1.466 0.000 0.004 0.000 3/31680 220.0 1.610 1.904 1.401 0.000 0.005 0.000 3/31680 230.0 1.540 1.822 1.342 0.000 0.005 0.000 3/31680 240.0 1.476 1.747 1.289 0.000 0.005 0.000 3/31680 250.0 1.417 1.679 1.239 0.000 0.006 0.000 3/31680 260.0 1.364 1.616 1.194 0.000 0.006 0.000 3/31680 270.0 1.314 1.558 1.152 0.000 0.006 0.000 3/31680 280.0 1.269 1.505 1.113 0.000 0.006 0.000 3/31680 290.0 1.226 1.455 1.077 0.000 0.006 0.000 3/31680 300.0 1.186 1.408 1.043 0.000 0.006 0.000 3/31680 310.0 1.149 1.365 1.011 0.000 0.006 0.000 3/31680 320.0 1.114 1.324 0.982 0.000 0.006 0.000 3/31680 330.0 1.082 1.286 0.954 0.000 0.006 0.000 3/31680 340.0 1.051 1.249 0.927 0.000 0.006 0.000 3/31680 350.0 1.022 1.215 0.902 0.000 0.006 0.000 3/31680 360.0 0.995 1.183 0.879 0.000 0.006 0.000 3/31680 370.0 0.969 1.152 0.856 0.000 0.006 0.000 3/31680 380.0 0.944 1.123 0.835 0.000 0.006 0.000 3/31680 390.0 0.921 1.096 0.815 0.000 0.006 0.000 3/31680 400.0 0.898 1.070 0.795 0.000 0.006 0.000 3/31680 410.0 0.877 1.045 0.777 0.000 0.006 0.000 3/31680 420.0 0.857 1.021 0.759 0.000 0.006 0.000 3/31680 430.0 0.838 0.998 0.743 0.000 0.006 0.000 3/31680 440.0 0.819 0.976 0.727 0.000 0.005 0.000 3/31680 450.0 0.802 0.955 0.711 0.000 0.005 0.000 3/31680 460.0 0.785 0.935 0.696 0.000 0.005 0.000 3/31680 470.0 0.769 0.916 0.682 0.000 0.005 0.000 3/31680 480.0 0.753 0.898 0.669 0.000 0.005 0.000 3/31680 490.0 0.738 0.880 0.656 0.000 0.005 0.000 3/31680 500.0 0.724 0.863 0.643 0.000 0.005 0.000 3/31680 510.0 0.710 0.847 0.631 0.000 0.005 0.000 3/31680 520.0 0.697 0.831 0.619 0.000 0.005 0.000 3/31680 530.0 0.684 0.816 0.608 0.000 0.005 0.000 3/31680 540.0 0.672 0.801 0.597 0.000 0.005 0.000 3/31680 550.0 0.660 0.787 0.587 0.000 0.005 0.000 3/31680 560.0 0.648 0.774 0.577 0.000 0.005 0.000 3/31680 570.0 0.637 0.760 0.567 0.000 0.005 0.000 3/31680 580.0 0.626 0.748 0.558 0.000 0.005 0.000 3/31680 590.0 0.616 0.735 0.548 0.000 0.005 0.000 3/31680 600.0 0.606 0.723 0.540 0.000 0.004 0.000 3/31680 610.0 0.596 0.712 0.531 0.000 0.004 0.000 3/31680 620.0 0.587 0.701 0.523 0.000 0.004 0.000 3/31680 630.0 0.578 0.690 0.515 0.000 0.004 0.000 3/31680 640.0 0.569 0.679 0.507 0.000 0.004 0.000 3/31680 650.0 0.560 0.669 0.499 0.000 0.004 0.000 3/31680 660.0 0.552 0.659 0.492 0.000 0.004 0.000 3/31680 670.0 0.544 0.650 0.485 0.000 0.004 0.000 3/31680 680.0 0.536 0.640 0.478 0.000 0.004 0.000 3/31680 690.0 0.529 0.631 0.471 0.000 0.004 0.000 3/31680 700.0 0.521 0.622 0.465 0.000 0.004 0.000 3/31680 710.0 0.514 0.614 0.458 0.000 0.004 0.000 3/31680 720.0 0.507 0.606 0.452 0.000 0.004 0.000 3/31680 730.0 0.500 0.597 0.446 0.000 0.004 0.000 3/31680 740.0 0.493 0.590 0.440 0.000 0.004 0.000 3/31680 750.0 0.487 0.582 0.434 0.000 0.004 0.000 3/31680 760.0 0.481 0.574 0.429 0.000 0.004 0.000 3/31680 770.0 0.475 0.567 0.423 0.000 0.004 0.000 3/31680 780.0 0.469 0.560 0.418 0.000 0.004 0.000 3/31680 790.0 0.463 0.553 0.413 0.000 0.004 0.000 3/31680 800.0 0.457 0.546 0.408 0.000 0.004 0.000 3/31680 810.0 0.451 0.540 0.403 0.000 0.004 0.000 3/31680 820.0 0.446 0.533 0.398 0.000 0.003 0.000 3/31680 830.0 0.441 0.527 0.393 0.000 0.003 0.000 3/31680 840.0 0.436 0.521 0.389 0.000 0.003 0.000 3/31680 850.0 0.431 0.515 0.384 0.000 0.003 0.000 3/31680 860.0 0.426 0.509 0.380 0.000 0.003 0.000 3/31680 870.0 0.421 0.503 0.376 0.000 0.003 0.000 3/31680 880.0 0.416 0.497 0.372 0.000 0.003 0.000 3/31680 890.0 0.411 0.492 0.367 0.000 0.003 0.000 3/31680 900.0 0.407 0.486 0.363 0.000 0.003 0.000 3/31680 910.0 0.402 0.481 0.359 0.000 0.003 0.000 3/31680 920.0 0.398 0.476 0.356 0.000 0.003 0.000 3/31680 930.0 0.394 0.471 0.352 0.000 0.003 0.000 3/31680 940.0 0.390 0.466 0.348 0.000 0.003 0.000 3/31680 950.0 0.386 0.461 0.345 0.000 0.003 0.000 3/31680 960.0 0.382 0.456 0.341 0.000 0.003 0.000 3/31680 970.0 0.378 0.452 0.338 0.000 0.003 0.000 3/31680 980.0 0.374 0.447 0.334 0.000 0.003 0.000 3/31680 990.0 0.370 0.443 0.331 0.000 0.003 0.000 3/31680 1000.0 0.367 0.438 0.328 0.000 0.003 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:11:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|