----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:10:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.654135877084222 2.109716332290041 5.487322873333327 b -3.654135877084215 2.109716332290041 5.487322873333327 c 0.000000000000004 -4.219432664580087 5.487322873333327 Atomic positions (fractional): *1 O 0.95059475024994 0.34779203684467 0.34779203684467 15.999 2 O 0.34779203684467 0.95059475024994 0.34779203684467 15.999 3 O 0.34779203684467 0.34779203684467 0.95059475024994 15.999 4 O 0.04940524975006 0.65220796315533 0.65220796315533 15.999 5 O 0.65220796315533 0.04940524975006 0.65220796315533 15.999 6 O 0.65220796315533 0.65220796315533 0.04940524975006 15.999 *7 O 0.75770509282781 0.37993925589109 0.75770509282781 15.999 8 O 0.37993925589108 0.75770509282782 0.75770509282781 15.999 9 O 0.75770509282782 0.75770509282782 0.37993925589108 15.999 10 O 0.62006074410892 0.24229490717219 0.24229490717218 15.999 11 O 0.24229490717218 0.24229490717219 0.62006074410892 15.999 12 O 0.24229490717218 0.62006074410892 0.24229490717218 15.999 *13 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 14 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 15 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 *16 Sb 0.15022175386462 0.15022175386462 0.15022175386462 121.760 17 Sb 0.84977824613538 0.84977824613538 0.84977824613538 121.760 *18 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.308271754168437 0.000000000000000 0.000000000000000 b -3.654135877084219 6.329148996870129 0.000000000000000 c 0.000000000000000 0.000000000000000 16.461968620000000 Atomic positions (fractional): *1 O 0.06853514227018 0.53426757113509 0.88205960797976 15.999 > 1 2 O 0.46573242886491 0.53426757113509 0.88205960797976 15.999 > 2 3 O 0.46573242886491 0.93146485772982 0.88205960797976 15.999 > 3 4 O 0.26479819106315 0.13239909553158 0.78460705868691 15.999 > 4 5 O 0.86760090446842 0.13239909553158 0.78460705868691 15.999 > 5 6 O 0.86760090446842 0.73520180893685 0.78460705868691 15.999 > 6 *7 O 0.79258861231224 0.20741138768776 0.96511648051557 15.999 > 7 8 O 0.41482277537551 0.20741138768776 0.96511648051557 15.999 > 8 9 O 0.79258861231224 0.58517722462449 0.96511648051557 15.999 > 9 10 O 0.91851055795782 0.45925527897891 0.70155018615110 15.999 > 10 11 O 0.54074472102109 0.08148944204218 0.70155018615110 15.999 > 11 12 O 0.54074472102109 0.45925527897891 0.70155018615110 15.999 > 12 13 O 0.73520180893685 0.86760090446842 0.21539294131309 15.999 > 1 14 O 0.13239909553158 0.86760090446842 0.21539294131309 15.999 > 2 15 O 0.13239909553158 0.26479819106315 0.21539294131309 15.999 > 3 16 O 0.93146485772982 0.46573242886491 0.11794039202024 15.999 > 4 17 O 0.53426757113509 0.46573242886491 0.11794039202024 15.999 > 5 18 O 0.53426757113509 0.06853514227018 0.11794039202024 15.999 > 6 19 O 0.45925527897891 0.54074472102109 0.29844981384890 15.999 > 7 20 O 0.08148944204218 0.54074472102109 0.29844981384890 15.999 > 8 21 O 0.45925527897891 0.91851055795782 0.29844981384890 15.999 > 9 22 O 0.58517722462449 0.79258861231224 0.03488351948443 15.999 > 10 23 O 0.20741138768776 0.41482277537551 0.03488351948443 15.999 > 11 24 O 0.20741138768776 0.79258861231224 0.03488351948443 15.999 > 12 25 O 0.40186847560351 0.20093423780176 0.54872627464643 15.999 > 1 26 O 0.79906576219824 0.20093423780176 0.54872627464643 15.999 > 2 27 O 0.79906576219824 0.59813152439649 0.54872627464643 15.999 > 3 28 O 0.59813152439649 0.79906576219824 0.45127372535357 15.999 > 4 29 O 0.20093423780176 0.79906576219824 0.45127372535357 15.999 > 5 30 O 0.20093423780176 0.40186847560351 0.45127372535357 15.999 > 6 31 O 0.12592194564558 0.87407805435442 0.63178314718224 15.999 > 7 32 O 0.74815610870884 0.87407805435442 0.63178314718224 15.999 > 8 33 O 0.12592194564558 0.25184389129116 0.63178314718224 15.999 > 9 34 O 0.25184389129116 0.12592194564558 0.36821685281776 15.999 > 10 35 O 0.87407805435442 0.74815610870884 0.36821685281776 15.999 > 11 36 O 0.87407805435442 0.12592194564558 0.36821685281776 15.999 > 12 *37 Sb 0.33333333333333 0.16666666666667 0.66666666666667 121.760 > 13 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 14 39 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 15 *40 Sb 0.66666666666667 0.33333333333333 0.48355508719795 121.760 > 16 41 Sb 0.66666666666667 0.33333333333333 0.18311157946872 121.760 > 17 42 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 13 43 Sb 0.16666666666667 0.83333333333333 0.33333333333333 121.760 > 14 44 Sb 0.16666666666667 0.33333333333333 0.33333333333333 121.760 > 15 45 Sb 0.33333333333333 0.66666666666667 0.81688842053128 121.760 > 16 46 Sb 0.33333333333333 0.66666666666667 0.51644491280205 121.760 > 17 47 Sb 0.66666666666667 0.83333333333333 0.33333333333333 121.760 > 13 48 Sb 0.83333333333333 0.16666666666667 0.66666666666667 121.760 > 14 49 Sb 0.83333333333333 0.66666666666667 0.66666666666667 121.760 > 15 50 Sb 0.00000000000000 0.00000000000000 0.15022175386462 121.760 > 16 51 Sb 0.00000000000000 0.00000000000000 0.84977824613538 121.760 > 17 *52 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 18 53 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 18 54 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.308271754168437 0.000000000000000 0.000000000000000 b -3.654135877084219 6.329148996870129 0.000000000000000 c 0.000000000000000 0.000000000000000 16.461968620000000 Atomic positions (fractional): *1 O 0.06853514227018 0.53426757113509 0.88205960797976 15.999 > 1 2 O 0.46573242886491 0.53426757113509 0.88205960797976 15.999 > 2 3 O 0.46573242886491 0.93146485772982 0.88205960797976 15.999 > 3 4 O 0.26479819106315 0.13239909553158 0.78460705868691 15.999 > 4 5 O 0.86760090446842 0.13239909553158 0.78460705868691 15.999 > 5 6 O 0.86760090446842 0.73520180893685 0.78460705868691 15.999 > 6 *7 O 0.79258861231224 0.20741138768776 0.96511648051557 15.999 > 7 8 O 0.41482277537551 0.20741138768776 0.96511648051557 15.999 > 8 9 O 0.79258861231224 0.58517722462449 0.96511648051557 15.999 > 9 10 O 0.91851055795782 0.45925527897891 0.70155018615110 15.999 > 10 11 O 0.54074472102109 0.08148944204218 0.70155018615110 15.999 > 11 12 O 0.54074472102109 0.45925527897891 0.70155018615110 15.999 > 12 13 O 0.73520180893685 0.86760090446842 0.21539294131309 15.999 > 1 14 O 0.13239909553158 0.86760090446842 0.21539294131309 15.999 > 2 15 O 0.13239909553158 0.26479819106315 0.21539294131309 15.999 > 3 16 O 0.93146485772982 0.46573242886491 0.11794039202024 15.999 > 4 17 O 0.53426757113509 0.46573242886491 0.11794039202024 15.999 > 5 18 O 0.53426757113509 0.06853514227018 0.11794039202024 15.999 > 6 19 O 0.45925527897891 0.54074472102109 0.29844981384890 15.999 > 7 20 O 0.08148944204218 0.54074472102109 0.29844981384890 15.999 > 8 21 O 0.45925527897891 0.91851055795782 0.29844981384890 15.999 > 9 22 O 0.58517722462449 0.79258861231224 0.03488351948443 15.999 > 10 23 O 0.20741138768776 0.41482277537551 0.03488351948443 15.999 > 11 24 O 0.20741138768776 0.79258861231224 0.03488351948443 15.999 > 12 25 O 0.40186847560351 0.20093423780176 0.54872627464643 15.999 > 1 26 O 0.79906576219824 0.20093423780176 0.54872627464643 15.999 > 2 27 O 0.79906576219824 0.59813152439649 0.54872627464643 15.999 > 3 28 O 0.59813152439649 0.79906576219824 0.45127372535357 15.999 > 4 29 O 0.20093423780176 0.79906576219824 0.45127372535357 15.999 > 5 30 O 0.20093423780176 0.40186847560351 0.45127372535357 15.999 > 6 31 O 0.12592194564558 0.87407805435442 0.63178314718224 15.999 > 7 32 O 0.74815610870884 0.87407805435442 0.63178314718224 15.999 > 8 33 O 0.12592194564558 0.25184389129116 0.63178314718224 15.999 > 9 34 O 0.25184389129116 0.12592194564558 0.36821685281776 15.999 > 10 35 O 0.87407805435442 0.74815610870884 0.36821685281776 15.999 > 11 36 O 0.87407805435442 0.12592194564558 0.36821685281776 15.999 > 12 *37 Sb 0.33333333333333 0.16666666666667 0.66666666666667 121.760 > 13 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 14 39 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 15 *40 Sb 0.66666666666667 0.33333333333333 0.48355508719795 121.760 > 16 41 Sb 0.66666666666667 0.33333333333333 0.18311157946872 121.760 > 17 42 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 13 43 Sb 0.16666666666667 0.83333333333333 0.33333333333333 121.760 > 14 44 Sb 0.16666666666667 0.33333333333333 0.33333333333333 121.760 > 15 45 Sb 0.33333333333333 0.66666666666667 0.81688842053128 121.760 > 16 46 Sb 0.33333333333333 0.66666666666667 0.51644491280205 121.760 > 17 47 Sb 0.66666666666667 0.83333333333333 0.33333333333333 121.760 > 13 48 Sb 0.83333333333333 0.16666666666667 0.66666666666667 121.760 > 14 49 Sb 0.83333333333333 0.66666666666667 0.66666666666667 121.760 > 15 50 Sb 0.00000000000000 0.00000000000000 0.15022175386462 121.760 > 16 51 Sb 0.00000000000000 0.00000000000000 0.84977824613538 121.760 > 17 *52 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 18 53 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 18 54 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5786505 -0.0000000 0.0000000 0.0000000 4.5786505 0.0000000 0.0000000 0.0000000 4.4312160 -------------------------- Born effective charges -------------------------- 1 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 2 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 3 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 4 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 5 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 6 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 7 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 8 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 9 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 10 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 11 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 12 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 13 Sb 5.3185927 0.5147837 -0.0392343 0.5147837 4.7241718 -0.0226519 0.5043940 0.2912120 4.6059499 14 Sb 5.3185927 -0.5147837 0.0392343 -0.5147837 4.7241718 -0.0226519 -0.5043940 0.2912120 4.6059499 15 Sb 4.4269613 -0.0000000 0.0000000 -0.0000000 5.6158032 0.0453038 0.0000000 -0.5824240 4.6059499 16 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 17 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 18 La 4.2274685 -0.0000000 0.0000000 -0.0000000 4.2274685 -0.0000000 0.0000000 0.0000000 4.6123436 ---------------------------------------------------------------------------- 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: 162/162 Permutation basis: 5877/5877 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 311 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: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), data: True ----- Solver_atoms: 1 -- 54 / 54 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.180 Solver_block: 200 / 240 - Time: 0.222 Solver_block: 240 / 240 - Time: 0.087 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.497 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 162/162 Permutation basis: 5877/5877 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 431 Number of blocks in projector: 311 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: 190 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (431, 412), data: False |-- (81, 76), data: True |-- (160, 154), data: True |-- (190, 182), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:10:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:10:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.654135877084222 2.109716332290041 5.487322873333327 b -3.654135877084215 2.109716332290041 5.487322873333327 c 0.000000000000004 -4.219432664580087 5.487322873333327 Atomic positions (fractional): 1 O 0.95059475024994 0.34779203684467 0.34779203684467 15.999 2 O 0.34779203684467 0.95059475024994 0.34779203684467 15.999 3 O 0.34779203684467 0.34779203684467 0.95059475024994 15.999 4 O 0.04940524975006 0.65220796315533 0.65220796315533 15.999 5 O 0.65220796315533 0.04940524975006 0.65220796315533 15.999 6 O 0.65220796315533 0.65220796315533 0.04940524975006 15.999 7 O 0.75770509282781 0.37993925589109 0.75770509282781 15.999 8 O 0.37993925589108 0.75770509282782 0.75770509282781 15.999 9 O 0.75770509282782 0.75770509282782 0.37993925589108 15.999 10 O 0.62006074410892 0.24229490717219 0.24229490717218 15.999 11 O 0.24229490717218 0.24229490717219 0.62006074410892 15.999 12 O 0.24229490717218 0.62006074410892 0.24229490717218 15.999 13 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 14 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 15 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 16 Sb 0.15022175386462 0.15022175386462 0.15022175386462 121.760 17 Sb 0.84977824613538 0.84977824613538 0.84977824613538 121.760 18 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.308271754168437 0.000000000000000 0.000000000000000 b -3.654135877084219 6.329148996870129 0.000000000000000 c 0.000000000000000 0.000000000000000 16.461968620000000 Atomic positions (fractional): 1 O 0.06853514227018 0.53426757113509 0.88205960797976 15.999 > 1 2 O 0.46573242886491 0.53426757113509 0.88205960797976 15.999 > 2 3 O 0.46573242886491 0.93146485772982 0.88205960797976 15.999 > 3 4 O 0.26479819106315 0.13239909553158 0.78460705868691 15.999 > 4 5 O 0.86760090446842 0.13239909553158 0.78460705868691 15.999 > 5 6 O 0.86760090446842 0.73520180893685 0.78460705868691 15.999 > 6 7 O 0.79258861231224 0.20741138768776 0.96511648051557 15.999 > 7 8 O 0.41482277537551 0.20741138768776 0.96511648051557 15.999 > 8 9 O 0.79258861231224 0.58517722462449 0.96511648051557 15.999 > 9 10 O 0.91851055795782 0.45925527897891 0.70155018615110 15.999 > 10 11 O 0.54074472102109 0.08148944204218 0.70155018615110 15.999 > 11 12 O 0.54074472102109 0.45925527897891 0.70155018615110 15.999 > 12 13 O 0.73520180893685 0.86760090446842 0.21539294131309 15.999 > 1 14 O 0.13239909553158 0.86760090446842 0.21539294131309 15.999 > 2 15 O 0.13239909553158 0.26479819106315 0.21539294131309 15.999 > 3 16 O 0.93146485772982 0.46573242886491 0.11794039202024 15.999 > 4 17 O 0.53426757113509 0.46573242886491 0.11794039202024 15.999 > 5 18 O 0.53426757113509 0.06853514227018 0.11794039202024 15.999 > 6 19 O 0.45925527897891 0.54074472102109 0.29844981384890 15.999 > 7 20 O 0.08148944204218 0.54074472102109 0.29844981384890 15.999 > 8 21 O 0.45925527897891 0.91851055795782 0.29844981384890 15.999 > 9 22 O 0.58517722462449 0.79258861231224 0.03488351948443 15.999 > 10 23 O 0.20741138768776 0.41482277537551 0.03488351948443 15.999 > 11 24 O 0.20741138768776 0.79258861231224 0.03488351948443 15.999 > 12 25 O 0.40186847560351 0.20093423780176 0.54872627464643 15.999 > 1 26 O 0.79906576219824 0.20093423780176 0.54872627464643 15.999 > 2 27 O 0.79906576219824 0.59813152439649 0.54872627464643 15.999 > 3 28 O 0.59813152439649 0.79906576219824 0.45127372535357 15.999 > 4 29 O 0.20093423780176 0.79906576219824 0.45127372535357 15.999 > 5 30 O 0.20093423780176 0.40186847560351 0.45127372535357 15.999 > 6 31 O 0.12592194564558 0.87407805435442 0.63178314718224 15.999 > 7 32 O 0.74815610870884 0.87407805435442 0.63178314718224 15.999 > 8 33 O 0.12592194564558 0.25184389129116 0.63178314718224 15.999 > 9 34 O 0.25184389129116 0.12592194564558 0.36821685281776 15.999 > 10 35 O 0.87407805435442 0.74815610870884 0.36821685281776 15.999 > 11 36 O 0.87407805435442 0.12592194564558 0.36821685281776 15.999 > 12 37 Sb 0.33333333333333 0.16666666666667 0.66666666666667 121.760 > 37 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 38 39 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 39 40 Sb 0.66666666666667 0.33333333333333 0.48355508719795 121.760 > 40 41 Sb 0.66666666666667 0.33333333333333 0.18311157946872 121.760 > 41 42 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 37 43 Sb 0.16666666666667 0.83333333333333 0.33333333333333 121.760 > 38 44 Sb 0.16666666666667 0.33333333333333 0.33333333333333 121.760 > 39 45 Sb 0.33333333333333 0.66666666666667 0.81688842053128 121.760 > 40 46 Sb 0.33333333333333 0.66666666666667 0.51644491280205 121.760 > 41 47 Sb 0.66666666666667 0.83333333333333 0.33333333333333 121.760 > 37 48 Sb 0.83333333333333 0.16666666666667 0.66666666666667 121.760 > 38 49 Sb 0.83333333333333 0.66666666666667 0.66666666666667 121.760 > 39 50 Sb 0.00000000000000 0.00000000000000 0.15022175386462 121.760 > 40 51 Sb 0.00000000000000 0.00000000000000 0.84977824613538 121.760 > 41 52 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 52 53 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 52 54 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5786505 -0.0000000 0.0000000 0.0000000 4.5786505 0.0000000 0.0000000 0.0000000 4.4312160 -------------------------- Born effective charges -------------------------- 1 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 2 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 3 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 4 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 5 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 6 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 7 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 8 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 9 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 10 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 11 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 12 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 13 Sb 5.3185927 0.5147837 -0.0392343 0.5147837 4.7241718 -0.0226519 0.5043940 0.2912120 4.6059499 14 Sb 5.3185927 -0.5147837 0.0392343 -0.5147837 4.7241718 -0.0226519 -0.5043940 0.2912120 4.6059499 15 Sb 4.4269613 -0.0000000 0.0000000 -0.0000000 5.6158032 0.0453038 0.0000000 -0.5824240 4.6059499 16 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 17 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 18 La 4.2274685 -0.0000000 0.0000000 -0.0000000 4.2274685 -0.0000000 0.0000000 0.0000000 4.6123436 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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[ 52, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:10:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:10:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.654135877084222 2.109716332290041 5.487322873333327 b -3.654135877084215 2.109716332290041 5.487322873333327 c 0.000000000000004 -4.219432664580087 5.487322873333327 Atomic positions (fractional): 1 O 0.95059475024994 0.34779203684467 0.34779203684467 15.999 2 O 0.34779203684467 0.95059475024994 0.34779203684467 15.999 3 O 0.34779203684467 0.34779203684467 0.95059475024994 15.999 4 O 0.04940524975006 0.65220796315533 0.65220796315533 15.999 5 O 0.65220796315533 0.04940524975006 0.65220796315533 15.999 6 O 0.65220796315533 0.65220796315533 0.04940524975006 15.999 7 O 0.75770509282781 0.37993925589109 0.75770509282781 15.999 8 O 0.37993925589108 0.75770509282782 0.75770509282781 15.999 9 O 0.75770509282782 0.75770509282782 0.37993925589108 15.999 10 O 0.62006074410892 0.24229490717219 0.24229490717218 15.999 11 O 0.24229490717218 0.24229490717219 0.62006074410892 15.999 12 O 0.24229490717218 0.62006074410892 0.24229490717218 15.999 13 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 14 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 15 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 16 Sb 0.15022175386462 0.15022175386462 0.15022175386462 121.760 17 Sb 0.84977824613538 0.84977824613538 0.84977824613538 121.760 18 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.308271754168437 0.000000000000000 0.000000000000000 b -3.654135877084219 6.329148996870129 0.000000000000000 c 0.000000000000000 0.000000000000000 16.461968620000000 Atomic positions (fractional): 1 O 0.06853514227018 0.53426757113509 0.88205960797976 15.999 > 1 2 O 0.46573242886491 0.53426757113509 0.88205960797976 15.999 > 2 3 O 0.46573242886491 0.93146485772982 0.88205960797976 15.999 > 3 4 O 0.26479819106315 0.13239909553158 0.78460705868691 15.999 > 4 5 O 0.86760090446842 0.13239909553158 0.78460705868691 15.999 > 5 6 O 0.86760090446842 0.73520180893685 0.78460705868691 15.999 > 6 7 O 0.79258861231224 0.20741138768776 0.96511648051557 15.999 > 7 8 O 0.41482277537551 0.20741138768776 0.96511648051557 15.999 > 8 9 O 0.79258861231224 0.58517722462449 0.96511648051557 15.999 > 9 10 O 0.91851055795782 0.45925527897891 0.70155018615110 15.999 > 10 11 O 0.54074472102109 0.08148944204218 0.70155018615110 15.999 > 11 12 O 0.54074472102109 0.45925527897891 0.70155018615110 15.999 > 12 13 O 0.73520180893685 0.86760090446842 0.21539294131309 15.999 > 1 14 O 0.13239909553158 0.86760090446842 0.21539294131309 15.999 > 2 15 O 0.13239909553158 0.26479819106315 0.21539294131309 15.999 > 3 16 O 0.93146485772982 0.46573242886491 0.11794039202024 15.999 > 4 17 O 0.53426757113509 0.46573242886491 0.11794039202024 15.999 > 5 18 O 0.53426757113509 0.06853514227018 0.11794039202024 15.999 > 6 19 O 0.45925527897891 0.54074472102109 0.29844981384890 15.999 > 7 20 O 0.08148944204218 0.54074472102109 0.29844981384890 15.999 > 8 21 O 0.45925527897891 0.91851055795782 0.29844981384890 15.999 > 9 22 O 0.58517722462449 0.79258861231224 0.03488351948443 15.999 > 10 23 O 0.20741138768776 0.41482277537551 0.03488351948443 15.999 > 11 24 O 0.20741138768776 0.79258861231224 0.03488351948443 15.999 > 12 25 O 0.40186847560351 0.20093423780176 0.54872627464643 15.999 > 1 26 O 0.79906576219824 0.20093423780176 0.54872627464643 15.999 > 2 27 O 0.79906576219824 0.59813152439649 0.54872627464643 15.999 > 3 28 O 0.59813152439649 0.79906576219824 0.45127372535357 15.999 > 4 29 O 0.20093423780176 0.79906576219824 0.45127372535357 15.999 > 5 30 O 0.20093423780176 0.40186847560351 0.45127372535357 15.999 > 6 31 O 0.12592194564558 0.87407805435442 0.63178314718224 15.999 > 7 32 O 0.74815610870884 0.87407805435442 0.63178314718224 15.999 > 8 33 O 0.12592194564558 0.25184389129116 0.63178314718224 15.999 > 9 34 O 0.25184389129116 0.12592194564558 0.36821685281776 15.999 > 10 35 O 0.87407805435442 0.74815610870884 0.36821685281776 15.999 > 11 36 O 0.87407805435442 0.12592194564558 0.36821685281776 15.999 > 12 37 Sb 0.33333333333333 0.16666666666667 0.66666666666667 121.760 > 37 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 38 39 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 39 40 Sb 0.66666666666667 0.33333333333333 0.48355508719795 121.760 > 40 41 Sb 0.66666666666667 0.33333333333333 0.18311157946872 121.760 > 41 42 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 37 43 Sb 0.16666666666667 0.83333333333333 0.33333333333333 121.760 > 38 44 Sb 0.16666666666667 0.33333333333333 0.33333333333333 121.760 > 39 45 Sb 0.33333333333333 0.66666666666667 0.81688842053128 121.760 > 40 46 Sb 0.33333333333333 0.66666666666667 0.51644491280205 121.760 > 41 47 Sb 0.66666666666667 0.83333333333333 0.33333333333333 121.760 > 37 48 Sb 0.83333333333333 0.16666666666667 0.66666666666667 121.760 > 38 49 Sb 0.83333333333333 0.66666666666667 0.66666666666667 121.760 > 39 50 Sb 0.00000000000000 0.00000000000000 0.15022175386462 121.760 > 40 51 Sb 0.00000000000000 0.00000000000000 0.84977824613538 121.760 > 41 52 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 52 53 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 52 54 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5786505 -0.0000000 0.0000000 0.0000000 4.5786505 0.0000000 0.0000000 0.0000000 4.4312160 -------------------------- Born effective charges -------------------------- 1 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 2 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 3 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 4 O -2.4790402 -0.7686256 0.9849489 -0.7686256 -1.5915078 0.5686605 0.2372405 0.1369708 -2.2626098 5 O -2.4790402 0.7686256 -0.9849489 0.7686256 -1.5915078 0.5686605 -0.2372405 0.1369708 -2.2626098 6 O -1.1477416 -0.0000000 -0.0000000 0.0000000 -2.9228064 -1.1373210 0.0000000 -0.2739417 -2.2626098 7 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 8 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 9 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 10 O -1.9897731 0.6106023 -0.0523601 0.6106023 -2.6948359 -0.0302301 0.0485742 0.0280443 -1.7785477 11 O -3.0473673 0.0000000 0.0000000 -0.0000000 -1.6372418 0.0604602 0.0000000 -0.0560887 -1.7785477 12 O -1.9897731 -0.6106023 0.0523601 -0.6106023 -2.6948359 -0.0302301 -0.0485742 0.0280443 -1.7785477 13 Sb 5.3185927 0.5147837 -0.0392343 0.5147837 4.7241718 -0.0226519 0.5043940 0.2912120 4.6059499 14 Sb 5.3185927 -0.5147837 0.0392343 -0.5147837 4.7241718 -0.0226519 -0.5043940 0.2912120 4.6059499 15 Sb 4.4269613 -0.0000000 0.0000000 -0.0000000 5.6158032 0.0453038 0.0000000 -0.5824240 4.6059499 16 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 17 Sb 3.4869279 -0.0000000 0.0000000 0.0000000 3.4869279 -0.0000000 0.0000000 0.0000000 2.9083758 18 La 4.2274685 -0.0000000 0.0000000 -0.0000000 4.2274685 -0.0000000 0.0000000 0.0000000 4.6123436 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.66, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 65 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 2.754 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.074 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.756 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 10.971 ( 0.000 0.000 0.000) 0.000 10.971 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.267 ( 0.000 0.000 0.000) 0.000 19.106 ( 0.000 0.000 0.000) 0.000 19.106 ( 0.000 0.000 0.000) 0.000 21.046 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 22.352 ( 0.000 0.000 0.000) 0.000 22.537 ( 0.000 0.000 0.000) 0.000 23.542 ( 0.000 0.000 0.000) 0.000 23.542 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 20.436 11.799 16.872) 29.009 0.719 ( 26.742 15.440 9.860) 32.416 1.124 ( 45.393 26.207 4.263) 52.588 2.683 ( -4.827 -2.787 -3.412) 6.535 2.806 ( 0.083 0.048 4.603) 4.604 3.152 ( -0.400 -0.231 -9.389) 9.400 3.615 ( -4.441 -2.564 -1.071) 5.239 3.806 ( -1.316 -0.760 -1.180) 1.924 3.820 ( -1.728 -0.997 2.754) 3.401 3.851 ( 3.670 2.119 -3.263) 5.349 3.931 ( -2.662 -1.537 7.410) 8.023 4.483 ( -4.932 -2.847 4.995) 7.575 5.125 ( -6.273 -3.622 -7.959) 10.762 5.231 ( 10.585 6.111 2.791) 12.537 5.655 ( 9.218 5.322 -1.804) 10.796 5.983 ( -3.995 -2.306 -0.360) 4.627 6.023 ( -7.549 -4.358 -2.945) 9.201 6.111 ( -1.234 -0.712 -2.374) 2.769 6.405 ( 6.774 3.911 -23.444) 24.714 6.764 ( 0.882 0.509 -2.246) 2.466 6.994 ( -7.325 -4.229 28.165) 29.407 7.153 ( -0.809 -0.467 1.597) 1.850 7.258 ( 1.021 0.590 1.557) 1.953 8.470 ( -0.236 -0.136 -0.608) 0.666 8.627 ( 11.067 6.389 -4.745) 13.631 8.878 ( -1.361 -0.786 5.625) 5.840 9.004 ( -3.979 -2.297 -5.624) 7.263 9.204 ( 2.685 1.550 -3.035) 4.339 9.309 ( -9.424 -5.441 8.925) 14.074 10.039 ( -5.421 -3.130 3.320) 7.086 11.012 ( 4.385 2.532 -3.013) 5.892 11.087 ( 7.939 4.584 2.452) 9.490 11.691 ( -0.994 -0.574 -3.477) 3.661 11.872 ( -0.130 -0.075 -0.135) 0.201 11.889 ( -1.234 -0.713 7.413) 7.548 12.667 ( 17.129 9.889 -50.625) 54.352 13.051 ( -6.471 -3.736 -2.061) 7.752 13.450 ( -5.655 -3.265 28.744) 29.477 13.528 ( -5.558 -3.209 -0.945) 6.487 13.715 ( 2.014 1.163 -1.312) 2.670 14.000 ( -11.324 -6.538 31.484) 34.091 14.555 ( -3.183 -1.837 2.124) 4.245 17.874 ( -0.553 -0.319 -0.928) 1.126 18.009 ( 10.567 6.101 1.117) 12.253 18.339 ( 6.186 3.572 0.152) 7.145 19.124 ( 1.352 0.780 0.865) 1.784 20.973 ( -6.537 -3.774 -0.024) 7.549 21.104 ( 9.636 5.563 -39.845) 41.369 21.716 ( -2.617 -1.511 -0.195) 3.028 21.776 ( -1.869 -1.079 -52.103) 52.148 22.612 ( -1.445 -0.834 12.829) 12.937 23.262 ( -4.007 -2.314 29.287) 29.650 23.581 ( 3.170 1.830 -0.031) 3.661 23.597 ( 3.459 1.997 2.142) 4.532 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 16.693 9.638 11.127) 22.256 1.330 ( 19.415 11.209 9.407) 24.312 2.066 ( 33.722 19.470 0.003) 38.939 2.506 ( -7.268 -4.196 -4.547) 9.545 2.869 ( 0.307 0.177 12.503) 12.508 3.069 ( 1.888 1.090 -14.275) 14.440 3.476 ( -6.585 -3.802 -0.073) 7.605 3.737 ( -3.674 -2.121 -1.519) 4.506 3.791 ( -3.218 -1.858 4.232) 5.632 3.854 ( -0.949 -0.548 0.564) 1.233 4.047 ( 7.717 4.455 4.757) 10.101 4.421 ( -3.523 -2.034 2.878) 4.983 4.929 ( -5.814 -3.357 -7.106) 9.776 5.515 ( 9.920 5.727 5.662) 12.778 5.804 ( 4.286 2.474 -3.191) 5.889 5.816 ( -7.602 -4.389 -0.915) 8.826 5.873 ( -4.293 -2.478 -1.172) 5.093 6.047 ( -1.689 -0.975 -3.491) 3.999 6.386 ( 2.234 1.290 -7.613) 8.038 6.756 ( 1.092 0.631 -5.134) 5.287 7.058 ( -1.709 -0.986 15.537) 15.661 7.145 ( -1.652 -0.954 1.423) 2.380 7.305 ( 3.776 2.180 -4.258) 6.095 8.474 ( 1.433 0.827 -0.863) 1.866 8.672 ( -2.217 -1.280 -2.321) 3.455 8.851 ( -6.418 -3.705 -2.282) 7.754 9.101 ( -10.521 -6.074 3.766) 12.718 9.102 ( 14.250 8.227 4.075) 16.952 9.251 ( 1.069 0.617 -0.060) 1.236 9.932 ( -4.603 -2.657 -0.747) 5.367 11.112 ( 6.643 3.835 -4.611) 8.950 11.297 ( 7.589 4.381 2.449) 9.098 11.617 ( -3.279 -1.893 -2.950) 4.800 11.879 ( 0.939 0.542 0.147) 1.094 11.936 ( -0.240 -0.139 9.086) 9.090 12.650 ( 5.629 3.250 -23.478) 24.361 12.893 ( -4.092 -2.362 -4.990) 6.871 13.347 ( -8.822 -5.093 -1.613) 10.314 13.528 ( -1.829 -1.056 14.061) 14.218 13.782 ( 4.091 2.362 0.875) 4.804 13.976 ( -5.398 -3.117 12.697) 14.144 14.468 ( -6.150 -3.551 2.862) 7.656 17.844 ( -1.183 -0.683 -1.452) 1.994 18.368 ( 19.233 11.104 2.566) 22.356 18.530 ( 9.462 5.463 0.308) 10.930 19.189 ( 3.972 2.293 1.388) 4.792 20.750 ( -12.557 -7.250 -0.184) 14.501 20.938 ( -12.779 -7.378 -2.623) 14.987 21.322 ( -3.472 -2.005 -39.340) 39.544 21.652 ( -2.398 -1.385 -0.248) 2.780 22.621 ( -4.654 -2.687 10.034) 11.382 23.437 ( 5.980 3.453 7.888) 10.484 23.667 ( 3.990 2.304 -0.054) 4.608 23.697 ( 3.924 2.265 0.230) 4.537 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 10.264 5.926 4.403) 12.643 1.710 ( 8.344 4.817 6.282) 11.502 2.325 ( -5.212 -3.009 -3.119) 6.779 2.546 ( 8.737 5.044 -1.463) 10.194 3.046 ( 4.278 2.470 -11.215) 12.255 3.064 ( 7.949 4.590 11.778) 14.932 3.354 ( -3.594 -2.075 0.985) 4.265 3.643 ( -2.999 -1.731 -1.190) 3.661 3.735 ( -4.048 -2.337 3.344) 5.747 3.856 ( 0.593 0.342 0.558) 0.883 4.305 ( 10.607 6.124 5.106) 13.270 4.357 ( -2.622 -1.514 -0.322) 3.045 4.745 ( -5.965 -3.444 -6.283) 9.323 5.634 ( -0.887 -0.512 -0.698) 1.240 5.711 ( -4.281 -2.471 3.293) 5.939 5.764 ( -4.068 -2.348 -3.339) 5.763 5.881 ( 5.791 3.343 2.913) 7.294 6.029 ( 1.432 0.827 -2.109) 2.680 6.392 ( 1.450 0.837 -2.609) 3.100 6.744 ( 0.981 0.566 -4.160) 4.312 7.084 ( -3.454 -1.994 -0.853) 4.078 7.139 ( -0.070 -0.041 9.717) 9.718 7.354 ( 3.485 2.012 -5.502) 6.817 8.526 ( 3.125 1.804 -0.361) 3.626 8.613 ( -1.862 -1.075 0.618) 2.237 8.702 ( -4.358 -2.516 -1.756) 5.330 8.902 ( -8.588 -4.958 2.882) 10.327 9.274 ( 0.611 0.353 0.860) 1.112 9.424 ( 10.595 6.117 1.222) 12.295 9.824 ( -3.545 -2.047 -1.978) 4.546 11.236 ( 6.995 4.038 -3.929) 8.982 11.438 ( 3.387 1.956 1.193) 4.089 11.504 ( -5.233 -3.021 -0.668) 6.080 11.916 ( 1.747 1.008 0.337) 2.045 12.006 ( 0.944 0.545 6.032) 6.130 12.580 ( -0.333 -0.192 -8.093) 8.103 12.803 ( -0.441 -0.255 -6.116) 6.137 13.139 ( -7.399 -4.272 -1.506) 8.676 13.581 ( -0.419 -0.242 6.333) 6.351 13.905 ( 4.969 2.869 0.572) 5.766 13.959 ( -1.161 -0.671 5.739) 5.894 14.323 ( -7.828 -4.519 1.895) 9.235 17.807 ( -0.949 -0.548 -1.059) 1.524 18.721 ( 6.062 3.500 0.184) 7.003 18.893 ( 23.341 13.476 3.967) 27.242 19.339 ( 7.981 4.608 1.294) 9.306 20.433 ( -13.695 -7.907 -0.398) 15.819 20.440 ( -24.794 -14.315 -4.161) 28.930 21.115 ( 1.544 0.892 -16.619) 16.715 21.610 ( -1.136 -0.656 -0.155) 1.320 22.585 ( -2.896 -1.672 4.313) 5.457 23.616 ( 4.916 2.838 4.909) 7.505 23.745 ( 2.563 1.480 -0.045) 2.959 23.760 ( 1.888 1.090 -2.008) 2.963 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 -0.000) 0.000 3.689 ( 0.000 0.000 -0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.552 ( -0.000 -0.000 -0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 -0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.684 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 -0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 8.662 ( -0.000 -0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.286 ( 0.000 0.000 -0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.391 ( -0.000 -0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 11.941 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 -0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 13.039 ( 0.000 0.000 -0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.931 ( 0.000 0.000 -0.000) 0.000 14.047 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 -0.000) 0.000 17.791 ( 0.000 0.000 0.000) 0.000 18.790 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.476 ( -0.000 -0.000 0.000) 0.000 20.006 ( -0.000 -0.000 0.000) 0.000 20.235 ( 0.000 0.000 0.000) 0.000 21.074 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 22.567 ( 0.000 0.000 0.000) 0.000 23.708 ( 0.000 0.000 0.000) 0.000 23.759 ( 0.000 0.000 -0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 24.966 8.189) 26.275 0.769 ( -0.000 18.442 23.376) 29.775 1.259 ( 0.000 48.365 15.404) 50.759 2.726 ( -0.000 -3.130 -2.199) 3.825 2.772 ( -0.000 -1.847 3.306) 3.787 3.074 ( 0.000 2.479 -13.990) 14.208 3.656 ( -0.000 -2.514 2.082) 3.264 3.751 ( 0.000 3.152 -5.761) 6.567 3.797 ( -0.000 -4.319 1.085) 4.453 3.863 ( -0.000 0.652 3.774) 3.830 4.011 ( -0.000 -4.156 7.793) 8.832 4.553 ( -0.000 -5.235 9.702) 11.024 5.102 ( 0.000 -3.732 -6.113) 7.162 5.165 ( 0.000 8.798 -2.505) 9.147 5.641 ( 0.000 10.401 -2.776) 10.765 5.923 ( -0.000 -9.110 -5.069) 10.426 6.036 ( 0.000 -2.814 -7.794) 8.287 6.085 ( -0.000 -3.445 1.525) 3.767 6.293 ( 0.000 13.602 -13.420) 19.108 6.771 ( 0.000 2.477 -1.691) 3.000 7.101 ( -0.000 -12.380 13.715) 18.476 7.137 ( -0.000 -2.373 0.574) 2.441 7.316 ( -0.000 -2.748 5.746) 6.370 8.455 ( 0.000 -0.126 -2.161) 2.165 8.622 ( 0.000 15.149 -5.121) 15.991 8.895 ( -0.000 -4.193 6.990) 8.151 8.972 ( -0.000 -2.820 -2.311) 3.646 9.157 ( 0.000 0.960 -4.193) 4.301 9.390 ( -0.000 -10.357 6.818) 12.400 10.106 ( -0.000 -8.424 7.100) 11.017 11.023 ( 0.000 7.045 -2.609) 7.513 11.107 ( 0.000 9.670 2.720) 10.046 11.644 ( 0.000 -1.096 -4.390) 4.525 11.861 ( 0.000 1.511 -3.563) 3.870 11.924 ( -0.000 -3.265 7.859) 8.510 12.374 ( 0.000 23.587 -27.345) 36.112 13.042 ( -0.000 -5.370 -3.700) 6.521 13.488 ( -0.000 -7.536 -4.298) 8.676 13.627 ( 0.000 4.958 3.727) 6.203 13.712 ( 0.000 2.199 0.961) 2.400 14.225 ( -0.000 -30.850 31.073) 43.786 14.605 ( -0.000 -8.941 13.285) 16.013 17.906 ( -0.000 0.909 1.743) 1.965 18.022 ( 0.000 12.598 1.651) 12.705 18.337 ( 0.000 6.697 -0.075) 6.697 19.095 ( 0.000 0.492 -1.490) 1.569 20.683 ( 0.000 53.281 -66.704) 85.372 20.973 ( -0.000 -7.523 -0.012) 7.523 21.577 ( 0.000 -11.807 -14.793) 18.927 21.732 ( -0.000 -2.489 1.173) 2.751 22.641 ( -0.000 -1.948 4.346) 4.763 23.132 ( -0.000 -19.762 9.729) 22.027 23.580 ( 0.000 3.665 -0.127) 3.667 23.874 ( -0.000 8.185 10.727) 13.493 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 8.020 13.320 17.401) 23.336 1.249 ( 23.424 17.987 6.707) 30.286 1.895 ( 10.454 33.454 7.355) 35.813 2.571 ( -8.036 -3.894 -1.731) 9.096 2.867 ( 6.818 0.039 3.243) 7.550 3.017 ( -0.581 6.269 -8.948) 10.940 3.550 ( -7.074 -3.029 0.554) 7.715 3.723 ( -1.470 -6.288 0.502) 6.477 3.837 ( 3.683 -0.125 -1.030) 3.826 3.894 ( -1.509 3.445 3.295) 5.000 4.031 ( 1.281 -0.197 8.081) 8.184 4.535 ( -5.602 -1.344 7.843) 9.731 4.937 ( -6.345 -3.462 -6.405) 9.657 5.378 ( 13.041 3.940 0.964) 13.657 5.695 ( -0.470 -4.168 -5.657) 7.043 5.808 ( 3.842 -2.486 -5.175) 6.908 5.928 ( -3.291 -2.588 -5.388) 6.824 6.009 ( -3.041 -2.489 -1.160) 4.097 6.356 ( 1.502 7.574 -5.801) 9.658 6.748 ( -1.644 2.411 -5.293) 6.044 7.087 ( 1.390 -8.300 4.281) 9.441 7.147 ( 1.827 -3.919 8.415) 9.461 7.344 ( -0.851 6.943 -0.578) 7.019 8.424 ( -0.710 -1.227 -1.918) 2.385 8.695 ( -2.470 3.250 -3.307) 5.254 8.893 ( -3.764 -3.119 0.745) 4.945 8.990 ( 7.416 3.162 3.016) 8.607 9.173 ( 4.382 -0.750 -3.074) 5.405 9.284 ( -5.824 -5.161 5.493) 9.525 10.004 ( -7.140 -4.276 2.774) 8.772 11.087 ( 1.161 10.725 -4.868) 11.835 11.272 ( 4.410 7.396 4.355) 9.650 11.622 ( -0.231 -0.651 -1.673) 1.810 11.865 ( 1.266 1.494 -2.112) 2.880 11.965 ( 2.096 -4.263 7.909) 9.226 12.443 ( 4.791 10.429 -16.327) 19.957 12.917 ( -4.950 -2.803 -4.320) 7.143 13.336 ( -2.730 -10.589 -4.563) 11.849 13.667 ( -2.174 6.902 -2.073) 7.527 13.767 ( 1.851 2.494 3.068) 4.366 14.100 ( -5.423 -16.608 17.697) 24.869 14.564 ( -5.157 -8.369 11.235) 14.929 17.917 ( -3.107 3.862 0.468) 4.979 18.240 ( 8.881 13.871 3.620) 16.864 18.466 ( 5.931 8.319 -0.324) 10.221 19.151 ( 4.977 2.655 -0.265) 5.647 20.799 ( -4.336 -5.156 -10.401) 12.392 20.821 ( 5.939 13.630 -25.010) 29.095 21.262 ( -9.539 -9.833 -14.474) 19.929 21.655 ( -4.218 -4.369 0.821) 6.128 22.578 ( 1.358 -18.587 5.241) 19.360 23.225 ( 13.241 -0.772 2.577) 13.511 23.646 ( 2.839 4.250 -0.590) 5.145 23.940 ( -8.590 11.035 7.376) 15.810 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.593 7.696 10.097) 14.305 1.820 ( 11.348 19.958 6.906) 23.975 2.268 ( 12.162 3.153 -4.405) 13.314 2.395 ( -7.116 -1.909 0.643) 7.396 2.998 ( -0.800 9.429 -9.348) 13.302 3.103 ( 6.315 3.591 12.095) 14.109 3.410 ( -5.468 -2.369 0.540) 5.983 3.634 ( -2.126 -5.941 1.700) 6.536 3.860 ( -0.170 1.492 1.283) 1.975 3.900 ( -5.322 6.360 1.380) 8.407 4.212 ( 9.446 2.708 6.147) 11.590 4.462 ( -7.456 2.138 3.179) 8.383 4.752 ( -5.164 -4.346 -5.162) 8.497 5.534 ( 0.355 -10.457 -3.634) 11.076 5.622 ( 10.432 -4.684 -0.732) 11.459 5.746 ( -1.140 -7.732 -0.810) 7.858 5.878 ( -0.833 -0.562 -2.726) 2.905 6.005 ( 3.420 8.305 -3.855) 9.774 6.387 ( -0.499 3.892 -2.519) 4.662 6.706 ( 0.550 3.726 -11.075) 11.698 7.051 ( -0.514 -7.763 5.743) 9.671 7.230 ( 1.274 1.438 7.455) 7.699 7.397 ( -0.822 7.819 -1.044) 7.931 8.378 ( 0.697 -6.455 -1.277) 6.617 8.625 ( -1.738 -3.676 0.641) 4.117 8.793 ( -5.103 -1.118 0.864) 5.295 9.039 ( -5.942 -0.882 -0.318) 6.015 9.215 ( 5.078 -1.038 -1.694) 5.453 9.366 ( 7.632 8.239 2.130) 11.431 9.852 ( -6.390 -4.374 0.553) 7.764 11.200 ( 2.758 11.625 -4.034) 12.610 11.425 ( 3.022 3.554 3.172) 5.641 11.578 ( -4.296 0.503 0.779) 4.395 11.899 ( 1.696 0.695 1.109) 2.142 12.028 ( 2.487 -2.208 5.671) 6.574 12.476 ( 3.539 1.784 -8.559) 9.432 12.791 ( -3.591 1.365 -6.372) 7.441 13.142 ( -3.639 -9.352 -3.677) 10.687 13.672 ( -1.629 5.901 -4.572) 7.641 13.866 ( 3.718 2.587 3.349) 5.633 14.000 ( -3.570 -9.511 10.366) 14.514 14.439 ( -8.291 -8.268 8.188) 14.288 17.893 ( -5.103 6.096 0.055) 7.950 18.622 ( 12.933 7.716 0.841) 15.084 18.675 ( 13.160 8.582 3.427) 16.080 19.321 ( 7.062 10.970 0.948) 13.081 20.411 ( -13.716 -23.132 -2.705) 27.029 20.775 ( -13.865 -7.130 -1.698) 15.683 20.996 ( 0.552 17.030 -25.619) 30.768 21.564 ( 0.130 -6.945 0.229) 6.950 22.459 ( 4.662 -20.375 1.947) 20.992 23.481 ( 12.015 2.292 1.816) 12.365 23.730 ( 2.669 3.269 -0.742) 4.285 23.938 ( -9.061 9.983 4.691) 14.275 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.994 1.622 5.221) 5.820 2.019 ( -9.792 16.758 -0.348) 19.412 2.298 ( -4.054 1.403 5.253) 6.782 2.505 ( 13.828 -0.280 -4.503) 14.545 2.947 ( -0.298 -5.142 -0.376) 5.165 3.265 ( 0.775 0.424 2.969) 3.097 3.352 ( -1.352 1.579 -0.617) 2.168 3.578 ( -1.499 -3.014 2.963) 4.485 3.869 ( -6.974 8.600 1.665) 11.197 3.891 ( -1.784 4.591 -0.809) 4.991 4.342 ( -0.980 -0.304 2.024) 2.269 4.500 ( 6.547 5.090 3.286) 8.920 4.599 ( -5.301 -3.457 -2.697) 6.880 5.436 ( 4.515 -10.560 -2.427) 11.738 5.586 ( 2.320 -10.741 -1.015) 11.036 5.768 ( 2.117 0.241 -0.428) 2.173 5.849 ( 3.035 -5.655 -0.407) 6.431 6.126 ( 0.319 10.073 -2.562) 10.398 6.392 ( 0.308 1.512 -2.078) 2.588 6.683 ( 3.987 4.916 -14.234) 15.578 7.014 ( -1.861 -7.288 9.696) 12.271 7.274 ( -5.996 8.845 -0.745) 10.712 7.481 ( 0.615 3.761 8.474) 9.292 8.300 ( 4.141 -13.833 -1.653) 14.534 8.603 ( 2.247 -2.146 -1.177) 3.323 8.726 ( -3.199 0.469 1.449) 3.543 8.929 ( -7.225 5.497 -1.293) 9.170 9.264 ( 2.017 -0.700 -0.554) 2.206 9.556 ( 5.625 4.650 -2.278) 7.645 9.737 ( -2.315 -4.753 2.220) 5.734 11.335 ( 2.800 9.085 -1.248) 9.588 11.473 ( -2.044 0.639 -0.043) 2.142 11.521 ( -4.704 2.996 3.479) 6.573 11.941 ( 0.845 -0.294 2.192) 2.368 12.063 ( -0.758 -1.384 2.290) 2.781 12.491 ( 3.439 -3.274 -0.114) 4.750 12.738 ( 1.973 3.317 -8.995) 9.788 13.018 ( -1.001 -2.694 -0.012) 2.874 13.657 ( -1.350 5.004 -7.135) 8.818 13.915 ( -2.275 -6.145 7.023) 9.605 14.014 ( 4.824 2.034 1.279) 5.389 14.258 ( -8.358 -7.331 4.817) 12.116 17.876 ( -4.664 7.025 0.790) 8.469 18.751 ( 3.718 0.077 -1.222) 3.914 19.124 ( 17.336 4.062 3.746) 18.195 19.588 ( 3.280 17.160 1.277) 17.518 19.924 ( -9.184 -22.407 -2.002) 24.298 20.423 ( -14.970 -0.664 -0.689) 15.000 21.065 ( 3.566 13.440 -10.333) 17.324 21.526 ( 3.240 -7.077 0.148) 7.785 22.372 ( 7.872 -19.087 -1.663) 20.714 23.679 ( 6.779 2.315 1.283) 7.277 23.767 ( -1.542 1.041 -0.155) 1.867 23.904 ( -7.440 7.273 2.337) 10.663 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -8.563 -3.797 2.121) 9.604 1.945 ( -14.704 15.264 -5.796) 21.972 2.332 ( 0.396 1.610 8.021) 8.191 2.537 ( -1.735 -3.995 -3.704) 5.718 2.972 ( 3.984 -8.511 3.259) 9.946 3.197 ( -2.058 -1.581 -2.950) 3.929 3.361 ( -2.516 2.887 0.393) 3.850 3.556 ( 1.715 -2.232 0.547) 2.867 3.831 ( -5.318 5.867 -1.475) 8.054 3.898 ( -3.598 6.820 0.709) 7.743 4.333 ( -3.701 -3.345 0.458) 5.010 4.431 ( -6.648 0.562 -1.452) 6.828 4.691 ( 8.099 1.298 4.240) 9.234 5.469 ( 9.611 -6.945 0.237) 11.860 5.569 ( 6.952 -5.925 -1.770) 9.304 5.759 ( -0.527 -5.717 -2.237) 6.161 5.860 ( 3.284 0.427 0.659) 3.376 6.137 ( -6.496 6.396 -1.097) 9.182 6.405 ( 1.505 0.924 -1.100) 2.080 6.747 ( 6.267 8.406 -10.972) 15.176 6.983 ( -0.137 -9.166 7.543) 11.871 7.207 ( -8.585 5.450 -0.947) 10.213 7.560 ( -6.928 5.125 10.925) 13.915 8.272 ( 11.624 -13.236 -3.508) 17.961 8.602 ( 1.489 -2.947 -2.216) 3.977 8.722 ( 0.552 1.614 1.605) 2.342 8.911 ( -1.566 9.303 -2.025) 9.649 9.259 ( -0.279 -0.848 -1.021) 1.357 9.574 ( -8.561 2.266 -1.209) 8.938 9.735 ( 7.186 -4.979 2.377) 9.059 11.374 ( -5.826 0.854 2.473) 6.387 11.463 ( -0.602 1.513 -1.305) 2.086 11.521 ( -1.660 6.330 3.389) 7.370 11.925 ( -2.401 -3.304 0.554) 4.122 12.010 ( -3.341 -0.627 -2.104) 3.998 12.558 ( 6.329 -2.571 5.425) 8.724 12.788 ( 6.147 2.642 -5.569) 8.705 13.066 ( 3.733 3.203 4.492) 6.662 13.606 ( -2.999 4.924 -10.266) 11.774 13.869 ( -0.312 -5.658 3.126) 6.471 13.991 ( -7.140 -4.573 0.372) 8.487 14.230 ( 6.217 1.396 1.084) 6.464 17.886 ( -3.567 7.205 1.624) 8.202 18.755 ( -1.135 -2.096 -0.880) 2.541 19.042 ( -15.861 -15.401 -2.858) 22.292 19.566 ( -17.288 5.112 -0.565) 18.037 19.995 ( 25.281 -2.688 3.389) 25.648 20.446 ( 9.151 13.276 1.169) 16.167 21.232 ( 4.393 12.498 4.116) 13.872 21.535 ( 4.472 -5.012 0.829) 6.768 22.321 ( 10.649 -17.391 -6.785) 21.492 23.670 ( -8.551 -1.066 -1.363) 8.724 23.773 ( 1.168 1.281 0.737) 1.884 23.879 ( -4.777 4.597 2.061) 6.942 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -19.563 -4.225 -1.383) 20.061 1.668 ( -25.654 6.829 -5.804) 27.174 2.350 ( -11.127 -11.662 2.882) 16.374 2.486 ( 3.135 2.897 7.566) 8.687 2.785 ( -5.738 -2.753 -11.592) 13.224 3.242 ( -4.841 1.868 9.235) 10.593 3.364 ( 7.458 1.580 -3.362) 8.332 3.626 ( 7.005 -1.095 -0.243) 7.094 3.802 ( -1.316 2.038 -1.356) 2.780 3.909 ( -4.119 6.941 1.323) 8.179 4.099 ( -9.125 -7.265 -3.448) 12.163 4.423 ( -1.460 2.746 0.607) 3.168 4.872 ( 8.525 0.526 3.655) 9.290 5.537 ( -2.416 -3.739 -2.749) 5.233 5.634 ( 9.160 -3.889 -0.629) 9.971 5.725 ( 8.615 -2.168 -0.406) 8.893 5.958 ( 2.224 3.605 2.268) 4.805 6.046 ( -5.906 0.421 -0.362) 5.932 6.452 ( 2.072 1.878 2.154) 3.530 6.826 ( -2.160 5.714 -2.610) 6.643 6.963 ( 5.019 -3.128 -3.481) 6.862 7.090 ( -6.387 -3.042 1.574) 7.247 7.499 ( -11.023 3.009 4.909) 12.436 8.366 ( 10.385 -5.852 -1.024) 11.964 8.601 ( 4.627 -1.447 -1.567) 5.095 8.800 ( 4.599 2.238 1.204) 5.255 9.011 ( 4.626 6.580 -1.272) 8.143 9.242 ( 0.016 -1.493 0.121) 1.498 9.327 ( -17.755 -1.757 -1.373) 17.895 9.858 ( 7.217 -0.704 1.242) 7.357 11.279 ( -8.973 1.756 3.126) 9.663 11.373 ( -6.274 -2.804 -1.257) 6.986 11.626 ( 1.778 4.760 4.213) 6.600 11.837 ( -0.180 -3.940 -4.727) 6.157 11.929 ( -3.832 0.261 -1.538) 4.138 12.741 ( 8.570 0.046 11.107) 14.029 12.885 ( 5.614 0.678 -1.214) 5.784 13.237 ( 6.030 2.987 7.211) 9.863 13.488 ( -4.543 4.330 -15.595) 16.810 13.836 ( -5.344 -2.734 -0.079) 6.003 13.842 ( 1.586 -3.889 -1.282) 4.391 14.371 ( 7.059 1.510 -0.102) 7.220 17.912 ( -2.649 5.615 1.581) 6.407 18.564 ( -18.994 -11.139 -1.790) 22.092 18.654 ( -7.931 -2.203 -0.495) 8.246 19.299 ( -12.932 0.365 -0.838) 12.964 20.451 ( 24.740 -0.035 0.885) 24.756 20.795 ( 13.739 9.547 0.364) 16.734 21.512 ( 8.188 2.911 7.748) 11.643 21.642 ( 4.910 9.674 15.346) 18.793 22.275 ( 12.602 -15.597 -16.407) 25.909 23.456 ( -11.453 -3.536 -2.481) 12.240 23.762 ( -3.465 0.552 -0.212) 3.515 23.842 ( -6.326 3.211 2.191) 7.425 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -25.854 -0.000 0.000) 25.854 1.164 ( -32.069 -0.000 0.000) 32.069 1.803 ( -41.679 -0.000 0.000) 41.679 2.638 ( 5.930 0.000 -0.000) 5.930 2.727 ( 3.793 0.000 -0.000) 3.793 3.207 ( -2.692 -0.000 0.000) 2.692 3.524 ( 8.506 0.000 -0.000) 8.506 3.735 ( 5.938 0.000 -0.000) 5.938 3.804 ( 0.758 0.000 -0.000) 0.758 3.893 ( -4.305 -0.000 0.000) 4.305 3.929 ( -2.449 -0.000 0.000) 2.449 4.424 ( 0.898 0.000 -0.000) 0.898 5.038 ( 8.352 0.000 -0.000) 8.352 5.365 ( -10.223 -0.000 0.000) 10.223 5.764 ( 0.557 0.000 -0.000) 0.557 5.879 ( 8.640 0.000 -0.000) 8.640 5.937 ( 1.431 0.000 -0.000) 1.431 6.069 ( 3.941 0.000 -0.000) 3.941 6.536 ( 3.405 0.000 -0.000) 3.405 6.765 ( -2.996 -0.000 0.000) 2.996 6.926 ( -7.613 -0.000 0.000) 7.613 7.071 ( 5.892 0.000 -0.000) 5.892 7.356 ( -8.454 -0.000 0.000) 8.454 8.443 ( 2.757 0.000 -0.000) 2.757 8.728 ( 9.355 0.000 -0.000) 9.355 8.886 ( -4.406 -0.000 0.000) 4.406 8.988 ( -9.911 -0.000 0.000) 9.911 9.157 ( 8.017 0.000 -0.000) 8.017 9.234 ( -0.553 -0.000 0.000) 0.553 9.965 ( 4.980 0.000 -0.000) 4.980 11.143 ( -9.156 -0.000 0.000) 9.156 11.212 ( -9.221 -0.000 0.000) 9.221 11.695 ( 0.760 0.000 -0.000) 0.760 11.814 ( 2.779 0.000 -0.000) 2.779 11.880 ( -1.286 -0.000 0.000) 1.286 12.962 ( 6.926 0.000 -0.000) 6.926 12.972 ( 5.158 0.000 -0.000) 5.158 13.293 ( -6.919 -0.000 0.000) 6.919 13.429 ( 7.406 0.000 -0.000) 7.406 13.755 ( -2.821 -0.000 0.000) 2.821 13.840 ( 1.669 0.000 -0.000) 1.669 14.486 ( 5.383 0.000 -0.000) 5.383 17.912 ( -1.787 -0.000 0.000) 1.787 18.194 ( -16.094 -0.000 0.000) 16.094 18.469 ( -10.558 -0.000 0.000) 10.558 19.154 ( -4.342 -0.000 0.000) 4.342 20.807 ( 15.565 0.000 -0.000) 15.565 21.070 ( 12.938 0.000 -0.000) 12.938 21.643 ( 6.027 0.000 -0.000) 6.027 22.137 ( 10.732 0.000 -0.000) 10.732 22.166 ( 12.631 0.000 -0.000) 12.631 23.206 ( -12.393 -0.000 0.000) 12.393 23.679 ( -5.784 -0.000 0.000) 5.784 23.748 ( -8.050 -0.000 0.000) 8.050 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 10.155 0.709) 10.180 1.387 ( -0.000 13.303 14.984) 20.037 2.268 ( 0.000 30.775 5.241) 31.218 2.674 ( -0.000 0.800 7.217) 7.261 2.787 ( 0.000 6.082 -2.065) 6.423 3.025 ( 0.000 5.887 -4.912) 7.667 3.636 ( -0.000 -5.078 3.342) 6.079 3.709 ( 0.000 1.443 -4.342) 4.576 3.721 ( -0.000 -4.618 4.329) 6.330 3.977 ( -0.000 4.069 5.114) 6.535 4.075 ( -0.000 -1.569 6.854) 7.031 4.649 ( -0.000 0.252 9.077) 9.081 4.954 ( -0.000 -4.332 -3.143) 5.352 5.273 ( 0.000 5.175 -2.344) 5.681 5.587 ( 0.000 -10.937 -9.606) 14.557 5.672 ( 0.000 -2.414 -9.934) 10.223 5.878 ( 0.000 2.917 -5.041) 5.824 6.048 ( -0.000 -4.086 2.665) 4.879 6.375 ( 0.000 6.583 -3.276) 7.353 6.715 ( 0.000 -5.213 -4.749) 7.051 6.998 ( -0.000 -10.536 3.188) 11.007 7.146 ( 0.000 2.333 1.500) 2.773 7.429 ( 0.000 8.954 0.528) 8.969 8.435 ( 0.000 1.245 -1.307) 1.805 8.756 ( 0.000 4.189 -1.157) 4.346 8.863 ( -0.000 -8.823 1.918) 9.029 9.033 ( 0.000 7.750 3.367) 8.449 9.047 ( 0.000 -3.582 -4.160) 5.490 9.299 ( -0.000 -5.901 2.654) 6.470 10.067 ( -0.000 -3.798 3.514) 5.174 11.155 ( 0.000 12.713 -6.035) 14.073 11.362 ( 0.000 9.582 4.207) 10.465 11.613 ( -0.000 1.208 1.610) 2.013 11.848 ( 0.000 4.414 -5.046) 6.704 11.951 ( -0.000 -6.349 8.160) 10.339 12.414 ( 0.000 6.057 -7.811) 9.884 12.922 ( 0.000 -0.176 -2.540) 2.546 13.183 ( -0.000 -13.499 -7.907) 15.645 13.695 ( 0.000 3.535 -7.318) 8.127 13.801 ( 0.000 2.548 2.109) 3.308 14.109 ( -0.000 -12.263 12.973) 17.852 14.611 ( -0.000 -12.217 14.981) 19.331 17.965 ( -0.000 1.274 2.967) 3.229 18.412 ( 0.000 22.433 3.279) 22.671 18.487 ( 0.000 8.070 -1.540) 8.216 19.117 ( 0.000 5.076 -0.946) 5.164 20.733 ( 0.000 25.073 -29.825) 38.964 20.751 ( -0.000 -14.501 -0.170) 14.502 21.060 ( -0.000 -17.363 -12.459) 21.370 21.703 ( -0.000 -2.279 1.527) 2.743 22.356 ( -0.000 -28.290 5.535) 28.826 23.168 ( 0.000 7.974 1.970) 8.213 23.665 ( 0.000 4.710 -0.132) 4.712 24.149 ( 0.000 8.099 4.067) 9.062 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 26.653 2.590 -0.165) 26.779 1.610 ( 3.560 9.277 7.181) 12.260 2.386 ( -6.757 5.262 -0.084) 8.564 2.642 ( -12.798 14.744 5.360) 20.246 3.031 ( 4.352 13.721 -4.801) 15.174 3.084 ( 6.231 0.863 6.838) 9.291 3.524 ( -8.294 -1.519 1.774) 8.617 3.624 ( -1.432 -5.755 4.795) 7.627 3.849 ( 4.620 3.081 0.227) 5.558 4.063 ( -2.220 8.867 2.757) 9.547 4.138 ( 5.624 -1.303 7.252) 9.270 4.671 ( -6.759 3.144 6.662) 9.998 4.780 ( -8.274 -5.120 -3.884) 10.477 5.380 ( 4.395 -6.121 -8.099) 11.062 5.411 ( 3.310 -3.804 -3.662) 6.232 5.590 ( 5.271 -8.097 -8.361) 12.777 5.875 ( -3.512 -1.165 0.364) 3.718 6.029 ( 1.699 6.381 -1.413) 6.753 6.412 ( -0.146 0.875 -0.061) 0.889 6.607 ( 0.897 -6.576 -6.729) 9.452 6.997 ( 7.440 -4.971 0.184) 8.950 7.194 ( 2.102 0.859 2.147) 3.125 7.514 ( -2.204 10.515 -0.096) 10.744 8.402 ( -4.567 1.238 -0.723) 4.787 8.663 ( -6.473 -7.210 4.407) 10.644 8.844 ( -1.488 -4.209 3.722) 5.813 9.005 ( 4.572 1.689 -4.680) 6.757 9.156 ( 0.381 2.579 -3.316) 4.218 9.303 ( 6.067 -0.286 1.704) 6.309 9.974 ( -8.520 -2.398 2.363) 9.161 11.269 ( 2.232 15.081 -5.161) 16.095 11.469 ( -0.409 4.976 4.362) 6.630 11.659 ( -0.901 3.157 3.348) 4.689 11.889 ( 2.095 4.740 -2.028) 5.565 11.968 ( 3.068 -5.533 5.965) 8.695 12.400 ( 0.856 -0.807 -4.664) 4.810 12.844 ( -6.238 -0.751 -5.910) 8.625 13.029 ( 2.534 -8.226 -3.732) 9.382 13.640 ( 0.228 -2.357 -8.117) 8.455 13.857 ( 2.428 2.053 1.954) 3.732 14.079 ( -3.625 -2.998 7.538) 8.886 14.548 ( -5.870 -11.413 12.589) 17.978 18.011 ( -0.165 3.203 2.094) 3.830 18.568 ( 3.575 6.893 -2.407) 8.129 18.671 ( 2.246 18.202 4.806) 18.959 19.292 ( 10.076 12.658 0.638) 16.191 20.418 ( -14.815 -21.415 -2.222) 26.135 20.730 ( 1.795 -6.337 -7.642) 10.089 20.948 ( 6.123 12.049 -22.229) 26.015 21.594 ( -9.077 -3.114 1.297) 9.684 22.152 ( 4.121 -27.640 4.375) 28.286 23.349 ( 9.186 6.551 1.548) 11.388 23.724 ( 1.689 3.896 -0.208) 4.251 24.192 ( -6.082 6.975 2.860) 9.686 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 2.114 0.678 3.442) 4.096 2.050 ( 30.473 2.427 -1.704) 30.617 2.282 ( -7.600 2.706 0.778) 8.105 2.613 ( -13.469 16.931 2.973) 21.838 3.018 ( -7.320 -1.232 2.227) 7.749 3.235 ( 2.634 -1.141 0.976) 3.032 3.410 ( -5.020 0.297 -0.162) 5.031 3.617 ( -0.858 -1.755 6.218) 6.518 3.928 ( -0.369 4.584 -0.354) 4.613 4.117 ( -4.033 10.728 2.679) 11.770 4.311 ( 6.085 1.453 1.854) 6.525 4.552 ( -6.496 -0.439 0.511) 6.530 4.644 ( -4.681 -0.878 1.348) 4.950 5.264 ( 2.238 -5.942 -6.890) 9.369 5.388 ( 3.486 -11.399 -3.627) 12.459 5.635 ( 7.777 -4.409 0.140) 8.941 5.786 ( -0.977 -4.890 0.098) 4.988 6.177 ( 3.789 12.247 -3.527) 13.296 6.383 ( -0.194 -1.541 -1.922) 2.471 6.537 ( 2.671 -4.740 -5.406) 7.670 7.086 ( -0.546 3.080 2.249) 3.853 7.321 ( 13.488 -1.773 2.129) 13.770 7.540 ( -5.541 7.310 0.843) 9.211 8.270 ( -9.739 -3.261 0.669) 10.292 8.560 ( -0.790 -5.364 2.595) 6.011 8.787 ( -3.687 -1.947 3.222) 5.269 9.039 ( -2.413 3.188 -4.026) 5.674 9.183 ( 6.404 1.274 -1.405) 6.679 9.418 ( 6.256 -1.973 -3.359) 7.370 9.831 ( -7.140 -0.378 2.884) 7.710 11.415 ( 0.456 12.611 -1.411) 12.698 11.507 ( -1.238 1.385 1.317) 2.277 11.680 ( -4.286 5.244 3.532) 7.639 11.945 ( 0.830 0.511 3.680) 3.807 12.037 ( 3.866 -1.289 1.381) 4.303 12.384 ( 3.582 -5.679 0.514) 6.734 12.661 ( -2.023 -2.729 -12.486) 12.940 13.037 ( 0.455 2.916 3.048) 4.243 13.555 ( 2.595 -6.019 -8.649) 10.852 13.954 ( 4.671 1.942 1.589) 5.302 14.038 ( -5.592 1.923 3.569) 6.907 14.384 ( -9.966 -9.728 8.406) 16.267 18.041 ( -3.321 6.371 1.356) 7.312 18.662 ( 4.827 0.690 -2.475) 5.469 18.980 ( 10.824 13.414 5.207) 18.006 19.667 ( 11.214 20.295 1.768) 23.254 19.897 ( -16.101 -23.085 -2.309) 28.240 20.546 ( -6.198 -13.761 -2.217) 15.254 21.077 ( 5.343 21.185 -15.918) 27.033 21.433 ( -3.668 -5.704 0.679) 6.816 22.009 ( 6.563 -25.522 2.416) 26.463 23.578 ( 9.360 3.682 1.178) 10.127 23.783 ( 1.203 2.449 -0.209) 2.736 24.137 ( -9.046 5.094 1.918) 10.557 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -1.336 -2.026 1.127) 2.676 2.237 ( -4.016 8.018 0.156) 8.969 2.463 ( 10.226 1.619 -3.910) 11.067 2.513 ( -11.164 4.282 1.701) 12.077 2.911 ( -3.929 -0.240 10.821) 11.514 3.166 ( -4.554 -6.727 -6.045) 10.126 3.365 ( 1.497 1.054 -1.225) 2.202 3.604 ( -4.078 -0.314 2.642) 4.869 3.909 ( -3.664 1.460 -1.582) 4.250 4.130 ( -8.631 9.706 1.191) 13.043 4.383 ( -0.672 -0.850 2.665) 2.877 4.515 ( -0.963 0.410 -0.632) 1.223 4.587 ( 1.258 -1.768 0.354) 2.198 5.274 ( 6.960 0.374 -3.065) 7.614 5.356 ( 7.354 -9.504 0.523) 12.028 5.661 ( 1.942 -5.896 -0.744) 6.252 5.797 ( 4.671 -0.787 0.041) 4.737 6.285 ( -1.230 8.638 -2.372) 9.042 6.368 ( -0.027 -1.875 -0.296) 1.898 6.558 ( 9.430 -0.748 -4.828) 10.620 7.056 ( -5.913 0.256 2.161) 6.300 7.442 ( -10.279 6.976 -0.957) 12.460 7.654 ( 16.060 -0.465 8.171) 18.025 8.048 ( -8.703 -6.303 -2.790) 11.102 8.540 ( 0.955 -2.363 -0.237) 2.559 8.744 ( -1.738 -0.626 1.952) 2.688 8.994 ( -2.369 3.399 -2.863) 5.036 9.269 ( -0.671 2.169 -0.488) 2.322 9.488 ( 11.923 -4.007 -2.015) 12.739 9.753 ( -6.393 0.228 1.974) 6.695 11.470 ( -3.000 0.913 2.418) 3.960 11.497 ( -1.847 3.874 -1.972) 4.723 11.678 ( -4.380 5.960 2.303) 7.747 11.971 ( -3.519 -0.285 2.619) 4.396 12.033 ( -1.863 -2.613 -0.119) 3.211 12.424 ( 7.407 -5.198 2.607) 9.417 12.618 ( 7.144 1.656 -8.852) 11.495 13.133 ( 0.749 6.640 6.289) 9.176 13.487 ( 4.616 -6.165 -9.076) 11.903 13.976 ( -6.813 3.591 1.799) 7.909 14.049 ( -0.058 -1.113 1.022) 1.512 14.188 ( -4.598 -5.047 3.084) 7.491 18.046 ( -4.458 6.020 1.175) 7.583 18.710 ( 2.780 -1.299 -1.202) 3.296 19.183 ( -12.169 -0.357 -0.394) 12.180 19.595 ( 15.240 -8.764 1.432) 17.639 19.926 ( -11.787 11.815 0.975) 16.717 20.368 ( 7.206 -3.485 -0.491) 8.019 21.278 ( 4.011 12.190 -2.454) 13.066 21.419 ( 7.289 2.852 -1.453) 7.961 21.903 ( 8.079 -22.555 -1.069) 23.982 23.738 ( 5.292 1.207 0.861) 5.495 23.785 ( -3.764 0.992 -0.477) 3.922 24.032 ( -8.033 2.680 1.011) 8.528 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -10.508 -0.000 0.000) 10.508 2.132 ( -23.830 -0.000 0.000) 23.830 2.323 ( 3.371 0.000 -0.000) 3.371 2.537 ( -2.461 -0.000 0.000) 2.461 2.883 ( -10.468 -0.000 0.000) 10.468 3.140 ( 12.550 0.000 -0.000) 12.550 3.403 ( -1.433 -0.000 0.000) 1.433 3.541 ( -0.706 -0.000 0.000) 0.706 3.844 ( -3.307 -0.000 0.000) 3.307 4.065 ( -5.712 -0.000 0.000) 5.712 4.223 ( -12.548 -0.000 0.000) 12.548 4.494 ( -3.615 -0.000 0.000) 3.615 4.710 ( 11.147 0.000 -0.000) 11.147 5.421 ( 10.049 0.000 -0.000) 10.049 5.466 ( 9.462 0.000 -0.000) 9.462 5.632 ( -0.273 -0.000 0.000) 0.273 5.886 ( 5.734 0.000 -0.000) 5.734 6.212 ( -9.382 -0.000 0.000) 9.382 6.402 ( 4.194 0.000 -0.000) 4.194 6.740 ( 12.442 0.000 -0.000) 12.442 6.950 ( -6.621 -0.000 0.000) 6.621 7.272 ( -12.003 -0.000 0.000) 12.003 7.759 ( -13.888 -0.000 0.000) 13.888 8.051 ( 19.585 0.000 -0.000) 19.585 8.540 ( 1.156 0.000 -0.000) 1.156 8.753 ( 2.082 0.000 -0.000) 2.082 8.991 ( 1.017 0.000 -0.000) 1.017 9.245 ( -1.325 -0.000 0.000) 1.325 9.594 ( -13.274 -0.000 0.000) 13.274 9.687 ( 12.099 0.000 -0.000) 12.099 11.424 ( -3.783 -0.000 0.000) 3.783 11.447 ( -5.415 -0.000 0.000) 5.415 11.686 ( -0.926 -0.000 0.000) 0.926 11.835 ( -6.911 -0.000 0.000) 6.911 11.993 ( -3.152 -0.000 0.000) 3.152 12.590 ( 12.054 0.000 -0.000) 12.054 12.735 ( 8.349 0.000 -0.000) 8.349 13.242 ( 2.950 0.000 -0.000) 2.950 13.468 ( 1.247 0.000 -0.000) 1.247 13.887 ( -8.238 -0.000 0.000) 8.238 13.912 ( -5.760 -0.000 0.000) 5.760 14.254 ( 7.214 0.000 -0.000) 7.214 18.012 ( -4.016 -0.000 0.000) 4.016 18.713 ( -1.318 -0.000 0.000) 1.318 18.829 ( -19.739 -0.000 0.000) 19.739 19.617 ( -22.208 -0.000 0.000) 22.208 19.997 ( 27.371 0.000 -0.000) 27.371 20.608 ( 14.545 0.000 -0.000) 14.545 21.393 ( 6.910 0.000 -0.000) 6.910 21.712 ( 13.512 0.000 -0.000) 13.512 21.844 ( 6.537 0.000 -0.000) 6.537 23.648 ( -11.558 -0.000 0.000) 11.558 23.794 ( 0.363 0.000 -0.000) 0.363 23.950 ( -4.365 -0.000 0.000) 4.365 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 1.521 -2.288) 2.747 1.712 ( 0.000 5.680 3.422) 6.631 2.482 ( -0.000 -0.430 3.609) 3.635 2.951 ( 0.000 10.661 -3.321) 11.166 3.061 ( 0.000 1.024 -0.724) 1.254 3.112 ( 0.000 15.716 7.569) 17.443 3.569 ( -0.000 -5.014 3.786) 6.283 3.709 ( 0.000 3.174 -1.896) 3.697 3.816 ( -0.000 2.969 9.070) 9.544 4.115 ( -0.000 -3.184 5.534) 6.385 4.196 ( 0.000 11.207 3.101) 11.628 4.763 ( -0.000 -2.830 4.092) 4.975 4.813 ( -0.000 -6.544 -2.272) 6.927 5.282 ( 0.000 2.643 -6.509) 7.025 5.336 ( 0.000 1.243 -5.037) 5.188 5.348 ( 0.000 -9.696 -10.152) 14.038 5.990 ( -0.000 -6.690 3.159) 7.398 5.997 ( 0.000 10.513 -0.391) 10.520 6.418 ( -0.000 -2.302 3.048) 3.820 6.464 ( -0.000 -10.067 -4.552) 11.048 6.807 ( 0.000 -5.890 -5.783) 8.254 7.221 ( 0.000 2.977 -0.057) 2.977 7.644 ( 0.000 10.556 0.347) 10.561 8.462 ( 0.000 2.786 -0.968) 2.950 8.668 ( -0.000 -12.519 2.509) 12.768 8.853 ( -0.000 1.479 6.935) 7.091 8.989 ( 0.000 2.417 -1.789) 3.007 9.157 ( 0.000 5.518 -5.759) 7.976 9.211 ( -0.000 -5.822 0.547) 5.847 10.055 ( -0.000 -1.606 1.866) 2.462 11.345 ( 0.000 15.103 -5.501) 16.074 11.568 ( -0.000 3.810 4.039) 5.553 11.714 ( -0.000 1.100 4.311) 4.449 11.910 ( 0.000 9.223 -3.799) 9.975 11.959 ( -0.000 -3.172 9.318) 9.843 12.334 ( -0.000 -4.976 -3.473) 6.068 12.745 ( -0.000 -15.838 -10.047) 18.756 12.998 ( 0.000 7.768 1.847) 7.984 13.527 ( 0.000 -7.807 -6.851) 10.386 13.867 ( -0.000 1.625 1.511) 2.219 14.143 ( -0.000 1.748 2.178) 2.793 14.585 ( -0.000 -10.225 11.252) 15.204 18.035 ( -0.000 0.994 2.738) 2.913 18.557 ( 0.000 2.660 -2.895) 3.931 18.967 ( 0.000 26.347 4.160) 26.673 19.302 ( 0.000 12.445 0.959) 12.482 20.425 ( -0.000 -16.516 -0.539) 16.525 20.444 ( -0.000 -26.185 -2.070) 26.267 20.864 ( 0.000 22.454 -23.905) 32.797 21.690 ( -0.000 -1.076 1.008) 1.475 21.886 ( -0.000 -25.248 5.798) 25.905 23.339 ( 0.000 5.831 1.020) 5.919 23.744 ( 0.000 3.079 -0.067) 3.079 24.315 ( 0.000 4.482 1.472) 4.718 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 25.915 -0.293 -0.751) 25.927 1.771 ( 1.927 2.528 0.395) 3.203 2.436 ( -6.736 -0.042 2.744) 7.273 2.950 ( -8.020 10.263 -3.366) 13.452 3.069 ( 1.569 -2.961 2.090) 3.949 3.263 ( -1.746 4.998 2.521) 5.864 3.512 ( -5.630 -1.257 0.842) 5.830 3.676 ( -2.642 0.378 4.572) 5.294 3.981 ( 2.746 6.582 3.797) 8.079 4.132 ( 3.211 -3.538 0.097) 4.779 4.358 ( 0.988 12.529 3.112) 12.948 4.602 ( -6.511 -8.278 -1.768) 10.679 4.773 ( -3.315 -1.672 2.122) 4.277 5.118 ( -1.228 -4.974 -6.677) 8.416 5.290 ( -1.553 2.275 -5.595) 6.237 5.445 ( 9.556 -2.416 0.286) 9.860 5.821 ( -7.891 -4.922 1.653) 9.446 6.187 ( 5.579 9.632 -1.997) 11.309 6.338 ( -0.508 -4.349 -2.019) 4.822 6.432 ( 1.789 -6.250 2.291) 6.893 6.895 ( 18.370 -1.605 -3.214) 18.718 7.226 ( -1.788 0.542 0.251) 1.885 7.705 ( -3.552 6.585 0.114) 7.483 8.437 ( -6.838 3.468 -1.468) 7.806 8.541 ( -2.145 -8.985 3.517) 9.884 8.888 ( -5.511 -0.854 6.766) 8.768 9.005 ( 3.839 3.436 -4.135) 6.606 9.125 ( -0.109 0.191 -2.146) 2.157 9.269 ( 7.203 -1.773 -2.173) 7.730 9.978 ( -7.603 -0.432 1.217) 7.712 11.486 ( 3.265 10.903 -2.918) 11.750 11.576 ( -3.295 0.497 2.300) 4.049 11.761 ( 1.954 -0.213 1.981) 2.790 11.975 ( -0.730 0.532 2.416) 2.580 12.034 ( 0.040 9.600 3.886) 10.356 12.268 ( 2.131 -8.243 0.178) 8.516 12.528 ( 0.525 -9.641 -10.004) 13.903 13.112 ( 0.751 8.816 4.030) 9.723 13.390 ( 0.257 -9.681 -6.359) 11.586 13.912 ( 2.689 1.029 0.850) 3.002 14.148 ( -2.770 2.393 0.094) 3.662 14.512 ( -6.773 -6.179 6.293) 11.120 18.088 ( 2.400 1.305 1.437) 3.086 18.582 ( 3.044 0.695 -1.903) 3.656 19.130 ( -5.096 16.874 3.338) 17.940 19.627 ( 15.645 15.777 1.613) 22.278 19.967 ( -16.711 -18.030 -1.788) 24.648 20.375 ( 4.004 -15.670 -1.805) 16.274 20.995 ( 9.333 14.131 -12.795) 21.225 21.575 ( -10.945 -0.315 0.805) 10.979 21.741 ( 2.081 -17.494 4.092) 18.087 23.464 ( 7.768 2.736 0.581) 8.256 23.779 ( 1.248 1.576 -0.060) 2.011 24.310 ( -5.303 2.376 0.762) 5.861 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.055 0.000 -0.000) 2.055 2.062 ( 28.660 0.000 -0.000) 28.660 2.335 ( -5.447 -0.000 0.000) 5.447 2.797 ( -14.157 -0.000 0.000) 14.157 3.095 ( 0.267 0.000 -0.000) 0.267 3.188 ( -9.692 -0.000 0.000) 9.692 3.396 ( -5.703 -0.000 0.000) 5.703 3.666 ( -1.858 -0.000 0.000) 1.858 3.982 ( -4.719 -0.000 0.000) 4.719 4.263 ( 11.326 0.000 -0.000) 11.326 4.360 ( -10.280 -0.000 0.000) 10.280 4.509 ( 0.604 0.000 -0.000) 0.604 4.665 ( -7.373 -0.000 0.000) 7.373 5.139 ( 8.063 0.000 -0.000) 8.063 5.244 ( -0.926 -0.000 0.000) 0.926 5.571 ( 6.009 0.000 -0.000) 6.009 5.730 ( 0.271 0.000 -0.000) 0.271 6.281 ( 2.124 0.000 -0.000) 2.124 6.381 ( 6.950 0.000 -0.000) 6.950 6.405 ( -1.287 -0.000 0.000) 1.287 7.167 ( -4.951 -0.000 0.000) 4.951 7.273 ( 24.662 0.000 -0.000) 24.662 7.641 ( -7.871 -0.000 0.000) 7.871 8.250 ( -13.919 -0.000 0.000) 13.919 8.515 ( 0.723 0.000 -0.000) 0.723 8.807 ( -4.914 -0.000 0.000) 4.914 9.028 ( -1.229 -0.000 0.000) 1.229 9.227 ( 11.310 0.000 -0.000) 11.310 9.312 ( 0.273 0.000 -0.000) 0.273 9.860 ( -5.930 -0.000 0.000) 5.930 11.530 ( -2.956 -0.000 0.000) 2.956 11.554 ( -1.116 -0.000 0.000) 1.116 11.776 ( -2.288 -0.000 0.000) 2.288 11.979 ( 1.919 0.000 -0.000) 1.919 12.097 ( -3.986 -0.000 0.000) 3.986 12.276 ( 6.217 0.000 -0.000) 6.217 12.486 ( 4.259 0.000 -0.000) 4.259 13.233 ( -1.747 -0.000 0.000) 1.747 13.292 ( 5.451 0.000 -0.000) 5.451 13.987 ( 4.781 0.000 -0.000) 4.781 14.099 ( -4.527 -0.000 0.000) 4.527 14.341 ( -11.517 -0.000 0.000) 11.517 18.127 ( -0.532 -0.000 0.000) 0.532 18.639 ( 3.879 0.000 -0.000) 3.879 19.271 ( 9.818 0.000 -0.000) 9.818 19.525 ( -20.046 -0.000 0.000) 20.046 20.047 ( 18.065 0.000 -0.000) 18.065 20.239 ( -7.926 -0.000 0.000) 7.926 21.229 ( 13.403 0.000 -0.000) 13.403 21.389 ( -8.798 -0.000 0.000) 8.798 21.693 ( 2.560 0.000 -0.000) 2.560 23.627 ( 8.555 0.000 -0.000) 8.555 23.807 ( 0.771 0.000 -0.000) 0.771 24.201 ( -8.795 -0.000 0.000) 8.795 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 -0.000) 0.000 3.027 ( -0.000 -0.000 0.000) 0.000 3.058 ( 0.000 0.000 -0.000) 0.000 3.322 ( -0.000 -0.000 0.000) 0.000 3.556 ( -0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 -0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.443 ( -0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.690 ( -0.000 0.000 0.000) 0.000 5.143 ( -0.000 0.000 0.000) 0.000 5.319 ( -0.000 -0.000 0.000) 0.000 5.323 ( 0.000 0.000 -0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.154 ( -0.000 -0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 -0.000) 0.000 6.674 ( -0.000 0.000 0.000) 0.000 7.250 ( -0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 -0.000) 0.000 8.534 ( -0.000 -0.000 0.000) 0.000 8.958 ( -0.000 0.000 0.000) 0.000 9.039 ( -0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 10.055 ( -0.000 0.000 0.000) 0.000 11.497 ( -0.000 -0.000 0.000) 0.000 11.630 ( -0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.199 ( -0.000 -0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 13.208 ( -0.000 -0.000 -0.000) 0.000 13.279 ( -0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 14.183 ( 0.000 0.000 0.000) 0.000 14.566 ( -0.000 0.000 0.000) 0.000 18.069 ( -0.000 0.000 0.000) 0.000 18.551 ( -0.000 0.000 0.000) 0.000 19.387 ( 0.000 0.000 0.000) 0.000 19.488 ( -0.000 -0.000 0.000) 0.000 20.044 ( -0.000 -0.000 0.000) 0.000 20.207 ( 0.000 0.000 0.000) 0.000 20.926 ( -0.000 0.000 0.000) 0.000 21.652 ( -0.000 0.000 0.000) 0.000 21.688 ( 0.000 0.000 0.000) 0.000 23.407 ( 0.000 0.000 0.000) 0.000 23.775 ( 0.000 0.000 0.000) 0.000 24.371 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -0.000 0.000 23.672) 23.672 0.571 ( -0.000 0.000 23.672) 23.672 1.005 ( -0.000 0.000 41.819) 41.819 2.765 ( -0.000 0.000 0.627) 0.627 2.765 ( -0.000 0.000 0.627) 0.627 2.903 ( 0.000 -0.000 -22.307) 22.307 3.670 ( -0.000 0.000 0.028) 0.028 3.670 ( 0.000 -0.000 0.028) 0.028 3.874 ( -0.000 0.000 3.976) 3.976 3.874 ( -0.000 0.000 3.976) 3.976 4.165 ( -0.000 0.000 5.166) 5.166 4.749 ( -0.000 0.000 14.941) 14.941 5.045 ( 0.000 -0.000 -2.552) 2.552 5.045 ( 0.000 -0.000 -2.552) 2.552 5.481 ( 0.000 -0.000 -1.460) 1.460 5.975 ( 0.000 -0.000 -6.840) 6.840 5.975 ( 0.000 -0.000 -6.840) 6.840 6.098 ( 0.000 -0.000 -1.153) 1.153 6.098 ( 0.000 -0.000 -1.153) 1.153 6.741 ( 0.000 -0.000 -1.354) 1.354 7.179 ( -0.000 0.000 1.749) 1.749 7.179 ( -0.000 0.000 1.749) 1.749 7.565 ( 0.000 -0.000 -7.015) 7.015 8.417 ( 0.000 -0.000 -4.609) 4.609 8.417 ( 0.000 -0.000 -4.609) 4.609 8.993 ( -0.000 0.000 7.096) 7.096 8.993 ( -0.000 0.000 7.096) 7.096 9.083 ( 0.000 -0.000 -6.105) 6.105 9.561 ( -0.000 0.000 0.476) 0.476 10.461 ( -0.000 0.000 6.260) 6.260 10.905 ( 0.000 -0.000 -5.988) 5.988 10.905 ( 0.000 -0.000 -5.988) 5.988 11.642 ( 0.000 -0.000 -2.016) 2.016 11.642 ( 0.000 -0.000 -2.016) 2.016 12.031 ( -0.000 0.000 9.340) 9.340 12.031 ( -0.000 0.000 9.340) 9.340 13.072 ( 0.000 -0.000 -6.339) 6.339 13.537 ( 0.000 -0.000 -5.072) 5.072 13.537 ( 0.000 -0.000 -5.072) 5.072 13.715 ( -0.000 0.000 3.875) 3.875 14.504 ( 0.000 -0.000 -5.785) 5.785 15.383 ( -0.000 0.000 9.445) 9.445 17.892 ( -0.000 0.000 0.746) 0.746 17.892 ( -0.000 0.000 0.746) 0.746 18.269 ( -0.000 0.000 0.199) 0.199 19.096 ( 0.000 -0.000 -0.756) 0.756 19.096 ( 0.000 -0.000 -0.756) 0.756 21.046 ( -0.000 0.000 0.007) 0.007 21.763 ( -0.000 0.000 1.018) 1.018 21.763 ( -0.000 0.000 1.018) 1.018 22.553 ( -0.000 0.000 1.492) 1.492 23.540 ( 0.000 -0.000 -0.170) 0.170 23.540 ( 0.000 -0.000 -0.170) 0.170 23.778 ( 0.000 -0.000 -3.937) 3.937 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 19.373 11.185 16.891) 28.030 1.106 ( 20.388 11.771 18.115) 29.705 1.471 ( 18.073 10.434 24.477) 32.165 2.617 ( -6.357 -3.670 -4.635) 8.681 2.763 ( 1.512 0.873 -19.294) 19.373 2.926 ( 7.495 4.327 5.043) 10.017 3.593 ( -4.712 -2.720 -0.854) 5.507 3.758 ( 3.156 1.822 -2.478) 4.407 3.860 ( -1.945 -1.123 4.026) 4.610 3.915 ( -1.090 -0.629 5.461) 5.604 4.134 ( -3.915 -2.260 9.818) 10.809 4.688 ( -9.833 -5.677 9.836) 15.022 4.933 ( -4.613 -2.663 -6.191) 8.167 5.284 ( 14.211 8.205 2.080) 16.541 5.580 ( 7.612 4.395 -4.040) 9.673 5.847 ( -4.411 -2.547 -9.071) 10.403 5.931 ( 0.892 0.515 -10.955) 11.003 6.024 ( -4.639 -2.678 0.703) 5.403 6.198 ( 5.894 3.403 -2.041) 7.106 6.690 ( -2.913 -1.682 -3.677) 4.983 7.214 ( 0.826 0.477 4.293) 4.398 7.215 ( 2.020 1.166 3.155) 3.924 7.367 ( -7.940 -4.584 -0.695) 9.195 8.404 ( 1.109 0.640 -5.112) 5.270 8.494 ( 8.150 4.705 -6.575) 11.480 8.959 ( -4.191 -2.420 -0.002) 4.840 9.043 ( 0.822 0.475 7.764) 7.822 9.127 ( 3.396 1.961 -1.126) 4.080 9.455 ( -8.851 -5.110 3.204) 10.710 10.162 ( -14.743 -8.512 4.925) 17.721 10.895 ( 4.408 2.545 -7.067) 8.709 11.161 ( 11.737 6.776 1.815) 13.674 11.637 ( -0.725 -0.418 0.103) 0.843 11.756 ( 7.455 4.304 -8.380) 12.014 12.101 ( -0.894 -0.516 9.573) 9.628 12.176 ( 7.277 4.201 1.173) 8.484 12.944 ( -5.729 -3.307 -6.153) 9.034 13.447 ( -4.781 -2.760 -5.971) 8.132 13.533 ( 3.115 1.798 -6.110) 7.090 13.762 ( 1.522 0.879 4.062) 4.426 14.368 ( -7.683 -4.436 -2.321) 9.171 14.997 ( -24.063 -13.893 26.359) 38.299 17.867 ( -1.473 -0.850 0.290) 1.725 18.066 ( 11.563 6.676 3.180) 13.726 18.342 ( 6.190 3.574 0.103) 7.148 19.132 ( 2.341 1.351 -0.120) 2.705 19.860 ( 45.501 26.270 -36.032) 63.708 20.972 ( -6.634 -3.830 -0.045) 7.661 21.515 ( -19.479 -11.246 0.179) 22.493 21.724 ( -3.097 -1.788 0.879) 3.683 22.678 ( 4.750 2.742 0.251) 5.491 23.407 ( -2.476 -1.429 0.925) 3.004 23.579 ( 3.217 1.857 -0.150) 3.718 23.800 ( 0.075 0.043 2.390) 2.391 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 6.584 3.802 18.890) 20.363 1.569 ( 14.436 8.335 10.165) 19.524 2.108 ( 23.791 13.736 3.366) 27.677 2.453 ( -5.730 -3.308 -0.834) 6.669 2.702 ( 5.955 3.438 -15.155) 16.642 3.152 ( 6.026 3.479 10.567) 12.652 3.462 ( -5.599 -3.233 -0.906) 6.529 3.719 ( -3.187 -1.840 -0.984) 3.810 3.849 ( -1.134 -0.655 0.531) 1.413 3.901 ( -3.869 -2.234 5.483) 7.073 4.216 ( 4.312 2.490 8.874) 10.175 4.525 ( -8.823 -5.094 5.043) 11.367 4.780 ( -4.904 -2.831 -4.320) 7.123 5.610 ( 9.794 5.655 2.629) 11.611 5.696 ( -0.700 -0.404 -7.555) 7.598 5.696 ( 4.558 2.631 -5.674) 7.739 5.865 ( 2.018 1.165 -11.206) 11.446 5.915 ( -5.242 -3.026 1.818) 6.320 6.287 ( 3.187 1.840 -1.826) 4.108 6.583 ( -2.039 -1.177 -8.275) 8.603 7.208 ( -2.924 -1.688 -3.255) 4.690 7.257 ( -1.684 -0.972 8.583) 8.800 7.353 ( 3.515 2.030 8.699) 9.599 8.400 ( 2.467 1.425 -5.450) 6.150 8.577 ( 2.837 1.638 -6.546) 7.321 8.847 ( -5.891 -3.401 1.282) 6.922 9.112 ( -5.604 -3.235 -1.695) 6.689 9.207 ( 8.997 5.194 4.743) 11.420 9.305 ( -3.801 -2.195 3.864) 5.848 9.932 ( -7.815 -4.512 0.347) 9.031 10.990 ( 7.952 4.591 -5.821) 10.872 11.391 ( 5.690 3.285 5.169) 8.360 11.605 ( -2.823 -1.630 1.950) 3.799 11.847 ( 5.471 3.159 -4.022) 7.489 12.137 ( -1.853 -1.070 8.310) 8.581 12.329 ( 7.003 4.043 -3.398) 8.771 12.769 ( -4.987 -2.879 -5.544) 7.993 13.249 ( -7.635 -4.408 -6.860) 11.171 13.556 ( 2.684 1.550 -6.188) 6.921 13.847 ( 3.300 1.905 3.775) 5.364 14.185 ( -7.466 -4.311 1.291) 8.717 14.733 ( -16.363 -9.447 18.778) 26.639 17.834 ( -1.535 -0.886 0.624) 1.879 18.460 ( 19.862 11.467 4.991) 23.471 18.527 ( 9.227 5.327 -0.541) 10.668 19.210 ( 4.724 2.727 0.401) 5.469 20.393 ( 26.138 15.091 -31.257) 43.450 20.745 ( -12.797 -7.389 -0.240) 14.779 20.985 ( -25.442 -14.689 -0.412) 29.381 21.659 ( -2.730 -1.576 0.849) 3.264 22.666 ( -3.462 -1.999 -2.759) 4.857 23.517 ( 7.840 4.526 4.246) 9.999 23.665 ( 4.036 2.330 -0.088) 4.661 23.806 ( -1.280 -0.739 2.522) 2.924 ======================= Grid point 79 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.215 1.279 13.535) 13.774 1.800 ( 2.507 1.448 0.462) 2.932 2.357 ( -3.914 -2.260 5.837) 7.382 2.469 ( 7.524 4.344 -4.500) 9.784 2.844 ( 12.281 7.091 -5.442) 15.190 3.311 ( 1.224 0.707 8.198) 8.319 3.354 ( -2.790 -1.611 -0.531) 3.265 3.654 ( -2.784 -1.607 1.846) 3.707 3.818 ( -6.405 -3.698 4.032) 8.423 3.843 ( 0.888 0.512 -1.559) 1.866 4.398 ( -4.455 -2.572 3.586) 6.271 4.416 ( 8.526 4.923 3.941) 10.605 4.647 ( -5.205 -3.005 -1.314) 6.153 5.593 ( -0.767 -0.443 -2.513) 2.665 5.671 ( -1.026 -0.592 -5.051) 5.188 5.760 ( -3.459 -1.997 0.020) 3.995 5.908 ( 6.483 3.743 -7.014) 10.258 5.915 ( 5.314 3.068 -0.003) 6.137 6.326 ( 2.034 1.174 -2.572) 3.483 6.486 ( 1.681 0.970 -13.618) 13.756 7.123 ( -1.937 -1.119 -4.898) 5.385 7.276 ( -3.779 -2.182 13.880) 14.550 7.519 ( 2.698 1.557 12.848) 13.220 8.442 ( 5.157 2.978 -6.553) 8.854 8.556 ( 0.261 0.151 -5.822) 5.830 8.711 ( -7.015 -4.050 2.217) 8.398 8.936 ( -6.555 -3.784 -0.369) 7.578 9.290 ( -0.870 -0.502 0.520) 1.131 9.447 ( 8.400 4.850 0.594) 9.717 9.807 ( -3.107 -1.794 0.672) 3.651 11.158 ( 9.311 5.376 -2.752) 11.098 11.494 ( 0.781 0.451 3.554) 3.666 11.538 ( -4.718 -2.724 3.534) 6.494 11.943 ( 3.270 1.888 1.086) 3.929 12.133 ( -3.459 -1.997 5.079) 6.461 12.465 ( 6.801 3.927 -1.366) 7.971 12.656 ( -0.816 -0.471 -5.463) 5.544 13.039 ( -4.863 -2.808 -7.148) 9.090 13.556 ( 1.361 0.786 -6.164) 6.361 13.967 ( 4.619 2.667 3.288) 6.266 14.049 ( -5.186 -2.994 0.704) 6.030 14.493 ( -15.071 -8.701 12.163) 21.232 17.814 ( -0.812 -0.469 1.648) 1.896 18.704 ( 6.037 3.485 -1.668) 7.167 19.004 ( 22.521 13.002 5.166) 26.513 19.364 ( 7.882 4.551 0.777) 9.135 20.353 ( -22.946 -13.248 -2.857) 26.649 20.422 ( -13.797 -7.966 -0.497) 15.939 20.722 ( 15.792 9.118 -16.277) 24.443 21.619 ( -1.367 -0.789 0.927) 1.831 22.549 ( -3.236 -1.869 -6.079) 7.136 23.729 ( 5.660 3.268 6.869) 9.482 23.744 ( 2.608 1.506 -0.012) 3.011 23.772 ( -2.370 -1.368 -0.109) 2.739 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -3.944 -2.277 -6.764) 8.154 1.808 ( -7.118 -4.110 10.914) 13.663 2.378 ( -0.039 -0.023 11.081) 11.081 2.474 ( 1.621 0.936 -10.369) 10.537 3.089 ( 9.245 5.338 2.139) 10.888 3.279 ( -9.945 -5.741 3.252) 11.935 3.329 ( -0.240 -0.139 0.102) 0.296 3.628 ( 0.201 0.116 1.723) 1.739 3.701 ( -4.506 -2.602 1.336) 5.372 3.849 ( 0.517 0.299 -0.524) 0.795 4.381 ( -0.342 -0.198 5.015) 5.030 4.476 ( -9.152 -5.284 -2.548) 10.870 4.655 ( 9.118 5.265 3.650) 11.144 5.598 ( 2.090 1.206 -1.237) 2.711 5.664 ( -3.374 -1.948 -1.564) 4.198 5.667 ( 4.121 2.379 -2.952) 5.600 5.923 ( -3.273 -1.890 -3.798) 5.359 5.995 ( 3.423 1.976 -2.145) 4.497 6.354 ( 2.778 1.604 -3.623) 4.839 6.511 ( 9.243 5.336 -12.382) 16.347 7.038 ( -2.149 -1.241 -5.641) 6.163 7.293 ( -4.757 -2.747 14.651) 15.647 7.619 ( -3.762 -2.172 13.752) 14.422 8.513 ( 3.615 2.087 -5.757) 7.112 8.529 ( 1.534 0.885 -4.813) 5.128 8.604 ( -0.203 -0.117 -2.418) 2.429 8.848 ( -2.129 -1.229 3.844) 4.563 9.258 ( -0.738 -0.426 -2.302) 2.454 9.541 ( -0.601 -0.347 -1.545) 1.694 9.808 ( 1.463 0.845 3.252) 3.664 11.352 ( 7.318 4.225 0.884) 8.496 11.454 ( -4.542 -2.622 4.558) 6.949 11.500 ( -1.783 -1.030 1.823) 2.750 11.984 ( -1.335 -0.771 3.003) 3.375 12.037 ( -6.373 -3.679 -0.623) 7.385 12.612 ( 4.259 2.459 6.221) 7.930 12.677 ( 7.311 4.221 -7.721) 11.441 12.973 ( 3.871 2.235 -5.655) 7.208 13.519 ( -0.827 -0.478 -5.276) 5.362 13.948 ( -3.642 -2.103 -0.591) 4.247 14.075 ( -0.420 -0.243 2.912) 2.952 14.272 ( -7.145 -4.125 6.076) 10.247 17.824 ( 0.178 0.103 2.782) 2.790 18.763 ( 0.576 0.333 -2.305) 2.400 19.295 ( -8.534 -4.927 -0.318) 9.860 19.477 ( -1.725 -0.996 0.082) 1.993 20.068 ( 7.611 4.394 4.224) 9.751 20.232 ( 0.870 0.502 -0.283) 1.044 21.003 ( 16.227 9.369 -4.851) 19.355 21.610 ( -0.198 -0.114 1.056) 1.080 22.429 ( -1.521 -0.878 -11.811) 11.941 23.665 ( -5.361 -3.095 -3.239) 6.986 23.775 ( 0.030 0.017 0.039) 0.052 23.882 ( 1.486 0.858 9.333) 9.489 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -9.456 -5.459 -8.666) 13.940 1.560 ( -18.876 -10.898 5.341) 22.441 2.483 ( 3.556 2.053 -6.351) 7.563 2.502 ( 2.695 1.556 12.059) 12.454 2.901 ( -22.125 -12.774 -1.095) 25.572 3.288 ( -3.822 -2.206 1.869) 4.792 3.309 ( 8.318 4.802 3.838) 10.343 3.669 ( 1.484 0.857 -1.969) 2.610 3.688 ( 2.963 1.711 2.187) 4.060 3.860 ( -0.157 -0.091 1.979) 1.988 4.208 ( -10.974 -6.336 -3.112) 13.048 4.423 ( -0.204 -0.118 5.557) 5.562 4.865 ( 6.791 3.921 2.955) 8.380 5.571 ( -4.194 -2.422 -6.377) 8.007 5.636 ( 3.263 1.884 -3.337) 5.033 5.787 ( 6.745 3.894 -3.053) 8.365 5.852 ( 1.204 0.695 1.322) 1.919 6.012 ( -0.365 -0.211 -1.836) 1.884 6.414 ( 4.247 2.452 -0.859) 4.979 6.661 ( 9.113 5.261 -6.714) 12.482 6.936 ( -3.325 -1.919 -4.919) 6.240 7.254 ( -6.294 -3.634 7.638) 10.543 7.550 ( -8.764 -5.060 8.231) 13.045 8.491 ( -1.087 -0.627 -2.233) 2.562 8.576 ( 4.701 2.714 -0.786) 5.484 8.696 ( 8.181 4.723 -3.613) 10.114 8.904 ( 4.118 2.378 4.252) 6.379 9.243 ( 0.760 0.439 -1.934) 2.124 9.386 ( -11.246 -6.493 -2.383) 13.203 9.890 ( 2.815 1.625 3.705) 4.929 11.332 ( -6.469 -3.735 4.440) 8.690 11.438 ( -4.887 -2.821 1.109) 5.751 11.561 ( 6.313 3.645 3.822) 8.231 11.867 ( -5.224 -3.016 -5.593) 8.226 11.939 ( -3.483 -2.011 1.886) 4.442 12.780 ( 6.182 3.569 4.975) 8.701 12.814 ( 7.826 4.519 -5.180) 10.417 13.107 ( 10.094 5.828 -4.135) 12.367 13.448 ( -3.344 -1.930 1.843) 4.278 13.862 ( -3.093 -1.786 -2.623) 4.431 13.941 ( -8.179 -4.722 2.583) 9.791 14.331 ( 5.411 3.124 1.446) 6.413 17.859 ( 0.668 0.386 3.343) 3.431 18.696 ( -5.121 -2.957 -1.996) 6.241 18.843 ( -23.225 -13.409 -0.186) 26.819 19.310 ( -8.855 -5.113 -1.162) 10.291 20.439 ( 13.775 7.953 0.066) 15.907 20.509 ( 21.176 12.226 1.340) 24.488 21.429 ( 19.891 11.484 10.626) 25.307 21.626 ( 0.920 0.531 1.176) 1.584 22.278 ( -0.955 -0.551 -23.008) 23.034 23.472 ( -8.339 -4.814 -6.212) 11.459 23.746 ( -2.565 -1.481 0.029) 2.962 23.943 ( -3.153 -1.821 12.145) 12.679 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -22.151 -12.789 6.979) 26.513 1.173 ( -18.022 -10.405 -4.211) 21.232 2.123 ( -36.296 -20.955 5.263) 42.240 2.657 ( 4.389 2.534 -5.068) 7.168 2.660 ( 3.782 2.183 8.343) 9.416 3.200 ( -2.830 -1.634 -4.619) 5.658 3.526 ( 6.672 3.852 5.454) 9.440 3.710 ( 3.585 2.070 -2.413) 4.792 3.767 ( 2.683 1.549 -0.195) 3.105 3.865 ( -1.435 -0.828 3.307) 3.699 3.997 ( -5.135 -2.965 0.052) 5.930 4.453 ( -0.358 -0.207 6.125) 6.139 5.013 ( 5.613 3.241 -0.557) 6.505 5.375 ( -7.551 -4.359 -5.969) 10.566 5.749 ( 9.062 5.232 -4.829) 11.524 5.819 ( -3.580 -2.067 -2.448) 4.804 5.964 ( 4.798 2.770 4.364) 7.053 6.009 ( 3.500 2.021 -5.552) 6.868 6.503 ( 2.089 1.206 -4.465) 5.075 6.786 ( 3.551 2.050 -1.628) 4.412 6.848 ( -0.893 -0.516 4.598) 4.712 7.148 ( -4.031 -2.327 0.109) 4.655 7.396 ( -7.409 -4.278 2.933) 9.044 8.461 ( -0.204 -0.118 -1.221) 1.244 8.719 ( 6.468 3.734 2.453) 7.861 8.867 ( 7.562 4.366 -1.763) 8.908 9.031 ( -17.080 -9.861 -2.079) 19.831 9.072 ( 7.628 4.404 1.859) 9.003 9.256 ( 1.112 0.642 0.336) 1.327 9.980 ( 2.770 1.599 3.413) 4.677 11.193 ( -7.885 -4.552 2.064) 9.336 11.290 ( -8.633 -4.984 1.715) 10.115 11.667 ( 0.712 0.411 -3.026) 3.135 11.802 ( 2.810 1.622 2.249) 3.948 11.887 ( -1.606 -0.927 0.601) 1.949 12.813 ( -0.257 -0.148 -22.862) 22.864 12.950 ( 4.697 2.712 0.271) 5.430 13.321 ( 10.356 5.979 -3.851) 12.563 13.510 ( 0.197 0.114 30.645) 30.646 13.770 ( -2.928 -1.690 -0.223) 3.388 13.829 ( -0.785 -0.453 -3.455) 3.572 14.463 ( 4.971 2.870 1.412) 5.911 17.895 ( 0.190 0.110 2.906) 2.915 18.355 ( -19.015 -10.978 1.314) 21.995 18.515 ( -8.706 -5.027 -0.930) 10.096 19.151 ( -3.762 -2.172 -1.799) 4.702 20.753 ( 12.454 7.190 0.014) 14.381 20.943 ( 15.844 9.147 -1.111) 18.329 21.670 ( 2.093 1.208 1.233) 2.713 21.959 ( -1.202 -0.694 -42.960) 42.983 22.082 ( 20.948 12.094 17.861) 30.068 23.201 ( -10.589 -6.113 -6.029) 13.633 23.667 ( -4.012 -2.316 -0.042) 4.633 23.931 ( -6.383 -3.685 14.257) 16.050 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -0.000 9.248 13.581) 16.430 1.304 ( -0.000 18.854 20.959) 28.191 1.722 ( -0.000 20.221 21.502) 29.517 2.566 ( 0.000 5.237 -21.696) 22.319 2.727 ( -0.000 -0.035 2.537) 2.537 2.892 ( 0.000 6.232 0.065) 6.233 3.648 ( 0.000 0.052 -3.345) 3.346 3.699 ( -0.000 -0.372 1.742) 1.781 3.881 ( -0.000 -5.320 6.419) 8.337 3.976 ( -0.000 0.840 5.995) 6.053 4.209 ( -0.000 -4.416 9.597) 10.564 4.774 ( -0.000 -7.300 6.522) 9.789 5.000 ( 0.000 -2.429 -3.124) 3.957 5.160 ( 0.000 6.708 3.345) 7.495 5.548 ( 0.000 6.465 -4.741) 8.017 5.741 ( 0.000 -9.534 -10.643) 14.289 5.814 ( 0.000 -1.167 -11.103) 11.164 6.094 ( 0.000 -0.645 -0.778) 1.011 6.178 ( 0.000 8.936 -0.430) 8.946 6.705 ( 0.000 -0.093 -3.450) 3.451 7.207 ( -0.000 -2.184 6.054) 6.436 7.224 ( -0.000 -5.526 1.655) 5.769 7.337 ( 0.000 -1.985 -3.598) 4.110 8.370 ( 0.000 2.940 -5.122) 5.906 8.474 ( 0.000 12.664 -7.579) 14.758 8.964 ( 0.000 -1.568 -3.386) 3.732 9.091 ( -0.000 -2.761 2.246) 3.559 9.092 ( -0.000 -2.216 9.153) 9.417 9.475 ( -0.000 -8.366 1.822) 8.562 10.242 ( -0.000 -13.210 3.805) 13.747 10.877 ( 0.000 8.375 -9.481) 12.650 11.134 ( 0.000 17.017 -0.683) 17.030 11.629 ( -0.000 -0.578 2.968) 3.024 11.710 ( 0.000 4.671 -3.794) 6.018 12.122 ( -0.000 -4.053 8.817) 9.704 12.255 ( 0.000 6.656 5.290) 8.502 12.922 ( 0.000 -2.911 -5.997) 6.666 13.344 ( 0.000 -8.416 -7.922) 11.558 13.525 ( 0.000 6.100 -7.763) 9.873 13.790 ( -0.000 1.088 3.977) 4.123 14.342 ( -0.000 -6.671 -3.695) 7.626 15.175 ( -0.000 -26.112 21.791) 34.011 17.945 ( 0.000 2.240 1.530) 2.713 18.060 ( 0.000 14.855 1.523) 14.932 18.334 ( 0.000 5.830 -0.149) 5.832 19.064 ( 0.000 0.161 -1.089) 1.100 19.674 ( 0.000 44.765 -23.584) 50.597 20.972 ( -0.000 -7.603 -0.041) 7.604 21.507 ( -0.000 -22.431 0.660) 22.441 21.764 ( -0.000 -2.271 1.480) 2.710 22.666 ( 0.000 1.161 0.076) 1.164 23.257 ( -0.000 -15.766 3.566) 16.164 23.576 ( 0.000 3.712 -0.213) 3.718 23.932 ( 0.000 14.086 -2.678) 14.338 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 26.784 5.859 7.817) 28.510 1.611 ( 2.650 4.503 19.114) 19.815 2.051 ( 0.068 19.402 4.006) 19.811 2.506 ( -1.731 9.002 -9.802) 13.421 2.701 ( -3.602 9.971 -0.483) 10.612 3.092 ( 10.905 3.315 4.814) 12.372 3.546 ( -6.492 -0.723 -0.566) 6.556 3.714 ( -0.060 -1.282 -2.310) 2.642 3.875 ( -1.187 -4.220 6.476) 7.820 4.007 ( -2.889 1.171 5.736) 6.528 4.242 ( 1.148 -2.742 9.146) 9.617 4.698 ( -8.648 -2.399 5.434) 10.491 4.829 ( -7.861 -2.506 -2.180) 8.534 5.390 ( 13.261 -0.098 -1.757) 13.377 5.547 ( 1.563 -7.948 -5.119) 9.582 5.631 ( 7.795 -2.681 -10.047) 12.996 5.745 ( -0.053 5.022 -8.058) 9.495 6.007 ( -5.906 -0.624 -1.000) 6.022 6.308 ( 1.737 8.108 0.971) 8.349 6.601 ( -5.610 -1.506 -6.329) 8.590 7.145 ( 2.235 -8.077 -2.675) 8.797 7.286 ( 5.520 -3.592 7.031) 9.633 7.375 ( 0.049 5.396 5.160) 7.466 8.344 ( -1.397 2.287 -5.302) 5.941 8.568 ( 1.132 12.130 -7.892) 14.515 8.903 ( -3.087 -0.980 -1.442) 3.545 9.083 ( 4.185 -8.157 4.035) 10.017 9.143 ( 0.098 -1.634 2.222) 2.760 9.381 ( -2.487 -4.721 3.080) 6.161 10.054 ( -10.066 -5.161 1.097) 11.365 10.937 ( 3.405 12.319 -7.443) 14.790 11.371 ( 6.499 9.215 3.416) 11.782 11.656 ( -1.134 0.279 3.860) 4.033 11.751 ( 4.317 4.330 -4.553) 7.623 12.150 ( 1.069 -5.816 8.072) 10.007 12.343 ( 0.187 4.564 3.320) 5.647 12.806 ( -5.782 -0.758 -4.880) 7.604 13.186 ( -0.597 -10.431 -8.132) 13.240 13.515 ( -0.001 5.195 -9.091) 10.470 13.846 ( 1.937 1.275 3.491) 4.191 14.222 ( -3.631 -5.877 -1.339) 7.037 14.991 ( -11.079 -18.998 19.184) 29.184 17.935 ( -4.777 5.001 1.114) 7.005 18.330 ( 10.433 13.739 3.480) 17.598 18.457 ( 6.622 7.997 -0.146) 10.384 19.144 ( 6.579 2.952 -0.277) 7.217 20.036 ( 14.967 32.261 -25.630) 43.837 20.801 ( -8.172 -13.903 -0.184) 16.128 21.188 ( -11.402 -19.542 0.329) 22.628 21.680 ( -5.102 -4.178 1.232) 6.709 22.594 ( -0.346 -13.181 -1.929) 13.326 23.323 ( 11.892 -2.884 5.584) 13.450 23.640 ( 2.672 4.217 0.052) 4.993 23.994 ( -5.750 12.915 -1.725) 14.242 ======================= Grid point 87 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 2.586 -0.984 13.555) 13.835 1.943 ( 8.794 14.353 3.191) 17.133 2.151 ( 10.878 -2.356 -5.181) 12.277 2.476 ( -4.612 3.429 3.770) 6.873 2.846 ( 0.017 16.616 -1.715) 16.705 3.285 ( 5.562 -1.880 3.325) 6.747 3.433 ( -6.152 -0.417 2.145) 6.529 3.687 ( -0.816 0.441 -0.515) 1.061 3.854 ( -1.813 0.205 2.708) 3.266 3.986 ( -6.737 3.448 4.602) 8.857 4.334 ( 5.458 -0.858 3.394) 6.484 4.545 ( -9.354 0.663 4.015) 10.201 4.701 ( -4.599 -3.182 1.245) 5.729 5.397 ( 5.243 -11.356 -8.134) 14.920 5.552 ( 7.274 -9.346 -7.364) 13.946 5.676 ( 6.432 0.256 -0.769) 6.483 5.862 ( 6.028 8.810 -2.694) 11.009 5.910 ( -2.970 2.241 -2.294) 4.372 6.336 ( -4.296 1.551 -4.022) 6.086 6.468 ( -2.920 3.549 -5.958) 7.524 7.107 ( 0.428 -1.247 -2.798) 3.093 7.392 ( 0.918 -2.591 10.640) 10.990 7.517 ( 7.565 0.770 9.042) 11.815 8.289 ( -0.680 -1.393 -6.349) 6.535 8.599 ( -2.363 7.358 -4.590) 8.989 8.819 ( -5.693 -2.065 1.777) 6.311 8.996 ( -5.319 -3.979 -2.805) 7.211 9.199 ( 7.648 -4.418 0.593) 8.852 9.404 ( 3.115 2.102 0.733) 3.828 9.875 ( -6.909 -1.967 1.441) 7.327 11.108 ( 5.457 14.121 -3.490) 15.536 11.515 ( 0.742 0.991 4.561) 4.726 11.646 ( -4.096 1.303 4.204) 6.013 11.879 ( 6.925 5.392 -2.515) 9.130 12.157 ( 0.642 -6.303 5.458) 8.362 12.423 ( 2.836 2.614 3.514) 5.218 12.653 ( -5.689 -2.488 -5.249) 8.130 13.020 ( -2.400 -3.583 -7.072) 8.283 13.493 ( 1.351 2.288 -9.485) 9.850 13.935 ( 4.059 1.623 2.706) 5.141 14.098 ( -4.586 -3.835 0.075) 5.979 14.733 ( -13.961 -15.159 13.948) 24.885 17.916 ( -4.982 6.219 1.928) 8.198 18.593 ( 8.658 3.622 -2.315) 9.667 18.794 ( 17.327 11.821 5.429) 21.667 19.339 ( 7.840 11.940 0.558) 14.295 20.290 ( -1.309 -5.097 -9.871) 11.187 20.515 ( 3.318 3.485 -10.274) 11.345 20.785 ( -19.676 -6.548 -0.157) 20.738 21.581 ( -0.335 -7.343 1.077) 7.429 22.426 ( 0.755 -15.636 -3.995) 16.156 23.555 ( 10.748 -1.082 3.505) 11.357 23.741 ( 3.734 3.035 2.249) 5.311 23.980 ( -8.134 10.876 -0.838) 13.607 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -0.688 -8.002 9.485) 12.428 1.923 ( -11.294 14.940 -5.061) 19.400 2.358 ( 5.200 1.331 -6.501) 8.430 2.531 ( 0.563 2.482 10.457) 10.762 2.950 ( 5.439 3.357 1.628) 6.595 3.322 ( 0.728 -5.346 1.260) 5.540 3.344 ( -4.499 -2.789 1.067) 5.400 3.644 ( -3.925 -1.432 0.606) 4.221 3.867 ( -1.444 2.091 1.491) 2.946 3.930 ( -9.106 9.523 3.274) 13.576 4.424 ( 1.234 -0.782 4.582) 4.809 4.536 ( 0.233 -0.373 -0.088) 0.449 4.597 ( -1.715 0.055 2.024) 2.654 5.353 ( 9.340 -10.693 -5.434) 15.202 5.514 ( 4.996 -7.184 -4.748) 9.955 5.752 ( 0.893 0.930 -1.827) 2.236 5.847 ( -0.149 -6.783 0.623) 6.813 6.049 ( 2.834 11.978 -2.633) 12.587 6.277 ( 4.097 4.999 -9.581) 11.558 6.435 ( -2.412 5.871 -4.358) 7.700 7.070 ( -3.623 2.904 -2.561) 5.303 7.418 ( -3.382 -4.577 10.766) 12.178 7.749 ( 6.268 0.830 13.080) 14.528 8.188 ( 2.464 -9.980 -7.633) 12.803 8.591 ( -1.428 0.758 -0.526) 1.700 8.696 ( -5.792 3.922 -4.386) 8.256 8.912 ( -2.412 1.417 1.341) 3.102 9.236 ( 0.692 -1.265 -1.845) 2.342 9.497 ( 6.249 0.694 -2.774) 6.872 9.808 ( -1.757 -2.097 3.618) 4.536 11.321 ( 5.201 11.374 0.259) 12.510 11.515 ( -2.402 -2.231 3.174) 4.563 11.612 ( -5.832 2.589 4.334) 7.714 11.996 ( 2.040 0.855 1.713) 2.797 12.111 ( -4.533 -4.734 1.932) 6.833 12.504 ( 3.397 -2.001 -10.271) 11.002 12.574 ( 6.210 -1.244 7.735) 9.997 12.968 ( -0.681 8.265 -5.176) 9.775 13.463 ( 2.028 -0.056 -8.510) 8.749 13.987 ( -4.310 -1.946 -0.307) 4.739 14.053 ( 4.505 1.206 2.521) 5.301 14.438 ( -13.529 -12.938 8.886) 20.722 17.920 ( -4.117 6.553 2.985) 8.294 18.704 ( 4.380 0.430 -2.838) 5.237 19.190 ( 11.192 0.888 1.828) 11.374 19.619 ( 2.362 17.590 1.356) 17.799 19.919 ( -4.307 -20.985 1.130) 21.453 20.409 ( -13.180 -1.291 -0.914) 13.275 20.828 ( 14.605 21.887 -8.496) 27.650 21.540 ( 3.415 -8.000 0.990) 8.754 22.251 ( 1.588 -14.750 -8.611) 17.153 23.666 ( 1.750 0.181 -2.475) 3.036 23.828 ( -1.203 1.259 3.192) 3.636 23.960 ( -2.586 5.404 4.256) 7.349 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -12.572 1.410 -3.494) 13.124 1.846 ( -15.858 4.290 2.093) 16.560 2.349 ( 4.657 1.388 -8.439) 9.738 2.620 ( -2.903 0.773 14.350) 14.661 3.068 ( -12.651 -15.040 1.585) 19.717 3.156 ( 11.943 -0.580 1.444) 12.043 3.374 ( 0.152 2.702 1.004) 2.886 3.561 ( -1.361 -3.251 -0.415) 3.549 3.836 ( -4.422 2.671 2.314) 5.661 3.951 ( -4.678 9.089 3.980) 10.970 4.313 ( -11.454 -6.914 -1.459) 13.458 4.492 ( -1.092 1.680 5.915) 6.245 4.744 ( 9.817 -1.149 -0.077) 9.884 5.427 ( 11.023 -4.549 -4.249) 12.659 5.528 ( 5.903 -4.286 -1.934) 7.547 5.668 ( -2.162 -3.776 -5.535) 7.041 5.837 ( 3.513 2.118 -2.815) 4.975 6.137 ( -6.035 7.707 1.823) 9.957 6.352 ( 4.073 3.577 -2.545) 5.989 6.523 ( 9.252 10.286 -7.968) 15.965 7.002 ( -5.813 2.999 -1.211) 6.652 7.338 ( -6.129 -7.670 5.508) 11.257 7.782 ( -12.632 -0.549 5.467) 13.775 8.203 ( 17.083 -11.694 0.411) 20.707 8.545 ( -0.485 -1.253 -2.206) 2.583 8.699 ( 1.425 6.944 -2.800) 7.622 8.940 ( 0.008 3.735 4.426) 5.791 9.219 ( 0.172 1.028 -2.329) 2.551 9.512 ( -5.713 1.932 -4.044) 7.261 9.819 ( 4.871 -5.676 4.378) 8.667 11.452 ( -3.991 0.602 3.866) 5.589 11.463 ( -1.147 -2.187 1.461) 2.869 11.605 ( -1.199 6.932 3.794) 7.993 11.908 ( -8.689 -6.084 -2.272) 10.847 12.003 ( -3.232 -1.082 1.200) 3.613 12.558 ( 11.589 -0.679 -9.683) 15.117 12.764 ( 7.185 0.806 8.931) 11.490 13.055 ( 2.888 11.783 -7.491) 14.258 13.457 ( 3.086 0.964 -1.065) 3.404 13.895 ( -4.427 -1.072 -0.023) 4.555 14.054 ( -8.254 -7.694 3.876) 11.932 14.275 ( 3.035 -2.125 2.768) 4.624 17.945 ( -3.206 5.652 3.331) 7.302 18.715 ( -0.597 -0.469 -2.569) 2.679 19.012 ( -16.262 -15.904 0.350) 22.749 19.565 ( -18.858 4.984 0.520) 19.512 20.043 ( 23.998 -4.215 0.438) 24.370 20.457 ( 10.180 12.683 -0.641) 16.276 21.300 ( 17.934 19.292 2.852) 26.494 21.560 ( 5.969 -3.658 1.280) 7.116 22.036 ( 0.305 -13.635 -17.502) 22.188 23.578 ( -8.854 1.486 -4.787) 10.174 23.798 ( -3.505 1.155 0.202) 3.696 24.030 ( 0.355 -2.367 9.612) 9.906 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -18.382 -4.805 4.658) 19.562 1.565 ( -24.071 13.017 -2.887) 27.517 2.390 ( -3.417 -8.417 0.031) 9.084 2.543 ( -4.513 -11.112 0.499) 12.004 2.825 ( -7.916 3.177 12.500) 15.133 3.207 ( -4.050 -1.060 -7.700) 8.765 3.443 ( 6.776 -2.261 5.797) 9.199 3.591 ( 6.448 0.662 -1.641) 6.687 3.825 ( -1.623 1.976 2.147) 3.339 3.981 ( -5.547 6.776 5.235) 10.202 4.047 ( -7.866 -6.944 -1.011) 10.541 4.509 ( -1.640 -2.652 6.465) 7.178 4.874 ( 8.903 -2.557 -3.174) 9.792 5.460 ( -5.665 3.355 -3.342) 7.384 5.565 ( 9.603 0.050 -5.337) 10.987 5.722 ( 9.993 -0.344 -1.575) 10.123 5.918 ( 5.122 2.931 -4.420) 7.373 6.041 ( -8.697 1.381 0.136) 8.807 6.444 ( 2.868 1.084 -2.120) 3.728 6.727 ( 6.137 8.725 -4.715) 11.663 6.947 ( -2.672 3.897 2.867) 5.527 7.172 ( -5.796 -7.364 1.945) 9.571 7.544 ( -11.500 -4.018 -0.958) 12.220 8.380 ( 8.011 -4.957 2.010) 9.633 8.584 ( 7.812 0.166 1.106) 7.892 8.800 ( 5.166 2.870 -0.104) 5.911 9.039 ( 2.881 4.267 1.892) 5.485 9.218 ( -0.374 -0.805 -1.888) 2.086 9.294 ( -15.027 1.581 -1.208) 15.158 9.908 ( 6.815 -4.284 2.954) 8.574 11.332 ( -10.265 -3.229 0.140) 10.762 11.383 ( -5.409 -3.117 2.789) 6.837 11.659 ( -1.808 -0.817 -2.819) 3.448 11.802 ( 2.149 2.799 4.534) 5.746 11.936 ( -3.981 0.020 0.778) 4.057 12.635 ( 5.034 0.295 -14.427) 15.283 12.904 ( 2.131 -0.722 1.350) 2.624 13.154 ( 9.016 4.738 -7.724) 12.783 13.656 ( 8.864 6.694 16.349) 19.765 13.815 ( -4.376 -1.583 1.081) 4.777 13.844 ( -6.829 -6.439 0.977) 9.437 14.392 ( 6.986 0.383 2.291) 7.362 17.958 ( -2.614 1.988 2.330) 4.027 18.569 ( -18.357 -10.373 1.968) 21.176 18.632 ( -7.374 -0.650 -1.259) 7.509 19.287 ( -14.173 1.705 -0.177) 14.276 20.452 ( 24.588 -0.669 -0.788) 24.610 20.788 ( 13.518 9.362 -0.972) 16.472 21.564 ( 7.414 -4.897 1.277) 8.977 21.670 ( -6.203 -9.686 -33.830) 35.732 21.986 ( 21.036 19.889 10.712) 30.868 23.368 ( -13.089 2.516 -3.149) 13.696 23.735 ( -4.545 0.276 -0.726) 4.610 24.040 ( -2.493 -7.422 9.994) 12.696 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 0.034 5.220) 5.221 1.751 ( -0.000 -1.315 16.080) 16.134 2.321 ( 0.000 20.313 0.259) 20.314 2.570 ( 0.000 19.759 -11.807) 23.018 2.927 ( -0.000 8.788 12.272) 15.094 2.995 ( 0.000 4.936 -1.791) 5.251 3.602 ( 0.000 2.911 -4.539) 5.392 3.677 ( -0.000 -3.931 0.229) 3.938 3.913 ( -0.000 -3.759 11.222) 11.834 4.092 ( -0.000 2.739 4.955) 5.662 4.250 ( -0.000 -5.427 7.050) 8.897 4.792 ( -0.000 1.205 3.322) 3.534 4.905 ( -0.000 -4.288 -0.654) 4.337 5.222 ( 0.000 -2.811 -8.003) 8.482 5.405 ( -0.000 -7.752 0.342) 7.760 5.433 ( 0.000 -5.994 -9.836) 11.518 5.764 ( 0.000 10.046 -5.233) 11.328 6.062 ( 0.000 0.118 -2.041) 2.044 6.376 ( 0.000 7.752 3.466) 8.492 6.576 ( 0.000 -6.620 -6.278) 9.124 6.943 ( -0.000 -11.000 -7.669) 13.410 7.285 ( -0.000 -3.274 10.747) 11.235 7.481 ( 0.000 7.830 5.278) 9.442 8.371 ( 0.000 4.659 -5.134) 6.933 8.633 ( 0.000 15.524 -9.121) 18.005 8.912 ( 0.000 -0.151 -1.206) 1.216 8.956 ( -0.000 -11.096 0.137) 11.097 9.165 ( -0.000 -2.984 6.647) 7.286 9.346 ( -0.000 -7.056 1.541) 7.222 10.113 ( -0.000 -4.083 0.159) 4.086 10.974 ( 0.000 15.498 -8.159) 17.515 11.460 ( 0.000 12.978 3.664) 13.485 11.709 ( -0.000 1.690 5.189) 5.457 11.727 ( 0.000 3.463 -3.385) 4.842 12.148 ( -0.000 -6.255 9.094) 11.038 12.382 ( -0.000 -0.610 2.058) 2.146 12.862 ( 0.000 4.851 -2.269) 5.356 12.982 ( -0.000 -14.568 -9.182) 17.221 13.485 ( 0.000 2.987 -10.533) 10.949 13.862 ( -0.000 0.706 3.023) 3.105 14.192 ( -0.000 -4.150 -0.952) 4.258 15.015 ( -0.000 -20.754 15.943) 26.171 18.016 ( 0.000 2.361 1.098) 2.604 18.451 ( 0.000 6.038 -1.362) 6.190 18.490 ( 0.000 24.032 3.385) 24.269 19.114 ( 0.000 6.350 0.727) 6.392 20.082 ( 0.000 33.865 -21.404) 40.062 20.746 ( -0.000 -14.793 -0.250) 14.795 21.000 ( -0.000 -28.534 0.258) 28.535 21.732 ( -0.000 -2.450 0.893) 2.608 22.409 ( -0.000 -21.607 0.234) 21.608 23.266 ( -0.000 3.402 6.319) 7.177 23.662 ( 0.000 4.798 -0.113) 4.800 24.147 ( 0.000 11.729 -3.330) 12.193 ======================= Grid point 95 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 28.549 -2.167 4.373) 28.963 1.830 ( 0.796 -3.882 11.276) 11.952 2.360 ( -10.690 11.949 -2.529) 16.231 2.646 ( -5.555 13.630 -4.581) 15.415 3.015 ( -0.156 10.995 1.516) 11.100 3.194 ( 6.108 3.012 4.676) 8.261 3.544 ( -5.463 -0.525 0.026) 5.488 3.671 ( 2.213 1.662 -3.172) 4.210 3.944 ( -2.848 -0.117 8.753) 9.205 4.138 ( -1.990 4.245 2.962) 5.546 4.266 ( 2.188 -2.717 3.084) 4.656 4.740 ( -6.945 -6.171 1.049) 9.350 4.790 ( -8.177 3.064 4.263) 9.717 5.127 ( 4.306 -7.165 -12.131) 14.732 5.313 ( 3.708 -7.386 -6.211) 10.338 5.515 ( 10.120 -2.488 3.053) 10.859 5.863 ( 1.627 9.656 -2.337) 10.067 5.985 ( -4.832 2.276 -2.225) 5.786 6.373 ( -6.109 -6.114 -8.105) 11.849 6.503 ( 1.381 2.660 3.763) 4.811 6.924 ( 13.525 -5.112 -6.446) 15.831 7.345 ( 1.960 -5.718 11.026) 12.574 7.592 ( -1.392 6.493 7.258) 9.837 8.330 ( -4.805 4.381 -6.073) 8.898 8.683 ( -2.688 7.148 -5.330) 9.313 8.880 ( -0.239 -4.563 -2.724) 5.319 8.918 ( 3.431 -1.481 0.549) 3.777 9.127 ( -3.147 -2.285 1.797) 4.284 9.342 ( 4.053 -4.076 1.563) 5.957 10.000 ( -7.688 -1.519 -0.170) 7.838 11.146 ( 5.719 17.433 -4.808) 18.967 11.578 ( -1.696 3.283 4.958) 6.183 11.732 ( -0.997 3.244 0.547) 3.438 11.824 ( 5.424 7.926 -0.537) 9.620 12.137 ( -2.064 -6.824 7.480) 10.333 12.400 ( 3.452 -3.384 3.893) 6.207 12.685 ( -6.999 -10.377 -7.187) 14.433 12.961 ( 2.682 4.777 -2.610) 6.069 13.413 ( -0.076 -0.400 -10.776) 10.784 13.909 ( 2.332 0.613 2.411) 3.410 14.134 ( -2.730 -1.469 -0.461) 3.134 14.853 ( -7.814 -18.472 11.494) 23.117 18.045 ( -0.563 3.740 0.732) 3.852 18.511 ( 2.860 5.110 -2.109) 6.224 18.789 ( 4.268 18.886 5.032) 20.005 19.312 ( 10.289 13.918 0.997) 17.337 20.272 ( -1.733 15.092 -12.708) 19.806 20.450 ( -5.570 -10.911 -4.555) 13.070 20.803 ( 3.215 -18.247 -0.507) 18.535 21.618 ( -9.002 -3.174 0.675) 9.569 22.206 ( 0.969 -21.742 0.996) 21.786 23.428 ( 8.117 2.533 4.845) 9.787 23.730 ( 2.568 3.630 0.842) 4.525 24.183 ( -4.958 9.520 -3.152) 11.187 ======================= Grid point 96 (37/65) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.298 -9.425 8.127) 12.875 2.063 ( 23.239 0.906 2.953) 23.443 2.253 ( -7.602 10.452 -2.559) 13.175 2.604 ( -7.905 8.925 -4.617) 12.785 3.081 ( -3.470 5.861 2.547) 7.272 3.262 ( -1.000 -4.806 2.049) 5.319 3.427 ( -6.579 -2.594 1.666) 7.266 3.675 ( -0.953 -0.245 -3.106) 3.258 3.961 ( -3.656 2.831 5.089) 6.876 4.178 ( -3.421 8.490 2.237) 9.423 4.323 ( 6.293 -0.047 -0.579) 6.320 4.594 ( -5.408 -4.602 2.670) 7.586 4.693 ( -7.285 -0.543 3.091) 7.932 5.077 ( 6.753 -3.823 -9.044) 11.917 5.315 ( 6.252 -4.442 -2.392) 8.034 5.662 ( 6.718 -3.028 1.943) 7.621 5.810 ( -3.984 -8.643 1.997) 9.724 6.083 ( 4.399 13.568 -3.787) 14.758 6.216 ( 0.440 5.520 -10.900) 12.226 6.515 ( -2.565 -1.891 2.519) 4.062 7.115 ( 6.743 5.672 -1.166) 8.888 7.404 ( 5.994 -9.339 6.372) 12.797 7.670 ( 0.721 -0.019 8.904) 8.933 8.203 ( -8.519 1.715 -5.699) 10.392 8.624 ( -2.921 -4.868 1.779) 5.949 8.769 ( -4.865 0.488 -6.028) 7.762 8.967 ( 0.030 4.166 0.131) 4.168 9.172 ( 6.268 2.330 0.426) 6.701 9.363 ( 2.722 -3.612 -1.591) 4.794 9.878 ( -5.062 -1.060 1.181) 5.305 11.377 ( 3.948 13.816 -1.263) 14.424 11.567 ( -2.842 -1.088 3.023) 4.290 11.746 ( -2.500 2.778 1.796) 4.146 11.997 ( 2.164 7.274 1.148) 7.675 12.078 ( 1.805 -6.415 1.763) 6.893 12.395 ( -4.424 -11.830 -7.508) 14.693 12.529 ( 5.488 -0.377 8.985) 10.535 13.041 ( -0.314 11.313 -3.645) 11.890 13.333 ( 2.465 -3.048 -8.778) 9.613 13.989 ( 4.291 0.748 1.358) 4.562 14.066 ( -4.237 0.355 -0.106) 4.253 14.577 ( -11.953 -16.267 6.864) 21.321 18.075 ( -2.387 5.284 1.447) 5.976 18.604 ( 5.017 2.354 -2.282) 5.994 19.081 ( 8.700 11.295 3.270) 14.628 19.704 ( 11.626 20.927 1.412) 23.981 19.867 ( -14.930 -23.138 -0.484) 27.541 20.468 ( -2.387 -8.094 -4.462) 9.546 20.832 ( 8.538 20.544 -5.112) 22.828 21.449 ( -4.294 -6.023 0.546) 7.417 22.017 ( 0.464 -19.702 -1.177) 19.743 23.600 ( 5.936 1.928 0.217) 6.245 23.829 ( 3.981 0.259 4.143) 5.752 24.129 ( -7.484 6.227 -2.223) 9.987 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.457 -7.480 4.019) 9.168 2.168 ( -2.418 9.247 -2.207) 9.809 2.341 ( -11.241 10.934 -7.635) 17.442 2.641 ( 13.491 -4.521 7.343) 16.012 3.013 ( -8.725 -10.812 -3.484) 14.323 3.141 ( -1.463 -1.521 5.443) 5.838 3.378 ( 0.026 1.050 2.880) 3.066 3.601 ( -3.805 -1.601 -2.417) 4.784 3.940 ( -4.263 0.230 3.845) 5.746 4.175 ( -7.638 6.812 2.611) 10.562 4.417 ( -3.525 -6.419 -0.047) 7.323 4.508 ( 5.727 1.957 -0.782) 6.102 4.610 ( -2.818 -3.742 2.488) 5.304 5.182 ( 11.135 4.212 -4.500) 12.727 5.364 ( 5.273 -4.725 -0.395) 7.091 5.639 ( -1.627 -4.692 -1.302) 5.134 5.766 ( 3.473 0.847 -2.273) 4.237 6.248 ( 3.912 8.889 -0.523) 9.725 6.339 ( 3.935 9.571 -2.840) 10.731 6.453 ( 0.180 0.418 -1.834) 1.890 7.151 ( -6.763 0.930 4.628) 8.248 7.406 ( -3.395 -0.297 -3.119) 4.620 7.804 ( 12.675 -12.408 1.781) 17.827 8.007 ( -8.924 0.619 2.404) 9.263 8.542 ( -1.800 -2.732 0.160) 3.276 8.701 ( -0.196 2.091 -3.526) 4.104 9.015 ( -0.512 3.192 3.418) 4.705 9.248 ( -2.543 4.371 -1.229) 5.204 9.433 ( 10.778 -0.522 -2.811) 11.151 9.798 ( -3.947 -3.513 1.921) 5.622 11.474 ( -0.884 0.542 0.091) 1.041 11.546 ( -2.402 0.806 3.444) 4.275 11.724 ( -3.555 1.893 1.902) 4.454 11.998 ( -7.952 -3.787 -0.851) 8.848 12.025 ( -1.113 -3.068 0.070) 3.264 12.313 ( 9.184 1.930 -6.815) 11.598 12.722 ( 6.728 -0.401 12.104) 13.854 13.068 ( -1.371 6.472 -11.833) 13.557 13.378 ( 7.213 5.076 0.144) 8.822 13.991 ( -5.382 2.184 0.031) 5.808 14.077 ( 2.560 -2.120 1.089) 3.498 14.268 ( -8.529 -12.673 3.380) 15.645 18.080 ( -3.669 3.010 1.619) 5.014 18.678 ( 2.808 1.557 -1.409) 3.506 19.194 ( -14.635 -0.595 1.479) 14.721 19.601 ( 16.664 -10.472 -1.118) 19.713 19.959 ( -14.108 10.314 1.953) 17.584 20.332 ( 9.978 -2.115 -2.577) 10.520 21.265 ( 10.846 20.991 1.649) 23.684 21.409 ( 8.559 0.113 0.000) 8.560 21.797 ( -1.999 -16.684 -7.263) 18.306 23.659 ( -0.678 3.189 -3.257) 4.609 23.878 ( -2.491 -1.168 2.556) 3.755 24.059 ( -2.259 -0.892 2.640) 3.587 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -9.745 -2.974 1.995) 10.382 2.109 ( -21.776 17.216 -2.160) 27.843 2.261 ( 6.072 -1.466 -1.616) 6.452 2.558 ( -10.701 -17.750 1.353) 20.771 2.950 ( 8.232 -2.219 4.155) 9.484 3.190 ( -0.650 1.251 3.033) 3.344 3.415 ( -1.071 -2.118 0.622) 2.453 3.524 ( 0.860 1.115 0.368) 1.455 3.893 ( -3.621 -0.716 3.091) 4.815 4.076 ( -6.596 -7.228 0.908) 9.828 4.251 ( -9.906 4.714 2.539) 11.261 4.530 ( -2.097 -7.336 2.201) 7.941 4.663 ( 9.058 0.310 -2.991) 9.544 5.382 ( 7.763 1.862 -3.445) 8.695 5.452 ( 10.342 4.324 -1.558) 11.317 5.636 ( 0.537 5.520 0.187) 5.549 5.828 ( 4.211 2.319 -3.603) 6.008 6.219 ( -10.510 -1.334 -0.212) 10.596 6.398 ( 3.234 1.978 -0.334) 3.805 6.659 ( 9.665 12.575 -4.918) 16.605 7.028 ( -5.704 -7.589 3.945) 10.280 7.281 ( -8.837 2.202 0.863) 9.148 7.628 ( -7.703 -9.068 -7.221) 13.918 8.173 ( 13.162 -1.062 6.841) 14.871 8.537 ( 1.325 2.877 -0.158) 3.172 8.733 ( 3.687 -0.197 0.368) 3.711 9.050 ( 0.256 -1.375 2.724) 3.062 9.224 ( -2.071 2.471 -1.692) 3.642 9.515 ( -5.778 5.592 -4.757) 9.342 9.753 ( 5.411 -6.006 3.767) 8.918 11.417 ( -4.774 -3.895 0.325) 6.170 11.493 ( -5.548 -1.066 1.997) 5.992 11.646 ( -3.423 -6.862 -1.767) 7.869 11.864 ( -2.158 3.422 2.680) 4.853 12.010 ( -2.221 0.860 1.151) 2.645 12.455 ( 7.676 3.127 -5.995) 10.230 12.879 ( 1.078 -3.011 4.186) 5.268 13.003 ( 4.592 3.005 -10.661) 11.991 13.641 ( 9.875 10.811 4.013) 15.182 13.905 ( -8.390 -12.002 3.891) 15.152 13.925 ( -5.554 2.694 1.351) 6.318 14.269 ( 7.946 -2.135 1.874) 8.438 18.018 ( -4.008 -4.128 0.603) 5.785 18.705 ( -1.461 2.605 -1.059) 3.169 18.871 ( -19.402 1.687 3.691) 19.822 19.631 ( -22.474 -0.216 1.203) 22.507 19.961 ( 27.856 -1.857 -2.793) 28.057 20.587 ( 15.011 0.432 -1.576) 15.100 21.391 ( 4.086 -6.636 -1.997) 8.045 21.501 ( -5.029 -7.365 -13.763) 16.400 21.918 ( 19.236 24.455 4.708) 31.468 23.586 ( -9.142 4.677 -2.363) 10.537 23.803 ( -4.081 -0.439 -0.692) 4.162 24.041 ( -0.314 -8.483 5.883) 10.328 ======================= Grid point 103 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 -2.558 6.734) 7.203 1.860 ( -0.000 -4.242 9.078) 10.020 2.511 ( 0.000 1.244 -1.374) 1.853 2.821 ( 0.000 15.741 -5.927) 16.819 3.039 ( 0.000 3.610 -2.207) 4.231 3.277 ( -0.000 7.375 6.599) 9.896 3.576 ( 0.000 -3.500 -3.034) 4.632 3.644 ( 0.000 6.678 -3.573) 7.573 4.018 ( -0.000 -2.370 5.232) 5.744 4.150 ( -0.000 -2.933 -1.682) 3.381 4.318 ( 0.000 7.195 5.791) 9.236 4.757 ( -0.000 -6.659 -3.339) 7.449 4.779 ( -0.000 -8.775 -0.883) 8.820 5.121 ( 0.000 10.955 -2.443) 11.224 5.188 ( -0.000 -4.847 -2.853) 5.624 5.402 ( -0.000 -3.563 7.076) 7.922 5.955 ( 0.000 13.601 -3.165) 13.964 6.043 ( -0.000 -2.120 0.841) 2.281 6.285 ( 0.000 -7.425 -9.409) 11.986 6.524 ( -0.000 -6.182 2.476) 6.659 6.660 ( 0.000 -0.151 -2.861) 2.865 7.372 ( -0.000 -6.032 11.918) 13.357 7.734 ( -0.000 6.212 7.819) 9.986 8.376 ( 0.000 5.253 -7.421) 9.092 8.710 ( -0.000 -12.523 1.406) 12.602 8.752 ( 0.000 11.679 -13.105) 17.554 8.952 ( 0.000 4.909 -1.343) 5.090 9.210 ( -0.000 -1.648 7.579) 7.756 9.224 ( -0.000 -7.020 0.750) 7.060 10.054 ( 0.000 -0.870 -2.020) 2.200 11.221 ( 0.000 17.874 -4.828) 18.514 11.650 ( -0.000 -0.966 2.475) 2.657 11.782 ( -0.000 -1.409 1.046) 1.755 11.844 ( 0.000 13.790 -1.103) 13.835 12.217 ( -0.000 -2.062 12.951) 13.115 12.316 ( -0.000 -6.608 1.171) 6.711 12.526 ( -0.000 -16.021 -8.797) 18.277 13.032 ( 0.000 11.963 0.558) 11.976 13.319 ( 0.000 -3.296 -9.824) 10.362 13.908 ( -0.000 -0.158 2.032) 2.038 14.150 ( 0.000 0.897 -0.991) 1.337 14.809 ( -0.000 -18.011 7.043) 19.339 18.051 ( 0.000 1.177 -1.604) 1.990 18.526 ( 0.000 2.958 0.568) 3.012 19.056 ( 0.000 25.670 3.412) 25.895 19.331 ( 0.000 12.050 1.427) 12.134 20.396 ( -0.000 -11.056 -4.397) 11.898 20.414 ( -0.000 -16.680 -0.401) 16.685 20.469 ( 0.000 13.105 -8.666) 15.711 21.700 ( -0.000 -1.346 -0.197) 1.360 22.004 ( -0.000 -21.500 5.015) 22.077 23.416 ( -0.000 1.233 5.467) 5.605 23.743 ( 0.000 3.127 -0.010) 3.128 24.281 ( 0.000 7.381 -4.156) 8.471 ======================= Grid point 104 (41/65) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 24.552 -3.813 6.187) 25.605 1.893 ( 2.085 -4.993 9.592) 11.013 2.401 ( -7.642 -0.324 -5.820) 9.611 2.857 ( -7.335 13.624 -4.678) 16.164 3.079 ( 2.435 0.108 -0.825) 2.573 3.328 ( -3.848 -1.559 2.598) 4.898 3.499 ( -2.839 -1.669 -2.315) 4.025 3.650 ( -1.748 0.912 -4.905) 5.286 4.068 ( 2.771 2.278 1.428) 3.861 4.080 ( 3.280 -6.022 -3.874) 7.876 4.419 ( -2.623 9.832 2.606) 10.505 4.593 ( -3.604 -9.903 -0.040) 10.539 4.770 ( 1.922 -4.279 -3.023) 5.581 5.038 ( -8.334 5.767 1.627) 10.264 5.250 ( 1.435 5.828 2.726) 6.592 5.527 ( 7.786 -4.062 5.909) 10.585 5.858 ( -9.347 -8.432 1.641) 12.695 6.116 ( 3.692 12.123 -3.525) 13.154 6.192 ( 0.242 6.368 -8.541) 10.656 6.476 ( 3.389 -8.747 -0.212) 9.383 6.873 ( 17.403 2.955 2.392) 17.814 7.374 ( -2.241 -8.156 10.432) 13.430 7.799 ( -3.929 0.811 7.527) 8.529 8.316 ( -6.213 6.087 -8.841) 12.402 8.599 ( -1.149 -8.891 1.497) 9.089 8.761 ( 0.558 4.697 -11.614) 12.540 8.999 ( 1.101 4.670 0.011) 4.798 9.136 ( -0.216 -1.306 2.167) 2.539 9.312 ( 2.819 -1.186 4.747) 5.647 9.966 ( -6.222 -0.550 -2.141) 6.603 11.411 ( 5.087 13.495 -3.218) 14.777 11.614 ( -2.287 -2.230 0.454) 3.226 11.769 ( 1.265 -1.577 -1.157) 2.329 11.993 ( 2.639 5.716 0.568) 6.322 12.149 ( -7.174 0.383 4.949) 8.724 12.253 ( -0.853 -16.132 -4.658) 16.813 12.491 ( 7.324 1.824 9.042) 11.778 13.138 ( -1.509 9.985 -7.822) 12.774 13.226 ( 1.110 -1.136 -0.940) 1.846 13.936 ( 2.514 -1.062 1.174) 2.971 14.136 ( -2.509 2.341 -1.009) 3.577 14.615 ( -6.778 -15.704 2.162) 17.240 18.078 ( 3.526 0.701 -2.254) 4.243 18.576 ( 1.592 2.683 1.365) 3.405 19.191 ( -4.523 11.850 1.791) 12.809 19.653 ( 15.983 14.585 0.454) 21.643 19.944 ( -17.081 -17.214 -0.302) 24.252 20.345 ( 2.633 -11.616 -0.482) 11.921 20.799 ( 12.366 25.271 -4.922) 28.562 21.581 ( -10.632 -0.864 -0.300) 10.671 21.847 ( -0.759 -18.636 5.747) 19.517 23.512 ( 5.960 -0.806 3.332) 6.875 23.792 ( 2.770 0.732 1.198) 3.106 24.267 ( -4.746 4.665 -4.428) 7.993 ======================= Grid point 105 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.442 -6.428 4.699) 8.329 2.143 ( 19.695 -1.437 6.382) 20.753 2.252 ( 1.977 -1.122 -5.640) 6.081 2.772 ( -13.937 13.458 -3.074) 19.617 3.010 ( -8.319 -16.856 -3.772) 19.172 3.196 ( -1.936 2.680 -0.290) 3.319 3.434 ( -2.385 -0.780 1.007) 2.704 3.588 ( -0.165 -2.294 -3.574) 4.250 4.005 ( -1.505 -3.227 -0.436) 3.588 4.233 ( 9.510 -1.982 -2.231) 9.968 4.388 ( -9.821 -2.027 2.084) 10.242 4.497 ( 1.205 0.278 -0.519) 1.341 4.665 ( -5.046 -3.687 -1.019) 6.332 5.114 ( 3.751 12.613 0.448) 13.166 5.315 ( -1.730 0.372 3.761) 4.157 5.598 ( 2.445 -3.648 2.000) 4.826 5.731 ( 0.048 1.108 0.498) 1.216 6.257 ( 3.318 8.525 -1.160) 9.221 6.324 ( 7.490 12.114 -2.489) 14.458 6.434 ( -0.323 -6.534 1.215) 6.654 7.233 ( 17.055 -0.745 -2.797) 17.299 7.279 ( -4.910 -5.476 7.345) 10.394 7.725 ( -7.165 -6.584 5.670) 11.262 8.156 ( -9.371 3.416 -7.217) 12.311 8.530 ( -0.057 -3.680 1.003) 3.814 8.711 ( -1.777 2.434 -4.606) 5.505 9.061 ( 0.545 2.609 0.277) 2.679 9.227 ( 8.607 -1.422 0.334) 8.730 9.359 ( -1.715 5.805 3.399) 6.942 9.839 ( -4.625 -2.703 -1.591) 5.588 11.493 ( -1.434 0.213 -1.505) 2.090 11.587 ( -0.123 -1.073 0.476) 1.180 11.763 ( -0.567 -2.536 -1.261) 2.888 11.975 ( 0.555 -6.614 0.194) 6.640 12.055 ( -3.481 -4.868 -2.741) 6.583 12.226 ( 3.094 9.066 0.639) 9.600 12.723 ( 5.521 1.864 14.422) 15.555 13.034 ( -2.459 -0.772 -11.802) 12.080 13.369 ( 4.668 12.340 1.961) 13.338 13.989 ( 4.702 -2.068 0.117) 5.138 14.094 ( -4.185 1.147 -0.433) 4.361 14.325 ( -10.355 -11.444 -1.512) 15.507 18.113 ( 1.011 -1.607 -1.140) 2.215 18.651 ( 2.684 2.899 0.937) 4.061 19.241 ( 8.662 -9.296 -2.211) 12.897 19.556 ( -19.302 5.852 2.269) 20.297 20.012 ( 16.773 -7.059 -2.465) 18.364 20.270 ( -7.042 7.699 2.401) 10.706 21.284 ( 15.950 21.575 2.023) 26.907 21.394 ( -8.136 1.398 0.906) 8.305 21.682 ( -3.717 -11.606 0.966) 12.225 23.621 ( 5.306 -0.295 0.214) 5.319 23.855 ( 3.399 -3.317 3.022) 5.629 24.153 ( -7.473 0.886 -3.998) 8.522 ======================= Grid point 106 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -2.155 -3.733 0.000) 4.311 2.182 ( -0.077 -0.133 0.000) 0.154 2.508 ( -3.920 -6.789 0.000) 7.840 2.573 ( -7.368 -12.761 0.000) 14.735 2.724 ( 5.107 8.846 -0.000) 10.214 3.242 ( 1.353 2.343 0.000) 2.705 3.402 ( -1.094 -1.896 0.000) 2.189 3.545 ( -0.614 -1.063 0.000) 1.227 3.945 ( -1.807 -3.129 -0.000) 3.613 4.119 ( -7.389 -12.799 0.000) 14.779 4.343 ( -0.017 -0.030 0.000) 0.034 4.526 ( 0.946 1.638 0.000) 1.891 4.581 ( -1.050 -1.818 0.000) 2.100 5.311 ( 1.285 2.226 0.000) 2.570 5.350 ( 7.405 12.826 0.000) 14.810 5.671 ( 3.606 6.246 0.000) 7.212 5.788 ( 1.670 2.893 0.000) 3.340 6.320 ( -4.477 -7.755 0.000) 8.955 6.372 ( 2.224 3.852 -0.000) 4.448 6.606 ( 8.515 14.748 0.000) 17.030 7.054 ( -6.974 -12.079 0.000) 13.947 7.477 ( 2.367 4.101 -0.000) 4.735 7.516 ( -7.449 -12.902 0.000) 14.898 8.082 ( 2.854 4.944 0.000) 5.709 8.548 ( 1.665 2.883 -0.000) 3.330 8.697 ( 0.381 0.660 0.000) 0.762 9.049 ( -2.063 -3.573 0.000) 4.126 9.272 ( -0.426 -0.737 0.000) 0.851 9.515 ( 5.908 10.233 0.000) 11.816 9.724 ( -3.184 -5.514 0.000) 6.367 11.441 ( -1.633 -2.828 0.000) 3.266 11.543 ( -1.977 -3.424 0.000) 3.954 11.631 ( -5.411 -9.372 -0.000) 10.822 11.930 ( -0.463 -0.802 0.000) 0.926 12.032 ( 0.791 1.370 -0.000) 1.582 12.376 ( 4.197 7.269 0.000) 8.393 12.876 ( -2.333 -4.041 0.000) 4.666 12.925 ( 2.331 4.037 -0.000) 4.661 13.623 ( 7.706 13.348 0.000) 15.413 13.931 ( -7.195 -12.462 -0.000) 14.390 14.040 ( 0.058 0.100 0.000) 0.116 14.150 ( 0.266 0.461 -0.000) 0.533 18.032 ( -4.277 -7.408 0.000) 8.553 18.725 ( 1.711 2.964 0.000) 3.422 19.193 ( -2.859 -4.951 0.000) 5.717 19.569 ( 7.230 12.523 0.000) 14.461 19.914 ( -8.195 -14.194 0.000) 16.390 20.369 ( 3.257 5.641 -0.000) 6.514 21.313 ( -1.971 -3.413 0.000) 3.941 21.459 ( -3.404 -5.895 0.000) 6.807 21.890 ( 16.036 27.774 0.000) 32.071 23.686 ( 1.138 1.970 0.000) 2.275 23.844 ( -2.535 -4.390 0.000) 5.070 24.009 ( -3.289 -5.697 0.000) 6.579 ======================= Grid point 113 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 -4.345 8.587) 9.624 1.891 ( -0.000 -8.263 9.113) 12.302 2.411 ( 0.000 -0.450 -8.547) 8.559 2.943 ( 0.000 5.551 -6.575) 8.604 3.104 ( 0.000 2.483 1.962) 3.165 3.329 ( -0.000 -8.125 0.512) 8.142 3.462 ( 0.000 0.738 -6.941) 6.980 3.709 ( 0.000 3.393 -2.158) 4.021 3.878 ( -0.000 -8.038 -6.021) 10.043 4.044 ( 0.000 -0.606 -5.651) 5.683 4.436 ( -0.000 -11.158 -0.365) 11.164 4.669 ( 0.000 1.937 -3.781) 4.248 4.671 ( 0.000 7.970 1.737) 8.157 5.253 ( -0.000 6.073 8.976) 10.837 5.336 ( -0.000 2.362 6.095) 6.537 5.465 ( -0.000 -1.242 6.796) 6.909 5.910 ( -0.000 -5.944 -0.357) 5.954 6.113 ( 0.000 2.782 -3.500) 4.471 6.240 ( 0.000 11.990 -3.443) 12.475 6.314 ( 0.000 -1.165 -3.896) 4.067 6.795 ( -0.000 1.832 7.345) 7.571 7.392 ( -0.000 -8.786 9.513) 12.950 7.857 ( -0.000 -7.422 5.952) 9.513 8.405 ( 0.000 10.952 -6.487) 12.729 8.541 ( -0.000 -5.847 0.770) 5.897 8.702 ( 0.000 6.045 -13.738) 15.009 9.017 ( 0.000 1.754 -2.031) 2.684 9.141 ( -0.000 -0.831 1.777) 1.962 9.320 ( -0.000 -2.256 8.814) 9.098 10.010 ( 0.000 0.875 -3.722) 3.823 11.460 ( 0.000 10.151 -2.750) 10.517 11.607 ( -0.000 -2.871 -1.865) 3.423 11.684 ( -0.000 -4.903 -3.025) 5.761 12.042 ( 0.000 1.057 0.351) 1.114 12.053 ( -0.000 -16.089 -3.350) 16.434 12.274 ( -0.000 1.750 6.355) 6.591 12.549 ( -0.000 11.065 10.717) 15.404 13.086 ( 0.000 -2.832 -9.493) 9.906 13.318 ( 0.000 11.976 2.877) 12.317 13.904 ( -0.000 -2.360 0.519) 2.416 14.172 ( 0.000 1.464 -0.978) 1.761 14.531 ( -0.000 -11.801 -3.116) 12.205 18.016 ( 0.000 0.134 -4.131) 4.133 18.599 ( -0.000 0.823 3.649) 3.740 19.356 ( -0.000 -7.864 -2.288) 8.190 19.485 ( -0.000 -2.148 -0.220) 2.159 20.082 ( 0.000 4.783 2.814) 5.549 20.212 ( 0.000 1.094 0.412) 1.170 20.936 ( 0.000 27.647 -0.035) 27.647 21.674 ( 0.000 -0.230 -1.155) 1.177 21.753 ( -0.000 -14.340 9.653) 17.286 23.457 ( -0.000 -4.534 4.071) 6.094 23.776 ( -0.000 0.032 0.029) 0.043 24.306 ( 0.000 2.509 -5.661) 6.192 ======================= Grid point 114 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 21.565 -3.823 6.566) 22.864 1.850 ( 3.837 -14.191 4.900) 15.495 2.312 ( -5.510 4.996 -5.693) 9.367 2.917 ( -1.548 -5.960 -9.648) 11.446 3.035 ( -8.264 -2.016 2.034) 8.746 3.221 ( -0.892 -5.142 -1.901) 5.554 3.441 ( -0.039 3.255 -4.968) 5.940 3.565 ( -5.447 -2.880 -1.902) 6.448 3.909 ( 5.360 -4.312 -3.306) 7.633 4.064 ( 7.527 1.207 -5.126) 9.186 4.303 ( 0.772 -14.486 -0.975) 14.540 4.631 ( -2.189 4.478 -3.498) 6.089 4.710 ( -7.075 2.806 0.395) 7.622 5.287 ( -4.779 9.483 7.468) 12.982 5.444 ( -4.474 2.204 6.095) 7.875 5.521 ( 5.741 -1.478 6.137) 8.533 5.797 ( -4.923 2.562 0.037) 5.550 6.187 ( 8.574 -4.894 -1.721) 10.021 6.327 ( 0.678 8.148 -0.505) 8.192 6.416 ( 4.042 11.013 1.316) 11.805 6.965 ( 11.789 0.503 2.401) 12.042 7.327 ( -3.680 -9.238 5.590) 11.408 7.767 ( -2.358 -12.290 4.010) 13.141 8.339 ( -11.943 8.667 -8.392) 16.975 8.511 ( -0.250 -0.453 0.668) 0.845 8.716 ( 2.068 5.093 -5.303) 7.638 9.027 ( 3.003 0.470 -1.946) 3.609 9.169 ( 0.641 2.003 1.741) 2.731 9.392 ( 4.550 -3.062 6.377) 8.411 9.917 ( -7.599 0.739 -3.832) 8.542 11.500 ( -0.979 -2.037 -1.790) 2.883 11.535 ( 0.662 -5.234 -1.943) 5.622 11.690 ( 4.131 0.477 -3.666) 5.544 11.887 ( -0.709 -9.530 -1.831) 9.730 12.018 ( 0.332 -4.179 0.015) 4.192 12.352 ( -2.185 7.993 7.060) 10.887 12.795 ( 4.042 9.410 12.154) 15.894 12.981 ( -1.598 -1.955 -7.505) 7.918 13.464 ( 1.158 13.498 0.467) 13.556 13.898 ( 2.492 -3.051 -0.398) 3.960 14.125 ( -2.916 -6.156 -2.065) 7.118 14.367 ( -5.459 -1.891 -5.561) 8.018 18.026 ( 4.136 -0.808 -3.524) 5.494 18.646 ( 1.821 -0.020 3.240) 3.717 19.053 ( -5.673 -20.406 -2.988) 21.389 19.589 ( 14.806 -15.155 -1.522) 21.242 20.018 ( -16.394 17.868 2.229) 24.352 20.420 ( 4.986 15.915 2.105) 16.810 21.299 ( 9.107 18.518 7.925) 22.105 21.570 ( -9.408 -1.396 1.291) 9.598 21.698 ( -2.515 -1.535 4.652) 5.507 23.490 ( 6.576 -6.087 2.723) 9.366 23.789 ( 2.280 -2.282 0.651) 3.291 24.227 ( -4.990 -0.440 -6.575) 8.266 ======================= Grid point 122 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.000 -7.024 8.373) 10.929 1.667 ( -0.000 -20.244 -2.470) 20.395 2.402 ( 0.000 7.300 -1.127) 7.386 2.813 ( 0.000 -1.530 -12.932) 13.022 2.960 ( -0.000 -25.134 -5.184) 25.663 3.171 ( -0.000 -2.329 6.507) 6.911 3.459 ( 0.000 7.260 -4.776) 8.690 3.681 ( 0.000 -2.486 -3.283) 4.118 3.723 ( 0.000 1.414 -0.637) 1.551 3.961 ( 0.000 0.618 -6.436) 6.465 4.169 ( -0.000 -12.059 0.265) 12.062 4.596 ( 0.000 -0.267 -8.823) 8.827 4.868 ( 0.000 6.851 1.978) 7.131 5.406 ( -0.000 -4.590 6.909) 8.295 5.528 ( -0.000 1.049 6.995) 7.074 5.605 ( -0.000 10.553 11.242) 15.419 5.913 ( 0.000 5.561 -3.381) 6.508 5.995 ( -0.000 -5.493 0.004) 5.493 6.392 ( 0.000 5.809 0.290) 5.816 6.533 ( 0.000 14.359 3.692) 14.826 6.886 ( -0.000 0.143 1.492) 1.499 7.301 ( -0.000 -10.148 3.293) 10.669 7.655 ( -0.000 -13.569 -0.763) 13.591 8.463 ( -0.000 -1.185 0.021) 1.185 8.633 ( 0.000 12.440 0.546) 12.452 8.650 ( 0.000 6.199 -7.559) 9.775 8.997 ( 0.000 1.955 -2.096) 2.866 9.205 ( 0.000 3.141 0.657) 3.209 9.302 ( -0.000 -11.587 5.256) 12.723 9.983 ( 0.000 2.412 -4.050) 4.714 11.412 ( -0.000 -9.636 -1.064) 9.695 11.485 ( -0.000 -5.800 -2.969) 6.516 11.634 ( 0.000 2.277 -2.191) 3.159 11.812 ( 0.000 -2.518 -2.535) 3.573 11.965 ( -0.000 -5.486 0.394) 5.500 12.513 ( -0.000 4.576 12.307) 13.131 12.936 ( 0.000 -0.721 -4.153) 4.215 12.961 ( 0.000 14.276 8.379) 16.553 13.578 ( 0.000 13.269 -3.488) 13.719 13.841 ( -0.000 -3.445 -0.591) 3.495 14.032 ( -0.000 -11.363 -6.070) 12.883 14.390 ( 0.000 4.934 -4.727) 6.833 17.949 ( 0.000 -0.021 -4.262) 4.262 18.633 ( -0.000 -4.069 3.339) 5.263 18.880 ( -0.000 -26.464 -3.091) 26.644 19.293 ( -0.000 -11.662 0.212) 11.664 20.435 ( 0.000 16.184 0.333) 16.188 20.497 ( 0.000 23.820 2.022) 23.906 21.465 ( -0.000 7.890 20.323) 21.801 21.659 ( 0.000 0.965 -1.564) 1.837 21.783 ( 0.000 8.814 3.634) 9.533 23.366 ( -0.000 -9.788 3.077) 10.260 23.746 ( -0.000 -3.012 0.043) 3.013 24.200 ( 0.000 -2.396 -8.769) 9.090 ======================= Grid point 151 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 0.000 17.801) 17.801 1.050 ( -0.000 0.000 17.801) 17.801 1.849 ( -0.000 0.000 31.000) 31.000 2.317 ( 0.000 -0.000 -27.165) 27.165 2.767 ( 0.000 0.000 -0.547) 0.547 2.767 ( 0.000 -0.000 -0.547) 0.547 3.682 ( -0.000 0.000 1.096) 1.096 3.682 ( 0.000 0.000 1.096) 1.096 4.004 ( -0.000 0.000 7.114) 7.114 4.004 ( -0.000 0.000 7.114) 7.114 4.337 ( -0.000 0.000 9.773) 9.773 4.966 ( 0.000 -0.000 -3.978) 3.978 4.966 ( 0.000 -0.000 -3.978) 3.978 5.100 ( -0.000 0.000 14.497) 14.497 5.458 ( -0.000 0.000 0.037) 0.037 5.730 ( 0.000 -0.000 -13.395) 13.395 5.730 ( 0.000 -0.000 -13.395) 13.395 6.096 ( -0.000 0.000 0.452) 0.452 6.096 ( 0.000 0.000 0.452) 0.452 6.698 ( 0.000 -0.000 -2.262) 2.262 7.267 ( -0.000 0.000 6.373) 6.373 7.267 ( -0.000 0.000 6.373) 6.373 7.325 ( 0.000 -0.000 -13.807) 13.807 8.286 ( 0.000 -0.000 -6.836) 6.836 8.286 ( 0.000 -0.000 -6.836) 6.836 8.929 ( 0.000 -0.000 -6.558) 6.558 9.174 ( -0.000 0.000 8.014) 8.014 9.174 ( -0.000 0.000 8.014) 8.014 9.571 ( -0.000 0.000 0.389) 0.389 10.628 ( -0.000 0.000 7.533) 7.533 10.711 ( 0.000 -0.000 -10.156) 10.156 10.711 ( 0.000 -0.000 -10.156) 10.156 11.666 ( -0.000 0.000 3.569) 3.569 11.666 ( -0.000 0.000 3.569) 3.569 12.240 ( -0.000 0.000 8.644) 8.644 12.240 ( -0.000 0.000 8.644) 8.644 12.915 ( 0.000 -0.000 -6.676) 6.676 13.381 ( 0.000 -0.000 -8.231) 8.231 13.381 ( 0.000 -0.000 -8.231) 8.231 13.811 ( -0.000 0.000 4.315) 4.315 14.363 ( 0.000 -0.000 -6.128) 6.128 15.618 ( -0.000 0.000 10.077) 10.077 17.912 ( -0.000 0.000 0.878) 0.878 17.912 ( -0.000 0.000 0.878) 0.878 18.275 ( -0.000 0.000 0.282) 0.282 19.076 ( 0.000 -0.000 -0.952) 0.952 19.076 ( 0.000 -0.000 -0.952) 0.952 21.047 ( -0.000 0.000 0.010) 0.010 21.793 ( -0.000 0.000 1.452) 1.452 21.793 ( -0.000 0.000 1.452) 1.452 22.610 ( -0.000 0.000 3.527) 3.527 23.535 ( 0.000 -0.000 -0.237) 0.237 23.535 ( 0.000 -0.000 -0.237) 0.237 23.651 ( 0.000 -0.000 -6.905) 6.905 ======================= Grid point 152 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 13.843 7.992 12.020) 20.000 1.448 ( 22.044 12.727 12.713) 28.452 2.016 ( -1.551 -0.895 19.932) 20.012 2.192 ( 6.465 3.733 -22.458) 23.667 2.650 ( -4.555 -2.630 0.818) 5.323 3.003 ( 13.514 7.802 1.613) 15.688 3.592 ( -5.561 -3.210 1.124) 6.518 3.714 ( -1.151 -0.665 -1.525) 2.023 4.005 ( -3.548 -2.048 8.094) 9.072 4.058 ( -1.514 -0.874 6.748) 6.970 4.366 ( -3.099 -1.789 9.581) 10.228 4.839 ( -9.773 -5.643 2.987) 11.674 4.852 ( -4.037 -2.331 -0.536) 4.692 5.340 ( 10.380 5.993 2.037) 12.157 5.499 ( 3.664 2.116 -2.643) 4.989 5.612 ( -0.722 -0.417 -10.124) 10.158 5.640 ( 1.074 0.620 -13.911) 13.966 6.030 ( -4.551 -2.627 -0.344) 5.266 6.191 ( 5.266 3.040 1.268) 6.211 6.619 ( -5.290 -3.054 -2.252) 6.510 7.185 ( -1.924 -1.111 -12.024) 12.227 7.354 ( 3.446 1.990 7.821) 8.775 7.374 ( 3.502 2.022 9.947) 10.738 8.255 ( 1.602 0.925 -7.865) 8.079 8.317 ( 6.234 3.599 -9.279) 11.744 8.883 ( -0.150 -0.087 -4.773) 4.776 9.208 ( -0.155 -0.090 6.438) 6.440 9.217 ( -2.358 -1.361 6.260) 6.826 9.498 ( -6.174 -3.565 1.155) 7.222 10.214 ( -16.315 -9.419 -0.414) 18.843 10.712 ( 6.449 3.723 -8.286) 11.140 11.145 ( 19.500 11.258 -1.838) 22.592 11.691 ( -0.816 -0.471 3.977) 4.088 11.700 ( 0.855 0.493 2.432) 2.624 12.302 ( -1.143 -0.660 7.855) 7.965 12.306 ( 1.156 0.668 7.443) 7.562 12.805 ( -4.754 -2.745 -5.488) 7.762 13.272 ( -4.749 -2.742 -8.905) 10.458 13.354 ( 3.562 2.056 -8.657) 9.584 13.855 ( 1.172 0.677 3.971) 4.195 14.275 ( -3.537 -2.042 -4.638) 6.180 15.445 ( -17.938 -10.356 14.045) 25.026 17.886 ( -1.406 -0.812 1.300) 2.080 18.128 ( 14.549 8.400 1.881) 16.905 18.342 ( 5.667 3.272 -0.166) 6.546 19.120 ( 2.934 1.694 -0.882) 3.501 19.371 ( 24.800 14.318 -11.478) 30.851 20.971 ( -6.748 -3.896 -0.040) 7.792 21.541 ( -20.525 -11.850 1.566) 23.752 21.752 ( -3.332 -1.924 1.452) 4.113 22.677 ( -0.029 -0.017 -0.254) 0.256 23.449 ( 2.234 1.290 2.827) 3.827 23.575 ( 3.299 1.905 -0.182) 3.814 23.751 ( 4.864 2.808 -5.039) 7.546 ======================= Grid point 153 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 6.162 3.558 0.208) 7.118 1.917 ( 5.664 3.270 13.100) 14.642 2.209 ( 11.803 6.815 5.334) 14.636 2.321 ( 14.846 8.571 -8.364) 19.074 2.605 ( -0.151 -0.087 5.558) 5.561 3.306 ( 9.201 5.312 3.100) 11.067 3.463 ( -6.198 -3.578 1.577) 7.329 3.632 ( -1.401 -0.809 -5.924) 6.141 3.954 ( -5.762 -3.327 7.613) 10.111 4.033 ( -5.018 -2.897 5.773) 8.179 4.372 ( -0.034 -0.020 3.305) 3.305 4.627 ( -9.819 -5.669 4.030) 12.033 4.782 ( -4.442 -2.565 4.802) 7.026 5.470 ( 4.229 2.441 -12.285) 13.220 5.546 ( 1.286 0.743 -10.344) 10.450 5.617 ( 7.745 4.472 -6.063) 10.804 5.660 ( 7.539 4.353 2.568) 9.076 5.904 ( -4.807 -2.775 -3.212) 6.412 6.293 ( 1.605 0.926 2.686) 3.263 6.448 ( -7.780 -4.492 -2.896) 9.438 7.078 ( -0.711 -0.411 -8.886) 8.924 7.529 ( 0.992 0.573 14.693) 14.738 7.551 ( 7.665 4.425 10.087) 13.420 8.237 ( 2.526 1.459 -8.753) 9.226 8.369 ( 4.811 2.778 -11.481) 12.755 8.854 ( -0.550 -0.318 -0.871) 1.078 9.097 ( -10.603 -6.121 0.200) 12.244 9.299 ( 4.927 2.845 2.949) 6.408 9.379 ( -4.508 -2.603 2.204) 5.653 9.942 ( -7.746 -4.472 0.855) 8.985 10.866 ( 10.942 6.317 -4.632) 13.456 11.492 ( 9.196 5.309 2.776) 10.975 11.686 ( -2.495 -1.440 4.548) 5.384 11.757 ( 5.372 3.101 -2.148) 6.564 12.308 ( -3.153 -1.820 6.652) 7.583 12.399 ( 2.103 1.214 6.521) 6.958 12.662 ( -3.911 -2.258 -3.190) 5.529 13.049 ( -7.689 -4.439 -10.243) 13.555 13.376 ( 3.634 2.098 -8.429) 9.416 13.926 ( 2.696 1.557 3.022) 4.339 14.153 ( -4.509 -2.603 -2.430) 5.746 15.115 ( -19.619 -11.327 13.041) 26.139 17.871 ( -1.071 -0.618 2.510) 2.799 18.504 ( 8.182 4.724 -1.451) 9.559 18.565 ( 21.360 12.332 3.570) 24.921 19.207 ( 5.583 3.223 -0.634) 6.478 19.863 ( 26.291 15.179 -15.440) 34.059 20.740 ( -13.037 -7.527 -0.163) 15.055 20.996 ( -26.587 -15.350 0.973) 30.716 21.687 ( -2.906 -1.678 1.478) 3.666 22.565 ( -6.186 -3.572 -5.220) 8.847 23.661 ( 9.739 5.623 7.787) 13.679 23.663 ( 4.127 2.382 -0.086) 4.766 23.773 ( 0.542 0.313 -4.612) 4.655 ======================= Grid point 154 (50/65) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -2.140 -1.236 -8.387) 8.744 2.059 ( 1.850 1.068 10.591) 10.804 2.365 ( -2.465 -1.423 -3.523) 4.529 2.547 ( 3.670 2.119 8.613) 9.599 2.824 ( 14.198 8.197 3.764) 16.820 3.358 ( -3.465 -2.001 1.720) 4.355 3.434 ( 1.049 0.605 3.291) 3.507 3.614 ( 2.167 1.251 -5.570) 6.106 3.894 ( -3.457 -1.996 6.528) 7.652 3.917 ( -8.200 -4.734 4.496) 10.481 4.461 ( 7.238 4.179 -0.036) 8.358 4.507 ( -3.574 -2.063 5.753) 7.080 4.677 ( -7.703 -4.448 2.904) 9.357 5.483 ( 4.604 2.658 -8.469) 9.999 5.489 ( 1.879 1.085 -10.866) 11.081 5.710 ( -4.951 -2.859 -3.315) 6.609 5.818 ( 10.328 5.963 0.141) 11.926 5.910 ( 6.654 3.842 -0.046) 7.684 6.237 ( -5.779 -3.336 -6.892) 9.593 6.303 ( -1.566 -0.904 1.247) 2.196 7.004 ( -0.929 -0.536 -6.473) 6.561 7.606 ( -4.048 -2.337 12.248) 13.110 7.814 ( 5.689 3.285 13.398) 14.922 8.244 ( 4.954 2.860 -10.639) 12.080 8.387 ( 3.928 2.268 -6.582) 7.994 8.764 ( -10.732 -6.196 1.374) 12.468 8.909 ( -0.383 -0.221 -0.967) 1.063 9.285 ( -4.411 -2.547 -1.134) 5.218 9.438 ( 5.550 3.204 -1.635) 6.614 9.862 ( -1.417 -0.818 4.093) 4.408 11.119 ( 12.456 7.191 -0.493) 14.391 11.583 ( -1.336 -0.771 3.874) 4.170 11.646 ( -4.321 -2.495 5.344) 7.311 11.931 ( 8.956 5.171 -2.071) 10.547 12.240 ( -7.408 -4.277 4.570) 9.698 12.453 ( 0.561 0.324 -2.739) 2.815 12.652 ( 2.737 1.580 7.502) 8.140 12.822 ( -3.090 -1.784 -11.570) 12.108 13.386 ( 2.747 1.586 -7.745) 8.370 14.001 ( 0.215 0.124 -1.220) 1.245 14.060 ( -0.505 -0.292 2.037) 2.119 14.756 ( -19.045 -10.996 9.216) 23.845 17.878 ( -0.332 -0.192 3.823) 3.842 18.648 ( 5.256 3.034 -3.060) 6.797 19.098 ( 20.903 12.069 2.559) 24.272 19.372 ( 8.456 4.882 -0.079) 9.765 20.307 ( 6.452 3.725 -2.168) 7.760 20.412 ( -14.046 -8.110 -0.336) 16.223 20.447 ( -4.993 -2.883 -6.239) 8.495 21.649 ( -1.480 -0.855 1.522) 2.289 22.356 ( -7.118 -4.109 -9.839) 12.820 23.709 ( -2.908 -1.679 -4.967) 5.996 23.744 ( 2.672 1.543 -0.008) 3.085 23.930 ( 7.218 4.167 9.722) 12.806 ======================= Grid point 155 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -5.086 -2.937 -10.708) 12.213 2.063 ( -16.260 -9.388 4.549) 19.319 2.239 ( 6.417 3.705 -3.832) 8.342 2.695 ( 1.638 0.945 14.503) 14.626 3.123 ( 8.702 5.024 0.448) 10.058 3.331 ( -11.808 -6.818 0.849) 13.662 3.346 ( 1.055 0.609 2.209) 2.523 3.662 ( 2.969 1.714 1.588) 3.779 3.762 ( -7.255 -4.188 4.012) 9.288 3.906 ( 0.099 0.057 5.351) 5.352 4.438 ( -11.088 -6.402 -0.796) 12.828 4.528 ( 0.257 0.148 7.256) 7.262 4.697 ( 9.337 5.390 -0.004) 10.781 5.498 ( 6.500 3.753 -10.882) 13.220 5.522 ( 0.989 0.571 -7.873) 7.956 5.580 ( -1.773 -1.023 -3.261) 3.850 5.890 ( -5.439 -3.140 0.756) 6.326 6.018 ( 3.536 2.042 3.775) 5.561 6.275 ( 12.390 7.153 -7.084) 15.965 6.284 ( 1.904 1.099 -1.383) 2.597 6.935 ( -1.320 -0.762 -4.657) 4.900 7.515 ( -8.280 -4.780 2.040) 9.776 7.881 ( -8.006 -4.622 6.951) 11.566 8.356 ( 10.333 5.966 -4.799) 12.861 8.480 ( 5.180 2.990 3.399) 6.879 8.566 ( -4.623 -2.669 -1.369) 5.511 8.944 ( 0.912 0.527 4.142) 4.273 9.195 ( -1.081 -0.624 -2.858) 3.119 9.473 ( -1.199 -0.692 -4.664) 4.865 9.906 ( 1.491 0.861 4.897) 5.191 11.394 ( 9.789 5.652 2.643) 11.608 11.554 ( -3.025 -1.746 2.617) 4.364 11.576 ( -4.889 -2.823 5.716) 8.033 12.024 ( -11.926 -6.885 -0.209) 13.772 12.037 ( -0.363 -0.209 1.147) 1.221 12.465 ( 5.671 3.274 -9.672) 11.680 12.792 ( 7.359 4.249 -9.851) 13.010 12.828 ( 4.244 2.450 11.736) 12.718 13.404 ( 4.089 2.361 -4.564) 6.567 13.922 ( -3.644 -2.104 -1.097) 4.349 14.137 ( 1.596 0.922 2.147) 2.829 14.423 ( -13.245 -7.647 6.234) 16.516 17.911 ( 0.232 0.134 4.567) 4.575 18.690 ( 0.889 0.513 -3.889) 4.022 19.308 ( -10.158 -5.865 1.533) 11.830 19.480 ( -2.530 -1.461 0.209) 2.929 20.128 ( 7.038 4.063 -0.032) 8.127 20.223 ( 1.280 0.739 -0.488) 1.556 20.929 ( 27.332 15.780 -0.757) 31.569 21.641 ( -0.281 -0.162 1.561) 1.595 22.078 ( -8.722 -5.036 -17.065) 19.815 23.567 ( -6.117 -3.532 -5.011) 8.660 23.776 ( 0.040 0.023 0.009) 0.047 24.120 ( 2.646 1.528 10.226) 10.673 ======================= Grid point 160 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.000 0.207 10.527) 10.529 1.677 ( 0.000 28.236 10.924) 30.275 2.075 ( 0.000 16.003 -19.150) 24.956 2.115 ( -0.000 -7.700 12.491) 14.673 2.837 ( 0.000 9.371 6.318) 11.302 2.865 ( 0.000 5.834 -2.709) 6.432 3.605 ( -0.000 -5.168 -0.267) 5.174 3.727 ( -0.000 -0.867 0.466) 0.984 4.071 ( -0.000 -3.386 9.117) 9.725 4.121 ( -0.000 -0.303 6.260) 6.268 4.426 ( -0.000 -6.111 8.135) 10.175 4.830 ( -0.000 -3.284 0.481) 3.319 4.955 ( 0.000 0.202 -0.167) 0.262 5.259 ( -0.000 -4.215 -0.096) 4.216 5.452 ( 0.000 -2.779 -4.058) 4.918 5.513 ( 0.000 -1.893 -4.953) 5.302 5.554 ( 0.000 4.716 -10.280) 11.310 6.054 ( -0.000 -3.471 -2.439) 4.242 6.216 ( 0.000 10.040 3.464) 10.621 6.637 ( 0.000 -2.604 -2.276) 3.458 7.042 ( 0.000 -5.914 -13.922) 15.126 7.416 ( -0.000 0.508 11.986) 11.997 7.421 ( -0.000 3.555 8.882) 9.567 8.217 ( 0.000 4.461 -8.408) 9.518 8.271 ( 0.000 10.740 -10.441) 14.979 8.852 ( 0.000 1.206 -4.468) 4.628 9.203 ( -0.000 -7.906 5.476) 9.618 9.276 ( -0.000 -2.311 6.361) 6.768 9.503 ( -0.000 -6.840 0.843) 6.892 10.262 ( -0.000 -12.770 -1.838) 12.901 10.652 ( 0.000 9.634 -8.945) 13.146 11.112 ( 0.000 21.278 -0.386) 21.281 11.720 ( -0.000 -0.911 3.012) 3.146 11.731 ( -0.000 0.244 4.809) 4.815 12.313 ( -0.000 -3.760 7.842) 8.697 12.398 ( -0.000 1.938 6.163) 6.461 12.797 ( 0.000 -0.954 -4.564) 4.663 13.152 ( 0.000 -8.865 -8.233) 12.099 13.323 ( 0.000 4.853 -9.188) 10.391 13.879 ( -0.000 0.311 3.753) 3.766 14.244 ( 0.000 -2.822 -4.344) 5.181 15.540 ( -0.000 -18.803 11.065) 21.817 17.967 ( 0.000 2.682 0.271) 2.695 18.093 ( 0.000 16.897 1.456) 16.959 18.330 ( 0.000 4.761 -0.188) 4.765 19.052 ( 0.000 0.956 0.126) 0.964 19.349 ( 0.000 24.991 -8.117) 26.276 20.971 ( -0.000 -7.741 -0.046) 7.741 21.538 ( -0.000 -23.346 1.714) 23.409 21.792 ( -0.000 -2.516 0.900) 2.672 22.666 ( -0.000 -4.739 0.021) 4.739 23.340 ( -0.000 -6.468 4.063) 7.638 23.571 ( 0.000 3.788 -0.151) 3.791 23.824 ( 0.000 16.132 -6.063) 17.234 ======================= Grid point 161 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 25.904 -0.190 7.279) 26.908 1.917 ( -6.562 18.557 0.384) 19.686 2.085 ( -0.193 -5.722 5.627) 8.027 2.294 ( 8.484 21.194 -5.098) 23.391 2.787 ( -5.766 10.537 3.679) 12.562 3.167 ( 12.386 5.367 2.404) 13.712 3.529 ( -2.679 -2.608 -0.795) 3.823 3.657 ( -4.842 -1.887 -2.234) 5.657 4.069 ( -4.307 -3.712 8.701) 10.395 4.135 ( -2.974 -0.540 4.983) 5.828 4.379 ( -1.678 -5.662 1.951) 6.220 4.790 ( -7.413 -1.248 3.784) 8.416 4.868 ( -5.215 -3.832 5.418) 8.440 5.201 ( 6.557 -8.108 -11.901) 15.823 5.400 ( 3.770 -5.686 -8.951) 11.255 5.576 ( 6.707 2.711 3.433) 8.008 5.589 ( 2.502 9.162 -3.898) 10.266 5.935 ( -5.052 -1.715 -5.021) 7.326 6.394 ( -0.110 9.538 6.521) 11.555 6.501 ( -6.265 -6.885 -2.156) 9.555 6.944 ( 5.908 -3.229 -12.584) 14.272 7.519 ( 3.626 -0.840 11.398) 11.991 7.594 ( 4.018 0.969 13.497) 14.116 8.178 ( -1.731 4.328 -9.052) 10.181 8.333 ( 2.024 14.379 -12.509) 19.166 8.845 ( 0.517 2.050 -2.389) 3.190 9.166 ( 1.611 -12.431 2.898) 12.865 9.222 ( -5.504 -4.464 3.146) 7.754 9.432 ( -1.162 -3.923 1.439) 4.337 10.051 ( -8.746 -4.746 -0.939) 9.994 10.786 ( 7.053 14.067 -5.080) 16.536 11.407 ( 9.677 14.771 0.176) 17.660 11.717 ( -0.714 -1.842 1.745) 2.636 11.766 ( -0.507 1.405 3.707) 3.996 12.321 ( -0.978 -5.973 6.264) 8.710 12.463 ( 1.685 1.029 6.267) 6.570 12.717 ( -5.824 1.105 -2.592) 6.470 12.988 ( -1.336 -9.596 -8.580) 12.941 13.300 ( 0.874 3.422 -8.658) 9.351 13.921 ( 1.558 0.372 2.935) 3.344 14.167 ( -2.436 -2.466 -2.691) 4.389 15.322 ( -11.049 -18.806 9.697) 23.871 17.964 ( -3.229 4.611 1.243) 5.765 18.363 ( 8.110 9.023 -0.353) 12.137 18.478 ( 9.961 13.871 1.674) 17.159 19.141 ( 5.906 4.303 0.032) 7.307 19.640 ( 11.922 25.808 -10.427) 30.280 20.798 ( -8.309 -14.213 -0.100) 16.464 21.209 ( -11.963 -20.959 1.113) 24.159 21.706 ( -4.657 -4.651 0.876) 6.640 22.537 ( -3.220 -12.007 -2.401) 12.661 23.455 ( 9.515 -1.578 5.256) 10.984 23.656 ( 4.820 4.620 1.677) 6.884 23.902 ( -3.376 14.646 -5.614) 16.044 ======================= Grid point 162 (54/65) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -12.780 18.495 -7.898) 23.828 2.063 ( 6.671 -0.363 6.567) 9.369 2.148 ( 19.147 -9.632 5.787) 22.201 2.485 ( 4.646 4.343 -1.343) 6.500 2.916 ( -1.699 13.395 5.057) 14.418 3.349 ( 4.398 -2.409 3.483) 6.106 3.478 ( -3.734 0.325 1.075) 3.899 3.574 ( 0.413 4.321 -5.962) 7.375 4.008 ( -5.317 -2.365 7.732) 9.677 4.085 ( -7.102 1.553 3.783) 8.195 4.352 ( 4.709 -2.602 -1.301) 5.535 4.650 ( -8.659 0.602 5.508) 10.280 4.781 ( -6.373 -5.563 4.422) 9.546 5.168 ( 9.971 -9.854 -11.322) 18.020 5.356 ( 4.702 -3.243 -8.400) 10.158 5.719 ( 3.097 -2.315 2.720) 4.727 5.780 ( 7.101 12.941 -1.947) 14.889 5.854 ( 2.000 6.592 -3.604) 7.774 6.210 ( -9.179 -12.085 -3.206) 15.510 6.499 ( -6.411 6.106 5.560) 10.454 6.962 ( 3.385 4.607 -8.820) 10.511 7.651 ( 2.843 -8.289 8.851) 12.456 7.765 ( 8.652 -0.772 11.136) 14.123 8.111 ( -2.158 1.936 -7.718) 8.244 8.432 ( 1.536 15.007 -7.199) 16.715 8.868 ( -2.167 -0.763 2.050) 3.079 8.932 ( -8.428 -6.112 -2.568) 10.723 9.218 ( 4.743 -6.583 0.310) 8.119 9.399 ( -0.227 -0.626 -0.865) 1.092 9.917 ( -3.657 -1.912 2.253) 4.701 11.056 ( 8.698 16.024 -0.988) 18.259 11.616 ( 0.134 0.516 3.893) 3.929 11.719 ( 1.084 0.671 0.984) 1.610 11.834 ( 4.759 7.413 -0.436) 8.820 12.257 ( -0.880 -8.873 2.824) 9.354 12.519 ( -7.893 -1.572 -0.223) 8.051 12.634 ( 3.818 -3.312 7.701) 9.211 12.826 ( -3.570 3.164 -9.521) 10.649 13.290 ( 2.557 0.651 -7.124) 7.597 13.979 ( 2.242 0.837 0.701) 2.494 14.085 ( -2.551 -1.721 -0.162) 3.082 14.975 ( -15.180 -17.230 6.580) 23.887 17.975 ( -3.231 5.466 2.945) 6.999 18.533 ( 7.887 2.455 -2.608) 8.663 18.886 ( 16.077 12.744 2.065) 20.619 19.344 ( 8.199 13.646 -0.124) 15.920 20.068 ( 16.747 18.597 -6.179) 25.777 20.422 ( -11.444 -19.550 -1.161) 22.683 20.794 ( -19.704 -7.315 0.607) 21.027 21.606 ( 0.019 -7.988 1.036) 8.055 22.315 ( -5.251 -12.541 -4.881) 14.446 23.587 ( 5.048 -1.322 -0.634) 5.256 23.821 ( 2.846 4.427 1.657) 5.517 23.951 ( 0.593 9.398 1.263) 9.501 ======================= Grid point 163 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -14.853 14.654 -9.264) 22.829 2.147 ( -2.746 1.620 -10.770) 11.232 2.187 ( -0.152 -9.729 11.845) 15.329 2.733 ( 13.797 1.208 6.644) 15.361 3.028 ( 1.878 4.371 3.810) 6.095 3.352 ( -1.125 -8.255 1.100) 8.403 3.398 ( -4.271 -1.653 4.119) 6.160 3.606 ( 0.665 0.232 -1.560) 1.711 3.972 ( -5.415 -0.031 5.642) 7.820 4.019 ( -6.710 7.998 4.238) 11.268 4.474 ( 9.294 0.425 -1.386) 9.406 4.564 ( -7.718 -5.741 2.624) 9.971 4.664 ( -2.756 1.027 4.419) 5.308 5.180 ( 11.896 -8.462 -8.697) 16.993 5.382 ( 6.590 0.292 -6.949) 9.582 5.664 ( -4.857 2.360 -5.321) 7.581 5.882 ( -5.607 -13.081 1.018) 14.268 6.046 ( 7.617 11.143 1.935) 13.635 6.089 ( 10.522 8.146 -2.707) 13.579 6.431 ( -9.738 4.113 2.228) 10.804 6.978 ( -3.299 9.169 -5.271) 11.078 7.553 ( -5.068 -9.421 -1.799) 10.847 7.993 ( 0.907 -6.464 -8.697) 10.874 8.056 ( 9.592 -1.031 13.244) 16.385 8.569 ( 1.956 10.172 1.813) 10.515 8.634 ( -8.767 -5.805 -0.888) 10.552 8.966 ( 1.863 3.456 2.486) 4.647 9.187 ( -1.416 -1.576 -2.280) 3.113 9.422 ( 3.796 0.062 -4.137) 5.615 9.894 ( 0.544 -3.527 3.785) 5.202 11.349 ( 7.659 12.062 2.107) 14.443 11.587 ( -2.302 -2.810 2.567) 4.448 11.710 ( -4.782 0.808 3.891) 6.217 12.006 ( 4.502 3.642 -0.450) 5.808 12.159 ( -7.876 -7.764 2.611) 11.363 12.295 ( 0.860 -6.721 -7.732) 10.281 12.731 ( 0.402 7.955 -6.479) 10.268 12.871 ( 4.411 3.613 8.663) 10.371 13.303 ( 4.634 1.312 -5.319) 7.176 13.964 ( -3.447 0.212 -1.257) 3.676 14.104 ( 3.812 -0.075 1.834) 4.231 14.594 ( -14.218 -15.045 4.131) 21.109 18.002 ( -2.954 5.242 3.887) 7.163 18.632 ( 3.813 1.349 -3.167) 5.136 19.210 ( 9.262 0.132 0.035) 9.263 19.646 ( 2.630 19.141 0.910) 19.342 19.941 ( -3.647 -22.051 0.380) 22.354 20.367 ( -9.430 -2.245 -2.250) 9.951 20.738 ( 16.828 26.115 0.313) 31.069 21.565 ( 3.857 -8.894 1.016) 9.747 22.026 ( -8.182 -12.156 -9.826) 17.643 23.595 ( -1.956 0.571 -3.561) 4.103 23.829 ( -3.827 4.701 -1.717) 6.301 24.121 ( 5.889 0.138 7.889) 9.846 ======================= Grid point 169 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -0.000 -1.908 8.831) 9.035 2.056 ( -0.000 -8.225 8.795) 12.042 2.315 ( 0.000 20.574 -0.128) 20.575 2.342 ( 0.000 26.072 -7.527) 27.137 2.913 ( 0.000 5.309 -5.083) 7.350 3.163 ( -0.000 9.532 8.227) 12.591 3.520 ( 0.000 0.335 -2.350) 2.374 3.644 ( -0.000 -5.171 -3.228) 6.095 4.131 ( -0.000 -3.886 5.667) 6.871 4.179 ( -0.000 -1.179 1.720) 2.085 4.350 ( -0.000 -5.725 1.741) 5.984 4.844 ( -0.000 -2.284 -0.057) 2.285 4.939 ( -0.000 -6.399 2.957) 7.049 4.997 ( 0.000 -2.985 -4.360) 5.284 5.258 ( 0.000 -4.775 -4.684) 6.689 5.548 ( -0.000 -2.902 8.367) 8.856 5.648 ( 0.000 13.427 -4.535) 14.172 5.951 ( 0.000 1.903 -6.856) 7.115 6.475 ( -0.000 -10.740 -2.633) 11.058 6.528 ( -0.000 9.982 8.822) 13.322 6.702 ( 0.000 -8.325 -11.213) 13.966 7.597 ( -0.000 -4.795 15.303) 16.036 7.671 ( -0.000 6.640 10.478) 12.405 8.183 ( 0.000 6.321 -10.817) 12.529 8.362 ( 0.000 16.148 -14.049) 21.404 8.850 ( 0.000 3.386 -1.849) 3.858 9.023 ( -0.000 -15.559 3.297) 15.904 9.289 ( -0.000 -2.322 3.791) 4.446 9.376 ( -0.000 -7.268 1.159) 7.360 10.074 ( -0.000 -3.857 -3.211) 5.019 10.830 ( 0.000 17.173 -4.033) 17.641 11.507 ( 0.000 18.582 0.785) 18.599 11.718 ( -0.000 -2.735 1.518) 3.128 11.796 ( -0.000 0.256 1.744) 1.763 12.357 ( -0.000 -3.207 8.319) 8.916 12.440 ( -0.000 -4.436 2.544) 5.113 12.799 ( -0.000 -15.564 -5.609) 16.544 12.816 ( 0.000 8.057 -2.683) 8.492 13.260 ( 0.000 1.825 -7.518) 7.736 13.930 ( -0.000 -0.100 2.712) 2.714 14.148 ( 0.000 -1.568 -2.242) 2.736 15.272 ( -0.000 -21.737 6.373) 22.652 18.005 ( 0.000 1.843 -1.965) 2.694 18.439 ( 0.000 5.970 0.461) 5.988 18.562 ( 0.000 25.703 2.779) 25.852 19.144 ( 0.000 7.155 1.693) 7.352 19.748 ( 0.000 29.252 -8.731) 30.527 20.741 ( -0.000 -15.075 -0.177) 15.076 21.015 ( -0.000 -30.302 0.649) 30.309 21.739 ( -0.000 -2.853 -0.298) 2.868 22.410 ( -0.000 -16.663 0.631) 16.675 23.437 ( -0.000 2.022 8.290) 8.533 23.661 ( 0.000 4.859 -0.008) 4.859 24.026 ( 0.000 13.708 -6.893) 15.343 ======================= Grid point 170 (57/65) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 25.446 -3.159 8.641) 27.059 2.059 ( 1.044 -4.234 6.755) 8.041 2.276 ( -14.625 15.151 -4.497) 21.532 2.524 ( -3.219 10.708 -4.939) 12.223 3.002 ( 5.671 6.326 -2.354) 8.816 3.329 ( 1.684 4.886 6.038) 7.948 3.524 ( 0.067 4.993 -2.907) 5.778 3.551 ( -0.605 -4.044 -4.272) 5.913 4.098 ( -1.760 -3.361 2.138) 4.355 4.153 ( 1.648 -3.427 -2.205) 4.395 4.306 ( -3.511 1.229 1.935) 4.193 4.774 ( 0.168 -8.900 -1.849) 9.092 4.869 ( 1.489 -7.440 -4.091) 8.620 4.940 ( -10.491 4.788 5.695) 12.861 5.232 ( 2.182 -1.403 0.801) 2.715 5.644 ( 5.619 -3.645 6.947) 9.650 5.794 ( 4.475 14.212 -2.627) 15.129 5.898 ( -2.324 7.889 -5.429) 9.854 6.218 ( -9.298 -14.541 -3.671) 17.646 6.616 ( 0.723 -5.112 0.186) 5.166 6.796 ( 13.674 7.054 0.660) 15.400 7.621 ( -2.180 -6.969 10.643) 12.907 7.802 ( -1.672 3.643 8.612) 9.499 8.136 ( -2.156 4.851 -9.434) 10.825 8.460 ( 4.671 14.012 -9.876) 17.767 8.879 ( 0.607 -5.686 1.413) 5.891 8.909 ( 0.680 -5.477 -0.962) 5.602 9.192 ( -6.145 -1.993 2.558) 6.949 9.374 ( 1.337 -3.147 1.259) 3.643 9.971 ( -4.275 -1.929 -2.142) 5.156 11.067 ( 8.470 17.715 -2.022) 19.739 11.674 ( -2.658 -2.535 1.830) 4.104 11.696 ( 1.940 10.229 -0.947) 10.455 11.843 ( 4.162 3.972 0.157) 5.755 12.260 ( -7.173 -6.098 2.796) 9.821 12.538 ( 1.887 -6.828 -1.077) 7.166 12.579 ( 1.897 -9.823 7.185) 12.317 12.864 ( -1.567 9.476 -7.416) 12.135 13.228 ( 0.232 0.170 -3.072) 3.086 13.960 ( 1.530 0.054 1.911) 2.448 14.106 ( -1.863 -0.599 -1.542) 2.491 15.020 ( -7.899 -21.143 2.771) 22.740 18.034 ( 2.877 2.020 -1.808) 3.953 18.492 ( -0.078 6.391 0.637) 6.423 18.879 ( 4.604 19.264 2.456) 19.958 19.333 ( 9.261 14.428 0.762) 17.161 20.052 ( 6.609 26.786 -4.841) 28.011 20.414 ( -12.264 -21.825 -0.335) 25.037 20.802 ( 3.237 -20.152 -0.048) 20.411 21.622 ( -8.097 -3.605 -0.300) 8.869 22.233 ( -3.267 -16.071 2.087) 16.531 23.536 ( 2.416 1.329 3.865) 4.748 23.773 ( 6.743 2.733 3.020) 7.878 24.069 ( -2.884 10.741 -6.287) 12.775 ======================= Grid point 171 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -2.920 -5.057 0.000) 5.840 2.129 ( 0.786 1.361 0.000) 1.572 2.223 ( 6.377 11.046 0.000) 12.754 2.498 ( 1.600 2.771 -0.000) 3.200 3.105 ( 2.220 3.845 0.000) 4.440 3.301 ( -5.240 -9.076 -0.000) 10.480 3.471 ( -1.780 -3.083 0.000) 3.560 3.590 ( 1.299 2.250 -0.000) 2.598 4.052 ( -1.200 -2.078 -0.000) 2.400 4.202 ( 2.443 4.231 0.000) 4.885 4.310 ( 2.036 3.527 -0.000) 4.072 4.631 ( -5.111 -8.852 0.000) 10.222 4.772 ( -3.848 -6.665 0.000) 7.696 4.920 ( 3.135 5.430 -0.000) 6.270 5.287 ( 1.708 2.958 0.000) 3.416 5.689 ( -0.194 -0.336 0.000) 0.388 5.869 ( -9.035 -15.648 -0.000) 18.069 6.035 ( 6.521 11.295 0.000) 13.042 6.038 ( 7.871 13.634 0.000) 15.743 6.558 ( -2.529 -4.380 -0.000) 5.057 7.083 ( 6.814 11.802 0.000) 13.628 7.512 ( -5.729 -9.922 -0.000) 11.457 7.821 ( -0.750 -1.298 0.000) 1.499 8.095 ( -0.129 -0.224 0.000) 0.259 8.607 ( 3.669 6.354 -0.000) 7.338 8.696 ( -6.280 -10.877 0.000) 12.559 8.978 ( 2.811 4.868 0.000) 5.621 9.184 ( 2.217 3.840 0.000) 4.434 9.344 ( -1.375 -2.381 0.000) 2.750 9.890 ( -1.689 -2.925 -0.000) 3.377 11.363 ( 7.282 12.612 0.000) 14.564 11.609 ( -1.549 -2.684 -0.000) 3.099 11.763 ( 0.875 1.516 0.000) 1.750 12.015 ( 5.509 9.541 0.000) 11.017 12.101 ( -3.989 -6.909 -0.000) 7.978 12.286 ( -7.888 -13.662 0.000) 15.776 12.760 ( 2.416 4.185 0.000) 4.833 12.880 ( 3.427 5.935 0.000) 6.854 13.238 ( 1.336 2.314 0.000) 2.672 14.007 ( 1.089 1.885 0.000) 2.177 14.060 ( -0.723 -1.251 0.000) 1.445 14.659 ( -11.101 -19.228 0.000) 22.203 18.094 ( 1.501 2.600 0.000) 3.002 18.575 ( 2.664 4.614 -0.000) 5.328 19.119 ( 6.374 11.040 0.000) 12.748 19.723 ( 12.493 21.639 0.000) 24.986 19.863 ( -14.107 -24.433 0.000) 28.213 20.403 ( -0.684 -1.185 0.000) 1.368 20.789 ( 9.321 16.144 0.000) 18.641 21.455 ( -3.809 -6.597 0.000) 7.618 21.995 ( -8.329 -14.426 0.000) 16.658 23.599 ( 1.309 2.268 -0.000) 2.619 23.904 ( 1.132 1.960 -0.000) 2.264 24.082 ( 1.515 2.623 0.000) 3.029 ======================= Grid point 179 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 -3.736 10.947) 11.567 2.071 ( -0.000 -1.940 7.742) 7.981 2.419 ( 0.000 -4.352 -6.106) 7.498 2.697 ( 0.000 15.633 -5.299) 16.507 2.955 ( 0.000 8.848 -5.430) 10.381 3.415 ( -0.000 2.454 5.382) 5.915 3.455 ( 0.000 -5.054 -6.277) 8.059 3.563 ( 0.000 7.350 -2.667) 7.819 4.015 ( -0.000 -8.921 -3.634) 9.632 4.055 ( 0.000 -4.865 -6.351) 8.000 4.422 ( 0.000 7.571 3.216) 8.226 4.647 ( 0.000 -3.439 -6.047) 6.956 4.744 ( -0.000 -11.390 -2.508) 11.663 5.237 ( -0.000 10.575 10.788) 15.107 5.252 ( -0.000 1.239 8.070) 8.164 5.583 ( -0.000 -5.963 7.797) 9.816 5.872 ( 0.000 14.143 -3.612) 14.596 5.975 ( 0.000 10.667 -5.707) 12.097 6.168 ( -0.000 -15.617 -0.152) 15.618 6.399 ( 0.000 -7.258 -6.879) 10.000 6.813 ( -0.000 3.210 9.711) 10.228 7.650 ( -0.000 -8.992 9.021) 12.737 7.974 ( -0.000 3.582 12.082) 12.601 8.129 ( 0.000 8.474 -13.213) 15.697 8.435 ( 0.000 10.942 -11.591) 15.940 8.750 ( -0.000 -14.241 1.904) 14.367 8.920 ( 0.000 4.787 -1.428) 4.995 9.250 ( -0.000 -6.961 1.530) 7.128 9.362 ( -0.000 2.633 5.134) 5.770 9.972 ( 0.000 -0.699 -4.815) 4.866 11.139 ( 0.000 17.265 -2.241) 17.409 11.654 ( -0.000 -2.778 -1.942) 3.389 11.753 ( 0.000 -3.603 -3.439) 4.980 11.870 ( 0.000 14.039 2.723) 14.300 12.356 ( -0.000 -11.816 -5.911) 13.212 12.371 ( -0.000 -5.170 3.436) 6.208 12.529 ( -0.000 -3.456 13.685) 14.114 12.903 ( 0.000 8.326 -11.739) 14.392 13.242 ( -0.000 1.963 3.795) 4.272 13.957 ( -0.000 -1.438 2.181) 2.612 14.113 ( 0.000 1.510 -2.138) 2.618 14.877 ( -0.000 -21.743 -1.204) 21.776 17.976 ( 0.000 0.415 -4.329) 4.349 18.574 ( 0.000 4.575 3.120) 5.537 19.112 ( 0.000 24.112 1.215) 24.143 19.360 ( 0.000 10.916 0.979) 10.960 20.278 ( 0.000 32.325 -1.777) 32.374 20.409 ( -0.000 -16.543 -0.024) 16.543 20.414 ( -0.000 -27.916 -0.784) 27.927 21.682 ( -0.000 -1.614 -1.256) 2.045 22.146 ( -0.000 -15.305 7.876) 17.213 23.566 ( -0.000 -1.837 7.072) 7.306 23.744 ( 0.000 3.132 0.026) 3.133 24.139 ( 0.000 8.883 -8.080) 12.008 ======================= Grid point 226 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 0.000 9.369) 9.369 1.363 ( -0.000 0.000 9.369) 9.369 1.749 ( 0.000 -0.000 -20.578) 20.578 2.375 ( -0.000 0.000 14.950) 14.950 2.745 ( 0.000 -0.000 -1.068) 1.068 2.745 ( 0.000 -0.000 -1.068) 1.068 3.716 ( -0.000 0.000 1.639) 1.639 3.716 ( -0.000 0.000 1.639) 1.639 4.171 ( -0.000 0.000 6.643) 6.643 4.171 ( -0.000 0.000 6.643) 6.643 4.576 ( -0.000 0.000 9.639) 9.639 4.889 ( 0.000 -0.000 -2.195) 2.195 4.889 ( 0.000 -0.000 -2.195) 2.195 5.370 ( -0.000 0.000 8.605) 8.605 5.419 ( 0.000 -0.000 -12.463) 12.463 5.419 ( 0.000 -0.000 -12.463) 12.463 5.505 ( -0.000 0.000 4.148) 4.148 6.107 ( -0.000 0.000 0.404) 0.404 6.107 ( -0.000 0.000 0.404) 0.404 6.647 ( 0.000 -0.000 -1.978) 1.978 6.974 ( 0.000 -0.000 -15.245) 15.245 7.464 ( -0.000 0.000 10.196) 10.196 7.464 ( -0.000 0.000 10.196) 10.196 8.105 ( 0.000 -0.000 -8.895) 8.895 8.105 ( 0.000 -0.000 -8.895) 8.895 8.808 ( 0.000 -0.000 -3.776) 3.776 9.332 ( -0.000 0.000 5.418) 5.418 9.332 ( -0.000 0.000 5.418) 5.418 9.579 ( -0.000 0.000 0.273) 0.273 10.492 ( 0.000 -0.000 -7.975) 7.975 10.492 ( 0.000 -0.000 -7.975) 7.975 10.774 ( -0.000 0.000 4.789) 4.789 11.763 ( -0.000 0.000 3.942) 3.942 11.763 ( -0.000 0.000 3.942) 3.942 12.413 ( -0.000 0.000 6.171) 6.171 12.413 ( -0.000 0.000 6.171) 6.171 12.791 ( 0.000 -0.000 -3.904) 3.904 13.192 ( 0.000 -0.000 -7.448) 7.448 13.192 ( 0.000 -0.000 -7.448) 7.448 13.904 ( -0.000 0.000 3.685) 3.685 14.236 ( 0.000 -0.000 -4.737) 4.737 15.806 ( -0.000 0.000 5.978) 5.978 17.928 ( -0.000 0.000 0.488) 0.488 17.928 ( 0.000 0.000 0.488) 0.488 18.280 ( -0.000 0.000 0.199) 0.199 19.058 ( 0.000 -0.000 -0.582) 0.582 19.058 ( 0.000 -0.000 -0.582) 0.582 21.047 ( -0.000 0.000 0.007) 0.007 21.823 ( -0.000 0.000 1.034) 1.034 21.823 ( -0.000 0.000 1.034) 1.034 22.707 ( -0.000 0.000 4.469) 4.469 23.486 ( 0.000 -0.000 -6.791) 6.791 23.530 ( 0.000 -0.000 -0.164) 0.164 23.530 ( 0.000 -0.000 -0.164) 0.164 ======================= Grid point 227 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 6.416 3.704 0.069) 7.409 1.684 ( 20.764 11.988 7.766) 25.203 1.787 ( 15.606 9.010 -10.013) 20.616 2.313 ( -7.319 -4.226 5.963) 10.343 2.699 ( -0.727 -0.420 3.230) 3.337 3.010 ( 15.005 8.663 -0.820) 17.346 3.646 ( -5.189 -2.996 3.237) 6.810 3.679 ( -5.485 -3.167 -1.806) 6.586 4.183 ( -3.035 -1.752 6.208) 7.129 4.197 ( -2.054 -1.186 4.665) 5.233 4.500 ( -7.781 -4.493 1.978) 9.200 4.869 ( -4.218 -2.435 0.866) 4.947 4.939 ( 2.081 1.202 7.010) 7.411 5.230 ( -3.016 -1.741 -9.854) 10.452 5.346 ( 1.085 0.626 -10.050) 10.128 5.472 ( -1.367 -0.789 -0.353) 1.617 5.537 ( 6.340 3.660 2.024) 7.595 6.010 ( -6.975 -4.027 -1.105) 8.130 6.262 ( 8.449 4.878 4.851) 10.895 6.591 ( -4.403 -2.542 -0.276) 5.092 6.866 ( 0.766 0.442 -13.509) 13.538 7.579 ( 3.562 2.056 10.188) 10.987 7.652 ( 7.749 4.474 13.625) 16.300 8.055 ( 1.458 0.842 -8.783) 8.943 8.066 ( 2.557 1.476 -12.493) 12.837 8.798 ( 1.253 0.724 -2.249) 2.674 9.323 ( -5.496 -3.173 2.166) 6.706 9.326 ( -1.765 -1.019 3.687) 4.212 9.516 ( -4.999 -2.886 0.416) 5.788 10.180 ( -12.952 -7.478 -1.222) 15.006 10.553 ( 8.889 5.132 -4.913) 11.379 11.122 ( 18.618 10.749 -0.230) 21.499 11.773 ( -1.414 -0.816 2.510) 2.994 11.781 ( -0.663 -0.383 3.142) 3.234 12.446 ( -1.259 -0.727 4.282) 4.522 12.466 ( 1.319 0.762 5.560) 5.765 12.713 ( -3.809 -2.199 -2.228) 4.930 13.076 ( -6.032 -3.483 -7.086) 9.936 13.180 ( 3.306 1.909 -5.503) 6.697 13.935 ( 0.596 0.344 2.691) 2.778 14.181 ( -1.944 -1.122 -3.124) 3.847 15.665 ( -14.309 -8.261 5.420) 17.389 17.921 ( -0.222 -0.128 1.716) 1.735 18.146 ( 16.325 9.425 -0.224) 18.851 18.335 ( 4.707 2.718 -0.356) 5.447 19.095 ( 2.837 1.638 -1.247) 3.505 19.227 ( 15.402 8.892 -2.352) 17.939 20.970 ( -6.815 -3.935 -0.013) 7.870 21.571 ( -20.443 -11.803 0.801) 23.620 21.784 ( -3.170 -1.830 1.193) 3.850 22.671 ( -6.153 -3.553 -0.216) 7.109 23.528 ( 9.217 5.321 2.951) 11.044 23.571 ( 3.357 1.938 -0.128) 3.878 23.619 ( 4.492 2.593 -4.835) 7.090 ======================= Grid point 228 (62/65) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.641 0.370 -9.204) 9.233 2.103 ( 2.951 1.704 3.623) 4.973 2.241 ( 22.573 13.033 1.064) 26.087 2.309 ( 9.123 5.267 2.044) 10.731 2.770 ( 3.422 1.976 7.361) 8.354 3.304 ( 10.893 6.289 -3.567) 13.074 3.516 ( -4.060 -2.344 -2.702) 5.410 3.542 ( -6.297 -3.635 4.897) 8.766 4.126 ( -5.576 -3.219 6.138) 8.896 4.144 ( -5.307 -3.064 3.312) 6.966 4.380 ( -1.728 -0.998 -1.300) 2.382 4.729 ( -8.122 -4.689 5.496) 10.870 4.926 ( -7.510 -4.336 5.282) 10.154 5.165 ( 4.854 2.802 -13.186) 14.328 5.299 ( 0.701 0.405 -8.437) 8.476 5.579 ( 10.347 5.974 1.125) 12.000 5.706 ( 6.447 3.722 -2.520) 7.860 5.824 ( -6.277 -3.624 0.917) 7.306 6.426 ( -0.236 -0.136 9.004) 9.008 6.435 ( -9.661 -5.578 0.996) 11.200 6.819 ( 3.713 2.144 -12.732) 13.435 7.795 ( 9.247 5.339 7.382) 12.981 7.830 ( -3.909 -2.257 4.390) 6.296 8.034 ( 1.540 0.889 -5.559) 5.836 8.127 ( 12.132 7.005 -2.879) 14.302 8.834 ( 2.815 1.625 -0.324) 3.266 9.084 ( -14.097 -8.139 -1.748) 16.372 9.333 ( 1.228 0.709 -0.083) 1.420 9.396 ( -5.633 -3.252 -0.427) 6.519 9.991 ( -4.726 -2.729 3.417) 6.439 10.797 ( 13.864 8.005 -1.047) 16.044 11.515 ( 15.135 8.738 -0.034) 17.476 11.743 ( -1.293 -0.747 -0.299) 1.523 11.780 ( -1.515 -0.875 2.955) 3.434 12.428 ( -2.443 -1.411 2.847) 4.008 12.485 ( -3.139 -1.812 -0.619) 3.677 12.696 ( 3.328 1.922 6.488) 7.541 12.822 ( -10.817 -6.245 -7.943) 14.802 13.220 ( 2.850 1.645 -3.908) 5.109 13.968 ( 0.987 0.570 0.025) 1.139 14.116 ( -2.167 -1.251 -0.072) 2.503 15.305 ( -19.250 -11.114 3.468) 22.496 17.940 ( 0.136 0.079 3.325) 3.329 18.466 ( 6.621 3.823 -1.687) 7.830 18.603 ( 22.647 13.075 -0.371) 26.153 19.182 ( 6.171 3.563 -1.480) 7.277 19.669 ( 24.193 13.968 -2.037) 28.009 20.738 ( -13.145 -7.589 0.004) 15.179 21.017 ( -26.951 -15.560 0.551) 31.125 21.720 ( -2.803 -1.618 1.277) 3.480 22.458 ( -10.426 -6.019 -3.676) 12.587 23.626 ( 1.541 0.890 -7.831) 8.030 23.662 ( 4.200 2.425 -0.067) 4.850 23.849 ( 11.609 6.703 8.348) 15.792 ======================= Grid point 235 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 -0.400 6.168) 6.181 1.772 ( 0.000 23.044 -6.511) 23.947 1.787 ( 0.000 26.895 -0.669) 26.903 2.314 ( -0.000 -12.043 4.993) 13.037 2.784 ( 0.000 3.560 -3.975) 5.336 2.961 ( 0.000 15.114 3.823) 15.590 3.631 ( -0.000 -8.215 2.096) 8.478 3.711 ( -0.000 -3.371 -1.956) 3.897 4.226 ( -0.000 -2.082 3.026) 3.673 4.230 ( -0.000 -1.666 2.301) 2.841 4.518 ( -0.000 -10.251 0.254) 10.254 4.863 ( -0.000 0.301 2.270) 2.290 5.008 ( 0.000 4.639 2.891) 5.466 5.131 ( -0.000 -10.852 -4.005) 11.567 5.287 ( 0.000 -0.301 -6.347) 6.354 5.468 ( -0.000 -2.384 0.034) 2.384 5.544 ( 0.000 5.782 2.284) 6.217 6.006 ( -0.000 -8.442 -1.169) 8.522 6.315 ( 0.000 15.227 3.178) 15.555 6.601 ( -0.000 -3.446 -1.033) 3.597 6.753 ( 0.000 -3.959 -7.189) 8.207 7.639 ( -0.000 3.622 7.558) 8.381 7.721 ( -0.000 6.437 13.399) 14.865 8.000 ( 0.000 5.491 -12.452) 13.609 8.012 ( 0.000 3.169 -7.440) 8.087 8.786 ( 0.000 1.755 -1.202) 2.127 9.307 ( -0.000 -8.677 3.200) 9.248 9.362 ( -0.000 -2.893 0.959) 3.048 9.516 ( -0.000 -5.945 0.346) 5.955 10.198 ( -0.000 -11.662 -2.645) 11.959 10.518 ( 0.000 11.095 -2.231) 11.317 11.117 ( 0.000 20.461 0.419) 20.466 11.783 ( -0.000 -2.131 1.618) 2.676 11.806 ( -0.000 -0.047 1.245) 1.246 12.457 ( -0.000 -2.098 3.733) 4.282 12.504 ( -0.000 0.648 2.342) 2.430 12.719 ( 0.000 -0.939 -2.327) 2.510 13.015 ( -0.000 -8.804 -2.481) 9.147 13.157 ( 0.000 3.640 -3.965) 5.382 13.949 ( -0.000 -0.014 1.803) 1.803 14.164 ( 0.000 -1.479 -1.977) 2.470 15.695 ( -0.000 -15.963 2.708) 16.191 17.956 ( 0.000 1.651 -1.164) 2.020 18.126 ( 0.000 18.393 1.319) 18.440 18.329 ( 0.000 4.529 0.144) 4.531 19.067 ( 0.000 2.315 1.068) 2.549 19.234 ( 0.000 17.278 -2.611) 17.474 20.970 ( -0.000 -7.850 -0.022) 7.850 21.571 ( -0.000 -23.398 0.875) 23.415 21.801 ( -0.000 -3.100 -0.222) 3.108 22.667 ( -0.000 -9.300 0.083) 9.301 23.450 ( -0.000 2.709 5.595) 6.216 23.569 ( 0.000 3.862 0.000) 3.862 23.680 ( 0.000 13.954 -6.103) 15.230 ======================= Grid point 236 (64/65) ======================= q-point: (-0.38 -0.50 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 6.658 11.531 -0.000) 13.315 1.799 ( 6.479 11.223 0.000) 12.959 2.208 ( -3.434 -5.949 0.000) 6.869 2.245 ( 11.975 20.741 0.000) 23.949 2.825 ( 3.911 6.775 0.000) 7.823 3.200 ( 6.538 11.325 0.000) 13.076 3.519 ( -3.754 -6.502 0.000) 7.508 3.627 ( -2.520 -4.364 0.000) 5.039 4.187 ( -2.215 -3.837 0.000) 4.430 4.201 ( -1.442 -2.498 0.000) 2.885 4.379 ( -3.799 -6.580 0.000) 7.598 4.897 ( 0.357 0.618 -0.000) 0.714 4.935 ( -4.566 -7.908 0.000) 9.132 5.021 ( -3.688 -6.387 0.000) 7.375 5.261 ( -0.288 -0.499 0.000) 0.576 5.529 ( 5.401 9.355 0.000) 10.802 5.665 ( 4.228 7.322 0.000) 8.455 5.844 ( -4.840 -8.383 0.000) 9.679 6.469 ( -6.122 -10.603 0.000) 12.244 6.579 ( 8.277 14.336 -0.000) 16.554 6.690 ( -1.489 -2.579 0.000) 2.978 7.707 ( 1.007 1.745 0.000) 2.015 7.863 ( -2.187 -3.788 0.000) 4.374 8.012 ( 2.203 3.816 0.000) 4.407 8.087 ( 9.451 16.370 0.000) 18.902 8.817 ( 1.577 2.732 0.000) 3.154 9.200 ( -6.659 -11.533 0.000) 13.318 9.260 ( -2.953 -5.114 0.000) 5.906 9.447 ( -2.018 -3.496 0.000) 4.037 10.036 ( -3.630 -6.287 0.000) 7.260 10.726 ( 8.670 15.018 0.000) 17.341 11.406 ( 9.372 16.233 0.000) 18.745 11.746 ( -1.833 -3.174 0.000) 3.665 11.813 ( 0.283 0.490 0.000) 0.566 12.397 ( -3.436 -5.951 0.000) 6.872 12.567 ( 1.750 3.031 0.000) 3.500 12.694 ( 0.716 1.241 0.000) 1.433 12.856 ( -6.273 -10.866 0.000) 12.547 13.186 ( 1.370 2.373 0.000) 2.740 13.961 ( 0.261 0.451 0.000) 0.521 14.129 ( -1.070 -1.853 0.000) 2.139 15.432 ( -10.600 -18.360 0.000) 21.201 17.980 ( 1.346 2.332 0.000) 2.693 18.353 ( 4.688 8.120 0.000) 9.376 18.501 ( 10.146 17.573 0.000) 20.292 19.142 ( 3.415 5.916 0.000) 6.831 19.525 ( 12.580 21.789 0.000) 25.160 20.797 ( -8.271 -14.325 0.000) 16.542 21.224 ( -12.309 -21.320 0.000) 24.618 21.716 ( -3.208 -5.557 0.000) 6.416 22.507 ( -6.367 -11.028 0.000) 12.734 23.520 ( 1.013 1.754 0.000) 2.026 23.714 ( 3.836 6.645 0.000) 7.673 23.793 ( 6.454 11.179 -0.000) 12.908 ======================= Grid point 307 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.000 0.000 0.000) 0.000 1.470 ( -0.000 0.000 0.000) 0.000 1.491 ( -0.000 0.000 0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 2.731 ( -0.000 0.000 0.000) 0.000 2.731 ( -0.000 0.000 0.000) 0.000 3.739 ( -0.000 0.000 0.000) 0.000 3.739 ( -0.000 0.000 0.000) 0.000 4.258 ( -0.000 0.000 0.000) 0.000 4.258 ( -0.000 0.000 0.000) 0.000 4.698 ( -0.000 0.000 0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 5.253 ( -0.000 0.000 0.000) 0.000 5.253 ( -0.000 0.000 0.000) 0.000 5.471 ( -0.000 0.000 0.000) 0.000 5.582 ( 0.000 -0.000 -0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.621 ( -0.000 0.000 0.000) 0.000 6.763 ( -0.000 0.000 0.000) 0.000 7.634 ( -0.000 0.000 0.000) 0.000 7.634 ( -0.000 0.000 0.000) 0.000 7.953 ( -0.000 0.000 0.000) 0.000 7.953 ( -0.000 0.000 0.000) 0.000 8.764 ( -0.000 0.000 0.000) 0.000 9.399 ( -0.000 0.000 0.000) 0.000 9.399 ( -0.000 0.000 0.000) 0.000 9.582 ( -0.000 0.000 0.000) 0.000 10.393 ( -0.000 0.000 0.000) 0.000 10.393 ( -0.000 0.000 0.000) 0.000 10.830 ( -0.000 0.000 0.000) 0.000 11.812 ( -0.000 0.000 0.000) 0.000 11.812 ( -0.000 0.000 0.000) 0.000 12.492 ( -0.000 0.000 0.000) 0.000 12.492 ( -0.000 0.000 0.000) 0.000 12.746 ( -0.000 0.000 0.000) 0.000 13.094 ( -0.000 0.000 0.000) 0.000 13.094 ( -0.000 0.000 0.000) 0.000 13.956 ( -0.000 0.000 0.000) 0.000 14.172 ( -0.000 0.000 0.000) 0.000 15.876 ( -0.000 0.000 0.000) 0.000 17.934 ( -0.000 0.000 0.000) 0.000 17.934 ( -0.000 0.000 0.000) 0.000 18.283 ( -0.000 0.000 0.000) 0.000 19.051 ( -0.000 0.000 0.000) 0.000 19.051 ( -0.000 0.000 0.000) 0.000 21.047 ( -0.000 0.000 0.000) 0.000 21.835 ( -0.000 0.000 0.000) 0.000 21.835 ( -0.000 0.000 0.000) 0.000 22.770 ( -0.000 0.000 0.000) 0.000 23.395 ( -0.000 0.000 0.000) 0.000 23.528 ( -0.000 0.000 0.000) 0.000 23.528 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27648 10.0 1731.506 1731.506 1837.126 0.000 -0.000 0.000 3/27648 20.0 496.033 496.033 280.088 0.000 -0.000 0.000 3/27648 30.0 212.671 212.671 107.068 0.000 -0.000 0.000 3/27648 40.0 115.528 115.528 56.701 0.000 -0.000 0.000 3/27648 50.0 73.767 73.767 36.064 0.000 -0.000 0.000 3/27648 60.0 52.334 52.334 25.658 0.000 -0.000 0.000 3/27648 70.0 39.847 39.847 19.639 0.000 -0.000 0.000 3/27648 80.0 31.871 31.871 15.808 0.000 -0.000 0.000 3/27648 90.0 26.419 26.419 13.193 0.000 -0.000 0.000 3/27648 100.0 22.493 22.493 11.310 0.000 -0.000 0.000 3/27648 110.0 19.552 19.552 9.898 0.000 -0.000 0.000 3/27648 120.0 17.275 17.275 8.803 0.000 -0.000 0.000 3/27648 130.0 15.466 15.466 7.932 0.000 -0.000 0.000 3/27648 140.0 13.998 13.998 7.224 0.000 -0.000 0.000 3/27648 150.0 12.786 12.786 6.636 0.000 -0.000 0.000 3/27648 160.0 11.768 11.768 6.142 0.000 -0.000 0.000 3/27648 170.0 10.903 10.903 5.720 0.000 -0.000 0.000 3/27648 180.0 10.159 10.159 5.355 0.000 -0.000 0.000 3/27648 190.0 9.512 9.512 5.037 0.000 -0.000 0.000 3/27648 200.0 8.946 8.946 4.757 0.000 -0.000 0.000 3/27648 210.0 8.445 8.445 4.509 0.000 -0.000 0.000 3/27648 220.0 7.999 7.999 4.287 0.000 -0.000 0.000 3/27648 230.0 7.600 7.600 4.087 0.000 -0.000 0.000 3/27648 240.0 7.241 7.241 3.906 0.000 -0.000 0.000 3/27648 250.0 6.915 6.915 3.741 0.000 -0.000 0.000 3/27648 260.0 6.618 6.618 3.591 0.000 -0.000 0.000 3/27648 270.0 6.347 6.347 3.452 0.000 -0.000 0.000 3/27648 280.0 6.099 6.099 3.325 0.000 -0.000 0.000 3/27648 290.0 5.869 5.869 3.207 0.000 -0.000 0.000 3/27648 300.0 5.657 5.657 3.098 0.000 -0.000 0.000 3/27648 310.0 5.461 5.461 2.996 0.000 -0.000 0.000 3/27648 320.0 5.278 5.278 2.901 0.000 -0.000 0.000 3/27648 330.0 5.107 5.107 2.812 0.000 -0.000 0.000 3/27648 340.0 4.948 4.948 2.728 0.000 -0.000 0.000 3/27648 350.0 4.798 4.798 2.650 0.000 -0.000 0.000 3/27648 360.0 4.658 4.658 2.576 0.000 -0.000 0.000 3/27648 370.0 4.526 4.526 2.506 0.000 -0.000 0.000 3/27648 380.0 4.401 4.401 2.440 0.000 -0.000 0.000 3/27648 390.0 4.283 4.283 2.377 0.000 -0.000 0.000 3/27648 400.0 4.172 4.172 2.318 0.000 -0.000 0.000 3/27648 410.0 4.066 4.066 2.261 0.000 -0.000 0.000 3/27648 420.0 3.966 3.966 2.208 0.000 -0.000 0.000 3/27648 430.0 3.871 3.871 2.157 0.000 -0.000 0.000 3/27648 440.0 3.780 3.780 2.108 0.000 -0.000 0.000 3/27648 450.0 3.693 3.693 2.061 0.000 -0.000 0.000 3/27648 460.0 3.611 3.611 2.017 0.000 -0.000 0.000 3/27648 470.0 3.532 3.532 1.974 0.000 -0.000 0.000 3/27648 480.0 3.456 3.456 1.933 0.000 -0.000 0.000 3/27648 490.0 3.384 3.384 1.894 0.000 -0.000 0.000 3/27648 500.0 3.315 3.315 1.856 0.000 -0.000 0.000 3/27648 510.0 3.249 3.249 1.820 0.000 -0.000 0.000 3/27648 520.0 3.185 3.185 1.785 0.000 -0.000 0.000 3/27648 530.0 3.124 3.124 1.752 0.000 -0.000 0.000 3/27648 540.0 3.065 3.065 1.720 0.000 -0.000 0.000 3/27648 550.0 3.008 3.008 1.689 0.000 -0.000 0.000 3/27648 560.0 2.953 2.953 1.659 0.000 -0.000 0.000 3/27648 570.0 2.901 2.901 1.630 0.000 -0.000 0.000 3/27648 580.0 2.850 2.850 1.602 0.000 -0.000 0.000 3/27648 590.0 2.801 2.801 1.575 0.000 -0.000 0.000 3/27648 600.0 2.754 2.754 1.549 0.000 -0.000 0.000 3/27648 610.0 2.708 2.708 1.524 0.000 -0.000 0.000 3/27648 620.0 2.664 2.664 1.499 0.000 -0.000 0.000 3/27648 630.0 2.621 2.621 1.476 0.000 -0.000 0.000 3/27648 640.0 2.579 2.579 1.453 0.000 -0.000 0.000 3/27648 650.0 2.539 2.539 1.431 0.000 -0.000 0.000 3/27648 660.0 2.500 2.500 1.409 0.000 -0.000 0.000 3/27648 670.0 2.463 2.463 1.388 0.000 -0.000 0.000 3/27648 680.0 2.426 2.426 1.368 0.000 -0.000 0.000 3/27648 690.0 2.391 2.391 1.348 0.000 -0.000 0.000 3/27648 700.0 2.356 2.356 1.329 0.000 -0.000 0.000 3/27648 710.0 2.323 2.323 1.311 0.000 -0.000 0.000 3/27648 720.0 2.290 2.290 1.293 0.000 -0.000 0.000 3/27648 730.0 2.259 2.259 1.275 0.000 -0.000 0.000 3/27648 740.0 2.228 2.228 1.258 0.000 -0.000 0.000 3/27648 750.0 2.198 2.198 1.241 0.000 -0.000 0.000 3/27648 760.0 2.169 2.169 1.225 0.000 -0.000 0.000 3/27648 770.0 2.140 2.140 1.209 0.000 -0.000 0.000 3/27648 780.0 2.113 2.113 1.194 0.000 -0.000 0.000 3/27648 790.0 2.086 2.086 1.179 0.000 -0.000 0.000 3/27648 800.0 2.060 2.060 1.164 0.000 -0.000 0.000 3/27648 810.0 2.034 2.034 1.150 0.000 -0.000 0.000 3/27648 820.0 2.009 2.009 1.136 0.000 -0.000 0.000 3/27648 830.0 1.985 1.985 1.122 0.000 -0.000 0.000 3/27648 840.0 1.961 1.961 1.109 0.000 -0.000 0.000 3/27648 850.0 1.938 1.938 1.096 0.000 -0.000 0.000 3/27648 860.0 1.915 1.915 1.083 0.000 -0.000 0.000 3/27648 870.0 1.893 1.893 1.071 0.000 -0.000 0.000 3/27648 880.0 1.871 1.871 1.059 0.000 -0.000 0.000 3/27648 890.0 1.850 1.850 1.047 0.000 -0.000 0.000 3/27648 900.0 1.830 1.830 1.035 0.000 -0.000 0.000 3/27648 910.0 1.809 1.809 1.024 0.000 -0.000 0.000 3/27648 920.0 1.790 1.790 1.013 0.000 -0.000 0.000 3/27648 930.0 1.770 1.770 1.002 0.000 -0.000 0.000 3/27648 940.0 1.751 1.751 0.992 0.000 -0.000 0.000 3/27648 950.0 1.733 1.733 0.981 0.000 -0.000 0.000 3/27648 960.0 1.715 1.715 0.971 0.000 -0.000 0.000 3/27648 970.0 1.697 1.697 0.961 0.000 -0.000 0.000 3/27648 980.0 1.680 1.680 0.951 0.000 -0.000 0.000 3/27648 990.0 1.663 1.663 0.942 0.000 -0.000 0.000 3/27648 1000.0 1.646 1.646 0.932 0.000 -0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:11:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|