----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:52:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 6.824179830000000 Atomic positions (fractional): *1 Na 0.14743536159142 0.85256463840858 0.53971086143014 22.990 2 Na 0.29487072318283 0.14743536159142 0.03971086143014 22.990 3 Na 0.85256463840858 0.70512927681717 0.03971086143014 22.990 4 Na 0.14743536159142 0.29487072318283 0.53971086143014 22.990 5 Na 0.70512927681717 0.85256463840858 0.53971086143014 22.990 6 Na 0.85256463840858 0.14743536159142 0.03971086143014 22.990 *7 Na 0.52987701660615 0.47012298339385 0.36528906752027 22.990 8 Na 0.05975403321229 0.52987701660615 0.86528906752027 22.990 9 Na 0.47012298339385 0.94024596678771 0.86528906752027 22.990 10 Na 0.52987701660615 0.05975403321229 0.36528906752027 22.990 11 Na 0.94024596678771 0.47012298339385 0.36528906752027 22.990 12 Na 0.47012298339385 0.52987701660615 0.86528906752027 22.990 *13 S 0.81186468429146 0.18813531570854 0.64128848354143 32.065 14 S 0.62372936858293 0.81186468429146 0.14128848354143 32.065 *15 S 0.33333333333333 0.66666666666667 0.59284528303436 32.065 16 S 0.66666666666667 0.33333333333333 0.09284528303436 32.065 17 S 0.18813531570854 0.81186468429146 0.14128848354143 32.065 18 S 0.37627063141707 0.18813531570854 0.64128848354143 32.065 19 S 0.81186468429146 0.62372936858293 0.64128848354143 32.065 20 S 0.18813531570854 0.37627063141707 0.14128848354143 32.065 *21 Zn 0.66666666666667 0.33333333333333 0.74778945949018 65.380 22 Zn 0.33333333333333 0.66666666666667 0.24778945949018 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 6.824179830000000 Atomic positions (fractional): *1 Na 0.14743536159142 0.85256463840858 0.53971086143014 22.990 > 1 2 Na 0.29487072318283 0.14743536159142 0.03971086143014 22.990 > 2 3 Na 0.85256463840858 0.70512927681717 0.03971086143014 22.990 > 3 4 Na 0.14743536159142 0.29487072318283 0.53971086143014 22.990 > 4 5 Na 0.70512927681717 0.85256463840858 0.53971086143014 22.990 > 5 6 Na 0.85256463840858 0.14743536159142 0.03971086143014 22.990 > 6 *7 Na 0.52987701660615 0.47012298339385 0.36528906752027 22.990 > 7 8 Na 0.05975403321229 0.52987701660615 0.86528906752027 22.990 > 8 9 Na 0.47012298339385 0.94024596678771 0.86528906752027 22.990 > 9 10 Na 0.52987701660615 0.05975403321229 0.36528906752027 22.990 > 10 11 Na 0.94024596678771 0.47012298339385 0.36528906752027 22.990 > 11 12 Na 0.47012298339385 0.52987701660615 0.86528906752027 22.990 > 12 *13 S 0.81186468429146 0.18813531570854 0.64128848354143 32.065 > 13 14 S 0.62372936858293 0.81186468429146 0.14128848354143 32.065 > 14 *15 S 0.33333333333333 0.66666666666667 0.59284528303436 32.065 > 15 16 S 0.66666666666667 0.33333333333333 0.09284528303436 32.065 > 16 17 S 0.18813531570854 0.81186468429146 0.14128848354143 32.065 > 17 18 S 0.37627063141707 0.18813531570854 0.64128848354143 32.065 > 18 19 S 0.81186468429146 0.62372936858293 0.64128848354143 32.065 > 19 20 S 0.18813531570854 0.37627063141707 0.14128848354143 32.065 > 20 *21 Zn 0.66666666666667 0.33333333333333 0.74778945949018 65.380 > 21 22 Zn 0.33333333333333 0.66666666666667 0.24778945949018 65.380 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 13.648359660000001 Atomic positions (fractional): *1 Na 0.14743536159142 0.85256463840858 0.26985543071507 22.990 > 1 2 Na 0.14743536159142 0.85256463840858 0.76985543071507 22.990 > 1 3 Na 0.29487072318283 0.14743536159142 0.01985543071507 22.990 > 2 4 Na 0.29487072318283 0.14743536159142 0.51985543071507 22.990 > 2 5 Na 0.85256463840858 0.70512927681717 0.01985543071507 22.990 > 3 6 Na 0.85256463840858 0.70512927681717 0.51985543071507 22.990 > 3 7 Na 0.14743536159142 0.29487072318283 0.26985543071507 22.990 > 4 8 Na 0.14743536159142 0.29487072318283 0.76985543071507 22.990 > 4 9 Na 0.70512927681717 0.85256463840858 0.26985543071507 22.990 > 5 10 Na 0.70512927681717 0.85256463840858 0.76985543071507 22.990 > 5 11 Na 0.85256463840858 0.14743536159142 0.01985543071507 22.990 > 6 12 Na 0.85256463840858 0.14743536159142 0.51985543071507 22.990 > 6 *13 Na 0.52987701660615 0.47012298339385 0.18264453376013 22.990 > 7 14 Na 0.52987701660615 0.47012298339385 0.68264453376013 22.990 > 7 15 Na 0.05975403321229 0.52987701660615 0.43264453376013 22.990 > 8 16 Na 0.05975403321229 0.52987701660615 0.93264453376013 22.990 > 8 17 Na 0.47012298339385 0.94024596678771 0.43264453376013 22.990 > 9 18 Na 0.47012298339385 0.94024596678771 0.93264453376013 22.990 > 9 19 Na 0.52987701660615 0.05975403321229 0.18264453376013 22.990 > 10 20 Na 0.52987701660615 0.05975403321229 0.68264453376013 22.990 > 10 21 Na 0.94024596678771 0.47012298339385 0.18264453376013 22.990 > 11 22 Na 0.94024596678771 0.47012298339385 0.68264453376013 22.990 > 11 23 Na 0.47012298339385 0.52987701660615 0.43264453376013 22.990 > 12 24 Na 0.47012298339385 0.52987701660615 0.93264453376013 22.990 > 12 *25 S 0.81186468429146 0.18813531570854 0.32064424177071 32.065 > 13 26 S 0.81186468429146 0.18813531570854 0.82064424177071 32.065 > 13 27 S 0.62372936858293 0.81186468429146 0.07064424177071 32.065 > 14 28 S 0.62372936858293 0.81186468429146 0.57064424177071 32.065 > 14 *29 S 0.33333333333333 0.66666666666667 0.29642264151718 32.065 > 15 30 S 0.33333333333333 0.66666666666667 0.79642264151718 32.065 > 15 31 S 0.66666666666667 0.33333333333333 0.04642264151718 32.065 > 16 32 S 0.66666666666667 0.33333333333333 0.54642264151718 32.065 > 16 33 S 0.18813531570854 0.81186468429146 0.07064424177071 32.065 > 17 34 S 0.18813531570854 0.81186468429146 0.57064424177071 32.065 > 17 35 S 0.37627063141707 0.18813531570854 0.32064424177071 32.065 > 18 36 S 0.37627063141707 0.18813531570854 0.82064424177071 32.065 > 18 37 S 0.81186468429146 0.62372936858293 0.32064424177071 32.065 > 19 38 S 0.81186468429146 0.62372936858293 0.82064424177071 32.065 > 19 39 S 0.18813531570854 0.37627063141707 0.07064424177071 32.065 > 20 40 S 0.18813531570854 0.37627063141707 0.57064424177071 32.065 > 20 *41 Zn 0.66666666666667 0.33333333333333 0.37389472974509 65.380 > 21 42 Zn 0.66666666666667 0.33333333333333 0.87389472974509 65.380 > 21 43 Zn 0.33333333333333 0.66666666666667 0.12389472974509 65.380 > 22 44 Zn 0.33333333333333 0.66666666666667 0.62389472974509 65.380 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0269943 0.0000000 0.0000000 0.0000000 4.0269943 0.0000000 0.0000000 0.0000000 4.1447573 -------------------------- Born effective charges -------------------------- 1 Na 0.9827760 0.1368268 -0.0615935 0.1368268 1.1407699 0.0355610 -0.1410966 0.0814622 0.9707564 2 Na 0.9827760 -0.1368268 -0.0615935 -0.1368268 1.1407699 -0.0355610 -0.1410966 -0.0814622 0.9707564 3 Na 1.2197669 -0.0000000 0.0000000 -0.0000000 0.9037790 0.0711220 0.0000000 0.1629244 0.9707564 4 Na 1.2197669 -0.0000000 -0.0000000 -0.0000000 0.9037790 -0.0711220 0.0000000 -0.1629244 0.9707564 5 Na 0.9827760 -0.1368268 0.0615935 -0.1368268 1.1407699 0.0355610 0.1410966 0.0814622 0.9707564 6 Na 0.9827760 0.1368268 0.0615935 0.1368268 1.1407699 -0.0355610 0.1410966 -0.0814622 0.9707564 7 Na 1.1473751 -0.2179836 0.1492707 -0.2179836 0.8956693 -0.0861815 0.0373015 -0.0215360 1.1411577 8 Na 1.1473751 0.2179836 0.1492707 0.2179836 0.8956693 0.0861815 0.0373015 0.0215360 1.1411577 9 Na 0.7698164 0.0000000 -0.0000000 -0.0000000 1.2732281 -0.1723630 0.0000000 -0.0430720 1.1411577 10 Na 0.7698164 0.0000000 0.0000000 -0.0000000 1.2732281 0.1723630 0.0000000 0.0430720 1.1411577 11 Na 1.1473751 0.2179836 -0.1492707 0.2179836 0.8956693 -0.0861815 -0.0373015 -0.0215360 1.1411577 12 Na 1.1473751 -0.2179836 -0.1492707 -0.2179836 0.8956693 0.0861815 -0.0373015 0.0215360 1.1411577 13 S -2.1005639 0.1156541 0.2056916 0.1156541 -1.9670180 -0.1187561 0.1739808 -0.1004479 -1.8493306 14 S -2.1005639 -0.1156541 0.2056916 -0.1156541 -1.9670180 0.1187561 0.1739808 0.1004479 -1.8493306 15 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 16 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 17 S -2.1005639 0.1156541 -0.2056916 0.1156541 -1.9670180 0.1187561 -0.1739808 0.1004479 -1.8493306 18 S -2.1005639 -0.1156541 -0.2056916 -0.1156541 -1.9670180 -0.1187561 -0.1739808 -0.1004479 -1.8493306 19 S -1.9002451 -0.0000000 0.0000000 -0.0000000 -2.1673368 0.2375122 0.0000000 0.2008957 -1.8493306 20 S -1.9002451 -0.0000000 -0.0000000 -0.0000000 -2.1673368 -0.2375122 0.0000000 -0.2008957 -1.8493306 21 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 22 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.103 Solver_block: 200 / 240 - Time: 0.125 Solver_block: 240 / 240 - Time: 0.059 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.291 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 288 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:52:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:52:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 6.824179830000000 Atomic positions (fractional): 1 Na 0.14743536159142 0.85256463840858 0.53971086143014 22.990 2 Na 0.29487072318283 0.14743536159142 0.03971086143014 22.990 3 Na 0.85256463840858 0.70512927681717 0.03971086143014 22.990 4 Na 0.14743536159142 0.29487072318283 0.53971086143014 22.990 5 Na 0.70512927681717 0.85256463840858 0.53971086143014 22.990 6 Na 0.85256463840858 0.14743536159142 0.03971086143014 22.990 7 Na 0.52987701660615 0.47012298339385 0.36528906752027 22.990 8 Na 0.05975403321229 0.52987701660615 0.86528906752027 22.990 9 Na 0.47012298339385 0.94024596678771 0.86528906752027 22.990 10 Na 0.52987701660615 0.05975403321229 0.36528906752027 22.990 11 Na 0.94024596678771 0.47012298339385 0.36528906752027 22.990 12 Na 0.47012298339385 0.52987701660615 0.86528906752027 22.990 13 S 0.81186468429146 0.18813531570854 0.64128848354143 32.065 14 S 0.62372936858293 0.81186468429146 0.14128848354143 32.065 15 S 0.33333333333333 0.66666666666667 0.59284528303436 32.065 16 S 0.66666666666667 0.33333333333333 0.09284528303436 32.065 17 S 0.18813531570854 0.81186468429146 0.14128848354143 32.065 18 S 0.37627063141707 0.18813531570854 0.64128848354143 32.065 19 S 0.81186468429146 0.62372936858293 0.64128848354143 32.065 20 S 0.18813531570854 0.37627063141707 0.14128848354143 32.065 21 Zn 0.66666666666667 0.33333333333333 0.74778945949018 65.380 22 Zn 0.33333333333333 0.66666666666667 0.24778945949018 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 13.648359660000001 Atomic positions (fractional): 1 Na 0.14743536159142 0.85256463840858 0.26985543071507 22.990 > 1 2 Na 0.14743536159142 0.85256463840858 0.76985543071507 22.990 > 1 3 Na 0.29487072318283 0.14743536159142 0.01985543071507 22.990 > 3 4 Na 0.29487072318283 0.14743536159142 0.51985543071507 22.990 > 3 5 Na 0.85256463840858 0.70512927681717 0.01985543071507 22.990 > 5 6 Na 0.85256463840858 0.70512927681717 0.51985543071507 22.990 > 5 7 Na 0.14743536159142 0.29487072318283 0.26985543071507 22.990 > 7 8 Na 0.14743536159142 0.29487072318283 0.76985543071507 22.990 > 7 9 Na 0.70512927681717 0.85256463840858 0.26985543071507 22.990 > 9 10 Na 0.70512927681717 0.85256463840858 0.76985543071507 22.990 > 9 11 Na 0.85256463840858 0.14743536159142 0.01985543071507 22.990 > 11 12 Na 0.85256463840858 0.14743536159142 0.51985543071507 22.990 > 11 13 Na 0.52987701660615 0.47012298339385 0.18264453376013 22.990 > 13 14 Na 0.52987701660615 0.47012298339385 0.68264453376013 22.990 > 13 15 Na 0.05975403321229 0.52987701660615 0.43264453376013 22.990 > 15 16 Na 0.05975403321229 0.52987701660615 0.93264453376013 22.990 > 15 17 Na 0.47012298339385 0.94024596678771 0.43264453376013 22.990 > 17 18 Na 0.47012298339385 0.94024596678771 0.93264453376013 22.990 > 17 19 Na 0.52987701660615 0.05975403321229 0.18264453376013 22.990 > 19 20 Na 0.52987701660615 0.05975403321229 0.68264453376013 22.990 > 19 21 Na 0.94024596678771 0.47012298339385 0.18264453376013 22.990 > 21 22 Na 0.94024596678771 0.47012298339385 0.68264453376013 22.990 > 21 23 Na 0.47012298339385 0.52987701660615 0.43264453376013 22.990 > 23 24 Na 0.47012298339385 0.52987701660615 0.93264453376013 22.990 > 23 25 S 0.81186468429146 0.18813531570854 0.32064424177071 32.065 > 25 26 S 0.81186468429146 0.18813531570854 0.82064424177071 32.065 > 25 27 S 0.62372936858293 0.81186468429146 0.07064424177071 32.065 > 27 28 S 0.62372936858293 0.81186468429146 0.57064424177071 32.065 > 27 29 S 0.33333333333333 0.66666666666667 0.29642264151718 32.065 > 29 30 S 0.33333333333333 0.66666666666667 0.79642264151718 32.065 > 29 31 S 0.66666666666667 0.33333333333333 0.04642264151718 32.065 > 31 32 S 0.66666666666667 0.33333333333333 0.54642264151718 32.065 > 31 33 S 0.18813531570854 0.81186468429146 0.07064424177071 32.065 > 33 34 S 0.18813531570854 0.81186468429146 0.57064424177071 32.065 > 33 35 S 0.37627063141707 0.18813531570854 0.32064424177071 32.065 > 35 36 S 0.37627063141707 0.18813531570854 0.82064424177071 32.065 > 35 37 S 0.81186468429146 0.62372936858293 0.32064424177071 32.065 > 37 38 S 0.81186468429146 0.62372936858293 0.82064424177071 32.065 > 37 39 S 0.18813531570854 0.37627063141707 0.07064424177071 32.065 > 39 40 S 0.18813531570854 0.37627063141707 0.57064424177071 32.065 > 39 41 Zn 0.66666666666667 0.33333333333333 0.37389472974509 65.380 > 41 42 Zn 0.66666666666667 0.33333333333333 0.87389472974509 65.380 > 41 43 Zn 0.33333333333333 0.66666666666667 0.12389472974509 65.380 > 43 44 Zn 0.33333333333333 0.66666666666667 0.62389472974509 65.380 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0269943 0.0000000 0.0000000 0.0000000 4.0269943 0.0000000 0.0000000 0.0000000 4.1447573 -------------------------- Born effective charges -------------------------- 1 Na 0.9827760 0.1368268 -0.0615935 0.1368268 1.1407699 0.0355610 -0.1410966 0.0814622 0.9707564 2 Na 0.9827760 -0.1368268 -0.0615935 -0.1368268 1.1407699 -0.0355610 -0.1410966 -0.0814622 0.9707564 3 Na 1.2197669 -0.0000000 0.0000000 -0.0000000 0.9037790 0.0711220 0.0000000 0.1629244 0.9707564 4 Na 1.2197669 -0.0000000 -0.0000000 -0.0000000 0.9037790 -0.0711220 0.0000000 -0.1629244 0.9707564 5 Na 0.9827760 -0.1368268 0.0615935 -0.1368268 1.1407699 0.0355610 0.1410966 0.0814622 0.9707564 6 Na 0.9827760 0.1368268 0.0615935 0.1368268 1.1407699 -0.0355610 0.1410966 -0.0814622 0.9707564 7 Na 1.1473751 -0.2179836 0.1492707 -0.2179836 0.8956693 -0.0861815 0.0373015 -0.0215360 1.1411577 8 Na 1.1473751 0.2179836 0.1492707 0.2179836 0.8956693 0.0861815 0.0373015 0.0215360 1.1411577 9 Na 0.7698164 0.0000000 -0.0000000 -0.0000000 1.2732281 -0.1723630 0.0000000 -0.0430720 1.1411577 10 Na 0.7698164 0.0000000 0.0000000 -0.0000000 1.2732281 0.1723630 0.0000000 0.0430720 1.1411577 11 Na 1.1473751 0.2179836 -0.1492707 0.2179836 0.8956693 -0.0861815 -0.0373015 -0.0215360 1.1411577 12 Na 1.1473751 -0.2179836 -0.1492707 -0.2179836 0.8956693 0.0861815 -0.0373015 0.0215360 1.1411577 13 S -2.1005639 0.1156541 0.2056916 0.1156541 -1.9670180 -0.1187561 0.1739808 -0.1004479 -1.8493306 14 S -2.1005639 -0.1156541 0.2056916 -0.1156541 -1.9670180 0.1187561 0.1739808 0.1004479 -1.8493306 15 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 16 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 17 S -2.1005639 0.1156541 -0.2056916 0.1156541 -1.9670180 0.1187561 -0.1739808 0.1004479 -1.8493306 18 S -2.1005639 -0.1156541 -0.2056916 -0.1156541 -1.9670180 -0.1187561 -0.1739808 -0.1004479 -1.8493306 19 S -1.9002451 -0.0000000 0.0000000 -0.0000000 -2.1673368 0.2375122 0.0000000 0.2008957 -1.8493306 20 S -1.9002451 -0.0000000 -0.0000000 -0.0000000 -2.1673368 -0.2375122 0.0000000 -0.2008957 -1.8493306 21 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 22 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (zzz) 0.00000005 (zzz) 0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:52:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:52:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 6.824179830000000 Atomic positions (fractional): 1 Na 0.14743536159142 0.85256463840858 0.53971086143014 22.990 2 Na 0.29487072318283 0.14743536159142 0.03971086143014 22.990 3 Na 0.85256463840858 0.70512927681717 0.03971086143014 22.990 4 Na 0.14743536159142 0.29487072318283 0.53971086143014 22.990 5 Na 0.70512927681717 0.85256463840858 0.53971086143014 22.990 6 Na 0.85256463840858 0.14743536159142 0.03971086143014 22.990 7 Na 0.52987701660615 0.47012298339385 0.36528906752027 22.990 8 Na 0.05975403321229 0.52987701660615 0.86528906752027 22.990 9 Na 0.47012298339385 0.94024596678771 0.86528906752027 22.990 10 Na 0.52987701660615 0.05975403321229 0.36528906752027 22.990 11 Na 0.94024596678771 0.47012298339385 0.36528906752027 22.990 12 Na 0.47012298339385 0.52987701660615 0.86528906752027 22.990 13 S 0.81186468429146 0.18813531570854 0.64128848354143 32.065 14 S 0.62372936858293 0.81186468429146 0.14128848354143 32.065 15 S 0.33333333333333 0.66666666666667 0.59284528303436 32.065 16 S 0.66666666666667 0.33333333333333 0.09284528303436 32.065 17 S 0.18813531570854 0.81186468429146 0.14128848354143 32.065 18 S 0.37627063141707 0.18813531570854 0.64128848354143 32.065 19 S 0.81186468429146 0.62372936858293 0.64128848354143 32.065 20 S 0.18813531570854 0.37627063141707 0.14128848354143 32.065 21 Zn 0.66666666666667 0.33333333333333 0.74778945949018 65.380 22 Zn 0.33333333333333 0.66666666666667 0.24778945949018 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.868485882085565 0.000000000000000 0.000000000000000 b -4.434242941042783 7.680334066989745 0.000000000000000 c 0.000000000000000 0.000000000000000 13.648359660000001 Atomic positions (fractional): 1 Na 0.14743536159142 0.85256463840858 0.26985543071507 22.990 > 1 2 Na 0.14743536159142 0.85256463840858 0.76985543071507 22.990 > 1 3 Na 0.29487072318283 0.14743536159142 0.01985543071507 22.990 > 3 4 Na 0.29487072318283 0.14743536159142 0.51985543071507 22.990 > 3 5 Na 0.85256463840858 0.70512927681717 0.01985543071507 22.990 > 5 6 Na 0.85256463840858 0.70512927681717 0.51985543071507 22.990 > 5 7 Na 0.14743536159142 0.29487072318283 0.26985543071507 22.990 > 7 8 Na 0.14743536159142 0.29487072318283 0.76985543071507 22.990 > 7 9 Na 0.70512927681717 0.85256463840858 0.26985543071507 22.990 > 9 10 Na 0.70512927681717 0.85256463840858 0.76985543071507 22.990 > 9 11 Na 0.85256463840858 0.14743536159142 0.01985543071507 22.990 > 11 12 Na 0.85256463840858 0.14743536159142 0.51985543071507 22.990 > 11 13 Na 0.52987701660615 0.47012298339385 0.18264453376013 22.990 > 13 14 Na 0.52987701660615 0.47012298339385 0.68264453376013 22.990 > 13 15 Na 0.05975403321229 0.52987701660615 0.43264453376013 22.990 > 15 16 Na 0.05975403321229 0.52987701660615 0.93264453376013 22.990 > 15 17 Na 0.47012298339385 0.94024596678771 0.43264453376013 22.990 > 17 18 Na 0.47012298339385 0.94024596678771 0.93264453376013 22.990 > 17 19 Na 0.52987701660615 0.05975403321229 0.18264453376013 22.990 > 19 20 Na 0.52987701660615 0.05975403321229 0.68264453376013 22.990 > 19 21 Na 0.94024596678771 0.47012298339385 0.18264453376013 22.990 > 21 22 Na 0.94024596678771 0.47012298339385 0.68264453376013 22.990 > 21 23 Na 0.47012298339385 0.52987701660615 0.43264453376013 22.990 > 23 24 Na 0.47012298339385 0.52987701660615 0.93264453376013 22.990 > 23 25 S 0.81186468429146 0.18813531570854 0.32064424177071 32.065 > 25 26 S 0.81186468429146 0.18813531570854 0.82064424177071 32.065 > 25 27 S 0.62372936858293 0.81186468429146 0.07064424177071 32.065 > 27 28 S 0.62372936858293 0.81186468429146 0.57064424177071 32.065 > 27 29 S 0.33333333333333 0.66666666666667 0.29642264151718 32.065 > 29 30 S 0.33333333333333 0.66666666666667 0.79642264151718 32.065 > 29 31 S 0.66666666666667 0.33333333333333 0.04642264151718 32.065 > 31 32 S 0.66666666666667 0.33333333333333 0.54642264151718 32.065 > 31 33 S 0.18813531570854 0.81186468429146 0.07064424177071 32.065 > 33 34 S 0.18813531570854 0.81186468429146 0.57064424177071 32.065 > 33 35 S 0.37627063141707 0.18813531570854 0.32064424177071 32.065 > 35 36 S 0.37627063141707 0.18813531570854 0.82064424177071 32.065 > 35 37 S 0.81186468429146 0.62372936858293 0.32064424177071 32.065 > 37 38 S 0.81186468429146 0.62372936858293 0.82064424177071 32.065 > 37 39 S 0.18813531570854 0.37627063141707 0.07064424177071 32.065 > 39 40 S 0.18813531570854 0.37627063141707 0.57064424177071 32.065 > 39 41 Zn 0.66666666666667 0.33333333333333 0.37389472974509 65.380 > 41 42 Zn 0.66666666666667 0.33333333333333 0.87389472974509 65.380 > 41 43 Zn 0.33333333333333 0.66666666666667 0.12389472974509 65.380 > 43 44 Zn 0.33333333333333 0.66666666666667 0.62389472974509 65.380 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0269943 0.0000000 0.0000000 0.0000000 4.0269943 0.0000000 0.0000000 0.0000000 4.1447573 -------------------------- Born effective charges -------------------------- 1 Na 0.9827760 0.1368268 -0.0615935 0.1368268 1.1407699 0.0355610 -0.1410966 0.0814622 0.9707564 2 Na 0.9827760 -0.1368268 -0.0615935 -0.1368268 1.1407699 -0.0355610 -0.1410966 -0.0814622 0.9707564 3 Na 1.2197669 -0.0000000 0.0000000 -0.0000000 0.9037790 0.0711220 0.0000000 0.1629244 0.9707564 4 Na 1.2197669 -0.0000000 -0.0000000 -0.0000000 0.9037790 -0.0711220 0.0000000 -0.1629244 0.9707564 5 Na 0.9827760 -0.1368268 0.0615935 -0.1368268 1.1407699 0.0355610 0.1410966 0.0814622 0.9707564 6 Na 0.9827760 0.1368268 0.0615935 0.1368268 1.1407699 -0.0355610 0.1410966 -0.0814622 0.9707564 7 Na 1.1473751 -0.2179836 0.1492707 -0.2179836 0.8956693 -0.0861815 0.0373015 -0.0215360 1.1411577 8 Na 1.1473751 0.2179836 0.1492707 0.2179836 0.8956693 0.0861815 0.0373015 0.0215360 1.1411577 9 Na 0.7698164 0.0000000 -0.0000000 -0.0000000 1.2732281 -0.1723630 0.0000000 -0.0430720 1.1411577 10 Na 0.7698164 0.0000000 0.0000000 -0.0000000 1.2732281 0.1723630 0.0000000 0.0430720 1.1411577 11 Na 1.1473751 0.2179836 -0.1492707 0.2179836 0.8956693 -0.0861815 -0.0373015 -0.0215360 1.1411577 12 Na 1.1473751 -0.2179836 -0.1492707 -0.2179836 0.8956693 0.0861815 -0.0373015 0.0215360 1.1411577 13 S -2.1005639 0.1156541 0.2056916 0.1156541 -1.9670180 -0.1187561 0.1739808 -0.1004479 -1.8493306 14 S -2.1005639 -0.1156541 0.2056916 -0.1156541 -1.9670180 0.1187561 0.1739808 0.1004479 -1.8493306 15 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 16 S -1.7233221 0.0000000 0.0000000 -0.0000000 -1.7233221 0.0000000 0.0000000 0.0000000 -2.4865964 17 S -2.1005639 0.1156541 -0.2056916 0.1156541 -1.9670180 0.1187561 -0.1739808 0.1004479 -1.8493306 18 S -2.1005639 -0.1156541 -0.2056916 -0.1156541 -1.9670180 -0.1187561 -0.1739808 -0.1004479 -1.8493306 19 S -1.9002451 -0.0000000 0.0000000 -0.0000000 -2.1673368 0.2375122 0.0000000 0.2008957 -1.8493306 20 S -1.9002451 -0.0000000 -0.0000000 -0.0000000 -2.1673368 -0.2375122 0.0000000 -0.2008957 -1.8493306 21 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 22 Zn 1.5748095 0.0000000 0.0000000 -0.0000000 1.5748095 0.0000000 0.0000000 0.0000000 1.6988461 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (zzz) 0.00000005 (zzz) 0.00000005 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 7 ] 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: 0.54, Number of G-points: 283, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.349 ( -0.000 0.000 -0.000) 0.000 2.658 ( 0.000 0.000 -0.000) 0.000 2.760 ( -0.000 -0.000 -0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.886 ( -0.000 -0.000 -0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 -0.000 0.000) 0.000 3.088 ( -0.000 0.000 -0.000) 0.000 3.088 ( 0.000 -0.000 -0.000) 0.000 3.157 ( -0.000 0.000 0.000) 0.000 3.157 ( -0.000 -0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.621 ( -0.000 -0.000 -0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.723 ( -0.000 0.000 0.000) 0.000 3.941 ( -0.000 0.000 0.000) 0.000 3.990 ( 0.000 -0.000 -0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 -0.000 0.000) 0.000 4.247 ( -0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 -0.000) 0.000 4.336 ( 0.000 -0.000 0.000) 0.000 4.458 ( 0.000 -0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 -0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 -0.000 -0.000) 0.000 4.668 ( 0.000 0.000 -0.000) 0.000 4.827 ( 0.000 0.000 -0.000) 0.000 4.827 ( 0.000 -0.000 0.000) 0.000 4.890 ( 0.000 -0.000 -0.000) 0.000 5.111 ( 0.000 -0.000 -0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 -0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 -0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 5.781 ( -0.000 -0.000 -0.000) 0.000 5.807 ( 0.000 -0.000 -0.000) 0.000 6.005 ( -0.000 -0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.056 ( -0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 -0.000) 0.000 6.214 ( 0.000 0.000 -0.000) 0.000 6.620 ( 0.000 -0.000 0.000) 0.000 6.620 ( -0.000 0.000 0.000) 0.000 6.675 ( 0.000 -0.000 -0.000) 0.000 6.819 ( -0.000 -0.000 -0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 -0.000 0.000) 0.000 7.500 ( -0.000 -0.000 -0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 -0.000 0.000) 0.000 8.308 ( 0.000 0.000 -0.000) 0.000 8.308 ( 0.000 -0.000 0.000) 0.000 8.343 ( -0.000 -0.000 0.000) 0.000 8.581 ( 0.000 0.000 -0.000) 0.000 8.581 ( 0.000 -0.000 -0.000) 0.000 8.991 ( -0.000 0.000 0.000) 0.000 9.128 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 19.266 11.123 0.000) 22.247 0.485 ( 23.142 13.361 0.000) 26.722 0.943 ( 42.341 24.445 0.000) 48.891 2.294 ( -5.962 -3.442 0.000) 6.884 2.406 ( 3.717 2.146 0.000) 4.292 2.560 ( -5.987 -3.457 0.000) 6.914 2.779 ( 0.587 0.339 0.000) 0.678 2.809 ( -2.726 -1.574 0.000) 3.147 2.845 ( 6.951 4.013 0.000) 8.026 2.954 ( -2.579 -1.489 0.000) 2.978 3.036 ( 1.622 0.936 0.000) 1.872 3.111 ( 1.349 0.779 0.000) 1.557 3.126 ( 3.023 1.745 0.000) 3.490 3.172 ( 0.313 0.181 0.000) 0.361 3.285 ( 9.505 5.488 0.000) 10.976 3.507 ( 4.708 2.718 0.000) 5.437 3.586 ( -6.355 -3.669 0.000) 7.338 3.651 ( -0.817 -0.472 0.000) 0.943 3.732 ( 0.071 0.041 0.000) 0.082 3.885 ( -6.152 -3.552 0.000) 7.104 3.896 ( -1.049 -0.606 0.000) 1.211 4.053 ( 0.162 0.094 0.000) 0.187 4.102 ( 3.064 1.769 0.000) 3.538 4.229 ( -9.215 -5.320 0.000) 10.641 4.263 ( 2.972 1.716 0.000) 3.432 4.366 ( 0.701 0.405 0.000) 0.810 4.415 ( -0.000 -0.000 0.000) 0.000 4.444 ( -5.134 -2.964 0.000) 5.928 4.632 ( 0.099 0.057 0.000) 0.114 4.634 ( 2.065 1.192 0.000) 2.385 4.778 ( 1.883 1.087 0.000) 2.174 4.802 ( 8.079 4.665 0.000) 9.329 4.825 ( -0.484 -0.279 0.000) 0.558 4.915 ( 1.039 0.600 0.000) 1.200 5.009 ( -0.261 -0.151 0.000) 0.301 5.173 ( 3.767 2.175 0.000) 4.350 5.332 ( -4.417 -2.550 0.000) 5.100 5.368 ( -3.216 -1.857 0.000) 3.713 5.447 ( -3.671 -2.119 0.000) 4.239 5.450 ( -5.431 -3.135 0.000) 6.271 5.465 ( 0.814 0.470 0.000) 0.940 5.552 ( 5.983 3.454 0.000) 6.909 5.794 ( -0.971 -0.561 0.000) 1.121 5.863 ( 5.919 3.418 0.000) 6.835 5.971 ( -3.176 -1.834 0.000) 3.668 6.003 ( -0.309 -0.178 0.000) 0.356 6.047 ( -0.506 -0.292 0.000) 0.584 6.207 ( -0.296 -0.171 0.000) 0.342 6.427 ( -9.840 -5.681 0.000) 11.362 6.646 ( -1.939 -1.120 0.000) 2.240 6.739 ( -2.803 -1.618 0.000) 3.236 6.748 ( -4.939 -2.852 0.000) 5.703 6.784 ( 2.375 1.371 0.000) 2.742 7.023 ( 7.164 4.136 0.000) 8.272 7.156 ( 1.022 0.590 0.000) 1.180 7.274 ( 1.117 0.645 0.000) 1.290 7.513 ( 1.078 0.622 0.000) 1.244 7.682 ( -6.828 -3.942 0.000) 7.885 8.274 ( -1.226 -0.708 0.000) 1.416 8.325 ( 1.517 0.876 0.000) 1.752 8.333 ( 0.827 0.478 0.000) 0.955 8.358 ( 1.300 0.751 0.000) 1.502 8.567 ( -1.316 -0.760 0.000) 1.520 9.025 ( 2.813 1.624 0.000) 3.248 9.153 ( 2.294 1.324 0.000) 2.649 9.632 ( -2.154 -1.244 0.000) 2.487 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 18.272 10.549 0.000) 21.099 0.954 ( 20.275 11.706 0.000) 23.412 1.796 ( 35.103 20.267 0.000) 40.534 2.080 ( -13.071 -7.547 0.000) 15.093 2.309 ( -8.853 -5.111 0.000) 10.223 2.626 ( 9.105 5.257 0.000) 10.513 2.761 ( 0.289 0.167 0.000) 0.333 2.837 ( 1.955 1.129 0.000) 2.257 2.900 ( -2.184 -1.261 0.000) 2.522 3.001 ( 4.062 2.345 0.000) 4.691 3.039 ( 1.449 0.837 0.000) 1.673 3.134 ( 0.765 0.442 0.000) 0.883 3.160 ( 1.447 0.835 0.000) 1.671 3.254 ( 5.563 3.212 0.000) 6.423 3.438 ( -6.012 -3.471 0.000) 6.942 3.515 ( 10.123 5.845 0.000) 11.689 3.584 ( 0.437 0.252 0.000) 0.505 3.652 ( -1.184 -0.683 0.000) 1.367 3.725 ( 3.287 1.898 0.000) 3.795 3.838 ( 0.759 0.438 0.000) 0.876 3.854 ( -4.242 -2.449 0.000) 4.898 4.005 ( -8.820 -5.092 0.000) 10.184 4.059 ( 0.111 0.064 0.000) 0.128 4.121 ( -0.107 -0.062 0.000) 0.123 4.291 ( -4.059 -2.343 0.000) 4.687 4.297 ( -4.426 -2.555 0.000) 5.110 4.365 ( 1.047 0.605 0.000) 1.210 4.482 ( 3.083 1.780 0.000) 3.560 4.633 ( -0.384 -0.222 0.000) 0.443 4.714 ( 4.636 2.676 0.000) 5.353 4.739 ( -5.437 -3.139 0.000) 6.278 4.771 ( -4.216 -2.434 0.000) 4.868 4.908 ( 2.266 1.308 0.000) 2.617 4.935 ( 2.501 1.444 0.000) 2.888 5.069 ( 0.044 0.025 0.000) 0.051 5.203 ( -9.075 -5.240 0.000) 10.479 5.248 ( 2.238 1.292 0.000) 2.584 5.314 ( 2.850 1.645 0.000) 3.291 5.408 ( 5.295 3.057 0.000) 6.114 5.435 ( 1.232 0.711 0.000) 1.423 5.469 ( -0.203 -0.117 0.000) 0.235 5.643 ( 1.984 1.146 0.000) 2.291 5.779 ( -0.256 -0.148 0.000) 0.296 5.884 ( -4.268 -2.464 0.000) 4.928 5.986 ( 4.177 2.412 0.000) 4.823 5.993 ( -0.465 -0.269 0.000) 0.537 6.040 ( -0.357 -0.206 0.000) 0.412 6.206 ( -0.514 -0.297 0.000) 0.594 6.253 ( -4.606 -2.659 0.000) 5.319 6.429 ( -13.377 -7.723 0.000) 15.446 6.639 ( -4.771 -2.755 0.000) 5.509 6.781 ( -1.795 -1.037 0.000) 2.073 6.821 ( 5.990 3.459 0.000) 6.917 7.174 ( 6.085 3.513 0.000) 7.027 7.175 ( 0.274 0.158 0.000) 0.317 7.291 ( 0.592 0.342 0.000) 0.684 7.514 ( -7.789 -4.497 0.000) 8.994 7.538 ( 1.116 0.644 0.000) 1.289 8.253 ( -0.756 -0.437 0.000) 0.873 8.340 ( -0.001 -0.001 0.000) 0.001 8.366 ( 2.213 1.278 0.000) 2.556 8.385 ( 1.017 0.587 0.000) 1.174 8.527 ( -2.242 -1.295 0.000) 2.589 9.092 ( 2.933 1.693 0.000) 3.387 9.224 ( 4.299 2.482 0.000) 4.964 9.566 ( -3.871 -2.235 0.000) 4.469 ======================= Grid point 3 (4/32) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 12.409 7.164 0.000) 14.329 1.321 ( 11.799 6.812 0.000) 13.625 1.794 ( -11.152 -6.439 0.000) 12.878 2.019 ( -7.418 -4.283 0.000) 8.565 2.504 ( 18.885 10.903 0.000) 21.807 2.777 ( 0.656 0.379 0.000) 0.757 2.798 ( 3.061 1.767 0.000) 3.534 2.857 ( -0.346 -0.200 0.000) 0.400 2.875 ( 0.170 0.098 0.000) 0.196 3.024 ( 4.851 2.801 0.000) 5.601 3.105 ( 1.398 0.807 0.000) 1.615 3.144 ( 0.199 0.115 0.000) 0.230 3.224 ( 3.261 1.883 0.000) 3.766 3.309 ( -3.036 -1.753 0.000) 3.505 3.372 ( 0.846 0.489 0.000) 0.977 3.507 ( -2.094 -1.209 0.000) 2.417 3.516 ( -9.810 -5.664 0.000) 11.328 3.756 ( -1.603 -0.925 0.000) 1.850 3.761 ( 7.624 4.402 0.000) 8.803 3.833 ( 0.965 0.557 0.000) 1.115 3.877 ( 6.481 3.742 0.000) 7.483 3.924 ( -0.727 -0.420 0.000) 0.840 4.025 ( -4.366 -2.521 0.000) 5.042 4.035 ( -6.014 -3.472 0.000) 6.944 4.228 ( -1.457 -0.841 0.000) 1.682 4.257 ( 0.268 0.155 0.000) 0.310 4.398 ( 3.057 1.765 0.000) 3.530 4.509 ( -1.145 -0.661 0.000) 1.322 4.553 ( -6.222 -3.592 0.000) 7.184 4.690 ( 0.959 0.554 0.000) 1.107 4.721 ( 2.724 1.572 0.000) 3.145 4.796 ( 0.678 0.391 0.000) 0.783 4.929 ( -1.329 -0.767 0.000) 1.534 4.982 ( 2.897 1.673 0.000) 3.345 5.005 ( -6.971 -4.025 0.000) 8.050 5.016 ( -2.433 -1.405 0.000) 2.809 5.252 ( -0.950 -0.548 0.000) 1.096 5.443 ( 3.752 2.166 0.000) 4.333 5.459 ( -0.247 -0.143 0.000) 0.286 5.487 ( 4.425 2.555 0.000) 5.109 5.619 ( 10.358 5.980 0.000) 11.960 5.661 ( 0.122 0.070 0.000) 0.140 5.765 ( -0.815 -0.471 0.000) 0.941 5.800 ( -3.565 -2.058 0.000) 4.117 5.978 ( -1.959 -1.131 0.000) 2.262 5.992 ( -1.797 -1.037 0.000) 2.075 6.017 ( -1.839 -1.062 0.000) 2.123 6.167 ( -8.028 -4.635 0.000) 9.270 6.189 ( 0.304 0.176 0.000) 0.351 6.263 ( 2.012 1.161 0.000) 2.323 6.559 ( -2.248 -1.298 0.000) 2.596 6.738 ( -1.533 -0.885 0.000) 1.770 6.934 ( 3.548 2.048 0.000) 4.097 7.161 ( -1.087 -0.628 0.000) 1.255 7.268 ( 2.429 1.403 0.000) 2.805 7.303 ( 0.421 0.243 0.000) 0.487 7.384 ( -3.604 -2.081 0.000) 4.161 7.556 ( 0.427 0.246 0.000) 0.493 8.242 ( -0.267 -0.154 0.000) 0.308 8.338 ( -0.111 -0.064 0.000) 0.128 8.400 ( 0.330 0.190 0.000) 0.381 8.415 ( 2.132 1.231 0.000) 2.462 8.477 ( -2.247 -1.297 0.000) 2.595 9.136 ( 1.038 0.599 0.000) 1.199 9.326 ( 4.519 2.609 0.000) 5.218 9.475 ( -4.167 -2.406 0.000) 4.811 ======================= Grid point 8 (5/32) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 12.898 22.340 0.000) 25.796 0.834 ( 12.255 21.227 0.000) 24.511 1.550 ( 20.688 35.832 0.000) 41.376 2.252 ( -1.986 -3.440 0.000) 3.972 2.305 ( -6.123 -10.606 0.000) 12.246 2.473 ( -2.696 -4.670 0.000) 5.392 2.836 ( 3.634 6.295 0.000) 7.268 2.876 ( 3.686 6.384 0.000) 7.372 2.919 ( 2.720 4.712 0.000) 5.441 2.933 ( -0.506 -0.877 0.000) 1.012 3.040 ( -0.060 -0.105 0.000) 0.121 3.106 ( -0.334 -0.579 0.000) 0.668 3.164 ( -0.253 -0.438 0.000) 0.505 3.212 ( 2.918 5.055 0.000) 5.837 3.403 ( 2.911 5.043 0.000) 5.823 3.559 ( -0.438 -0.758 0.000) 0.875 3.582 ( 1.457 2.523 0.000) 2.914 3.597 ( 0.203 0.351 0.000) 0.405 3.717 ( -0.197 -0.342 0.000) 0.394 3.830 ( -2.719 -4.709 0.000) 5.437 3.884 ( -0.179 -0.309 0.000) 0.357 4.044 ( -0.672 -1.164 0.000) 1.344 4.063 ( -4.981 -8.628 0.000) 9.963 4.139 ( 1.459 2.526 0.000) 2.917 4.311 ( 1.153 1.998 0.000) 2.307 4.345 ( -3.867 -6.698 0.000) 7.734 4.381 ( -0.079 -0.136 0.000) 0.157 4.416 ( 0.842 1.459 0.000) 1.684 4.647 ( 0.983 1.703 0.000) 1.967 4.684 ( 1.450 2.512 0.000) 2.900 4.778 ( -3.071 -5.318 0.000) 6.141 4.779 ( -0.866 -1.501 0.000) 1.733 4.887 ( -1.242 -2.150 0.000) 2.483 4.940 ( 4.408 7.635 0.000) 8.816 5.030 ( 0.233 0.403 0.000) 0.466 5.236 ( 2.477 4.289 0.000) 4.953 5.296 ( -1.705 -2.953 0.000) 3.410 5.328 ( -3.468 -6.006 0.000) 6.935 5.347 ( 1.010 1.749 0.000) 2.020 5.396 ( -0.512 -0.887 0.000) 1.024 5.506 ( 0.957 1.658 0.000) 1.914 5.619 ( 2.150 3.724 0.000) 4.300 5.768 ( -1.143 -1.979 0.000) 2.285 5.894 ( -2.979 -5.160 0.000) 5.958 5.972 ( 3.578 6.197 0.000) 7.156 6.029 ( -0.462 -0.800 0.000) 0.924 6.034 ( 1.478 2.560 0.000) 2.956 6.208 ( 0.064 0.110 0.000) 0.127 6.314 ( -4.755 -8.237 0.000) 9.511 6.435 ( -6.355 -11.008 0.000) 12.710 6.680 ( -3.482 -6.032 0.000) 6.965 6.738 ( 0.291 0.504 0.000) 0.582 6.926 ( 2.247 3.893 0.000) 4.495 7.020 ( 1.234 2.137 0.000) 2.468 7.189 ( 1.443 2.499 0.000) 2.885 7.313 ( 1.028 1.780 0.000) 2.055 7.526 ( 0.434 0.752 0.000) 0.868 7.568 ( -4.186 -7.251 0.000) 8.373 8.257 ( -0.481 -0.834 0.000) 0.963 8.346 ( 0.333 0.577 0.000) 0.666 8.350 ( 0.928 1.608 0.000) 1.857 8.379 ( 0.807 1.398 0.000) 1.615 8.541 ( -1.113 -1.928 0.000) 2.227 9.077 ( 2.075 3.594 0.000) 4.149 9.198 ( 1.937 3.355 0.000) 3.874 9.587 ( -2.065 -3.577 0.000) 4.131 ======================= Grid point 9 (6/32) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 8.670 22.402 0.000) 24.021 1.219 ( 13.215 15.939 0.000) 20.705 1.963 ( -13.720 -3.220 0.000) 14.092 2.164 ( -10.120 -0.246 0.000) 10.123 2.203 ( 20.870 9.654 0.000) 22.995 2.498 ( 14.534 -9.460 0.000) 17.342 2.907 ( -2.202 1.972 0.000) 2.957 2.921 ( -4.115 5.241 0.000) 6.663 2.959 ( 0.677 9.709 0.000) 9.733 3.016 ( -1.091 2.288 0.000) 2.535 3.059 ( 4.322 0.046 0.000) 4.322 3.119 ( 3.304 -1.032 0.000) 3.461 3.168 ( 3.027 0.104 0.000) 3.028 3.308 ( 3.112 3.125 0.000) 4.410 3.410 ( -4.169 1.802 0.000) 4.541 3.546 ( -1.556 -3.012 0.000) 3.390 3.554 ( -0.187 -4.095 0.000) 4.099 3.596 ( -4.933 -15.098 0.000) 15.884 3.729 ( 6.582 6.287 0.000) 9.102 3.811 ( 4.435 6.077 0.000) 7.523 3.900 ( 1.598 0.655 0.000) 1.727 3.997 ( -3.188 2.795 0.000) 4.239 4.018 ( -1.121 -0.107 0.000) 1.126 4.149 ( -6.478 -0.096 0.000) 6.479 4.222 ( -2.130 -4.950 0.000) 5.389 4.318 ( 0.347 4.412 0.000) 4.425 4.392 ( -1.319 2.825 0.000) 3.118 4.476 ( 4.556 -1.638 0.000) 4.842 4.591 ( -5.347 -5.267 0.000) 7.505 4.645 ( -3.653 -7.358 0.000) 8.215 4.694 ( 1.298 -0.026 0.000) 1.298 4.804 ( 3.983 0.588 0.000) 4.026 4.886 ( 2.227 -2.890 0.000) 3.648 4.947 ( -6.065 0.809 0.000) 6.119 5.058 ( 1.527 -0.373 0.000) 1.572 5.149 ( -7.727 -1.762 0.000) 7.925 5.286 ( -1.086 2.627 0.000) 2.842 5.367 ( 5.932 3.209 0.000) 6.745 5.395 ( 3.728 -0.304 0.000) 3.741 5.508 ( 3.354 5.551 0.000) 6.485 5.536 ( 3.958 5.406 0.000) 6.700 5.662 ( -0.347 1.519 0.000) 1.558 5.748 ( 2.352 -2.510 0.000) 3.440 5.794 ( -2.077 -6.142 0.000) 6.483 5.992 ( -2.509 1.081 0.000) 2.732 6.025 ( -0.246 -0.969 0.000) 1.000 6.083 ( -5.925 0.651 0.000) 5.960 6.156 ( -1.694 -7.367 0.000) 7.559 6.211 ( -2.415 0.365 0.000) 2.443 6.293 ( 1.165 -1.041 0.000) 1.562 6.562 ( -3.715 -4.906 0.000) 6.154 6.737 ( -0.311 -2.295 0.000) 2.316 6.947 ( -0.787 5.130 0.000) 5.190 7.082 ( 3.728 -4.993 0.000) 6.232 7.245 ( 2.936 1.706 0.000) 3.396 7.325 ( -0.947 1.815 0.000) 2.047 7.451 ( -4.669 -1.292 0.000) 4.844 7.538 ( 1.027 -0.959 0.000) 1.405 8.245 ( -0.341 -0.285 0.000) 0.444 8.349 ( -0.551 0.841 0.000) 1.006 8.382 ( 1.493 0.274 0.000) 1.518 8.407 ( 1.006 1.715 0.000) 1.989 8.499 ( -1.850 -1.562 0.000) 2.421 9.138 ( 1.128 2.995 0.000) 3.200 9.276 ( 4.044 2.815 0.000) 4.927 9.505 ( -3.333 -4.234 0.000) 5.389 ======================= Grid point 10 (7/32) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -5.369 9.299 0.000) 10.738 1.495 ( -7.368 12.762 0.000) 14.737 1.714 ( 1.146 -1.986 0.000) 2.293 2.047 ( -4.346 7.528 0.000) 8.692 2.431 ( 8.276 -14.334 0.000) 16.551 2.661 ( 4.118 -7.133 0.000) 8.237 2.877 ( -2.710 4.694 0.000) 5.420 2.899 ( -2.231 3.865 0.000) 4.463 2.996 ( -2.621 4.539 0.000) 5.242 3.052 ( 1.400 -2.424 0.000) 2.799 3.130 ( -0.932 1.614 0.000) 1.863 3.132 ( 0.807 -1.397 0.000) 1.613 3.230 ( 0.151 -0.262 0.000) 0.303 3.256 ( 1.652 -2.861 0.000) 3.304 3.389 ( -0.994 1.722 0.000) 1.989 3.422 ( 0.929 -1.609 0.000) 1.857 3.528 ( -1.208 2.092 0.000) 2.415 3.582 ( 4.558 -7.894 0.000) 9.115 3.839 ( -1.256 2.176 0.000) 2.513 3.906 ( 0.165 -0.286 0.000) 0.330 3.931 ( 1.327 -2.299 0.000) 2.655 3.963 ( -2.732 4.732 0.000) 5.464 4.020 ( -0.742 1.285 0.000) 1.483 4.030 ( -4.272 7.400 0.000) 8.544 4.173 ( 1.905 -3.299 0.000) 3.810 4.353 ( -3.984 6.901 0.000) 7.969 4.425 ( -0.114 0.198 0.000) 0.228 4.476 ( 0.713 -1.234 0.000) 1.425 4.509 ( 0.875 -1.516 0.000) 1.751 4.582 ( 3.782 -6.551 0.000) 7.564 4.742 ( 1.203 -2.083 0.000) 2.406 4.843 ( 2.916 -5.051 0.000) 5.832 4.853 ( 0.128 -0.222 0.000) 0.256 4.894 ( -1.155 2.001 0.000) 2.311 5.062 ( -1.388 2.405 0.000) 2.777 5.076 ( -1.349 2.337 0.000) 2.699 5.283 ( -2.131 3.691 0.000) 4.261 5.428 ( 0.393 -0.680 0.000) 0.785 5.462 ( 0.739 -1.279 0.000) 1.477 5.524 ( -0.081 0.140 0.000) 0.161 5.662 ( 0.193 -0.335 0.000) 0.386 5.669 ( -1.112 1.926 0.000) 2.224 5.729 ( 2.090 -3.619 0.000) 4.179 5.853 ( -2.777 4.810 0.000) 5.554 5.863 ( 2.941 -5.094 0.000) 5.882 6.004 ( 0.113 -0.196 0.000) 0.226 6.012 ( -0.127 0.220 0.000) 0.255 6.080 ( 2.299 -3.982 0.000) 4.598 6.213 ( -1.301 2.253 0.000) 2.602 6.351 ( -3.445 5.967 0.000) 6.891 6.494 ( 2.569 -4.450 0.000) 5.139 6.713 ( 0.961 -1.664 0.000) 1.921 6.981 ( -1.053 1.823 0.000) 2.106 7.067 ( 3.500 -6.062 0.000) 6.999 7.280 ( 0.798 -1.381 0.000) 1.595 7.339 ( -2.068 3.582 0.000) 4.136 7.398 ( -1.510 2.616 0.000) 3.021 7.542 ( 1.065 -1.844 0.000) 2.130 8.241 ( -0.042 0.073 0.000) 0.084 8.348 ( -0.595 1.031 0.000) 1.190 8.395 ( 0.361 -0.625 0.000) 0.722 8.437 ( -0.341 0.591 0.000) 0.682 8.464 ( -0.140 0.243 0.000) 0.281 9.161 ( -1.105 1.915 0.000) 2.211 9.350 ( 0.284 -0.492 0.000) 0.568 9.430 ( 0.954 -1.652 0.000) 1.907 ======================= Grid point 17 (8/32) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 6.860 11.882 0.000) 13.720 1.561 ( 8.665 15.008 0.000) 17.329 1.828 ( -5.619 -9.733 0.000) 11.238 2.132 ( 1.149 1.990 0.000) 2.298 2.242 ( -5.112 -8.855 0.000) 10.225 2.551 ( 7.098 12.294 0.000) 14.196 2.933 ( -0.777 -1.346 0.000) 1.554 2.947 ( -0.070 -0.121 0.000) 0.140 2.994 ( -1.718 -2.975 0.000) 3.436 3.064 ( 1.219 2.111 0.000) 2.437 3.080 ( 2.110 3.655 0.000) 4.220 3.106 ( -0.666 -1.154 0.000) 1.332 3.243 ( 1.366 2.367 0.000) 2.733 3.263 ( -6.835 -11.838 0.000) 13.669 3.399 ( 2.434 4.215 0.000) 4.867 3.451 ( -0.106 -0.183 0.000) 0.211 3.455 ( -1.313 -2.274 0.000) 2.626 3.585 ( 2.130 3.689 0.000) 4.260 3.851 ( 2.306 3.994 0.000) 4.612 3.895 ( 1.358 2.352 0.000) 2.716 3.914 ( -0.302 -0.524 0.000) 0.605 3.975 ( 1.120 1.941 0.000) 2.241 4.072 ( -3.591 -6.221 0.000) 7.183 4.127 ( -2.556 -4.426 0.000) 5.111 4.129 ( 3.042 5.269 0.000) 6.084 4.404 ( 1.909 3.306 0.000) 3.817 4.456 ( 1.334 2.310 0.000) 2.668 4.473 ( -3.176 -5.502 0.000) 6.353 4.481 ( 0.284 0.492 0.000) 0.568 4.509 ( -1.608 -2.785 0.000) 3.216 4.748 ( 1.785 3.092 0.000) 3.571 4.751 ( -1.544 -2.674 0.000) 3.088 4.818 ( -2.034 -3.523 0.000) 4.068 5.011 ( -1.066 -1.846 0.000) 2.132 5.017 ( 1.714 2.968 0.000) 3.427 5.097 ( -2.073 -3.591 0.000) 4.146 5.336 ( 1.293 2.239 0.000) 2.585 5.433 ( 1.720 2.980 0.000) 3.441 5.438 ( 1.954 3.385 0.000) 3.908 5.520 ( -1.752 -3.034 0.000) 3.503 5.634 ( 1.662 2.878 0.000) 3.324 5.693 ( -2.303 -3.988 0.000) 4.605 5.721 ( 1.046 1.811 0.000) 2.091 5.765 ( 4.533 7.852 0.000) 9.066 5.966 ( -4.436 -7.683 0.000) 8.871 5.994 ( -3.592 -6.221 0.000) 7.183 6.010 ( -0.187 -0.324 0.000) 0.374 6.020 ( -0.572 -0.991 0.000) 1.144 6.250 ( 0.593 1.027 0.000) 1.186 6.381 ( 4.001 6.930 0.000) 8.002 6.476 ( -2.360 -4.088 0.000) 4.720 6.689 ( -1.443 -2.500 0.000) 2.887 6.983 ( 0.307 0.532 0.000) 0.614 7.014 ( -1.556 -2.696 0.000) 3.113 7.267 ( 0.515 0.892 0.000) 1.030 7.370 ( 1.588 2.750 0.000) 3.175 7.449 ( 0.171 0.296 0.000) 0.341 7.503 ( -1.339 -2.320 0.000) 2.678 8.242 ( -0.039 -0.067 0.000) 0.078 8.365 ( 0.420 0.728 0.000) 0.840 8.382 ( -0.126 -0.218 0.000) 0.251 8.439 ( 0.953 1.651 0.000) 1.907 8.472 ( -0.815 -1.412 0.000) 1.630 9.187 ( 0.968 1.677 0.000) 1.936 9.332 ( 1.939 3.359 0.000) 3.879 9.419 ( -2.633 -4.560 0.000) 5.266 ======================= Grid point 55 (9/32) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.000 -0.000 23.196) 23.196 0.500 ( 0.000 -0.000 23.196) 23.196 0.946 ( 0.000 -0.000 43.621) 43.621 2.407 ( 0.000 -0.000 2.624) 2.624 2.407 ( -0.000 -0.000 2.624) 2.624 2.607 ( 0.000 0.000 -9.804) 9.804 2.607 ( -0.000 0.000 -9.804) 9.804 2.626 ( -0.000 0.000 -2.776) 2.776 2.788 ( 0.000 -0.000 -17.122) 17.122 2.788 ( 0.000 -0.000 -17.122) 17.122 2.940 ( 0.000 0.000 4.916) 4.916 3.007 ( -0.000 0.000 -1.211) 1.211 3.007 ( 0.000 0.000 -1.211) 1.211 3.339 ( -0.000 0.000 6.680) 6.680 3.339 ( 0.000 -0.000 6.680) 6.680 3.445 ( 0.000 -0.000 -0.670) 0.670 3.624 ( -0.000 0.000 -1.584) 1.584 3.684 ( 0.000 -0.000 -1.842) 1.842 3.684 ( -0.000 0.000 -1.842) 1.842 3.947 ( 0.000 -0.000 0.166) 0.166 3.988 ( -0.000 0.000 0.024) 0.024 3.988 ( 0.000 0.000 0.024) 0.024 4.053 ( -0.000 0.000 0.009) 0.009 4.192 ( -0.000 0.000 -4.624) 4.624 4.276 ( 0.000 0.000 -2.182) 2.182 4.304 ( 0.000 -0.000 -9.221) 9.221 4.358 ( -0.000 0.000 -8.476) 8.476 4.358 ( 0.000 0.000 -8.476) 8.476 4.522 ( 0.000 0.000 -9.158) 9.158 4.522 ( 0.000 0.000 -9.158) 9.158 4.647 ( 0.000 0.000 -9.539) 9.539 4.699 ( 0.000 0.000 4.863) 4.863 4.699 ( 0.000 0.000 4.863) 4.863 4.910 ( 0.000 0.000 2.977) 2.977 4.910 ( -0.000 -0.000 2.977) 2.977 5.419 ( 0.000 0.000 3.695) 3.695 5.419 ( 0.000 0.000 3.695) 3.695 5.438 ( 0.000 -0.000 1.166) 1.166 5.438 ( 0.000 0.000 1.166) 1.166 5.559 ( 0.000 -0.000 21.224) 21.224 5.705 ( 0.000 -0.000 13.265) 13.265 5.705 ( 0.000 -0.000 13.265) 13.265 5.730 ( 0.000 0.000 -9.634) 9.634 6.009 ( 0.000 0.000 0.502) 0.502 6.009 ( -0.000 -0.000 0.502) 0.502 6.049 ( 0.000 0.000 -0.586) 0.586 6.049 ( -0.000 -0.000 -0.586) 0.586 6.190 ( -0.000 0.000 0.218) 0.218 6.665 ( -0.000 0.000 3.153) 3.153 6.665 ( 0.000 -0.000 3.153) 3.153 6.713 ( 0.000 -0.000 3.421) 3.421 6.807 ( -0.000 0.000 -0.514) 0.514 6.807 ( 0.000 0.000 -0.514) 0.514 7.150 ( 0.000 0.000 0.538) 0.538 7.242 ( 0.000 0.000 -3.898) 3.898 7.249 ( 0.000 0.000 -0.503) 0.503 7.456 ( 0.000 0.000 -4.107) 4.107 7.456 ( 0.000 0.000 -4.107) 4.107 8.320 ( 0.000 -0.000 1.211) 1.211 8.320 ( 0.000 0.000 1.211) 1.211 8.355 ( -0.000 -0.000 4.576) 4.576 8.567 ( 0.000 0.000 -1.311) 1.311 8.567 ( 0.000 0.000 -1.311) 1.311 8.932 ( 0.000 -0.000 -2.908) 2.908 9.129 ( 0.000 0.000 0.284) 0.284 9.378 ( 0.000 -0.000 -1.261) 1.261 ======================= Grid point 56 (10/32) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 12.608 7.279 18.028) 23.172 0.737 ( 16.041 9.261 17.766) 25.665 1.286 ( 27.750 16.021 28.046) 42.582 2.349 ( -6.583 -3.801 3.390) 8.324 2.427 ( -1.576 -0.910 -3.054) 3.555 2.500 ( -2.011 -1.161 -2.130) 3.150 2.603 ( -0.009 -0.005 -13.287) 13.287 2.744 ( -1.367 -0.789 -8.112) 8.264 2.767 ( 7.892 4.556 -8.068) 12.171 2.836 ( 4.697 2.712 -10.777) 12.065 2.955 ( -0.761 -0.439 0.956) 1.298 3.007 ( 0.180 0.104 -5.789) 5.792 3.051 ( 3.247 1.874 -4.528) 5.878 3.283 ( -4.414 -2.549 4.498) 6.798 3.392 ( 5.423 3.131 5.565) 8.378 3.502 ( 4.818 2.781 0.198) 5.566 3.519 ( -6.395 -3.692 -3.474) 8.160 3.654 ( -3.505 -2.023 0.741) 4.114 3.722 ( 2.355 1.359 0.144) 2.723 3.831 ( -1.359 -0.785 -3.435) 3.776 3.889 ( -5.375 -3.103 0.095) 6.207 4.062 ( 1.068 0.617 0.820) 1.481 4.125 ( 1.175 0.678 0.183) 1.369 4.201 ( 1.910 1.103 -4.186) 4.731 4.244 ( -1.424 -0.822 -1.867) 2.488 4.293 ( -5.516 -3.185 -11.045) 12.750 4.324 ( 0.057 0.033 -4.737) 4.737 4.411 ( 5.350 3.089 -1.098) 6.274 4.521 ( 0.916 0.529 -7.760) 7.831 4.604 ( 4.089 2.361 -5.601) 7.326 4.724 ( 3.589 2.072 -1.249) 4.328 4.755 ( 4.216 2.434 -1.500) 5.094 4.823 ( 8.314 4.800 -4.434) 10.575 4.899 ( -0.824 -0.476 3.271) 3.407 4.926 ( 1.358 0.784 -0.972) 1.845 5.337 ( -4.039 -2.332 7.624) 8.937 5.367 ( -3.476 -2.007 3.289) 5.189 5.424 ( -2.129 -1.229 3.656) 4.406 5.434 ( -1.602 -0.925 2.088) 2.789 5.520 ( -3.842 -2.218 8.124) 9.256 5.646 ( -4.581 -2.645 11.617) 12.764 5.726 ( 0.148 0.085 -4.619) 4.623 5.764 ( 3.892 2.247 12.670) 13.443 5.967 ( -3.453 -1.994 1.279) 4.188 6.014 ( 0.207 0.120 1.080) 1.106 6.022 ( -0.454 -0.262 4.550) 4.580 6.040 ( -0.411 -0.237 -0.509) 0.696 6.185 ( 0.036 0.021 -0.070) 0.081 6.500 ( -8.748 -5.051 5.410) 11.459 6.634 ( -6.750 -3.897 -1.851) 8.011 6.747 ( -5.117 -2.954 -0.775) 5.959 6.777 ( 1.585 0.915 4.079) 4.471 6.837 ( 1.793 1.035 3.450) 4.024 7.071 ( -1.355 -0.782 1.655) 2.277 7.162 ( 1.045 0.603 0.590) 1.343 7.267 ( 0.928 0.536 -0.663) 1.260 7.473 ( 1.525 0.881 -3.637) 4.041 7.550 ( -0.330 -0.190 -8.535) 8.543 8.295 ( -1.331 -0.768 1.810) 2.374 8.337 ( 1.427 0.824 1.112) 1.988 8.375 ( 0.787 0.454 3.831) 3.938 8.448 ( -4.718 -2.724 3.825) 6.656 8.555 ( -1.099 -0.634 -1.089) 1.672 8.988 ( 3.326 1.920 -3.527) 5.215 9.155 ( 2.316 1.337 0.301) 2.691 9.479 ( 3.967 2.290 -7.541) 8.823 ======================= Grid point 57 (11/32) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 15.934 9.200 12.709) 22.362 1.102 ( 17.204 9.933 12.293) 23.361 1.911 ( 24.333 14.048 8.644) 29.396 2.121 ( -13.509 -7.800 2.559) 15.808 2.292 ( -5.087 -2.937 -1.616) 6.092 2.571 ( 5.091 2.939 -5.362) 7.957 2.629 ( 2.284 1.319 -12.205) 12.487 2.738 ( -0.030 -0.017 -6.334) 6.334 2.915 ( -2.529 -1.460 -0.418) 2.950 2.921 ( 6.884 3.975 -6.821) 10.475 3.002 ( -0.410 -0.237 -10.301) 10.312 3.005 ( 9.233 5.331 -2.138) 10.874 3.105 ( 1.470 0.849 -5.812) 6.055 3.214 ( -1.098 -0.634 -0.085) 1.271 3.382 ( -5.691 -3.286 -4.767) 8.118 3.531 ( 3.363 1.941 2.420) 4.576 3.571 ( -4.284 -2.473 -5.022) 7.049 3.619 ( 7.113 4.107 3.913) 9.098 3.766 ( 4.390 2.535 1.296) 5.233 3.830 ( -0.911 -0.526 -0.685) 1.255 3.855 ( 1.149 0.663 1.618) 2.093 4.038 ( -5.977 -3.451 0.322) 6.909 4.102 ( 2.452 1.416 3.714) 4.671 4.157 ( -2.272 -1.312 0.221) 2.632 4.226 ( -0.633 -0.366 -5.789) 5.835 4.294 ( -2.348 -1.355 -1.668) 3.183 4.325 ( 3.329 1.922 -0.659) 3.900 4.477 ( 1.434 0.828 -0.607) 1.764 4.603 ( 5.431 3.135 -5.558) 8.379 4.673 ( 1.588 0.917 0.774) 1.990 4.740 ( -7.294 -4.211 1.789) 8.610 4.761 ( -4.840 -2.794 -4.369) 7.094 4.832 ( 3.507 2.025 -4.721) 6.220 4.934 ( 3.927 2.267 2.034) 4.969 5.063 ( 6.449 3.723 -1.535) 7.603 5.244 ( -9.114 -5.262 2.894) 10.914 5.274 ( -4.941 -2.853 3.543) 6.716 5.370 ( 1.080 0.624 4.912) 5.068 5.426 ( 3.493 2.017 2.199) 4.594 5.467 ( -0.712 -0.411 -0.093) 0.827 5.565 ( -2.210 -1.276 7.196) 7.635 5.727 ( -0.018 -0.010 -4.117) 4.117 5.817 ( 0.191 0.110 11.511) 11.514 5.886 ( -3.263 -1.884 2.420) 4.478 6.007 ( -0.998 -0.576 0.269) 1.183 6.041 ( 0.202 0.117 0.899) 0.929 6.059 ( 3.137 1.811 4.577) 5.837 6.202 ( 1.473 0.850 0.424) 1.753 6.332 ( -6.374 -3.680 6.602) 9.887 6.401 ( -12.746 -7.359 -2.537) 14.934 6.625 ( -5.109 -2.950 -1.106) 6.002 6.793 ( -3.699 -2.136 1.100) 4.410 6.870 ( 5.419 3.129 4.349) 7.620 7.159 ( 5.505 3.179 -1.378) 6.505 7.181 ( 0.193 0.111 0.563) 0.606 7.278 ( 0.349 0.202 -1.147) 1.216 7.465 ( -5.744 -3.316 -4.379) 7.948 7.511 ( 1.678 0.969 -2.535) 3.190 8.276 ( -0.438 -0.253 2.203) 2.260 8.371 ( -0.753 -0.435 2.579) 2.722 8.376 ( 2.088 1.206 0.885) 2.568 8.407 ( -0.355 -0.205 1.801) 1.847 8.522 ( -1.907 -1.101 -0.522) 2.263 9.057 ( 2.845 1.643 -3.586) 4.863 9.224 ( 3.950 2.280 0.102) 4.562 9.500 ( -1.265 -0.730 -4.938) 5.149 ======================= Grid point 58 (12/32) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 12.426 7.174 10.819) 17.970 1.434 ( 11.693 6.751 9.640) 16.590 1.826 ( -11.828 -6.829 2.119) 13.821 1.964 ( -8.031 -4.637 -4.467) 10.293 2.493 ( 11.268 6.506 -9.321) 16.006 2.671 ( 3.489 2.014 -0.306) 4.040 2.681 ( 1.858 1.073 -10.710) 10.923 2.734 ( -0.148 -0.086 -6.796) 6.798 2.858 ( -2.138 -1.234 -4.425) 5.067 2.999 ( 0.086 0.050 -9.941) 9.941 3.028 ( 1.265 0.730 -1.655) 2.207 3.128 ( 1.386 0.800 -8.903) 9.045 3.191 ( 7.774 4.488 1.678) 9.133 3.236 ( 2.668 1.540 -0.590) 3.136 3.311 ( -1.210 -0.699 -4.161) 4.389 3.459 ( -5.609 -3.238 -5.004) 8.185 3.526 ( -0.935 -0.540 3.970) 4.114 3.753 ( -4.172 -2.409 2.795) 5.569 3.781 ( 5.291 3.055 0.524) 6.132 3.856 ( -0.195 -0.112 0.450) 0.503 3.946 ( 9.003 5.198 5.449) 11.737 3.994 ( 0.466 0.269 1.378) 1.479 4.067 ( -4.702 -2.715 2.835) 6.125 4.123 ( -2.245 -1.296 7.749) 8.171 4.216 ( -1.158 -0.668 -2.945) 3.235 4.247 ( -1.156 -0.667 1.136) 1.753 4.398 ( 4.928 2.845 0.203) 5.694 4.493 ( -0.589 -0.340 -1.339) 1.502 4.537 ( -7.775 -4.489 0.547) 8.994 4.642 ( -2.502 -1.444 -8.325) 8.812 4.720 ( 1.036 0.598 0.256) 1.223 4.729 ( 5.001 2.887 -0.608) 5.807 4.936 ( 5.242 3.026 -1.717) 6.292 4.978 ( -1.934 -1.116 -0.256) 2.248 5.037 ( -6.073 -3.506 5.551) 8.944 5.060 ( -5.897 -3.405 3.608) 7.707 5.235 ( 1.971 1.138 -1.546) 2.751 5.428 ( 0.554 0.320 -1.049) 1.228 5.481 ( 2.935 1.695 -2.437) 4.175 5.511 ( 0.362 0.209 2.334) 2.371 5.615 ( 8.293 4.788 0.772) 9.607 5.726 ( 0.173 0.100 -0.257) 0.325 5.777 ( -2.909 -1.679 2.801) 4.373 5.847 ( -0.563 -0.325 9.055) 9.078 5.941 ( -5.924 -3.420 -3.736) 7.795 6.042 ( -0.000 -0.000 2.622) 2.622 6.101 ( 0.395 0.228 4.906) 4.927 6.174 ( -5.802 -3.350 0.440) 6.714 6.233 ( -0.304 -0.175 3.402) 3.420 6.250 ( 0.037 0.021 1.972) 1.972 6.555 ( -1.286 -0.743 -0.189) 1.497 6.717 ( -2.541 -1.467 -1.370) 3.238 6.973 ( 3.352 1.935 3.598) 5.285 7.163 ( -1.283 -0.741 0.217) 1.497 7.247 ( 2.349 1.356 -1.811) 3.261 7.287 ( 0.370 0.214 -1.309) 1.377 7.361 ( -3.051 -1.762 -2.180) 4.143 7.537 ( 0.671 0.387 -1.733) 1.899 8.274 ( 0.049 0.028 3.015) 3.016 8.358 ( -0.413 -0.238 1.580) 1.650 8.403 ( -0.080 -0.046 0.447) 0.457 8.421 ( 1.949 1.125 0.577) 2.323 8.478 ( -1.951 -1.126 0.124) 2.256 9.100 ( 1.035 0.598 -3.793) 3.977 9.309 ( 3.311 1.912 -1.173) 3.999 9.453 ( -2.412 -1.393 -1.771) 3.301 ======================= Grid point 63 (13/32) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 10.876 18.837 13.036) 25.359 0.990 ( 9.649 16.712 12.908) 23.217 1.736 ( 16.170 28.008 15.273) 35.766 2.293 ( -2.901 -5.024 3.044) 6.552 2.299 ( -6.278 -10.874 -2.014) 12.717 2.417 ( -2.306 -3.993 -5.256) 6.992 2.655 ( 1.897 3.286 -15.028) 15.500 2.781 ( 2.956 5.120 -4.990) 7.736 2.868 ( 2.309 4.000 -7.136) 8.500 2.909 ( 3.241 5.614 -5.364) 8.414 2.984 ( 1.671 2.894 0.687) 3.412 3.007 ( 0.222 0.384 -8.535) 8.546 3.095 ( 1.811 3.137 -7.624) 8.440 3.215 ( -2.042 -3.537 2.588) 4.835 3.441 ( -0.249 -0.431 1.755) 1.824 3.456 ( -2.035 -3.525 -5.957) 7.215 3.563 ( 0.852 1.476 0.021) 1.705 3.620 ( 2.103 3.642 2.056) 4.681 3.749 ( 1.906 3.301 1.399) 4.061 3.843 ( 1.192 2.064 -1.280) 2.705 3.846 ( -2.661 -4.609 0.917) 5.400 4.075 ( 0.077 0.133 1.903) 1.909 4.107 ( -3.533 -6.119 2.155) 7.387 4.125 ( 0.525 0.910 -1.377) 1.732 4.222 ( -1.850 -3.204 -9.735) 10.415 4.248 ( 1.072 1.856 -4.197) 4.712 4.449 ( 2.493 4.318 2.891) 5.764 4.451 ( 1.806 3.128 2.261) 4.261 4.535 ( 0.990 1.715 -7.320) 7.583 4.657 ( 1.816 3.145 -3.278) 4.892 4.762 ( -0.142 -0.247 0.102) 0.302 4.798 ( -1.708 -2.959 -4.006) 5.265 4.846 ( -0.446 -0.773 -3.963) 4.062 4.900 ( 1.627 2.817 2.932) 4.379 5.002 ( 3.307 5.729 -1.475) 6.777 5.273 ( -1.203 -2.084 2.740) 3.646 5.342 ( -2.262 -3.918 1.829) 4.880 5.374 ( -2.246 -3.889 3.887) 5.939 5.408 ( -0.473 -0.819 7.339) 7.400 5.453 ( -1.063 -1.841 3.013) 3.688 5.571 ( -1.209 -2.094 4.977) 5.533 5.741 ( 0.017 0.029 -4.489) 4.490 5.815 ( 1.298 2.248 14.957) 15.180 5.890 ( -3.477 -6.022 1.183) 7.053 6.026 ( -0.234 -0.405 -0.227) 0.520 6.038 ( 0.940 1.628 3.256) 3.760 6.051 ( 2.033 3.521 2.236) 4.640 6.194 ( 0.503 0.871 -0.050) 1.007 6.389 ( -4.322 -7.486 6.065) 10.559 6.430 ( -6.896 -11.945 -0.885) 13.821 6.663 ( -3.555 -6.157 -1.238) 7.217 6.786 ( -0.141 -0.244 4.127) 4.137 6.936 ( 1.775 3.074 0.998) 3.687 7.022 ( 0.383 0.663 -0.102) 0.772 7.194 ( 1.367 2.367 0.477) 2.775 7.299 ( 0.731 1.265 -1.338) 1.981 7.494 ( 0.766 1.327 -2.978) 3.349 7.506 ( -2.438 -4.223 -5.106) 7.061 8.280 ( -0.373 -0.646 2.085) 2.214 8.360 ( 0.874 1.514 0.984) 2.006 8.383 ( 0.054 0.094 3.294) 3.295 8.407 ( -0.520 -0.900 1.897) 2.163 8.534 ( -0.930 -1.610 -0.681) 1.980 9.041 ( 1.919 3.324 -3.621) 5.276 9.200 ( 1.960 3.395 0.339) 3.935 9.504 ( -0.222 -0.385 -5.848) 5.865 ======================= Grid point 64 (14/32) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 8.040 18.802 8.928) 22.313 1.329 ( 13.294 14.358 9.269) 21.652 2.005 ( -14.626 -5.258 2.579) 15.755 2.107 ( -9.945 4.338 -5.132) 12.003 2.266 ( 16.441 2.267 2.761) 16.825 2.443 ( 11.058 -10.542 -3.776) 15.738 2.712 ( 0.460 5.482 -11.946) 13.152 2.821 ( -2.173 2.806 -9.530) 10.169 2.923 ( -3.110 2.390 -5.484) 6.742 2.991 ( 2.898 3.032 -4.134) 5.889 3.016 ( 1.386 3.458 -4.960) 6.203 3.091 ( 5.201 0.425 2.230) 5.675 3.162 ( 1.750 5.460 -6.552) 8.707 3.204 ( 3.184 1.765 -3.283) 4.903 3.346 ( -4.904 0.070 -4.948) 6.967 3.443 ( 0.848 -6.954 -4.857) 8.524 3.551 ( -0.838 -0.767 2.639) 2.873 3.664 ( -4.229 -10.058 2.704) 11.241 3.767 ( 5.826 5.406 2.324) 8.280 3.881 ( 4.903 6.626 3.933) 9.133 3.896 ( 2.448 2.855 1.151) 3.933 4.040 ( -3.154 2.055 1.653) 4.111 4.075 ( -0.105 -0.826 3.187) 3.294 4.146 ( -1.878 -0.676 -1.438) 2.460 4.187 ( 1.029 -0.425 -1.101) 1.566 4.283 ( 2.954 -0.844 -3.614) 4.744 4.428 ( -5.933 5.310 3.159) 8.566 4.507 ( -1.886 -0.971 1.432) 2.559 4.586 ( -0.416 -4.213 -2.717) 5.030 4.611 ( -0.209 -5.176 2.296) 5.666 4.700 ( -1.990 -0.861 -1.378) 2.569 4.744 ( 0.795 2.087 -3.822) 4.427 4.890 ( 1.528 3.522 -1.432) 4.098 4.960 ( 1.469 -0.419 1.830) 2.384 5.060 ( 2.012 -3.688 2.633) 4.959 5.166 ( -9.519 -2.260 0.955) 9.830 5.265 ( -1.871 2.415 -0.351) 3.075 5.383 ( 2.333 -2.441 -0.666) 3.441 5.413 ( 5.342 0.621 0.917) 5.455 5.524 ( 3.527 6.839 1.020) 7.762 5.569 ( 0.686 1.981 2.716) 3.431 5.721 ( -1.310 -2.784 -0.588) 3.133 5.775 ( -1.712 -4.959 0.240) 5.252 5.841 ( 0.826 -0.546 10.547) 10.594 6.003 ( -4.225 -0.430 -1.092) 4.385 6.044 ( -0.139 -0.027 2.376) 2.381 6.091 ( -0.747 -3.521 -0.362) 3.617 6.188 ( -2.861 -2.880 2.400) 4.715 6.259 ( -2.549 -1.479 6.109) 6.783 6.303 ( -0.181 1.591 1.174) 1.985 6.554 ( -2.651 -4.310 -0.329) 5.071 6.748 ( -2.934 -2.344 0.877) 3.856 6.954 ( 0.639 2.499 0.719) 2.677 7.068 ( 3.745 -5.875 -1.213) 7.072 7.243 ( 2.180 1.815 -0.018) 2.836 7.307 ( -0.729 2.098 -1.552) 2.709 7.429 ( -4.054 0.132 -1.903) 4.480 7.519 ( 1.419 -0.378 -1.815) 2.335 8.275 ( -0.030 0.111 2.748) 2.750 8.370 ( -0.920 0.375 1.590) 1.875 8.390 ( 1.082 -0.296 0.993) 1.498 8.414 ( 0.805 1.499 0.686) 1.835 8.498 ( -1.617 -1.324 -0.118) 2.093 9.096 ( 1.259 2.242 -4.235) 4.954 9.274 ( 3.261 2.960 0.027) 4.404 9.469 ( -1.937 -2.659 -2.855) 4.356 ======================= Grid point 65 (15/32) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.729 6.458 7.904) 10.867 1.613 ( -6.864 11.889 10.042) 17.010 1.740 ( 1.207 -2.090 1.887) 3.063 1.988 ( -4.878 8.450 -5.914) 11.409 2.458 ( 4.679 -8.105 -16.117) 18.637 2.488 ( 8.109 -14.044 4.254) 16.766 2.758 ( -3.212 5.564 -9.668) 11.608 2.818 ( -1.488 2.578 -9.872) 10.311 2.872 ( -1.236 2.140 -7.165) 7.579 3.031 ( -1.006 1.742 -3.783) 4.284 3.052 ( -0.944 1.636 0.247) 1.905 3.152 ( -0.789 1.367 -10.463) 10.581 3.200 ( 2.336 -4.046 2.960) 5.530 3.275 ( -0.087 0.151 -9.013) 9.014 3.336 ( -2.239 3.878 3.340) 5.587 3.358 ( 2.334 -4.043 -3.740) 5.982 3.525 ( 1.399 -2.422 4.307) 5.136 3.602 ( 2.214 -3.835 2.434) 5.053 3.863 ( -0.542 0.939 1.025) 1.492 3.902 ( -1.427 2.471 1.682) 3.312 3.987 ( 0.190 -0.329 2.561) 2.589 4.038 ( -0.901 1.560 3.376) 3.827 4.066 ( -2.945 5.100 3.252) 6.728 4.138 ( -1.327 2.298 8.037) 8.464 4.145 ( 1.908 -3.305 -2.979) 4.842 4.312 ( -1.259 2.181 -1.505) 2.934 4.421 ( 1.986 -3.441 -1.864) 4.388 4.434 ( 0.008 -0.014 0.224) 0.225 4.492 ( -0.018 0.030 -1.164) 1.165 4.641 ( 1.974 -3.418 2.207) 4.522 4.739 ( -3.081 5.336 -6.173) 8.722 4.750 ( 0.140 -0.242 1.737) 1.759 4.925 ( 2.363 -4.092 5.146) 6.986 4.940 ( 0.337 -0.583 3.112) 3.184 5.027 ( -1.172 2.029 -3.210) 3.974 5.077 ( -0.952 1.648 1.792) 2.614 5.275 ( -1.817 3.147 -1.064) 3.786 5.388 ( 1.555 -2.694 -2.406) 3.933 5.507 ( 0.188 -0.326 -4.138) 4.155 5.534 ( -0.416 0.720 4.624) 4.698 5.658 ( -0.522 0.904 -0.994) 1.441 5.680 ( 2.066 -3.579 0.729) 4.196 5.768 ( 0.457 -0.792 3.250) 3.377 5.852 ( 2.156 -3.735 -3.225) 5.385 5.873 ( -1.683 2.915 4.789) 5.854 6.050 ( -0.438 0.758 4.073) 4.166 6.062 ( 1.593 -2.759 -0.243) 3.196 6.125 ( 1.403 -2.429 6.940) 7.486 6.246 ( -0.993 1.719 3.320) 3.868 6.343 ( -4.128 7.150 0.293) 8.262 6.515 ( 1.711 -2.964 1.956) 3.942 6.698 ( 0.374 -0.647 -1.211) 1.423 6.985 ( 0.635 -1.101 0.295) 1.305 7.050 ( 4.189 -7.256 -1.414) 8.497 7.271 ( 0.318 -0.551 -0.641) 0.903 7.326 ( -2.162 3.745 -1.117) 4.466 7.388 ( -1.893 3.278 -0.865) 3.883 7.529 ( 0.846 -1.466 -1.252) 2.106 8.276 ( -0.114 0.197 3.309) 3.317 8.363 ( -0.412 0.714 1.190) 1.447 8.396 ( 0.341 -0.591 0.220) 0.717 8.441 ( -0.347 0.601 0.433) 0.817 8.468 ( -0.128 0.221 0.305) 0.398 9.117 ( -0.599 1.038 -4.507) 4.664 9.332 ( -0.238 0.412 -1.148) 1.243 9.423 ( 0.847 -1.467 -0.700) 1.833 ======================= Grid point 72 (16/32) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 5.932 10.275 5.065) 12.900 1.625 ( 6.546 11.338 5.328) 14.135 1.875 ( -3.283 -5.686 4.449) 7.931 2.182 ( 0.849 1.471 -0.467) 1.761 2.250 ( -3.543 -6.137 0.276) 7.092 2.312 ( 0.328 0.568 -14.656) 14.671 2.817 ( 2.290 3.966 -10.901) 11.824 2.830 ( -0.021 -0.036 -12.508) 12.509 2.948 ( 0.979 1.695 -5.935) 6.250 3.045 ( 0.493 0.854 1.582) 1.864 3.059 ( -0.294 -0.509 0.780) 0.977 3.076 ( 1.451 2.514 0.564) 2.957 3.206 ( -3.863 -6.691 -3.583) 8.516 3.235 ( 0.494 0.856 -14.412) 14.446 3.360 ( 1.073 1.858 -1.845) 2.830 3.385 ( 0.482 0.835 -4.611) 4.711 3.465 ( -2.290 -3.967 8.223) 9.413 3.605 ( 1.987 3.441 2.875) 4.904 3.861 ( 1.629 2.821 0.731) 3.339 3.925 ( 0.733 1.270 1.971) 2.457 3.971 ( 0.115 0.199 5.372) 5.377 4.058 ( 1.346 2.331 2.431) 3.627 4.089 ( -0.365 -0.632 0.283) 0.782 4.161 ( -2.824 -4.890 4.028) 6.937 4.173 ( 3.804 6.589 1.642) 7.784 4.282 ( 0.612 1.060 -7.247) 7.350 4.387 ( -5.353 -9.272 -0.897) 10.743 4.473 ( 0.688 1.191 0.985) 1.692 4.523 ( -0.558 -0.967 0.358) 1.172 4.554 ( -0.925 -1.601 1.847) 2.614 4.779 ( 1.265 2.192 3.025) 3.944 4.780 ( 4.061 7.034 2.916) 8.629 4.905 ( -2.416 -4.185 4.651) 6.707 4.944 ( -1.065 -1.844 -4.156) 4.669 5.004 ( 0.929 1.609 1.109) 2.163 5.097 ( -3.112 -5.390 0.413) 6.237 5.321 ( 1.966 3.405 -1.277) 4.134 5.388 ( 0.935 1.619 -3.568) 4.028 5.438 ( 0.648 1.122 -3.526) 3.757 5.552 ( -2.713 -4.699 3.607) 6.515 5.664 ( 3.674 6.364 -0.087) 7.349 5.669 ( 1.254 2.171 0.338) 2.530 5.732 ( -0.555 -0.961 -0.608) 1.265 5.818 ( -2.216 -3.838 3.269) 5.507 5.941 ( -1.605 -2.780 -0.903) 3.334 6.006 ( -1.527 -2.645 -0.324) 3.072 6.061 ( 0.360 0.624 5.126) 5.176 6.103 ( -2.363 -4.094 7.343) 8.733 6.270 ( 0.579 1.003 2.217) 2.502 6.419 ( 3.874 6.710 3.451) 8.482 6.487 ( -1.404 -2.432 1.457) 3.164 6.692 ( -1.947 -3.372 0.064) 3.895 6.952 ( -0.282 -0.488 -2.543) 2.604 6.981 ( -1.971 -3.413 -2.916) 4.903 7.269 ( 0.549 0.950 0.217) 1.119 7.359 ( 1.542 2.671 -1.001) 3.242 7.443 ( 0.475 0.823 -0.444) 1.049 7.495 ( -1.019 -1.765 -0.683) 2.149 8.278 ( 0.106 0.184 3.416) 3.422 8.377 ( 0.056 0.097 0.960) 0.967 8.384 ( -0.038 -0.066 0.198) 0.212 8.445 ( 0.884 1.531 0.485) 1.834 8.474 ( -0.726 -1.257 0.231) 1.470 9.129 ( 0.597 1.034 -5.421) 5.550 9.332 ( 1.849 3.203 0.090) 3.699 9.408 ( -1.984 -3.436 -0.864) 4.061 ======================= Grid point 110 (17/32) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 0.000 20.169) 20.169 0.957 ( 0.000 0.000 20.169) 20.169 1.780 ( 0.000 0.000 34.456) 34.456 2.174 ( -0.000 -0.000 -19.527) 19.527 2.174 ( -0.000 0.000 -19.527) 19.527 2.463 ( 0.000 -0.000 -12.101) 12.101 2.463 ( 0.000 -0.000 -12.101) 12.101 2.561 ( 0.000 -0.000 -3.051) 3.051 2.603 ( -0.000 0.000 0.785) 0.785 2.603 ( -0.000 0.000 0.785) 0.785 2.955 ( 0.000 0.000 0.547) 0.547 2.955 ( 0.000 -0.000 0.547) 0.547 3.075 ( 0.000 0.000 7.525) 7.525 3.405 ( 0.000 0.000 -0.447) 0.447 3.405 ( 0.000 0.000 -0.447) 0.447 3.418 ( 0.000 -0.000 -2.001) 2.001 3.597 ( 0.000 0.000 -0.547) 0.547 3.708 ( 0.000 -0.000 4.006) 4.006 3.708 ( 0.000 0.000 4.006) 4.006 3.900 ( 0.000 0.000 -5.650) 5.650 3.999 ( 0.000 -0.000 1.287) 1.287 3.999 ( 0.000 0.000 1.287) 1.287 4.057 ( 0.000 -0.000 0.558) 0.558 4.067 ( 0.000 0.000 -9.046) 9.046 4.117 ( 0.000 0.000 -1.179) 1.179 4.153 ( 0.000 0.000 -10.206) 10.206 4.153 ( 0.000 -0.000 -10.206) 10.206 4.214 ( 0.000 0.000 -3.564) 3.564 4.335 ( -0.000 0.000 -8.430) 8.430 4.335 ( -0.000 0.000 -8.430) 8.430 4.569 ( 0.000 0.000 -0.444) 0.444 4.800 ( -0.000 -0.000 4.266) 4.266 4.800 ( 0.000 0.000 4.266) 4.266 4.930 ( 0.000 -0.000 -0.360) 0.360 4.930 ( 0.000 0.000 -0.360) 0.360 5.371 ( 0.000 0.000 -22.760) 22.760 5.476 ( -0.000 -0.000 2.459) 2.459 5.476 ( 0.000 0.000 2.459) 2.459 5.527 ( -0.000 0.000 4.702) 4.702 5.527 ( 0.000 -0.000 4.702) 4.702 5.977 ( 0.000 -0.000 17.992) 17.992 5.987 ( -0.000 0.000 9.153) 9.153 5.987 ( -0.000 0.000 9.153) 9.153 6.027 ( 0.000 -0.000 0.979) 0.979 6.027 ( -0.000 0.000 0.979) 0.979 6.057 ( -0.000 0.000 5.259) 5.259 6.057 ( 0.000 0.000 5.259) 5.259 6.278 ( 0.000 0.000 6.934) 6.934 6.661 ( -0.000 0.000 -4.065) 4.065 6.661 ( 0.000 0.000 -4.065) 4.065 6.788 ( -0.000 0.000 3.020) 3.020 6.864 ( -0.000 0.000 6.114) 6.114 6.864 ( 0.000 0.000 6.114) 6.114 7.128 ( 0.000 0.000 -6.764) 6.764 7.166 ( 0.000 0.000 0.946) 0.946 7.234 ( 0.000 -0.000 -0.902) 0.902 7.337 ( 0.000 -0.000 -6.911) 6.911 7.337 ( 0.000 0.000 -6.911) 6.911 8.357 ( 0.000 0.000 2.219) 2.219 8.357 ( -0.000 -0.000 2.219) 2.219 8.469 ( 0.000 -0.000 5.961) 5.961 8.528 ( 0.000 0.000 -2.344) 2.344 8.528 ( -0.000 -0.000 -2.344) 2.344 8.848 ( 0.000 -0.000 -4.987) 4.987 9.148 ( 0.000 0.000 1.704) 1.704 9.337 ( -0.000 0.000 -2.636) 2.636 ======================= Grid point 111 (18/32) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 8.060 4.654 18.336) 20.563 1.109 ( 11.820 6.824 17.030) 21.825 1.892 ( 9.012 5.203 24.975) 27.056 2.192 ( 1.018 0.588 -16.330) 16.373 2.193 ( 0.918 0.530 -18.245) 18.276 2.375 ( -6.107 -3.526 -8.237) 10.843 2.433 ( -1.254 -0.724 -4.572) 4.796 2.573 ( 4.120 2.378 -8.942) 10.128 2.637 ( 1.676 0.968 -2.600) 3.241 2.737 ( 8.683 5.013 -1.343) 10.115 2.870 ( -6.559 -3.787 -2.787) 8.070 2.997 ( 3.990 2.304 2.314) 5.155 3.021 ( -3.743 -2.161 3.905) 5.825 3.340 ( -5.083 -2.935 0.718) 5.914 3.464 ( -9.362 -5.405 -1.881) 10.973 3.485 ( 6.563 3.789 3.078) 8.180 3.515 ( 7.738 4.468 0.620) 8.957 3.638 ( -8.025 -4.633 -2.475) 9.591 3.761 ( 3.494 2.017 3.472) 5.323 3.821 ( -0.170 -0.098 2.382) 2.390 3.890 ( -5.293 -3.056 0.347) 6.122 4.044 ( 1.259 0.727 -6.768) 6.923 4.049 ( 0.240 0.139 -5.094) 5.102 4.076 ( 1.997 1.153 -0.562) 2.373 4.158 ( 0.947 0.547 -2.111) 2.378 4.183 ( 1.560 0.901 -6.952) 7.182 4.252 ( 6.402 3.696 0.120) 7.394 4.341 ( 3.010 1.738 -6.619) 7.476 4.372 ( 8.754 5.054 -4.274) 10.974 4.434 ( 5.873 3.391 -9.563) 11.723 4.635 ( 6.222 3.592 -4.681) 8.574 4.780 ( -1.935 -1.117 2.889) 3.652 4.810 ( 0.890 0.514 3.358) 3.511 4.926 ( -0.275 -0.159 -0.440) 0.542 4.963 ( 2.828 1.633 0.471) 3.299 5.335 ( -2.464 -1.423 -16.217) 16.464 5.433 ( -3.497 -2.019 3.262) 5.191 5.475 ( -2.127 -1.228 2.579) 3.562 5.522 ( -0.843 -0.487 4.451) 4.557 5.537 ( 2.383 1.376 0.287) 2.767 5.793 ( -10.551 -6.092 13.533) 18.209 5.881 ( -8.032 -4.637 8.962) 12.897 5.989 ( -2.460 -1.420 4.505) 5.326 6.029 ( -1.076 -0.621 0.014) 1.243 6.053 ( 0.865 0.500 1.913) 2.159 6.065 ( 1.121 0.647 4.419) 4.605 6.131 ( 4.430 2.558 12.686) 13.678 6.241 ( -2.345 -1.354 4.328) 5.105 6.560 ( -8.927 -5.154 -5.086) 11.494 6.576 ( -5.914 -3.414 -0.049) 6.829 6.751 ( -4.536 -2.619 2.391) 5.757 6.899 ( 3.267 1.886 6.971) 7.926 6.907 ( 0.147 0.085 3.242) 3.247 7.048 ( -1.423 -0.822 -3.153) 3.555 7.179 ( 1.112 0.642 0.998) 1.626 7.246 ( 0.346 0.200 -1.303) 1.363 7.370 ( 2.916 1.683 -5.883) 6.779 7.374 ( 0.814 0.470 -8.414) 8.467 8.344 ( -0.743 -0.429 2.743) 2.875 8.370 ( 1.164 0.672 2.029) 2.434 8.473 ( -1.477 -0.853 3.511) 3.904 8.484 ( -1.649 -0.952 1.807) 2.625 8.522 ( -0.548 -0.317 -2.000) 2.098 8.885 ( 2.707 1.563 -6.028) 6.790 9.173 ( 2.234 1.290 1.588) 3.029 9.367 ( 2.160 1.247 -4.005) 4.718 ======================= Grid point 112 (19/32) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 12.200 7.044 14.431) 20.168 1.382 ( 12.838 7.412 12.967) 19.694 2.020 ( -0.783 -0.452 1.308) 1.590 2.098 ( -10.150 -5.860 -5.847) 13.098 2.195 ( 0.469 0.270 -8.967) 8.984 2.333 ( 2.774 1.601 -14.557) 14.905 2.492 ( 5.871 3.389 -5.894) 8.983 2.641 ( -2.198 -1.269 -3.670) 4.462 2.735 ( 10.816 6.245 -3.661) 13.015 2.739 ( -4.018 -2.320 -7.801) 9.076 2.942 ( 9.799 5.658 -2.008) 11.492 2.942 ( -3.346 -1.932 0.317) 3.877 3.103 ( 3.360 1.940 3.139) 4.991 3.238 ( -1.830 -1.057 2.459) 3.242 3.289 ( -5.787 -3.341 -3.905) 7.739 3.459 ( -7.359 -4.248 -5.325) 10.027 3.630 ( 5.353 3.090 5.262) 8.117 3.701 ( 6.567 3.792 3.589) 8.390 3.780 ( 1.884 1.088 1.178) 2.474 3.856 ( 2.416 1.395 3.067) 4.146 3.888 ( 4.046 2.336 1.657) 4.957 4.012 ( -1.991 -1.150 -1.288) 2.635 4.083 ( 0.395 0.228 -2.983) 3.018 4.141 ( 3.591 2.073 -4.149) 5.865 4.173 ( 0.717 0.414 0.106) 0.835 4.223 ( 1.884 1.088 -1.976) 2.939 4.376 ( 4.784 2.762 2.948) 6.261 4.396 ( 3.792 2.189 -3.774) 5.781 4.531 ( 3.054 1.764 -10.784) 11.346 4.575 ( 7.545 4.356 0.012) 8.712 4.710 ( -4.518 -2.609 0.634) 5.256 4.731 ( 0.375 0.217 -1.950) 1.998 4.851 ( 3.262 1.883 2.667) 4.615 4.933 ( 1.319 0.761 -2.554) 2.974 5.044 ( 4.503 2.600 -1.413) 5.388 5.273 ( -3.954 -2.283 -9.243) 10.309 5.327 ( -6.749 -3.897 4.993) 9.255 5.422 ( -1.299 -0.750 2.942) 3.303 5.495 ( -0.966 -0.557 3.523) 3.695 5.550 ( -8.966 -5.176 7.561) 12.820 5.616 ( 2.687 1.551 -2.421) 3.935 5.708 ( -6.273 -3.622 5.988) 9.398 5.915 ( -3.930 -2.269 4.240) 6.210 5.985 ( -3.552 -2.050 -1.844) 4.497 6.050 ( -1.120 -0.646 3.527) 3.756 6.087 ( 0.853 0.492 2.966) 3.125 6.167 ( -2.285 -1.319 4.144) 4.913 6.251 ( 3.928 2.268 6.147) 7.639 6.333 ( -10.604 -6.122 -3.790) 12.818 6.454 ( -4.379 -2.528 3.433) 6.112 6.637 ( -5.018 -2.897 3.402) 6.719 6.809 ( -6.068 -3.503 -0.046) 7.007 6.985 ( 4.297 2.481 6.132) 7.888 7.125 ( 4.890 2.823 -1.440) 5.827 7.196 ( -0.173 -0.100 0.719) 0.747 7.249 ( 0.395 0.228 -1.303) 1.380 7.350 ( -2.422 -1.399 -6.198) 6.800 7.439 ( 2.947 1.701 -4.145) 5.363 8.338 ( 0.312 0.180 3.350) 3.369 8.402 ( 1.688 0.975 1.555) 2.494 8.417 ( -2.018 -1.165 1.168) 2.607 8.468 ( -1.260 -0.728 4.513) 4.742 8.505 ( -1.051 -0.607 -1.116) 1.649 8.939 ( 2.111 1.219 -7.347) 7.741 9.237 ( 3.361 1.940 1.217) 4.067 9.404 ( 1.008 0.582 -3.934) 4.102 ======================= Grid point 113 (20/32) ======================= q-point: ( 0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 12.969 7.488 10.594) 18.344 1.648 ( 11.599 6.697 8.483) 15.854 1.843 ( -12.600 -7.275 0.431) 14.556 1.886 ( -9.295 -5.367 -0.648) 10.753 2.222 ( 1.034 0.597 -11.089) 11.153 2.413 ( 3.764 2.173 -16.655) 17.213 2.550 ( -4.455 -2.572 -6.293) 8.128 2.596 ( 3.011 1.738 -16.803) 17.159 2.710 ( -0.068 -0.039 -6.332) 6.332 2.888 ( -1.494 -0.862 -2.473) 3.015 2.940 ( 5.535 3.195 1.546) 6.575 3.036 ( -3.692 -2.132 -0.508) 4.294 3.122 ( 4.045 2.335 -3.271) 5.702 3.232 ( -0.300 -0.173 -3.001) 3.021 3.327 ( 1.469 0.848 -1.438) 2.223 3.377 ( 3.447 1.990 1.934) 4.426 3.668 ( -0.184 -0.106 8.442) 8.445 3.776 ( 2.472 1.427 -0.348) 2.876 3.849 ( 1.016 0.586 -1.245) 1.710 3.869 ( -0.765 -0.442 6.966) 7.022 4.021 ( 1.979 1.143 1.772) 2.892 4.046 ( 8.292 4.787 3.757) 10.285 4.067 ( -1.498 -0.865 -1.061) 2.029 4.161 ( -1.366 -0.789 -0.403) 1.628 4.203 ( 1.850 1.068 -6.217) 6.574 4.238 ( -0.893 -0.516 0.914) 1.378 4.458 ( 3.006 1.736 3.836) 5.173 4.494 ( 3.076 1.776 3.668) 5.106 4.526 ( -3.124 -1.803 -2.911) 4.635 4.565 ( -4.673 -2.698 2.394) 5.903 4.712 ( -0.401 -0.232 0.930) 1.039 4.740 ( 7.033 4.060 0.440) 8.133 4.927 ( -4.806 -2.775 -3.752) 6.699 4.934 ( 4.250 2.454 -0.202) 4.912 5.111 ( -1.397 -0.807 -0.959) 1.877 5.161 ( -2.826 -1.632 -5.467) 6.367 5.186 ( -3.498 -2.020 7.397) 8.428 5.407 ( -1.713 -0.989 0.770) 2.122 5.442 ( 0.510 0.294 0.609) 0.847 5.501 ( 0.840 0.485 -2.069) 2.286 5.664 ( 2.570 1.484 2.428) 3.834 5.697 ( 3.849 2.222 -3.691) 5.777 5.827 ( -4.155 -2.399 1.909) 5.163 5.847 ( -8.470 -4.890 -4.669) 10.838 6.030 ( 0.195 0.113 4.704) 4.710 6.088 ( -3.855 -2.226 -0.826) 4.528 6.101 ( 0.372 0.215 2.490) 2.527 6.178 ( -3.163 -1.826 -0.102) 3.654 6.333 ( 2.969 1.714 6.891) 7.697 6.402 ( -1.344 -0.776 7.258) 7.422 6.571 ( -0.690 -0.398 2.097) 2.243 6.693 ( -4.030 -2.327 -1.022) 4.764 7.068 ( 2.999 1.731 4.796) 5.915 7.169 ( -1.772 -1.023 0.236) 2.060 7.204 ( 2.119 1.223 -1.913) 3.106 7.263 ( 0.533 0.307 -0.399) 0.733 7.300 ( -1.654 -0.955 -3.452) 3.945 7.484 ( 1.118 0.646 -3.311) 3.554 8.355 ( 0.947 0.547 3.679) 3.839 8.389 ( -0.698 -0.403 1.129) 1.387 8.436 ( -1.304 -0.753 3.724) 4.017 8.437 ( 1.431 0.826 0.919) 1.891 8.479 ( -1.194 -0.689 -0.085) 1.381 8.970 ( 0.710 0.410 -8.277) 8.318 9.299 ( 1.949 1.125 0.392) 2.284 9.411 ( -0.196 -0.113 -2.166) 2.177 ======================= Grid point 118 (21/32) ======================= q-point: ( 0.14 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 8.018 13.887 15.153) 22.063 1.285 ( 6.559 11.360 13.783) 19.028 2.000 ( 1.581 2.738 5.412) 6.268 2.176 ( -1.061 -1.838 -11.351) 11.548 2.256 ( -4.281 -7.415 -6.261) 10.607 2.264 ( 2.824 4.891 -15.342) 16.348 2.432 ( 1.130 1.957 5.684) 6.116 2.618 ( 2.729 4.727 -15.009) 15.971 2.746 ( 1.376 2.384 -8.345) 8.788 2.788 ( -0.091 -0.158 0.385) 0.426 2.837 ( 2.230 3.863 -0.769) 4.526 2.949 ( 1.168 2.022 -1.990) 3.068 3.110 ( 3.007 5.208 5.259) 7.989 3.248 ( -3.652 -6.325 1.552) 7.467 3.353 ( -2.857 -4.948 -4.666) 7.377 3.436 ( -4.631 -8.021 -2.070) 9.490 3.625 ( 3.043 5.271 4.472) 7.553 3.663 ( 4.093 7.089 2.076) 8.445 3.786 ( 1.594 2.761 2.718) 4.190 3.838 ( -1.662 -2.879 -0.610) 3.380 3.857 ( 1.758 3.044 2.002) 4.045 4.039 ( -0.281 -0.487 -3.945) 3.985 4.076 ( 0.318 0.550 -3.406) 3.465 4.107 ( 1.131 1.958 -3.057) 3.802 4.133 ( -0.292 -0.506 1.315) 1.439 4.194 ( 2.169 3.756 0.354) 4.352 4.375 ( 2.384 4.129 -5.822) 7.525 4.465 ( 5.450 9.439 -1.297) 10.976 4.475 ( 2.306 3.995 -2.423) 5.210 4.515 ( 4.112 7.122 -7.894) 11.400 4.708 ( 1.033 1.788 -4.947) 5.361 4.761 ( -2.538 -4.396 1.266) 5.231 4.799 ( 1.620 2.806 2.081) 3.851 4.951 ( 1.039 1.800 -0.101) 2.081 5.008 ( 2.117 3.667 -0.909) 4.330 5.287 ( -2.209 -3.827 -11.080) 11.929 5.351 ( -2.977 -5.156 5.227) 7.923 5.469 ( -1.653 -2.863 4.186) 5.334 5.496 ( -0.518 -0.898 3.625) 3.770 5.553 ( 0.455 0.788 -3.101) 3.232 5.661 ( -4.603 -7.972 12.419) 15.459 5.707 ( -4.601 -7.969 4.310) 10.161 5.983 ( -2.820 -4.884 4.285) 7.083 6.017 ( -0.438 -0.758 2.404) 2.559 6.034 ( -0.760 -1.316 2.495) 2.922 6.053 ( -0.535 -0.926 -0.660) 1.257 6.197 ( 1.758 3.045 11.083) 11.628 6.215 ( -0.244 -0.423 1.251) 1.343 6.390 ( -5.295 -9.171 -2.856) 10.968 6.494 ( -3.115 -5.395 2.133) 6.585 6.673 ( -3.037 -5.260 3.458) 6.989 6.868 ( -2.412 -4.178 2.024) 5.231 6.963 ( 0.564 0.976 1.524) 1.896 7.021 ( 0.842 1.459 1.077) 1.999 7.209 ( 1.265 2.191 0.998) 2.720 7.257 ( 0.090 0.156 -2.677) 2.683 7.389 ( 0.295 0.511 -5.420) 5.452 7.409 ( 1.690 2.927 -4.897) 5.950 8.338 ( 0.014 0.024 3.214) 3.214 8.389 ( 0.692 1.199 1.747) 2.229 8.436 ( -1.145 -1.983 0.694) 2.393 8.471 ( -0.516 -0.894 4.880) 4.988 8.513 ( -0.471 -0.816 -1.221) 1.542 8.926 ( 1.374 2.380 -7.046) 7.563 9.217 ( 1.889 3.272 1.396) 4.028 9.397 ( 0.789 1.367 -4.221) 4.506 ======================= Grid point 119 (22/32) ======================= q-point: ( 0.29 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 7.082 12.334 9.971) 17.369 1.544 ( 11.260 11.044 9.793) 18.565 1.940 ( -6.505 -5.156 -6.660) 10.642 2.047 ( -11.046 -3.665 0.929) 11.675 2.171 ( 0.569 -0.327 -9.694) 9.716 2.398 ( 6.523 2.803 -15.503) 17.052 2.476 ( 2.755 -2.668 0.137) 3.838 2.660 ( -4.594 0.918 -8.699) 9.881 2.736 ( -0.765 2.628 -10.318) 10.675 2.772 ( 3.897 -2.771 -7.223) 8.662 2.999 ( 2.539 10.211 0.843) 10.556 3.056 ( 3.980 3.762 -1.015) 5.569 3.137 ( -2.650 -0.770 -0.133) 2.763 3.219 ( 5.237 -0.470 3.864) 6.525 3.258 ( -2.333 1.001 -3.066) 3.980 3.345 ( -0.137 -5.268 -4.164) 6.717 3.676 ( 2.333 -0.849 5.472) 6.009 3.714 ( -3.034 -3.238 4.366) 6.225 3.813 ( 4.616 4.142 1.508) 6.382 3.920 ( 2.451 3.758 2.327) 5.055 3.953 ( 5.725 6.190 1.607) 8.584 4.033 ( 0.631 0.081 -0.836) 1.050 4.074 ( 0.158 -1.161 -3.732) 3.912 4.091 ( -1.137 0.954 0.191) 1.496 4.195 ( 4.621 -0.986 -0.858) 4.802 4.274 ( 1.008 4.640 2.537) 5.384 4.449 ( 0.436 5.305 0.479) 5.345 4.506 ( 1.929 -1.458 -5.443) 5.956 4.560 ( -4.438 4.514 2.296) 6.734 4.642 ( -4.373 0.179 0.077) 4.378 4.664 ( 2.118 -0.631 1.167) 2.499 4.709 ( 3.975 1.766 -0.068) 4.350 4.902 ( 4.593 4.581 1.078) 6.576 4.972 ( -0.493 1.311 -1.911) 2.369 5.067 ( 1.344 -0.836 -2.895) 3.300 5.172 ( -4.696 -6.886 -3.365) 8.989 5.280 ( -3.122 0.633 3.339) 4.615 5.404 ( -0.947 -3.340 2.526) 4.294 5.428 ( -3.163 -4.426 2.507) 5.990 5.548 ( -2.347 3.275 0.804) 4.109 5.607 ( 3.158 -0.852 -0.875) 3.386 5.656 ( 2.264 -1.555 0.379) 2.773 5.848 ( -4.689 -5.906 3.978) 8.526 5.927 ( -6.838 -6.508 -4.780) 10.581 6.009 ( -0.222 -1.692 0.925) 1.941 6.042 ( 0.630 -4.310 0.594) 4.396 6.161 ( -3.468 0.542 4.840) 5.979 6.231 ( 0.495 -0.370 1.684) 1.794 6.353 ( -1.092 5.622 4.085) 7.035 6.408 ( -0.863 -2.133 5.605) 6.059 6.584 ( -2.312 -2.454 3.899) 5.155 6.757 ( -6.116 -2.610 -0.339) 6.659 6.975 ( 3.421 -4.018 1.023) 5.375 7.039 ( 3.282 -7.640 -1.285) 8.414 7.249 ( 1.028 1.988 0.656) 2.332 7.273 ( 0.026 3.593 -1.236) 3.800 7.382 ( -2.999 3.486 -2.237) 5.114 7.467 ( 2.186 1.214 -2.999) 3.905 8.349 ( 0.677 0.934 3.578) 3.760 8.394 ( -0.371 -0.562 0.858) 1.091 8.431 ( 0.579 1.419 1.236) 1.969 8.445 ( -1.023 -1.569 4.084) 4.493 8.493 ( -1.013 -0.696 -0.458) 1.311 8.962 ( 0.954 0.978 -8.203) 8.315 9.283 ( 2.240 2.872 0.888) 3.749 9.408 ( 0.016 -0.421 -2.742) 2.774 ======================= Grid point 120 (23/32) ======================= q-point: ( 0.43 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.740 1.281 10.966) 11.065 1.768 ( 0.115 -0.199 -0.710) 0.746 1.796 ( -1.763 3.054 -8.462) 9.168 1.852 ( -5.453 9.445 11.132) 15.584 2.183 ( 1.643 -2.846 -9.404) 9.962 2.448 ( 0.611 -1.059 -16.706) 16.750 2.536 ( 3.685 -6.382 -8.263) 11.072 2.574 ( -1.109 1.921 -5.021) 5.489 2.734 ( -2.891 5.007 -6.672) 8.828 2.814 ( 0.896 -1.551 -13.117) 13.238 3.043 ( -1.297 2.246 -0.780) 2.708 3.083 ( -2.974 5.152 0.007) 5.949 3.134 ( 0.496 -0.859 -1.274) 1.614 3.240 ( -0.185 0.321 -1.877) 1.913 3.294 ( 1.343 -2.327 -1.918) 3.301 3.340 ( 2.875 -4.980 1.441) 5.928 3.653 ( 3.337 -5.781 4.523) 8.063 3.724 ( -1.360 2.355 8.274) 8.710 3.864 ( -0.163 0.282 -1.179) 1.224 3.978 ( -2.950 5.109 4.692) 7.537 4.005 ( 0.441 -0.765 -0.221) 0.910 4.032 ( 0.139 -0.241 -2.208) 2.225 4.056 ( 1.905 -3.299 -3.029) 4.867 4.151 ( -0.791 1.370 4.488) 4.759 4.247 ( 0.550 -0.953 -4.134) 4.278 4.278 ( -1.881 3.258 3.546) 5.169 4.463 ( 1.557 -2.698 3.845) 4.948 4.489 ( -1.952 3.381 4.236) 5.761 4.495 ( 0.727 -1.260 2.758) 3.118 4.616 ( -1.145 1.983 -0.578) 2.362 4.710 ( -2.153 3.730 1.259) 4.487 4.810 ( -1.027 1.778 2.713) 3.402 4.908 ( -0.928 1.608 -5.720) 6.014 4.988 ( -0.092 0.160 1.404) 1.416 5.054 ( 1.226 -2.123 3.826) 4.544 5.096 ( 0.781 -1.353 -5.065) 5.300 5.243 ( -2.294 3.974 1.343) 4.781 5.362 ( 1.776 -3.076 0.183) 3.557 5.429 ( 1.414 -2.449 -0.497) 2.871 5.548 ( -1.457 2.523 -3.785) 4.777 5.648 ( 0.800 -1.386 0.148) 1.607 5.715 ( 2.789 -4.831 -1.164) 5.698 5.753 ( -0.303 0.524 -1.773) 1.873 5.784 ( 1.336 -2.315 -1.704) 3.170 6.006 ( 1.217 -2.109 4.733) 5.323 6.007 ( 1.453 -2.516 -2.824) 4.051 6.143 ( -1.782 3.086 4.048) 5.393 6.229 ( -1.448 2.509 1.947) 3.490 6.350 ( 0.191 -0.330 5.854) 5.867 6.423 ( -2.471 4.280 6.275) 7.988 6.573 ( -0.203 0.352 3.374) 3.398 6.670 ( 0.054 -0.094 -1.345) 1.350 6.990 ( 4.279 -7.412 0.157) 8.560 7.017 ( 5.237 -9.070 -1.539) 10.586 7.267 ( -0.451 0.782 0.492) 1.028 7.300 ( -2.237 3.874 -1.114) 4.610 7.369 ( -3.018 5.227 -0.589) 6.064 7.491 ( 0.094 -0.162 -2.309) 2.316 8.366 ( -0.314 0.544 3.698) 3.751 8.387 ( -0.117 0.202 0.950) 0.979 8.420 ( 0.474 -0.821 3.512) 3.637 8.454 ( -0.339 0.587 0.703) 0.976 8.474 ( -0.132 0.229 0.229) 0.350 8.974 ( -0.004 0.007 -8.705) 8.705 9.322 ( -0.686 1.188 0.206) 1.388 9.400 ( 0.533 -0.923 -1.412) 1.769 ======================= Grid point 127 (24/32) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 4.605 7.976 5.517) 10.735 1.742 ( 2.623 4.543 5.107) 7.321 1.857 ( -2.383 -4.128 -13.550) 14.364 1.997 ( 1.293 2.240 5.866) 6.411 2.198 ( 0.668 1.157 -6.877) 7.005 2.327 ( -3.614 -6.260 0.355) 7.237 2.494 ( 1.635 2.832 -13.534) 13.924 2.586 ( -3.207 -5.555 -7.609) 9.952 2.809 ( 1.730 2.996 -18.425) 18.747 2.844 ( 3.933 6.813 -5.490) 9.593 3.060 ( 0.274 0.474 -2.041) 2.114 3.089 ( -0.894 -1.548 -2.571) 3.132 3.156 ( -0.226 -0.392 2.346) 2.390 3.161 ( -1.425 -2.469 2.623) 3.874 3.304 ( 0.276 0.478 -1.801) 1.884 3.313 ( 0.952 1.649 -1.187) 2.244 3.584 ( -1.464 -2.536 3.348) 4.448 3.759 ( 2.001 3.466 9.398) 10.215 3.855 ( 0.046 0.079 -2.038) 2.040 3.986 ( 1.641 2.843 3.463) 4.771 4.004 ( -0.116 -0.201 -2.309) 2.320 4.024 ( 0.705 1.221 -3.503) 3.777 4.109 ( -0.414 -0.718 -4.887) 4.957 4.126 ( 0.422 0.731 4.740) 4.815 4.204 ( 3.542 6.135 2.525) 7.520 4.326 ( -1.277 -2.212 6.241) 6.743 4.427 ( -1.697 -2.940 2.368) 4.139 4.477 ( -0.794 -1.375 0.065) 1.589 4.544 ( -3.280 -5.681 2.781) 7.125 4.628 ( 3.456 5.986 5.345) 8.737 4.791 ( 3.125 5.413 -1.760) 6.493 4.817 ( 4.296 7.442 -2.180) 8.865 4.924 ( -2.959 -5.125 0.573) 5.945 4.956 ( 0.587 1.016 4.188) 4.349 5.064 ( -0.519 -0.898 -1.046) 1.473 5.082 ( -1.337 -2.316 -3.300) 4.247 5.306 ( -0.020 -0.035 2.042) 2.043 5.348 ( -0.406 -0.703 0.142) 0.824 5.349 ( -1.622 -2.809 -1.484) 3.567 5.559 ( -1.164 -2.016 -4.634) 5.186 5.640 ( 2.012 3.485 -1.010) 4.149 5.666 ( 1.868 3.235 0.175) 3.739 5.753 ( -1.941 -3.362 1.471) 4.152 5.776 ( -4.331 -7.501 -5.017) 10.010 5.984 ( -0.715 -1.239 -1.139) 1.829 5.985 ( -0.898 -1.555 2.746) 3.280 6.188 ( 0.986 1.708 5.333) 5.686 6.229 ( -0.308 -0.534 3.790) 3.840 6.349 ( -0.962 -1.666 4.702) 5.080 6.506 ( 4.251 7.363 3.812) 9.318 6.557 ( 0.030 0.051 5.178) 5.179 6.686 ( -3.169 -5.488 -0.444) 6.353 6.897 ( -1.491 -2.583 -2.290) 3.760 6.912 ( -2.620 -4.538 -3.065) 6.071 7.277 ( 0.513 0.889 0.563) 1.171 7.334 ( 1.142 1.978 -1.235) 2.596 7.437 ( 1.191 2.063 -0.093) 2.384 7.477 ( -0.120 -0.207 -0.969) 0.999 8.372 ( 0.848 1.469 3.666) 4.039 8.390 ( -0.012 -0.021 0.368) 0.369 8.411 ( -1.034 -1.790 3.918) 4.429 8.458 ( 0.707 1.224 0.716) 1.584 8.479 ( -0.447 -0.773 0.187) 0.912 8.973 ( 0.158 0.275 -8.998) 9.003 9.336 ( 1.480 2.563 0.294) 2.974 9.387 ( -0.947 -1.641 -1.108) 2.195 ======================= Grid point 165 (25/32) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -0.000 17.891) 17.891 1.348 ( 0.000 0.000 17.891) 17.891 1.743 ( 0.000 -0.000 -20.279) 20.279 1.743 ( 0.000 0.000 -20.279) 20.279 2.316 ( 0.000 0.000 15.827) 15.827 2.345 ( -0.000 0.000 1.331) 1.331 2.345 ( 0.000 0.000 1.331) 1.331 2.477 ( 0.000 -0.000 -9.200) 9.200 2.477 ( -0.000 0.000 -9.200) 9.200 2.496 ( 0.000 0.000 -3.951) 3.951 3.111 ( -0.000 0.000 11.053) 11.053 3.111 ( -0.000 -0.000 11.053) 11.053 3.232 ( -0.000 0.000 6.974) 6.974 3.319 ( 0.000 -0.000 -7.646) 7.646 3.319 ( -0.000 0.000 -7.646) 7.646 3.353 ( -0.000 0.000 -4.404) 4.404 3.625 ( 0.000 0.000 3.810) 3.810 3.749 ( 0.000 0.000 -7.421) 7.421 3.819 ( -0.000 0.000 6.007) 6.007 3.819 ( 0.000 0.000 6.007) 6.007 3.960 ( -0.000 0.000 -7.872) 7.872 3.960 ( 0.000 0.000 -7.872) 7.872 4.019 ( 0.000 0.000 3.854) 3.854 4.055 ( 0.000 -0.000 4.210) 4.210 4.055 ( -0.000 0.000 4.210) 4.210 4.082 ( -0.000 0.000 1.913) 1.913 4.104 ( 0.000 0.000 -1.872) 1.872 4.138 ( -0.000 -0.000 -3.384) 3.384 4.174 ( -0.000 0.000 -6.906) 6.906 4.174 ( 0.000 -0.000 -6.906) 6.906 4.608 ( -0.000 0.000 5.597) 5.597 4.871 ( -0.000 0.000 2.549) 2.549 4.871 ( -0.000 0.000 2.549) 2.549 4.884 ( -0.000 -0.000 -20.744) 20.744 4.911 ( 0.000 -0.000 -1.376) 1.376 4.911 ( 0.000 0.000 -1.376) 1.376 5.535 ( -0.000 0.000 2.910) 2.910 5.535 ( 0.000 0.000 2.910) 2.910 5.575 ( -0.000 0.000 -0.213) 0.213 5.575 ( 0.000 0.000 -0.213) 0.213 6.029 ( 0.000 -0.000 0.729) 0.729 6.029 ( 0.000 0.000 0.729) 0.729 6.039 ( 0.000 0.000 0.002) 0.002 6.039 ( 0.000 0.000 0.002) 0.002 6.287 ( 0.000 0.000 10.840) 10.840 6.308 ( 0.000 -0.000 12.274) 12.274 6.308 ( 0.000 0.000 12.274) 12.274 6.391 ( -0.000 0.000 1.458) 1.458 6.527 ( -0.000 0.000 -8.535) 8.535 6.527 ( 0.000 0.000 -8.535) 8.535 6.847 ( 0.000 -0.000 3.733) 3.733 6.972 ( -0.000 0.000 -7.586) 7.586 7.015 ( -0.000 0.000 7.720) 7.720 7.015 ( 0.000 0.000 7.720) 7.720 7.179 ( 0.000 0.000 -7.901) 7.901 7.179 ( 0.000 -0.000 -7.901) 7.901 7.189 ( 0.000 0.000 1.148) 1.148 7.213 ( -0.000 0.000 -1.128) 1.128 8.411 ( 0.000 0.000 2.858) 2.858 8.411 ( -0.000 0.000 2.858) 2.858 8.472 ( 0.000 0.000 -2.910) 2.910 8.472 ( -0.000 0.000 -2.910) 2.910 8.598 ( 0.000 -0.000 6.319) 6.319 8.730 ( 0.000 0.000 -6.118) 6.118 9.201 ( 0.000 0.000 3.146) 3.146 9.272 ( 0.000 -0.000 -3.458) 3.458 ======================= Grid point 166 (26/32) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 5.217 3.012 16.561) 17.622 1.447 ( 8.012 4.626 15.880) 18.378 1.781 ( 3.134 1.809 -19.452) 19.786 1.808 ( 5.321 3.072 -18.754) 19.735 2.191 ( -5.517 -3.185 7.004) 9.468 2.301 ( -3.730 -2.154 2.746) 5.108 2.350 ( -5.469 -3.158 -7.846) 10.072 2.461 ( -1.538 -0.888 -10.697) 10.843 2.544 ( 12.072 6.970 7.444) 15.802 2.665 ( 9.823 5.671 -4.433) 12.178 2.971 ( -8.672 -5.007 7.399) 12.451 3.065 ( -8.072 -4.660 -0.820) 9.357 3.146 ( 2.623 1.514 8.854) 9.357 3.293 ( -2.427 -1.401 -4.807) 5.564 3.474 ( -10.420 -6.016 2.859) 12.367 3.513 ( 10.847 6.263 0.366) 12.531 3.522 ( 10.492 6.058 -0.241) 12.118 3.560 ( -10.470 -6.045 -4.623) 12.944 3.844 ( 2.219 1.281 3.880) 4.650 3.890 ( 0.033 0.019 3.013) 3.014 3.911 ( -2.620 -1.513 -0.301) 3.040 3.955 ( 1.994 1.151 -3.598) 4.271 4.007 ( -1.376 -0.794 -0.959) 1.856 4.022 ( 2.916 1.684 4.074) 5.286 4.091 ( 0.829 0.479 -4.758) 4.854 4.135 ( 6.247 3.607 -1.968) 7.477 4.232 ( 4.480 2.586 -1.483) 5.381 4.249 ( 6.510 3.759 -0.299) 7.523 4.282 ( 9.108 5.259 -2.553) 10.823 4.295 ( 10.282 5.936 -3.434) 12.359 4.617 ( 1.520 0.877 3.608) 4.012 4.827 ( -1.503 -0.868 -9.417) 9.575 4.843 ( -2.465 -1.423 2.896) 4.061 4.896 ( -1.400 -0.808 -2.100) 2.650 4.927 ( 2.019 1.166 -3.785) 4.445 4.960 ( 3.823 2.207 -5.776) 7.269 5.509 ( -2.287 -1.321 3.721) 4.563 5.540 ( 0.131 0.076 3.023) 3.027 5.564 ( -1.175 -0.678 -0.731) 1.541 5.575 ( 0.068 0.039 0.273) 0.284 5.983 ( -4.566 -2.636 2.555) 5.859 5.987 ( -6.046 -3.491 4.338) 8.219 6.022 ( -2.130 -1.230 -1.049) 2.674 6.032 ( -1.531 -0.884 -0.564) 1.856 6.148 ( -5.221 -3.014 8.381) 10.324 6.234 ( -5.061 -2.922 9.848) 11.451 6.282 ( -7.331 -4.233 -2.249) 8.759 6.385 ( 2.162 1.248 9.697) 10.013 6.424 ( -8.283 -4.782 -7.917) 12.416 6.522 ( -1.409 -0.813 -3.938) 4.261 6.818 ( -3.088 -1.783 3.492) 4.991 6.910 ( -5.142 -2.969 -4.507) 7.454 7.046 ( 3.212 1.854 5.488) 6.624 7.052 ( 2.715 1.567 7.326) 7.969 7.183 ( 0.141 0.081 -3.443) 3.447 7.199 ( 1.232 0.712 -8.152) 8.275 7.215 ( 1.608 0.929 0.139) 1.863 7.255 ( 4.113 2.375 -3.747) 6.050 8.404 ( -0.451 -0.261 2.782) 2.830 8.419 ( 0.723 0.417 2.575) 2.707 8.455 ( -1.401 -0.809 -1.947) 2.531 8.474 ( 0.120 0.069 -2.559) 2.562 8.603 ( 0.173 0.100 6.547) 6.550 8.747 ( 1.213 0.700 -6.938) 7.078 9.221 ( 1.900 1.097 2.932) 3.662 9.290 ( 1.612 0.931 -3.517) 3.979 ======================= Grid point 167 (27/32) ======================= q-point: ( 0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 7.043 4.066 12.501) 14.913 1.635 ( 8.607 4.969 12.423) 15.910 1.849 ( 2.251 1.300 -16.116) 16.324 1.933 ( 5.439 3.140 -14.633) 15.924 2.084 ( -4.412 -2.547 5.084) 7.197 2.213 ( -3.477 -2.008 4.752) 6.221 2.247 ( -4.030 -2.327 -10.660) 11.632 2.416 ( -2.292 -1.323 -12.378) 12.658 2.805 ( -6.302 -3.639 6.730) 9.912 2.828 ( 12.519 7.228 4.841) 15.245 2.893 ( 10.225 5.903 -2.491) 12.066 2.917 ( -5.797 -3.347 -3.267) 7.449 3.168 ( -3.130 -1.807 2.537) 4.416 3.223 ( -3.858 -2.227 -2.541) 5.128 3.303 ( -2.127 -1.228 3.454) 4.238 3.372 ( -5.128 -2.960 -3.011) 6.642 3.699 ( 5.793 3.345 1.853) 6.941 3.728 ( 6.805 3.929 -0.766) 7.895 3.864 ( 0.152 0.088 5.480) 5.483 3.931 ( 3.528 2.037 3.205) 5.183 3.946 ( 5.694 3.288 2.256) 6.952 3.995 ( 1.532 0.884 -2.310) 2.910 4.014 ( 2.260 1.305 -3.035) 4.002 4.087 ( 1.872 1.081 5.468) 5.880 4.124 ( 2.597 1.499 -7.242) 7.838 4.263 ( 5.382 3.107 -5.328) 8.186 4.292 ( 1.500 0.866 5.389) 5.660 4.431 ( 9.959 5.750 4.858) 12.484 4.442 ( 5.742 3.315 -1.253) 6.748 4.530 ( 10.736 6.198 -3.930) 13.005 4.690 ( 4.266 2.463 -0.295) 4.935 4.767 ( -4.497 -2.596 3.818) 6.445 4.820 ( 0.794 0.458 -10.159) 10.200 4.854 ( -2.225 -1.284 -4.306) 5.014 4.979 ( 2.654 1.532 -0.470) 3.100 5.044 ( 3.671 2.119 -5.906) 7.270 5.439 ( -4.413 -2.548 5.260) 7.323 5.521 ( -2.928 -1.690 -1.733) 3.799 5.522 ( -1.807 -1.043 4.563) 5.018 5.581 ( -0.094 -0.054 -1.059) 1.065 5.755 ( -12.379 -7.147 9.436) 17.128 5.825 ( -8.640 -4.988 5.478) 11.381 5.921 ( -8.363 -4.829 -5.101) 10.922 5.927 ( -6.994 -4.038 -3.909) 8.973 6.107 ( -0.640 -0.369 3.518) 3.595 6.160 ( -1.715 -0.990 3.968) 4.435 6.169 ( -2.843 -1.642 -2.002) 3.845 6.248 ( -6.424 -3.709 -4.235) 8.541 6.416 ( 1.299 0.750 6.485) 6.656 6.486 ( -1.051 -0.607 -0.305) 1.252 6.724 ( -5.014 -2.895 3.621) 6.829 6.784 ( -6.027 -3.480 -2.183) 7.294 7.105 ( 2.048 1.183 4.810) 5.360 7.128 ( 3.671 2.120 2.310) 4.828 7.179 ( -0.458 -0.264 -2.425) 2.482 7.220 ( 0.675 0.390 -5.854) 5.905 7.263 ( 2.403 1.387 2.831) 3.964 7.345 ( 3.665 2.116 -4.580) 6.236 8.397 ( -0.127 -0.073 2.046) 2.051 8.423 ( -1.331 -0.768 -0.454) 1.602 8.438 ( 0.978 0.565 1.841) 2.160 8.476 ( 0.006 0.003 -1.648) 1.648 8.596 ( -0.863 -0.498 7.485) 7.551 8.768 ( 0.659 0.380 -8.607) 8.640 9.275 ( 2.735 1.579 2.362) 3.944 9.332 ( 1.999 1.154 -3.082) 3.850 ======================= Grid point 168 (28/32) ======================= q-point: ( 0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 4.313 2.490 5.384) 7.334 1.791 ( 5.282 3.050 9.091) 10.947 1.851 ( -1.483 -0.856 -6.688) 6.904 1.965 ( -2.882 -1.664 3.566) 4.878 2.058 ( 2.320 1.339 -5.580) 6.189 2.180 ( 0.044 0.026 2.571) 2.572 2.180 ( -2.061 -1.190 -16.822) 16.989 2.377 ( -1.070 -0.618 -10.934) 11.004 2.712 ( -2.184 -1.261 4.953) 5.558 2.821 ( -2.701 -1.559 -4.401) 5.394 2.996 ( 3.065 1.770 2.088) 4.109 3.028 ( 0.822 0.474 -0.528) 1.086 3.070 ( -1.890 -1.091 -0.545) 2.249 3.141 ( -2.863 -1.653 -5.256) 6.209 3.350 ( 3.820 2.205 3.741) 5.783 3.404 ( 4.464 2.577 -0.804) 5.216 3.766 ( 1.031 0.595 0.944) 1.519 3.800 ( 1.398 0.807 -1.891) 2.487 3.869 ( -0.040 -0.023 7.915) 7.916 3.949 ( -1.060 -0.612 1.823) 2.196 4.005 ( -1.654 -0.955 -3.410) 3.909 4.033 ( 1.209 0.698 -7.278) 7.411 4.127 ( 6.173 3.564 2.741) 7.637 4.153 ( 5.107 2.949 8.832) 10.620 4.196 ( 2.756 1.591 -3.345) 4.617 4.259 ( -2.650 -1.530 4.085) 5.104 4.428 ( 7.420 4.284 -0.491) 8.582 4.523 ( 0.842 0.486 -1.577) 1.853 4.618 ( 2.655 1.533 5.695) 6.468 4.668 ( 0.368 0.212 5.582) 5.598 4.721 ( 5.219 3.013 -1.401) 6.187 4.734 ( -0.391 -0.226 1.543) 1.608 4.825 ( -0.812 -0.469 -6.039) 6.111 4.846 ( 1.137 0.657 -8.577) 8.677 5.034 ( 2.110 1.218 0.751) 2.550 5.098 ( 0.947 0.547 -3.545) 3.710 5.329 ( -4.187 -2.417 6.244) 7.897 5.440 ( -3.702 -2.137 -4.064) 5.898 5.474 ( -6.386 -3.687 3.700) 8.250 5.485 ( -1.133 -0.654 2.355) 2.694 5.645 ( 1.040 0.600 0.287) 1.235 5.704 ( -1.490 -0.860 2.063) 2.686 5.747 ( -6.350 -3.666 -7.481) 10.475 5.762 ( -6.428 -3.711 -3.383) 8.157 6.094 ( -0.324 -0.187 3.500) 3.520 6.129 ( -1.122 -0.648 0.751) 1.498 6.142 ( -0.254 -0.146 1.551) 1.578 6.168 ( -1.545 -0.892 -0.907) 2.002 6.453 ( 1.820 1.051 3.892) 4.424 6.488 ( 0.716 0.414 0.889) 1.214 6.631 ( -2.754 -1.590 2.821) 4.251 6.671 ( -3.847 -2.221 -1.173) 4.595 7.141 ( 1.328 0.767 1.901) 2.442 7.165 ( -0.841 -0.486 -0.691) 1.192 7.186 ( 1.558 0.900 0.574) 1.889 7.228 ( 0.105 0.060 -3.073) 3.076 7.302 ( 1.024 0.591 4.122) 4.288 7.400 ( 1.336 0.771 -4.620) 4.871 8.397 ( 0.013 0.007 0.852) 0.852 8.403 ( -0.514 -0.297 0.209) 0.630 8.457 ( 0.665 0.384 0.909) 1.190 8.473 ( -0.250 -0.145 -0.551) 0.622 8.577 ( -0.609 -0.352 8.794) 8.822 8.776 ( 0.132 0.076 -9.808) 9.809 9.322 ( 1.340 0.774 1.672) 2.278 9.364 ( 0.794 0.458 -2.204) 2.387 ======================= Grid point 173 (29/32) ======================= q-point: ( 0.14 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 5.248 9.090 13.596) 17.176 1.552 ( 3.622 6.274 12.637) 14.566 1.869 ( 3.467 6.006 -17.305) 18.643 1.871 ( 2.085 3.612 -15.822) 16.362 2.090 ( -3.508 -6.077 5.107) 8.679 2.205 ( -3.680 -6.375 -1.557) 7.524 2.351 ( 0.552 0.956 -5.565) 5.674 2.451 ( 0.509 0.882 -8.931) 8.989 2.701 ( 3.020 5.230 5.983) 8.501 2.784 ( 2.367 4.099 -2.020) 5.146 2.902 ( 0.336 0.582 3.289) 3.357 2.937 ( -1.713 -2.966 -0.166) 3.429 3.216 ( 2.011 3.483 4.126) 5.762 3.268 ( -0.523 -0.906 -1.390) 1.740 3.306 ( -5.519 -9.559 2.018) 11.220 3.371 ( -5.888 -10.198 -3.695) 12.342 3.687 ( 5.083 8.804 1.240) 10.241 3.691 ( 5.252 9.096 0.573) 10.519 3.832 ( -0.924 -1.600 2.784) 3.341 3.891 ( -0.231 -0.400 -0.379) 0.598 3.920 ( 1.103 1.911 5.416) 5.848 3.958 ( 1.074 1.861 -3.226) 3.876 4.017 ( 1.511 2.618 -0.865) 3.144 4.074 ( 1.134 1.964 1.653) 2.806 4.144 ( 2.540 4.400 -4.270) 6.637 4.221 ( 3.203 5.548 0.519) 6.428 4.306 ( 1.670 2.893 -0.951) 3.473 4.356 ( 4.923 8.526 2.912) 10.267 4.440 ( 5.715 9.899 -1.859) 11.581 4.455 ( 5.879 10.183 -2.984) 12.131 4.656 ( 1.946 3.370 0.682) 3.951 4.790 ( -1.486 -2.574 -3.561) 4.639 4.840 ( -0.197 -0.341 0.923) 1.003 4.850 ( -1.215 -2.105 -7.073) 7.479 4.971 ( 1.061 1.837 -1.180) 2.428 5.012 ( 2.169 3.757 -6.755) 8.028 5.465 ( -1.941 -3.362 5.088) 6.400 5.535 ( -1.088 -1.884 0.635) 2.267 5.549 ( -0.444 -0.769 0.390) 0.969 5.559 ( -0.772 -1.337 1.431) 2.105 5.819 ( -6.682 -11.573 6.140) 14.706 5.880 ( -5.005 -8.668 5.536) 11.438 5.992 ( -4.629 -8.017 -1.419) 9.366 6.009 ( -0.889 -1.540 0.109) 1.781 6.052 ( -1.359 -2.354 0.724) 2.813 6.098 ( -6.230 -10.791 -0.736) 12.482 6.236 ( -0.014 -0.024 2.137) 2.137 6.308 ( -2.919 -5.056 -3.567) 6.842 6.413 ( 0.961 1.664 7.187) 7.440 6.499 ( -1.107 -1.918 -1.174) 2.506 6.763 ( -2.299 -3.983 3.837) 5.990 6.840 ( -2.815 -4.876 -3.463) 6.610 7.013 ( -1.239 -2.146 3.594) 4.366 7.070 ( -1.504 -2.605 0.712) 3.091 7.204 ( 2.035 3.525 -0.523) 4.103 7.230 ( 1.285 2.225 0.399) 2.600 7.302 ( 2.139 3.706 -2.661) 5.039 7.305 ( 3.022 5.233 -4.128) 7.318 8.399 ( -0.107 -0.185 2.298) 2.308 8.426 ( -0.346 -0.600 0.736) 1.011 8.439 ( 0.097 0.168 0.543) 0.576 8.476 ( 0.086 0.150 -1.909) 1.917 8.600 ( -0.385 -0.667 7.135) 7.177 8.763 ( 0.458 0.794 -8.145) 8.197 9.259 ( 1.584 2.744 2.526) 4.053 9.320 ( 1.177 2.039 -3.255) 4.017 ======================= Grid point 174 (30/32) ======================= q-point: ( 0.29 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 3.222 4.279 8.157) 9.758 1.723 ( 6.824 6.154 8.028) 12.202 1.892 ( -2.602 0.353 -6.707) 7.202 1.936 ( 1.329 -2.355 -7.163) 7.657 2.047 ( 0.039 1.880 -4.511) 4.887 2.112 ( 1.256 -4.558 -5.686) 7.395 2.350 ( -6.445 8.320 -2.717) 10.869 2.470 ( -2.119 5.093 -8.977) 10.536 2.684 ( -0.258 -5.430 3.577) 6.507 2.745 ( 0.372 -8.765 -1.168) 8.850 3.003 ( 3.215 4.675 0.423) 5.690 3.026 ( 3.423 4.608 -1.475) 5.927 3.156 ( -5.001 0.002 0.209) 5.005 3.188 ( -5.021 -0.570 -2.681) 5.720 3.282 ( 3.359 -0.251 2.243) 4.047 3.312 ( 4.391 -1.852 -0.094) 4.767 3.738 ( 0.864 -3.121 3.007) 4.420 3.802 ( 0.703 1.719 -2.173) 2.858 3.850 ( 1.447 1.932 4.872) 5.437 3.916 ( 4.523 -0.656 -2.062) 5.014 3.976 ( 0.503 0.388 0.241) 0.680 4.016 ( 2.819 1.196 -2.681) 4.070 4.086 ( 1.280 3.484 3.703) 5.243 4.109 ( 4.304 3.729 5.700) 8.057 4.227 ( 0.482 7.552 -3.268) 8.243 4.298 ( 1.227 0.293 -1.822) 2.216 4.375 ( 4.477 6.862 4.973) 9.584 4.526 ( 3.891 6.849 1.686) 8.056 4.595 ( 3.238 8.775 1.129) 9.421 4.648 ( 5.242 4.865 -2.100) 7.454 4.697 ( -1.061 -1.888 2.247) 3.120 4.725 ( 0.774 -2.045 2.819) 3.568 4.822 ( -0.791 0.395 -9.522) 9.563 4.864 ( 1.439 3.076 -6.876) 7.669 5.007 ( 1.916 1.520 1.392) 2.814 5.077 ( 2.016 1.204 -4.259) 4.863 5.384 ( -4.452 -3.049 5.055) 7.394 5.447 ( -4.020 -6.357 0.190) 7.524 5.496 ( -3.037 -2.282 3.134) 4.925 5.540 ( -1.153 -4.202 -0.841) 4.437 5.647 ( -4.128 -2.097 4.315) 6.330 5.731 ( -3.480 -5.217 5.133) 8.104 5.782 ( -6.684 -7.668 -6.413) 12.025 5.860 ( -8.671 -6.805 -4.714) 11.988 6.015 ( 2.147 -3.910 2.085) 4.924 6.054 ( 2.084 -3.802 -0.880) 4.424 6.230 ( -3.125 2.525 2.020) 4.497 6.251 ( -2.230 1.640 0.061) 2.769 6.446 ( 0.155 2.120 3.601) 4.182 6.475 ( 1.079 -0.336 0.988) 1.501 6.678 ( -4.128 -1.882 3.701) 5.855 6.732 ( -5.684 -2.256 -1.843) 6.387 6.992 ( 4.208 -8.073 0.935) 9.152 7.017 ( 2.840 -9.306 -1.151) 9.797 7.261 ( 0.128 3.877 0.440) 3.904 7.269 ( 0.586 2.303 0.220) 2.387 7.355 ( -0.761 6.239 0.378) 6.296 7.400 ( 2.105 3.742 -3.161) 5.331 8.397 ( -0.052 0.039 1.170) 1.171 8.407 ( -0.540 -0.788 0.181) 0.973 8.455 ( 0.536 1.034 1.159) 1.643 8.478 ( -0.147 0.187 -0.940) 0.970 8.581 ( -0.689 -0.960 8.335) 8.418 8.772 ( 0.230 0.001 -9.485) 9.488 9.311 ( 1.626 2.130 1.762) 3.208 9.355 ( 1.026 1.026 -2.335) 2.749 ======================= Grid point 175 (31/32) ======================= q-point: ( 0.43 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.260 -0.451 4.131) 4.164 1.826 ( -0.515 0.892 4.868) 4.976 1.842 ( 0.423 -0.733 2.381) 2.526 1.927 ( -0.261 0.451 -6.539) 6.560 2.046 ( 0.533 -0.923 -3.375) 3.539 2.137 ( 0.411 -0.712 -12.497) 12.524 2.324 ( -5.476 9.485 0.681) 10.974 2.477 ( -3.779 6.546 -7.803) 10.864 2.655 ( 0.690 -1.195 1.011) 1.711 2.701 ( 4.107 -7.113 -2.181) 8.498 3.031 ( -0.086 0.150 -0.288) 0.336 3.038 ( 0.465 -0.806 -1.332) 1.625 3.140 ( -3.339 5.784 -0.378) 6.689 3.169 ( -2.277 3.943 -3.259) 5.599 3.320 ( 2.145 -3.715 3.084) 5.283 3.360 ( 3.224 -5.584 -0.425) 6.461 3.730 ( 2.901 -5.025 3.326) 6.689 3.807 ( 1.016 -1.760 -3.843) 4.348 3.874 ( -1.652 2.861 5.494) 6.411 3.947 ( 0.484 -0.838 -3.032) 3.182 3.969 ( -0.468 0.811 0.517) 1.069 4.030 ( 1.506 -2.609 -2.865) 4.157 4.143 ( 0.816 -1.414 4.534) 4.819 4.160 ( -1.193 2.066 0.134) 2.390 4.297 ( -1.622 2.810 5.015) 5.973 4.307 ( -3.534 6.121 1.623) 7.252 4.520 ( -2.279 3.947 0.275) 4.566 4.540 ( -1.125 1.948 0.845) 2.403 4.582 ( 1.967 -3.407 5.922) 7.109 4.671 ( 0.767 -1.329 1.030) 1.849 4.736 ( -1.013 1.755 0.404) 2.067 4.798 ( 0.647 -1.120 -4.724) 4.898 4.800 ( -1.632 2.827 -0.525) 3.306 4.898 ( -2.271 3.933 -7.451) 8.726 5.045 ( -0.181 0.314 2.647) 2.672 5.090 ( 0.968 -1.676 -0.648) 2.041 5.310 ( -0.179 0.310 3.109) 3.130 5.368 ( 0.975 -1.688 -1.534) 2.480 5.461 ( 1.339 -2.319 1.874) 3.268 5.473 ( 0.069 -0.120 -0.950) 0.960 5.634 ( 0.298 -0.516 -0.454) 0.749 5.671 ( 1.110 -1.922 -2.428) 3.290 5.717 ( 0.816 -1.413 -2.858) 3.291 5.723 ( -0.072 0.125 -1.417) 1.424 6.016 ( 1.975 -3.420 2.459) 4.652 6.051 ( 2.027 -3.511 -0.184) 4.058 6.211 ( -2.063 3.573 2.439) 4.793 6.242 ( -2.333 4.041 -0.457) 4.688 6.456 ( 0.508 -0.880 3.936) 4.065 6.502 ( -0.809 1.400 0.260) 1.638 6.635 ( -1.106 1.915 2.012) 2.990 6.653 ( -0.304 0.526 -0.189) 0.636 6.991 ( 5.966 -10.333 -0.008) 11.931 6.995 ( 5.783 -10.016 -0.525) 11.578 7.280 ( -0.733 1.270 0.344) 1.506 7.285 ( -1.815 3.143 -0.350) 3.646 7.380 ( -3.253 5.634 1.852) 6.764 7.435 ( -1.360 2.355 -2.927) 3.995 8.396 ( 0.018 -0.031 0.490) 0.491 8.399 ( 0.042 -0.073 0.217) 0.233 8.467 ( -0.296 0.512 0.585) 0.832 8.475 ( -0.204 0.353 -0.179) 0.445 8.569 ( 0.205 -0.355 9.099) 9.108 8.773 ( 0.156 -0.270 -10.021) 10.025 9.337 ( -0.429 0.742 1.185) 1.462 9.367 ( 0.067 -0.116 -1.616) 1.622 ======================= Grid point 182 (32/32) ======================= q-point: ( 0.29 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.98e-04 5.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.520 0.901 5.384) 5.484 1.826 ( 1.519 2.631 2.522) 3.948 1.840 ( -1.021 -1.768 3.372) 3.942 1.948 ( 0.048 0.083 -13.430) 13.430 2.057 ( 1.524 2.640 -2.349) 3.849 2.119 ( 0.500 0.865 -9.926) 9.976 2.460 ( -1.302 -2.255 1.538) 3.024 2.467 ( 0.407 0.705 -1.685) 1.871 2.637 ( -0.985 -1.707 0.858) 2.149 2.717 ( 3.263 5.652 -5.960) 8.838 3.019 ( -0.370 -0.641 -1.259) 1.460 3.029 ( -0.864 -1.496 -2.066) 2.693 3.168 ( -0.638 -1.105 -0.536) 1.384 3.174 ( -0.621 -1.075 -0.920) 1.545 3.310 ( 1.305 2.261 1.533) 3.027 3.322 ( 1.025 1.775 0.546) 2.122 3.663 ( -1.366 -2.366 4.464) 5.234 3.770 ( -1.204 -2.085 -5.386) 5.899 3.913 ( 1.587 2.749 4.809) 5.762 3.957 ( 1.065 1.845 -1.752) 2.758 3.966 ( -0.516 -0.894 -0.701) 1.248 4.002 ( -0.495 -0.857 -2.343) 2.543 4.127 ( 1.462 2.532 4.692) 5.529 4.184 ( -0.449 -0.778 -0.078) 0.902 4.317 ( 3.268 5.661 6.216) 9.021 4.383 ( 3.167 5.486 -0.699) 6.373 4.504 ( 3.435 5.950 6.917) 9.749 4.541 ( -2.841 -4.921 5.812) 8.128 4.616 ( -3.184 -5.515 2.369) 6.794 4.676 ( 1.721 2.981 -3.897) 5.199 4.723 ( 1.006 1.742 -4.634) 5.052 4.772 ( 0.452 0.784 -5.139) 5.218 4.848 ( 3.378 5.851 0.747) 6.798 4.961 ( 3.182 5.511 -6.296) 8.952 5.042 ( 0.659 1.141 2.531) 2.854 5.051 ( -2.435 -4.217 0.916) 4.954 5.335 ( -1.202 -2.081 0.879) 2.559 5.371 ( -0.160 -0.278 -0.267) 0.418 5.416 ( -2.881 -4.990 3.789) 6.896 5.452 ( -2.244 -3.886 -2.459) 5.117 5.655 ( 0.747 1.293 -1.113) 1.863 5.656 ( -0.993 -1.720 2.358) 3.083 5.677 ( -1.456 -2.522 -3.077) 4.236 5.733 ( -3.074 -5.324 -3.144) 6.905 5.990 ( 0.138 0.240 1.495) 1.521 6.014 ( -0.773 -1.339 -0.134) 1.552 6.257 ( 0.415 0.719 1.687) 1.880 6.271 ( 0.243 0.420 0.449) 0.661 6.444 ( -0.470 -0.813 4.404) 4.503 6.523 ( 2.032 3.520 -2.378) 4.709 6.660 ( 0.019 0.034 3.526) 3.526 6.689 ( -1.503 -2.603 0.337) 3.024 6.867 ( -2.385 -4.131 -0.608) 4.809 6.869 ( -2.890 -5.005 -0.949) 5.857 7.291 ( 0.442 0.765 0.796) 1.190 7.310 ( 0.619 1.073 -1.027) 1.610 7.441 ( 1.527 2.645 0.532) 3.100 7.457 ( 0.960 1.662 -0.899) 2.119 8.397 ( -0.107 -0.186 0.244) 0.325 8.398 ( -0.027 -0.047 0.292) 0.297 8.472 ( 0.405 0.702 0.569) 0.991 8.480 ( -0.014 -0.025 -0.155) 0.158 8.566 ( -0.299 -0.517 9.138) 9.157 8.770 ( -0.073 -0.126 -10.054) 10.055 9.346 ( 0.799 1.384 0.668) 1.732 9.364 ( -0.041 -0.071 -1.041) 1.044 =================== 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 3/22638 10.0 1064.589 1064.589 535.746 0.000 -0.000 -0.000 3/22638 20.0 126.029 126.029 90.754 -0.000 0.000 -0.000 3/22638 30.0 37.506 37.506 30.582 -0.000 0.000 -0.000 3/22638 40.0 17.715 17.715 15.618 -0.000 0.000 -0.000 3/22638 50.0 10.721 10.721 9.885 -0.000 0.000 -0.000 3/22638 60.0 7.473 7.473 7.090 -0.000 0.000 -0.000 3/22638 70.0 5.682 5.682 5.500 -0.000 0.000 -0.000 3/22638 80.0 4.572 4.572 4.493 -0.000 0.000 -0.000 3/22638 90.0 3.825 3.825 3.804 -0.000 0.000 -0.000 3/22638 100.0 3.291 3.291 3.305 -0.000 0.000 -0.000 3/22638 110.0 2.892 2.892 2.927 -0.000 0.000 -0.000 3/22638 120.0 2.581 2.581 2.630 -0.000 0.000 -0.000 3/22638 130.0 2.333 2.333 2.390 -0.000 0.000 -0.000 3/22638 140.0 2.131 2.131 2.193 -0.000 0.000 -0.000 3/22638 150.0 1.962 1.962 2.027 -0.000 0.000 -0.000 3/22638 160.0 1.818 1.818 1.885 -0.000 0.000 -0.000 3/22638 170.0 1.696 1.696 1.763 -0.000 0.000 -0.000 3/22638 180.0 1.589 1.589 1.656 -0.000 0.000 -0.000 3/22638 190.0 1.495 1.495 1.562 -0.000 0.000 -0.000 3/22638 200.0 1.412 1.412 1.478 -0.000 0.000 -0.000 3/22638 210.0 1.338 1.338 1.404 -0.000 0.000 -0.000 3/22638 220.0 1.272 1.272 1.336 -0.000 0.000 -0.000 3/22638 230.0 1.212 1.212 1.275 -0.000 0.000 -0.000 3/22638 240.0 1.158 1.158 1.219 -0.000 0.000 -0.000 3/22638 250.0 1.108 1.108 1.168 -0.000 0.000 -0.000 3/22638 260.0 1.063 1.063 1.122 -0.000 0.000 -0.000 3/22638 270.0 1.021 1.021 1.079 -0.000 0.000 -0.000 3/22638 280.0 0.983 0.983 1.039 -0.000 0.000 -0.000 3/22638 290.0 0.947 0.947 1.002 -0.000 0.000 -0.000 3/22638 300.0 0.914 0.914 0.968 -0.000 0.000 -0.000 3/22638 310.0 0.883 0.883 0.935 -0.000 0.000 -0.000 3/22638 320.0 0.855 0.855 0.905 -0.000 0.000 -0.000 3/22638 330.0 0.828 0.828 0.877 -0.000 0.000 -0.000 3/22638 340.0 0.802 0.802 0.851 -0.000 0.000 -0.000 3/22638 350.0 0.779 0.779 0.826 -0.000 0.000 -0.000 3/22638 360.0 0.756 0.756 0.803 -0.000 0.000 -0.000 3/22638 370.0 0.735 0.735 0.781 -0.000 0.000 -0.000 3/22638 380.0 0.715 0.715 0.760 -0.000 0.000 -0.000 3/22638 390.0 0.696 0.696 0.740 -0.000 0.000 -0.000 3/22638 400.0 0.679 0.679 0.721 -0.000 0.000 -0.000 3/22638 410.0 0.662 0.662 0.703 -0.000 0.000 -0.000 3/22638 420.0 0.645 0.645 0.686 -0.000 0.000 -0.000 3/22638 430.0 0.630 0.630 0.670 -0.000 0.000 -0.000 3/22638 440.0 0.615 0.615 0.655 -0.000 0.000 -0.000 3/22638 450.0 0.602 0.602 0.640 -0.000 0.000 -0.000 3/22638 460.0 0.588 0.588 0.626 -0.000 0.000 -0.000 3/22638 470.0 0.575 0.575 0.613 -0.000 0.000 -0.000 3/22638 480.0 0.563 0.563 0.600 -0.000 0.000 -0.000 3/22638 490.0 0.552 0.552 0.587 -0.000 0.000 -0.000 3/22638 500.0 0.540 0.540 0.576 -0.000 0.000 -0.000 3/22638 510.0 0.530 0.530 0.564 -0.000 0.000 -0.000 3/22638 520.0 0.519 0.519 0.553 -0.000 0.000 -0.000 3/22638 530.0 0.509 0.509 0.543 -0.000 0.000 -0.000 3/22638 540.0 0.500 0.500 0.533 -0.000 0.000 -0.000 3/22638 550.0 0.490 0.490 0.523 -0.000 0.000 -0.000 3/22638 560.0 0.482 0.482 0.513 -0.000 0.000 -0.000 3/22638 570.0 0.473 0.473 0.504 -0.000 0.000 -0.000 3/22638 580.0 0.465 0.465 0.496 -0.000 0.000 -0.000 3/22638 590.0 0.457 0.457 0.487 -0.000 0.000 -0.000 3/22638 600.0 0.449 0.449 0.479 -0.000 0.000 -0.000 3/22638 610.0 0.442 0.442 0.471 -0.000 0.000 -0.000 3/22638 620.0 0.434 0.434 0.463 -0.000 0.000 -0.000 3/22638 630.0 0.428 0.428 0.456 -0.000 0.000 -0.000 3/22638 640.0 0.421 0.421 0.449 -0.000 0.000 -0.000 3/22638 650.0 0.414 0.414 0.442 -0.000 0.000 -0.000 3/22638 660.0 0.408 0.408 0.435 -0.000 0.000 -0.000 3/22638 670.0 0.402 0.402 0.429 -0.000 0.000 -0.000 3/22638 680.0 0.396 0.396 0.422 -0.000 0.000 -0.000 3/22638 690.0 0.390 0.390 0.416 -0.000 0.000 -0.000 3/22638 700.0 0.384 0.384 0.410 -0.000 0.000 -0.000 3/22638 710.0 0.379 0.379 0.404 -0.000 0.000 -0.000 3/22638 720.0 0.374 0.374 0.399 -0.000 0.000 -0.000 3/22638 730.0 0.368 0.368 0.393 -0.000 0.000 -0.000 3/22638 740.0 0.363 0.363 0.388 -0.000 0.000 -0.000 3/22638 750.0 0.359 0.359 0.383 -0.000 0.000 -0.000 3/22638 760.0 0.354 0.354 0.378 -0.000 0.000 -0.000 3/22638 770.0 0.349 0.349 0.373 -0.000 0.000 -0.000 3/22638 780.0 0.345 0.345 0.368 -0.000 0.000 -0.000 3/22638 790.0 0.340 0.340 0.363 -0.000 0.000 -0.000 3/22638 800.0 0.336 0.336 0.359 -0.000 0.000 -0.000 3/22638 810.0 0.332 0.332 0.354 -0.000 0.000 -0.000 3/22638 820.0 0.328 0.328 0.350 -0.000 0.000 -0.000 3/22638 830.0 0.324 0.324 0.346 -0.000 0.000 -0.000 3/22638 840.0 0.320 0.320 0.342 -0.000 0.000 -0.000 3/22638 850.0 0.316 0.316 0.338 -0.000 0.000 -0.000 3/22638 860.0 0.312 0.312 0.334 -0.000 0.000 -0.000 3/22638 870.0 0.309 0.309 0.330 -0.000 0.000 -0.000 3/22638 880.0 0.305 0.305 0.326 -0.000 0.000 -0.000 3/22638 890.0 0.302 0.302 0.322 -0.000 0.000 -0.000 3/22638 900.0 0.298 0.298 0.319 -0.000 0.000 -0.000 3/22638 910.0 0.295 0.295 0.315 -0.000 0.000 -0.000 3/22638 920.0 0.292 0.292 0.312 -0.000 0.000 -0.000 3/22638 930.0 0.289 0.289 0.309 -0.000 0.000 -0.000 3/22638 940.0 0.286 0.286 0.305 -0.000 0.000 -0.000 3/22638 950.0 0.283 0.283 0.302 -0.000 0.000 -0.000 3/22638 960.0 0.280 0.280 0.299 -0.000 0.000 -0.000 3/22638 970.0 0.277 0.277 0.296 -0.000 0.000 -0.000 3/22638 980.0 0.274 0.274 0.293 -0.000 0.000 -0.000 3/22638 990.0 0.271 0.271 0.290 -0.000 0.000 -0.000 3/22638 1000.0 0.269 0.269 0.287 -0.000 0.000 -0.000 3/22638 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:54:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|