----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:05:04]------------------------- 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-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.053756250757800 2.340437262604139 3.332187876666663 b -4.053756250757792 2.340437262604139 3.332187876666663 c 0.000000000000004 -4.680874525208286 3.332187876666663 Atomic positions (fractional): *1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 *3 Li 0.63992423272552 0.86007576727448 0.25000000000000 6.941 4 Li 0.86007576727448 0.25000000000000 0.63992423272552 6.941 5 Li 0.25000000000000 0.63992423272552 0.86007576727448 6.941 6 Li 0.13992423272552 0.75000000000000 0.36007576727448 6.941 7 Li 0.75000000000000 0.36007576727448 0.13992423272552 6.941 8 Li 0.36007576727448 0.13992423272552 0.75000000000000 6.941 *9 H 0.54908588469746 0.21013134667696 0.44336176893950 1.008 10 H 0.21013134667696 0.44336176893950 0.54908588469746 1.008 11 H 0.44336176893950 0.54908588469746 0.21013134667696 1.008 12 H 0.04908588469745 0.94336176893950 0.71013134667696 1.008 13 H 0.94336176893950 0.71013134667696 0.04908588469745 1.008 14 H 0.71013134667696 0.04908588469745 0.94336176893950 1.008 15 H 0.45091411530255 0.78986865332304 0.55663823106050 1.008 16 H 0.78986865332304 0.55663823106050 0.45091411530255 1.008 17 H 0.55663823106050 0.45091411530255 0.78986865332304 1.008 18 H 0.95091411530255 0.05663823106050 0.28986865332304 1.008 19 H 0.05663823106050 0.28986865332304 0.95091411530255 1.008 20 H 0.28986865332304 0.95091411530255 0.05663823106050 1.008 *21 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 22 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.107512501515593 0.000000000000000 0.000000000000000 b -4.053756250757797 7.021311787812426 0.000000000000000 c 0.000000000000000 0.000000000000000 9.996563630000001 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 *3 Li 0.38992423272552 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.61007576727448 0.61007576727448 0.25000000000000 6.941 > 4 5 Li 0.00000000000000 0.38992423272552 0.25000000000000 6.941 > 5 6 Li 0.05659089939218 0.72325756605885 0.08333333333333 6.941 > 6 7 Li 0.66666666666667 0.94340910060782 0.08333333333333 6.941 > 7 8 Li 0.27674243394115 0.33333333333333 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.05659089939218 0.33333333333333 0.58333333333333 6.941 > 3 12 Li 0.27674243394115 0.94340910060782 0.58333333333333 6.941 > 4 13 Li 0.66666666666667 0.72325756605885 0.58333333333333 6.941 > 5 14 Li 0.72325756605885 0.05659089939218 0.41666666666667 6.941 > 6 15 Li 0.33333333333333 0.27674243394115 0.41666666666667 6.941 > 7 16 Li 0.94340910060782 0.66666666666667 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.72325756605885 0.66666666666667 0.91666666666667 6.941 > 3 20 Li 0.94340910060782 0.27674243394115 0.91666666666667 6.941 > 4 21 Li 0.33333333333333 0.05659089939218 0.91666666666667 6.941 > 5 22 Li 0.38992423272552 0.38992423272552 0.75000000000000 6.941 > 6 23 Li 0.00000000000000 0.61007576727448 0.75000000000000 6.941 > 7 24 Li 0.61007576727448 0.00000000000000 0.75000000000000 6.941 > 8 *25 H 0.48155955125948 0.62416456449847 0.06752633343797 1.008 > 9 26 H 0.14260501323899 0.51844044874052 0.06752633343797 1.008 > 10 27 H 0.37583543550153 0.85739498676101 0.06752633343797 1.008 > 11 28 H 0.81489288459281 0.52406165342768 0.23419300010464 1.008 > 12 29 H 0.70916876883487 0.18510711540718 0.23419300010464 1.008 > 13 30 H 0.47593834657232 0.29083123116513 0.23419300010464 1.008 > 14 31 H 0.18510711540718 0.70916876883487 0.26580699989536 1.008 > 15 32 H 0.52406165342768 0.81489288459281 0.26580699989536 1.008 > 16 33 H 0.29083123116513 0.47593834657232 0.26580699989536 1.008 > 17 34 H 0.85177378207385 0.80927167990565 0.09914033322869 1.008 > 18 35 H 0.95749789783180 0.14822621792615 0.09914033322869 1.008 > 19 36 H 0.19072832009435 0.04250210216820 0.09914033322869 1.008 > 20 37 H 0.14822621792615 0.95749789783180 0.40085966677131 1.008 > 9 38 H 0.80927167990565 0.85177378207385 0.40085966677131 1.008 > 10 39 H 0.04250210216820 0.19072832009435 0.40085966677131 1.008 > 11 40 H 0.48155955125948 0.85739498676101 0.56752633343797 1.008 > 12 41 H 0.37583543550153 0.51844044874052 0.56752633343797 1.008 > 13 42 H 0.14260501323899 0.62416456449847 0.56752633343797 1.008 > 14 43 H 0.85177378207385 0.04250210216820 0.59914033322869 1.008 > 15 44 H 0.19072832009435 0.14822621792615 0.59914033322869 1.008 > 16 45 H 0.95749789783180 0.80927167990565 0.59914033322869 1.008 > 17 46 H 0.51844044874052 0.14260501323899 0.43247366656203 1.008 > 18 47 H 0.62416456449847 0.48155955125948 0.43247366656203 1.008 > 19 48 H 0.85739498676101 0.37583543550153 0.43247366656203 1.008 > 20 49 H 0.81489288459281 0.29083123116513 0.73419300010464 1.008 > 9 50 H 0.47593834657232 0.18510711540718 0.73419300010464 1.008 > 10 51 H 0.70916876883487 0.52406165342768 0.73419300010464 1.008 > 11 52 H 0.14822621792615 0.19072832009435 0.90085966677131 1.008 > 12 53 H 0.04250210216820 0.85177378207385 0.90085966677131 1.008 > 13 54 H 0.80927167990565 0.95749789783180 0.90085966677131 1.008 > 14 55 H 0.51844044874052 0.37583543550153 0.93247366656203 1.008 > 15 56 H 0.85739498676101 0.48155955125948 0.93247366656203 1.008 > 16 57 H 0.62416456449847 0.14260501323899 0.93247366656203 1.008 > 17 58 H 0.18510711540718 0.47593834657232 0.76580699989536 1.008 > 18 59 H 0.29083123116513 0.81489288459281 0.76580699989536 1.008 > 19 60 H 0.52406165342768 0.70916876883487 0.76580699989536 1.008 > 20 *61 Os 0.33333333333333 0.66666666666667 0.16666666666667 190.230 > 21 62 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 22 63 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 21 64 Os 0.66666666666667 0.33333333333333 0.33333333333333 190.230 > 22 65 Os 0.66666666666667 0.33333333333333 0.83333333333333 190.230 > 21 66 Os 0.33333333333333 0.66666666666667 0.66666666666667 190.230 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.107512501515593 0.000000000000000 0.000000000000000 b -4.053756250757797 7.021311787812426 0.000000000000000 c 0.000000000000000 0.000000000000000 9.996563630000001 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 *3 Li 0.38992423272552 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.61007576727448 0.61007576727448 0.25000000000000 6.941 > 4 5 Li 0.00000000000000 0.38992423272552 0.25000000000000 6.941 > 5 6 Li 0.05659089939218 0.72325756605885 0.08333333333333 6.941 > 6 7 Li 0.66666666666667 0.94340910060782 0.08333333333333 6.941 > 7 8 Li 0.27674243394115 0.33333333333333 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.05659089939218 0.33333333333333 0.58333333333333 6.941 > 3 12 Li 0.27674243394115 0.94340910060782 0.58333333333333 6.941 > 4 13 Li 0.66666666666667 0.72325756605885 0.58333333333333 6.941 > 5 14 Li 0.72325756605885 0.05659089939218 0.41666666666667 6.941 > 6 15 Li 0.33333333333333 0.27674243394115 0.41666666666667 6.941 > 7 16 Li 0.94340910060782 0.66666666666667 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.72325756605885 0.66666666666667 0.91666666666667 6.941 > 3 20 Li 0.94340910060782 0.27674243394115 0.91666666666667 6.941 > 4 21 Li 0.33333333333333 0.05659089939218 0.91666666666667 6.941 > 5 22 Li 0.38992423272552 0.38992423272552 0.75000000000000 6.941 > 6 23 Li 0.00000000000000 0.61007576727448 0.75000000000000 6.941 > 7 24 Li 0.61007576727448 0.00000000000000 0.75000000000000 6.941 > 8 *25 H 0.48155955125948 0.62416456449847 0.06752633343797 1.008 > 9 26 H 0.14260501323899 0.51844044874052 0.06752633343797 1.008 > 10 27 H 0.37583543550153 0.85739498676101 0.06752633343797 1.008 > 11 28 H 0.81489288459281 0.52406165342768 0.23419300010464 1.008 > 12 29 H 0.70916876883487 0.18510711540718 0.23419300010464 1.008 > 13 30 H 0.47593834657232 0.29083123116513 0.23419300010464 1.008 > 14 31 H 0.18510711540718 0.70916876883487 0.26580699989536 1.008 > 15 32 H 0.52406165342768 0.81489288459281 0.26580699989536 1.008 > 16 33 H 0.29083123116513 0.47593834657232 0.26580699989536 1.008 > 17 34 H 0.85177378207385 0.80927167990565 0.09914033322869 1.008 > 18 35 H 0.95749789783180 0.14822621792615 0.09914033322869 1.008 > 19 36 H 0.19072832009435 0.04250210216820 0.09914033322869 1.008 > 20 37 H 0.14822621792615 0.95749789783180 0.40085966677131 1.008 > 9 38 H 0.80927167990565 0.85177378207385 0.40085966677131 1.008 > 10 39 H 0.04250210216820 0.19072832009435 0.40085966677131 1.008 > 11 40 H 0.48155955125948 0.85739498676101 0.56752633343797 1.008 > 12 41 H 0.37583543550153 0.51844044874052 0.56752633343797 1.008 > 13 42 H 0.14260501323899 0.62416456449847 0.56752633343797 1.008 > 14 43 H 0.85177378207385 0.04250210216820 0.59914033322869 1.008 > 15 44 H 0.19072832009435 0.14822621792615 0.59914033322869 1.008 > 16 45 H 0.95749789783180 0.80927167990565 0.59914033322869 1.008 > 17 46 H 0.51844044874052 0.14260501323899 0.43247366656203 1.008 > 18 47 H 0.62416456449847 0.48155955125948 0.43247366656203 1.008 > 19 48 H 0.85739498676101 0.37583543550153 0.43247366656203 1.008 > 20 49 H 0.81489288459281 0.29083123116513 0.73419300010464 1.008 > 9 50 H 0.47593834657232 0.18510711540718 0.73419300010464 1.008 > 10 51 H 0.70916876883487 0.52406165342768 0.73419300010464 1.008 > 11 52 H 0.14822621792615 0.19072832009435 0.90085966677131 1.008 > 12 53 H 0.04250210216820 0.85177378207385 0.90085966677131 1.008 > 13 54 H 0.80927167990565 0.95749789783180 0.90085966677131 1.008 > 14 55 H 0.51844044874052 0.37583543550153 0.93247366656203 1.008 > 15 56 H 0.85739498676101 0.48155955125948 0.93247366656203 1.008 > 16 57 H 0.62416456449847 0.14260501323899 0.93247366656203 1.008 > 17 58 H 0.18510711540718 0.47593834657232 0.76580699989536 1.008 > 18 59 H 0.29083123116513 0.81489288459281 0.76580699989536 1.008 > 19 60 H 0.52406165342768 0.70916876883487 0.76580699989536 1.008 > 20 *61 Os 0.33333333333333 0.66666666666667 0.16666666666667 190.230 > 21 62 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 22 63 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 21 64 Os 0.66666666666667 0.33333333333333 0.33333333333333 190.230 > 22 65 Os 0.66666666666667 0.33333333333333 0.83333333333333 190.230 > 21 66 Os 0.33333333333333 0.66666666666667 0.66666666666667 190.230 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4996307 0.0000000 0.0000000 0.0000000 4.4996307 0.0000000 0.0000000 0.0000000 4.6441003 -------------------------- Born effective charges -------------------------- 1 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 2 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 3 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 4 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 5 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 6 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 7 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 8 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 9 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 10 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 11 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 12 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 13 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 14 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 15 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 16 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 17 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 18 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 19 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 20 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 21 Os -2.4403390 0.2187248 0.0000000 -0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 22 Os -2.4403390 -0.2187248 0.0000000 0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 296 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: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.313 Solver_block: 200 / 240 - Time: 0.319 Solver_block: 240 / 240 - Time: 0.146 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.791 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 296 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: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), 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 21:05:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:05:11]------------------------- 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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.053756250757800 2.340437262604139 3.332187876666663 b -4.053756250757792 2.340437262604139 3.332187876666663 c 0.000000000000004 -4.680874525208286 3.332187876666663 Atomic positions (fractional): 1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 3 Li 0.63992423272552 0.86007576727448 0.25000000000000 6.941 4 Li 0.86007576727448 0.25000000000000 0.63992423272552 6.941 5 Li 0.25000000000000 0.63992423272552 0.86007576727448 6.941 6 Li 0.13992423272552 0.75000000000000 0.36007576727448 6.941 7 Li 0.75000000000000 0.36007576727448 0.13992423272552 6.941 8 Li 0.36007576727448 0.13992423272552 0.75000000000000 6.941 9 H 0.54908588469746 0.21013134667696 0.44336176893950 1.008 10 H 0.21013134667696 0.44336176893950 0.54908588469746 1.008 11 H 0.44336176893950 0.54908588469746 0.21013134667696 1.008 12 H 0.04908588469745 0.94336176893950 0.71013134667696 1.008 13 H 0.94336176893950 0.71013134667696 0.04908588469745 1.008 14 H 0.71013134667696 0.04908588469745 0.94336176893950 1.008 15 H 0.45091411530255 0.78986865332304 0.55663823106050 1.008 16 H 0.78986865332304 0.55663823106050 0.45091411530255 1.008 17 H 0.55663823106050 0.45091411530255 0.78986865332304 1.008 18 H 0.95091411530255 0.05663823106050 0.28986865332304 1.008 19 H 0.05663823106050 0.28986865332304 0.95091411530255 1.008 20 H 0.28986865332304 0.95091411530255 0.05663823106050 1.008 21 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 22 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.107512501515593 0.000000000000000 0.000000000000000 b -4.053756250757797 7.021311787812426 0.000000000000000 c 0.000000000000000 0.000000000000000 9.996563630000001 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 3 Li 0.38992423272552 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.61007576727448 0.61007576727448 0.25000000000000 6.941 > 4 5 Li 0.00000000000000 0.38992423272552 0.25000000000000 6.941 > 5 6 Li 0.05659089939218 0.72325756605885 0.08333333333333 6.941 > 6 7 Li 0.66666666666667 0.94340910060782 0.08333333333333 6.941 > 7 8 Li 0.27674243394115 0.33333333333333 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.05659089939218 0.33333333333333 0.58333333333333 6.941 > 3 12 Li 0.27674243394115 0.94340910060782 0.58333333333333 6.941 > 4 13 Li 0.66666666666667 0.72325756605885 0.58333333333333 6.941 > 5 14 Li 0.72325756605885 0.05659089939218 0.41666666666667 6.941 > 6 15 Li 0.33333333333333 0.27674243394115 0.41666666666667 6.941 > 7 16 Li 0.94340910060782 0.66666666666667 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.72325756605885 0.66666666666667 0.91666666666667 6.941 > 3 20 Li 0.94340910060782 0.27674243394115 0.91666666666667 6.941 > 4 21 Li 0.33333333333333 0.05659089939218 0.91666666666667 6.941 > 5 22 Li 0.38992423272552 0.38992423272552 0.75000000000000 6.941 > 6 23 Li 0.00000000000000 0.61007576727448 0.75000000000000 6.941 > 7 24 Li 0.61007576727448 0.00000000000000 0.75000000000000 6.941 > 8 25 H 0.48155955125948 0.62416456449847 0.06752633343797 1.008 > 25 26 H 0.14260501323899 0.51844044874052 0.06752633343797 1.008 > 26 27 H 0.37583543550153 0.85739498676101 0.06752633343797 1.008 > 27 28 H 0.81489288459281 0.52406165342768 0.23419300010464 1.008 > 28 29 H 0.70916876883487 0.18510711540718 0.23419300010464 1.008 > 29 30 H 0.47593834657232 0.29083123116513 0.23419300010464 1.008 > 30 31 H 0.18510711540718 0.70916876883487 0.26580699989536 1.008 > 31 32 H 0.52406165342768 0.81489288459281 0.26580699989536 1.008 > 32 33 H 0.29083123116513 0.47593834657232 0.26580699989536 1.008 > 33 34 H 0.85177378207385 0.80927167990565 0.09914033322869 1.008 > 34 35 H 0.95749789783180 0.14822621792615 0.09914033322869 1.008 > 35 36 H 0.19072832009435 0.04250210216820 0.09914033322869 1.008 > 36 37 H 0.14822621792615 0.95749789783180 0.40085966677131 1.008 > 25 38 H 0.80927167990565 0.85177378207385 0.40085966677131 1.008 > 26 39 H 0.04250210216820 0.19072832009435 0.40085966677131 1.008 > 27 40 H 0.48155955125948 0.85739498676101 0.56752633343797 1.008 > 28 41 H 0.37583543550153 0.51844044874052 0.56752633343797 1.008 > 29 42 H 0.14260501323899 0.62416456449847 0.56752633343797 1.008 > 30 43 H 0.85177378207385 0.04250210216820 0.59914033322869 1.008 > 31 44 H 0.19072832009435 0.14822621792615 0.59914033322869 1.008 > 32 45 H 0.95749789783180 0.80927167990565 0.59914033322869 1.008 > 33 46 H 0.51844044874052 0.14260501323899 0.43247366656203 1.008 > 34 47 H 0.62416456449847 0.48155955125948 0.43247366656203 1.008 > 35 48 H 0.85739498676101 0.37583543550153 0.43247366656203 1.008 > 36 49 H 0.81489288459281 0.29083123116513 0.73419300010464 1.008 > 25 50 H 0.47593834657232 0.18510711540718 0.73419300010464 1.008 > 26 51 H 0.70916876883487 0.52406165342768 0.73419300010464 1.008 > 27 52 H 0.14822621792615 0.19072832009435 0.90085966677131 1.008 > 28 53 H 0.04250210216820 0.85177378207385 0.90085966677131 1.008 > 29 54 H 0.80927167990565 0.95749789783180 0.90085966677131 1.008 > 30 55 H 0.51844044874052 0.37583543550153 0.93247366656203 1.008 > 31 56 H 0.85739498676101 0.48155955125948 0.93247366656203 1.008 > 32 57 H 0.62416456449847 0.14260501323899 0.93247366656203 1.008 > 33 58 H 0.18510711540718 0.47593834657232 0.76580699989536 1.008 > 34 59 H 0.29083123116513 0.81489288459281 0.76580699989536 1.008 > 35 60 H 0.52406165342768 0.70916876883487 0.76580699989536 1.008 > 36 61 Os 0.33333333333333 0.66666666666667 0.16666666666667 190.230 > 61 62 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 62 63 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 61 64 Os 0.66666666666667 0.33333333333333 0.33333333333333 190.230 > 62 65 Os 0.66666666666667 0.33333333333333 0.83333333333333 190.230 > 61 66 Os 0.33333333333333 0.66666666666667 0.66666666666667 190.230 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4996307 0.0000000 0.0000000 0.0000000 4.4996307 0.0000000 0.0000000 0.0000000 4.6441003 -------------------------- Born effective charges -------------------------- 1 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 2 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 3 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 4 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 5 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 6 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 7 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 8 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 9 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 10 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 11 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 12 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 13 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 14 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 15 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 16 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 17 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 18 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 19 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 20 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 21 Os -2.4403390 0.2187248 0.0000000 -0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 22 Os -2.4403390 -0.2187248 0.0000000 0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, 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 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) 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 21:05:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:05:19]------------------------- 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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.053756250757800 2.340437262604139 3.332187876666663 b -4.053756250757792 2.340437262604139 3.332187876666663 c 0.000000000000004 -4.680874525208286 3.332187876666663 Atomic positions (fractional): 1 Li 0.25000000000000 0.25000000000000 0.25000000000000 6.941 2 Li 0.75000000000000 0.75000000000000 0.75000000000000 6.941 3 Li 0.63992423272552 0.86007576727448 0.25000000000000 6.941 4 Li 0.86007576727448 0.25000000000000 0.63992423272552 6.941 5 Li 0.25000000000000 0.63992423272552 0.86007576727448 6.941 6 Li 0.13992423272552 0.75000000000000 0.36007576727448 6.941 7 Li 0.75000000000000 0.36007576727448 0.13992423272552 6.941 8 Li 0.36007576727448 0.13992423272552 0.75000000000000 6.941 9 H 0.54908588469746 0.21013134667696 0.44336176893950 1.008 10 H 0.21013134667696 0.44336176893950 0.54908588469746 1.008 11 H 0.44336176893950 0.54908588469746 0.21013134667696 1.008 12 H 0.04908588469745 0.94336176893950 0.71013134667696 1.008 13 H 0.94336176893950 0.71013134667696 0.04908588469745 1.008 14 H 0.71013134667696 0.04908588469745 0.94336176893950 1.008 15 H 0.45091411530255 0.78986865332304 0.55663823106050 1.008 16 H 0.78986865332304 0.55663823106050 0.45091411530255 1.008 17 H 0.55663823106050 0.45091411530255 0.78986865332304 1.008 18 H 0.95091411530255 0.05663823106050 0.28986865332304 1.008 19 H 0.05663823106050 0.28986865332304 0.95091411530255 1.008 20 H 0.28986865332304 0.95091411530255 0.05663823106050 1.008 21 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 22 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.107512501515593 0.000000000000000 0.000000000000000 b -4.053756250757797 7.021311787812426 0.000000000000000 c 0.000000000000000 0.000000000000000 9.996563630000001 Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.91666666666667 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.41666666666667 6.941 > 2 3 Li 0.38992423272552 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.61007576727448 0.61007576727448 0.25000000000000 6.941 > 4 5 Li 0.00000000000000 0.38992423272552 0.25000000000000 6.941 > 5 6 Li 0.05659089939218 0.72325756605885 0.08333333333333 6.941 > 6 7 Li 0.66666666666667 0.94340910060782 0.08333333333333 6.941 > 7 8 Li 0.27674243394115 0.33333333333333 0.08333333333333 6.941 > 8 9 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 11 Li 0.05659089939218 0.33333333333333 0.58333333333333 6.941 > 3 12 Li 0.27674243394115 0.94340910060782 0.58333333333333 6.941 > 4 13 Li 0.66666666666667 0.72325756605885 0.58333333333333 6.941 > 5 14 Li 0.72325756605885 0.05659089939218 0.41666666666667 6.941 > 6 15 Li 0.33333333333333 0.27674243394115 0.41666666666667 6.941 > 7 16 Li 0.94340910060782 0.66666666666667 0.41666666666667 6.941 > 8 17 Li 0.66666666666667 0.33333333333333 0.58333333333333 6.941 > 1 18 Li 0.66666666666667 0.33333333333333 0.08333333333333 6.941 > 2 19 Li 0.72325756605885 0.66666666666667 0.91666666666667 6.941 > 3 20 Li 0.94340910060782 0.27674243394115 0.91666666666667 6.941 > 4 21 Li 0.33333333333333 0.05659089939218 0.91666666666667 6.941 > 5 22 Li 0.38992423272552 0.38992423272552 0.75000000000000 6.941 > 6 23 Li 0.00000000000000 0.61007576727448 0.75000000000000 6.941 > 7 24 Li 0.61007576727448 0.00000000000000 0.75000000000000 6.941 > 8 25 H 0.48155955125948 0.62416456449847 0.06752633343797 1.008 > 25 26 H 0.14260501323899 0.51844044874052 0.06752633343797 1.008 > 26 27 H 0.37583543550153 0.85739498676101 0.06752633343797 1.008 > 27 28 H 0.81489288459281 0.52406165342768 0.23419300010464 1.008 > 28 29 H 0.70916876883487 0.18510711540718 0.23419300010464 1.008 > 29 30 H 0.47593834657232 0.29083123116513 0.23419300010464 1.008 > 30 31 H 0.18510711540718 0.70916876883487 0.26580699989536 1.008 > 31 32 H 0.52406165342768 0.81489288459281 0.26580699989536 1.008 > 32 33 H 0.29083123116513 0.47593834657232 0.26580699989536 1.008 > 33 34 H 0.85177378207385 0.80927167990565 0.09914033322869 1.008 > 34 35 H 0.95749789783180 0.14822621792615 0.09914033322869 1.008 > 35 36 H 0.19072832009435 0.04250210216820 0.09914033322869 1.008 > 36 37 H 0.14822621792615 0.95749789783180 0.40085966677131 1.008 > 25 38 H 0.80927167990565 0.85177378207385 0.40085966677131 1.008 > 26 39 H 0.04250210216820 0.19072832009435 0.40085966677131 1.008 > 27 40 H 0.48155955125948 0.85739498676101 0.56752633343797 1.008 > 28 41 H 0.37583543550153 0.51844044874052 0.56752633343797 1.008 > 29 42 H 0.14260501323899 0.62416456449847 0.56752633343797 1.008 > 30 43 H 0.85177378207385 0.04250210216820 0.59914033322869 1.008 > 31 44 H 0.19072832009435 0.14822621792615 0.59914033322869 1.008 > 32 45 H 0.95749789783180 0.80927167990565 0.59914033322869 1.008 > 33 46 H 0.51844044874052 0.14260501323899 0.43247366656203 1.008 > 34 47 H 0.62416456449847 0.48155955125948 0.43247366656203 1.008 > 35 48 H 0.85739498676101 0.37583543550153 0.43247366656203 1.008 > 36 49 H 0.81489288459281 0.29083123116513 0.73419300010464 1.008 > 25 50 H 0.47593834657232 0.18510711540718 0.73419300010464 1.008 > 26 51 H 0.70916876883487 0.52406165342768 0.73419300010464 1.008 > 27 52 H 0.14822621792615 0.19072832009435 0.90085966677131 1.008 > 28 53 H 0.04250210216820 0.85177378207385 0.90085966677131 1.008 > 29 54 H 0.80927167990565 0.95749789783180 0.90085966677131 1.008 > 30 55 H 0.51844044874052 0.37583543550153 0.93247366656203 1.008 > 31 56 H 0.85739498676101 0.48155955125948 0.93247366656203 1.008 > 32 57 H 0.62416456449847 0.14260501323899 0.93247366656203 1.008 > 33 58 H 0.18510711540718 0.47593834657232 0.76580699989536 1.008 > 34 59 H 0.29083123116513 0.81489288459281 0.76580699989536 1.008 > 35 60 H 0.52406165342768 0.70916876883487 0.76580699989536 1.008 > 36 61 Os 0.33333333333333 0.66666666666667 0.16666666666667 190.230 > 61 62 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 62 63 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 61 64 Os 0.66666666666667 0.33333333333333 0.33333333333333 190.230 > 62 65 Os 0.66666666666667 0.33333333333333 0.83333333333333 190.230 > 61 66 Os 0.33333333333333 0.66666666666667 0.66666666666667 190.230 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4996307 0.0000000 0.0000000 0.0000000 4.4996307 0.0000000 0.0000000 0.0000000 4.6441003 -------------------------- Born effective charges -------------------------- 1 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 2 Li 0.6902769 0.0000000 0.0000000 0.0000000 0.6902769 -0.0000000 0.0000000 0.0000000 1.3219963 3 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 4 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 5 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 6 Li 1.1903598 -0.0706270 0.1788275 -0.0706270 1.1088067 -0.1032461 0.1549029 -0.0894333 0.9574323 7 Li 1.1903598 0.0706270 -0.1788275 0.0706270 1.1088067 -0.1032461 -0.1549029 -0.0894333 0.9574323 8 Li 1.0680302 0.0000000 -0.0000000 0.0000000 1.2311364 0.2064922 0.0000000 0.1788665 0.9574323 9 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 10 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 11 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 12 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 13 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 14 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 15 H -0.6868728 0.1699889 0.5719442 0.1178970 0.1206436 -0.0652797 0.5969266 -0.1353025 -0.3219519 16 H -0.2058938 -0.3955904 -0.3425060 -0.4476823 -0.3603355 -0.4626784 -0.4156387 -0.4493024 -0.3219519 17 H 0.0434228 0.3037393 -0.2294383 0.2516475 -0.6096520 0.5279581 -0.1812879 0.5846049 -0.3219519 18 H 0.0434228 -0.3037393 0.2294383 -0.2516475 -0.6096520 0.5279581 0.1812879 0.5846049 -0.3219519 19 H -0.2058938 0.3955904 0.3425060 0.4476823 -0.3603355 -0.4626784 0.4156387 -0.4493024 -0.3219519 20 H -0.6868728 -0.1699889 -0.5719442 -0.1178970 0.1206436 -0.0652797 -0.5969266 -0.1353025 -0.3219519 21 Os -2.4403390 0.2187248 0.0000000 -0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 22 Os -2.4403390 -0.2187248 0.0000000 0.2187247 -2.4403390 -0.0000000 0.0000000 0.0000000 -2.2625818 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -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 3.693 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 12.122 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.831 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 16.534 ( 0.000 0.000 0.000) 0.000 16.684 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.336 ( 0.000 0.000 0.000) 0.000 21.679 ( 0.000 0.000 0.000) 0.000 21.679 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.729 ( 0.000 0.000 0.000) 0.000 22.870 ( 0.000 0.000 0.000) 0.000 22.870 ( 0.000 0.000 0.000) 0.000 23.042 ( 0.000 0.000 0.000) 0.000 23.477 ( 0.000 0.000 0.000) 0.000 23.477 ( 0.000 0.000 0.000) 0.000 23.636 ( 0.000 0.000 0.000) 0.000 23.636 ( 0.000 0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 24.171 ( 0.000 0.000 0.000) 0.000 47.840 ( 0.000 0.000 0.000) 0.000 47.840 ( 0.000 0.000 0.000) 0.000 47.847 ( 0.000 0.000 0.000) 0.000 49.233 ( 0.000 0.000 0.000) 0.000 49.341 ( 0.000 0.000 0.000) 0.000 49.341 ( 0.000 0.000 0.000) 0.000 57.534 ( 0.000 0.000 0.000) 0.000 57.534 ( 0.000 0.000 0.000) 0.000 57.830 ( 0.000 0.000 0.000) 0.000 57.830 ( 0.000 0.000 0.000) 0.000 57.999 ( 0.000 0.000 0.000) 0.000 58.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 14.866 8.583 23.470) 29.077 0.570 ( 21.296 12.295 15.143) 28.879 0.819 ( 31.447 18.156 19.940) 41.427 3.572 ( -8.253 -4.765 -6.486) 11.527 3.669 ( -2.916 -1.684 -0.002) 3.367 3.939 ( -3.257 -1.880 -7.387) 8.289 4.452 ( -1.005 -0.580 5.254) 5.380 4.498 ( 0.531 0.306 9.302) 9.323 4.730 ( 4.182 2.415 0.864) 4.906 5.416 ( 3.241 1.871 -1.246) 3.944 5.661 ( 8.871 5.122 -12.794) 16.390 6.100 ( -4.025 -2.324 4.151) 6.231 6.123 ( -5.526 -3.190 -4.292) 7.690 6.566 ( -0.784 -0.452 2.972) 3.107 6.747 ( 2.887 1.667 -3.132) 4.574 6.794 ( 3.543 2.046 3.453) 5.354 8.302 ( 0.907 0.524 -0.950) 1.414 8.397 ( 7.767 4.484 6.949) 11.346 9.201 ( -5.788 -3.341 -5.297) 8.528 9.315 ( 2.837 1.638 4.746) 5.766 11.767 ( -7.318 -4.225 -6.614) 10.731 11.775 ( -7.211 -4.163 -4.830) 9.626 12.052 ( 0.633 0.365 -0.220) 0.763 12.144 ( -2.178 -1.257 3.336) 4.177 12.201 ( 1.361 0.786 -1.326) 2.057 12.245 ( 1.915 1.106 1.831) 2.871 12.998 ( -1.389 -0.802 -1.808) 2.417 13.398 ( -5.223 -3.016 -12.676) 14.038 13.844 ( -0.615 -0.355 3.255) 3.331 13.916 ( 30.910 17.846 -40.427) 53.928 14.599 ( 0.151 0.087 0.027) 0.177 14.617 ( 0.997 0.575 1.717) 2.067 14.840 ( -0.980 -0.566 -0.631) 1.295 14.856 ( 0.661 0.381 -0.571) 0.953 16.683 ( -0.345 -0.199 0.533) 0.666 16.898 ( -23.190 -13.389 35.410) 44.395 20.971 ( 1.059 0.612 1.491) 1.929 21.331 ( -0.921 -0.532 0.464) 1.160 21.687 ( 0.523 0.302 0.603) 0.854 21.708 ( 2.055 1.186 -0.189) 2.380 22.038 ( -0.959 -0.554 0.546) 1.235 22.051 ( -0.600 -0.346 -4.343) 4.397 22.242 ( 2.026 1.170 0.608) 2.417 22.260 ( 2.538 1.465 1.880) 3.481 22.749 ( 1.405 0.811 1.213) 2.026 22.853 ( -1.308 -0.755 -0.834) 1.725 22.855 ( -1.232 -0.711 -0.702) 1.586 23.050 ( 0.353 0.204 0.738) 0.844 23.488 ( 1.103 0.637 0.090) 1.277 23.537 ( 2.502 1.445 -5.125) 5.883 23.633 ( -0.755 -0.436 0.702) 1.119 23.642 ( 0.267 0.154 -0.294) 0.426 23.954 ( -0.769 -0.444 2.115) 2.294 24.161 ( -0.618 -0.357 -0.580) 0.920 47.917 ( 6.739 3.891 1.859) 8.001 47.997 ( 11.040 6.374 8.613) 15.385 48.837 ( -15.078 -8.705 31.824) 36.276 49.261 ( -0.167 -0.097 0.889) 0.910 49.408 ( 5.227 3.018 7.855) 9.906 51.133 ( 13.117 7.573 -10.624) 18.501 57.509 ( -1.225 -0.707 -2.922) 3.246 57.547 ( 1.435 0.829 -0.628) 1.772 57.796 ( -1.937 -1.119 -2.990) 3.734 57.824 ( -0.766 -0.442 0.146) 0.896 57.993 ( 0.393 0.227 -0.872) 0.983 58.165 ( -0.956 -0.552 -0.931) 1.444 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 14.790 8.539 24.213) 29.630 1.104 ( 19.743 11.399 13.083) 26.285 1.569 ( 28.144 16.249 15.882) 36.171 3.305 ( -11.796 -6.811 -6.355) 15.031 3.557 ( -8.727 -5.039 -3.737) 10.748 3.751 ( -4.923 -2.842 -10.206) 11.682 4.520 ( -0.149 -0.086 8.650) 8.651 4.636 ( 0.404 0.233 13.222) 13.231 4.824 ( 5.242 3.027 -0.448) 6.070 5.483 ( 5.550 3.204 -1.265) 6.532 5.702 ( 2.973 1.716 1.078) 3.598 5.921 ( -8.296 -4.790 -8.515) 12.817 6.063 ( -0.699 -0.404 -2.717) 2.834 6.560 ( -3.027 -1.748 0.813) 3.588 6.797 ( 5.393 3.114 -0.396) 6.240 6.930 ( 5.535 3.196 5.307) 8.308 8.282 ( -0.547 -0.316 -3.753) 3.806 8.710 ( 14.529 8.388 10.648) 19.870 8.972 ( -10.076 -5.817 -7.715) 13.960 9.498 ( 8.283 4.782 10.459) 14.173 11.463 ( -14.142 -8.165 -12.247) 20.412 11.522 ( -11.622 -6.710 -8.875) 16.089 12.061 ( 0.195 0.113 0.256) 0.341 12.148 ( 0.089 0.051 -0.288) 0.306 12.228 ( 4.284 2.473 -2.677) 5.624 12.303 ( 2.420 1.397 2.267) 3.599 12.930 ( -2.811 -1.623 -3.512) 4.783 13.136 ( -9.772 -5.642 -8.508) 14.132 13.878 ( -1.430 -0.826 6.062) 6.283 14.007 ( 14.958 8.636 -19.127) 25.771 14.607 ( 0.226 0.130 0.919) 0.955 14.667 ( 1.938 1.119 2.203) 3.140 14.807 ( -1.807 -1.043 -0.330) 2.113 14.862 ( 1.322 0.763 -1.675) 2.266 16.684 ( -0.378 -0.218 0.909) 1.008 16.856 ( -10.974 -6.336 13.488) 18.507 21.020 ( 2.170 1.253 1.825) 3.100 21.311 ( -1.871 -1.080 0.543) 2.228 21.711 ( 0.946 0.546 1.190) 1.615 21.757 ( 3.105 1.793 0.288) 3.597 21.986 ( -1.545 -0.892 -3.423) 3.860 22.022 ( -1.493 -0.862 0.568) 1.815 22.304 ( 3.399 1.963 1.486) 4.197 22.337 ( 3.087 1.782 2.353) 4.271 22.804 ( 1.183 0.683 1.768) 2.235 22.807 ( -1.086 -0.627 -1.032) 1.624 22.811 ( -2.258 -1.304 -1.381) 2.951 23.067 ( 0.212 0.122 0.884) 0.917 23.516 ( 1.864 1.076 -0.003) 2.153 23.524 ( 1.383 0.799 -3.522) 3.867 23.623 ( -1.570 -0.907 1.219) 2.185 23.643 ( -0.104 -0.060 0.096) 0.153 23.968 ( 0.468 0.270 0.991) 1.129 24.136 ( -1.101 -0.636 -0.998) 1.616 48.118 ( 11.592 6.692 3.393) 13.808 48.372 ( 15.822 9.135 11.008) 21.330 48.938 ( -5.654 -3.264 19.535) 20.597 49.225 ( -4.447 -2.568 0.859) 5.206 49.729 ( 14.651 8.459 16.330) 23.513 51.282 ( 8.586 4.957 -0.382) 9.921 57.415 ( -3.909 -2.257 -5.487) 7.105 57.533 ( -1.739 -1.004 -4.622) 5.039 57.722 ( -0.775 -0.448 -2.525) 2.679 57.807 ( -0.681 -0.393 -0.547) 0.958 58.006 ( 2.059 1.189 -0.792) 2.506 58.142 ( -0.800 -0.462 0.153) 0.937 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 17.420 10.057 9.918) 22.427 1.601 ( 13.547 7.821 24.710) 29.245 2.162 ( 21.135 12.203 6.707) 25.310 3.052 ( -9.346 -5.396 -0.639) 10.811 3.241 ( -14.915 -8.611 -12.120) 21.060 3.563 ( -5.865 -3.386 -7.561) 10.150 4.626 ( 0.638 0.368 9.021) 9.051 4.776 ( 0.261 0.151 8.135) 8.140 4.918 ( 4.624 2.670 3.562) 6.419 5.585 ( 6.365 3.675 -1.420) 7.486 5.652 ( -8.580 -4.954 -10.329) 14.312 5.782 ( 0.182 0.105 6.281) 6.285 6.033 ( 3.058 1.765 -4.683) 5.865 6.465 ( -5.513 -3.183 -3.423) 7.228 6.939 ( 6.900 3.984 5.031) 9.423 7.091 ( 5.301 3.061 4.639) 7.680 8.209 ( -0.970 -0.560 -5.648) 5.758 8.622 ( -14.040 -8.106 -8.003) 18.080 9.211 ( 20.826 12.024 14.540) 28.102 9.839 ( 13.384 7.727 14.181) 20.974 10.995 ( -19.375 -11.186 -15.939) 27.470 11.166 ( -14.213 -8.206 -12.263) 20.487 12.066 ( -0.384 -0.221 1.069) 1.157 12.131 ( -0.238 -0.137 -2.334) 2.351 12.301 ( 7.262 4.193 -3.131) 8.951 12.393 ( 3.678 2.123 3.791) 5.693 12.821 ( -3.859 -2.228 -4.824) 6.567 12.870 ( -11.395 -6.579 -4.019) 13.758 13.923 ( -2.394 -1.382 8.319) 8.766 14.037 ( 8.627 4.981 -14.114) 17.276 14.629 ( 0.123 0.071 2.539) 2.543 14.722 ( 3.682 2.126 -3.242) 5.347 14.777 ( -3.652 -2.109 5.310) 6.781 14.863 ( 1.725 0.996 -3.352) 3.899 16.692 ( 0.156 0.090 0.929) 0.947 16.802 ( -6.307 -3.641 5.375) 9.052 21.086 ( 2.811 1.623 1.642) 3.638 21.274 ( -2.640 -1.524 0.208) 3.055 21.747 ( 1.226 0.708 1.746) 2.248 21.820 ( 3.306 1.909 0.178) 3.822 21.922 ( -1.532 -0.885 -2.701) 3.229 21.995 ( -1.964 -1.134 0.217) 2.278 22.394 ( 4.030 2.327 2.111) 5.110 22.421 ( 3.141 1.813 2.407) 4.353 22.738 ( -2.974 -1.717 -1.728) 3.844 22.744 ( -2.895 -1.672 -1.947) 3.869 22.883 ( 2.970 1.715 2.711) 4.371 23.069 ( -0.728 -0.420 0.003) 0.840 23.516 ( 1.611 0.930 -2.529) 3.139 23.551 ( 2.008 1.159 -0.527) 2.378 23.603 ( -2.215 -1.279 1.752) 3.100 23.638 ( -0.531 -0.307 0.081) 0.619 23.992 ( 1.100 0.635 0.785) 1.493 24.101 ( -1.384 -0.799 -1.153) 1.971 48.396 ( 13.907 8.029 3.601) 16.457 48.748 ( 13.483 7.784 6.293) 16.792 49.042 ( -3.931 -2.270 13.793) 14.521 49.119 ( -7.926 -4.576 0.399) 9.161 50.275 ( 20.368 11.760 21.581) 31.920 51.384 ( 2.210 1.276 -1.565) 2.994 57.265 ( -4.870 -2.812 -5.182) 7.648 57.379 ( -5.576 -3.219 -7.784) 10.102 57.728 ( 1.916 1.106 -0.387) 2.245 57.791 ( -0.103 -0.060 -1.000) 1.007 58.047 ( 3.151 1.819 -0.782) 3.722 58.137 ( -1.047 -0.605 1.487) 1.916 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 13.811 7.974 4.352) 16.530 2.040 ( 2.343 1.353 17.897) 18.100 2.432 ( 11.567 6.678 -2.807) 13.648 2.794 ( -17.244 -9.956 -13.200) 23.890 3.070 ( 5.373 3.102 10.733) 12.397 3.337 ( -8.574 -4.950 -9.646) 13.823 4.730 ( 0.657 0.379 7.026) 7.067 4.797 ( -0.081 -0.047 -3.143) 3.145 5.103 ( 4.850 2.800 12.976) 14.133 5.362 ( -6.598 -3.809 -14.182) 16.099 5.704 ( 4.994 2.883 1.630) 5.992 5.792 ( -3.624 -2.092 0.993) 4.300 6.117 ( 7.527 4.345 1.717) 8.859 6.298 ( -7.418 -4.283 -4.590) 9.718 7.123 ( 5.024 2.901 5.746) 8.165 7.191 ( 1.547 0.893 0.103) 1.790 8.166 ( 3.435 1.983 -3.389) 5.217 8.305 ( -11.439 -6.604 -3.955) 13.788 9.797 ( 22.727 13.121 17.758) 31.687 10.265 ( 14.111 8.147 10.047) 19.142 10.431 ( -20.815 -12.017 -12.476) 27.079 10.741 ( -15.411 -8.897 -14.919) 23.221 12.075 ( -0.296 -0.171 1.869) 1.900 12.098 ( -0.149 -0.086 -2.510) 2.515 12.423 ( 8.914 5.146 -1.889) 10.464 12.502 ( 1.972 1.138 3.305) 4.013 12.653 ( -8.686 -5.015 1.172) 10.098 12.690 ( -3.733 -2.155 -5.475) 6.968 13.973 ( -3.515 -2.029 10.194) 10.972 14.017 ( 5.285 3.051 -11.926) 13.396 14.666 ( -0.328 -0.189 4.218) 4.235 14.707 ( 1.433 0.828 -5.842) 6.071 14.809 ( -2.028 -1.171 7.517) 7.873 14.847 ( 1.764 1.018 -5.332) 5.708 16.713 ( 1.407 0.812 0.299) 1.652 16.750 ( -3.420 -1.975 1.490) 4.221 21.155 ( 3.102 1.791 1.075) 3.740 21.220 ( -3.057 -1.765 -0.388) 3.551 21.794 ( 1.358 0.784 2.269) 2.759 21.843 ( -0.620 -0.358 -2.451) 2.553 21.905 ( 2.165 1.250 0.238) 2.511 21.955 ( -2.473 -1.428 -0.208) 2.863 22.484 ( 3.023 1.745 1.439) 3.775 22.495 ( 1.794 1.036 1.672) 2.662 22.670 ( -2.235 -1.290 -1.035) 2.780 22.672 ( -2.098 -1.212 -1.736) 2.981 22.967 ( 2.832 1.635 2.527) 4.132 23.035 ( -2.011 -1.161 -1.487) 2.758 23.529 ( 2.079 1.201 -1.267) 2.715 23.556 ( -1.226 -0.708 -0.104) 1.420 23.601 ( 0.386 0.223 1.260) 1.336 23.624 ( -0.919 -0.530 -0.264) 1.093 24.025 ( 1.406 0.812 0.883) 1.848 24.062 ( -1.482 -0.856 -1.067) 2.017 48.686 ( 13.511 7.800 2.668) 15.827 48.928 ( -8.369 -4.832 -1.357) 9.759 48.999 ( 6.315 3.646 -0.332) 7.299 49.079 ( -5.554 -3.206 7.589) 9.935 50.870 ( 17.789 10.270 18.869) 27.892 51.276 ( -8.119 -4.688 -9.805) 13.566 57.167 ( -1.441 -0.832 -0.575) 1.761 57.214 ( -3.484 -2.011 -5.175) 6.554 57.758 ( 1.316 0.760 0.154) 1.527 57.778 ( -0.380 -0.219 -0.741) 0.861 58.095 ( 3.096 1.787 -1.182) 3.765 58.127 ( -2.105 -1.216 1.678) 2.954 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 14.655 17.655) 22.945 0.805 ( -0.000 18.409 21.587) 28.370 1.191 ( -0.000 22.578 35.640) 42.190 3.512 ( -0.000 -8.618 -6.904) 11.042 3.651 ( 0.000 -1.137 -1.816) 2.142 3.818 ( 0.000 -2.647 -14.795) 15.030 4.488 ( -0.000 -10.032 10.470) 14.501 4.632 ( -0.000 1.058 13.558) 13.600 4.786 ( -0.000 3.950 6.580) 7.675 5.527 ( 0.000 8.623 4.986) 9.961 5.545 ( 0.000 13.769 -7.828) 15.838 6.009 ( -0.000 -12.293 -3.682) 12.832 6.136 ( 0.000 -2.190 -2.806) 3.559 6.621 ( -0.000 -0.779 6.107) 6.157 6.736 ( 0.000 4.191 -3.639) 5.550 6.888 ( 0.000 10.802 4.650) 11.761 8.296 ( 0.000 1.349 -1.357) 1.913 8.372 ( -0.000 2.066 4.610) 5.052 9.171 ( -0.000 -5.931 -3.597) 6.937 9.328 ( -0.000 1.929 2.873) 3.460 11.665 ( 0.000 -8.348 -12.325) 14.886 11.687 ( 0.000 -7.243 -11.201) 13.339 12.042 ( 0.000 0.309 -0.884) 0.937 12.124 ( -0.000 -5.091 -0.547) 5.120 12.246 ( 0.000 0.535 -0.488) 0.724 12.254 ( 0.000 5.140 1.891) 5.477 13.017 ( 0.000 0.411 -0.614) 0.739 13.187 ( 0.000 6.655 -18.368) 19.536 13.665 ( 0.000 16.464 -7.995) 18.302 13.897 ( -0.000 -1.045 6.444) 6.528 14.592 ( 0.000 -0.201 -0.823) 0.847 14.638 ( 0.000 3.048 0.505) 3.090 14.841 ( -0.000 -1.412 0.544) 1.513 14.853 ( -0.000 -0.129 1.004) 1.013 16.690 ( -0.000 -0.484 0.658) 0.817 17.126 ( -0.000 -21.053 8.617) 22.748 20.991 ( -0.000 0.857 2.326) 2.479 21.339 ( -0.000 -1.044 0.891) 1.372 21.690 ( -0.000 0.348 0.748) 0.825 21.716 ( 0.000 2.872 0.838) 2.991 21.990 ( -0.000 -2.531 -1.814) 3.114 22.068 ( 0.000 2.473 -1.529) 2.908 22.248 ( -0.000 0.709 1.975) 2.099 22.283 ( 0.000 2.621 2.545) 3.653 22.768 ( -0.000 1.342 2.245) 2.616 22.839 ( -0.000 -1.648 -1.588) 2.288 22.845 ( 0.000 -1.049 -1.273) 1.649 23.063 ( -0.000 0.353 1.371) 1.416 23.460 ( 0.000 0.048 -1.512) 1.513 23.519 ( 0.000 4.513 -2.349) 5.088 23.636 ( -0.000 -1.215 0.833) 1.473 23.652 ( -0.000 0.248 1.052) 1.081 23.967 ( -0.000 -0.867 0.769) 1.159 24.152 ( 0.000 -0.620 -1.106) 1.268 48.036 ( -0.000 7.996 11.054) 13.643 48.066 ( -0.000 6.487 13.962) 15.395 49.233 ( -0.000 -11.993 25.898) 28.540 49.336 ( -0.000 3.988 5.728) 6.980 49.532 ( -0.000 3.764 13.867) 14.369 50.988 ( 0.000 14.019 -4.053) 14.593 57.444 ( 0.000 -1.956 -6.255) 6.553 57.515 ( 0.000 0.333 -2.527) 2.549 57.763 ( 0.000 -2.475 -4.431) 5.075 57.818 ( 0.000 1.061 -1.833) 2.118 57.971 ( 0.000 -0.145 -2.048) 2.053 58.147 ( 0.000 -0.447 -1.932) 1.983 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 16.410 10.986 14.650) 24.589 1.238 ( 8.630 17.438 18.619) 26.930 1.783 ( 5.362 20.355 30.556) 37.105 3.308 ( -6.688 -9.651 -6.187) 13.273 3.539 ( -6.513 -3.211 -15.716) 17.312 3.643 ( 0.397 -2.505 -6.167) 6.668 4.541 ( 2.550 -13.334 12.980) 18.783 4.793 ( -1.189 0.212 11.849) 11.911 4.908 ( 0.097 5.706 10.215) 11.701 5.527 ( -3.034 10.894 -2.699) 11.626 5.706 ( 4.282 6.034 4.518) 8.669 5.846 ( -3.032 -8.961 -6.333) 11.384 6.061 ( -3.927 -1.134 -3.053) 5.101 6.616 ( -6.174 0.108 0.166) 6.177 6.788 ( 5.138 3.301 2.978) 6.794 7.027 ( -1.723 11.540 6.729) 13.469 8.265 ( -1.983 0.502 -3.768) 4.287 8.602 ( 18.586 5.077 6.269) 20.261 8.989 ( -10.239 -6.857 -5.209) 13.379 9.477 ( 11.485 2.679 5.938) 13.204 11.365 ( -7.381 -11.791 -17.425) 22.297 11.432 ( -4.893 -10.485 -15.077) 19.005 12.038 ( 1.053 -1.026 -0.773) 1.661 12.099 ( 3.052 -1.990 -2.539) 4.441 12.220 ( -1.663 2.458 -2.240) 3.718 12.341 ( 0.823 7.049 2.834) 7.642 12.948 ( -5.450 1.119 -4.084) 6.902 13.060 ( -0.844 -4.794 -7.992) 9.358 13.752 ( 8.911 9.672 -9.390) 16.159 13.966 ( -0.785 -2.003 8.969) 9.223 14.585 ( 1.686 0.447 -2.485) 3.036 14.663 ( 0.798 4.671 -3.021) 5.620 14.838 ( -0.685 -2.636 3.053) 4.091 14.873 ( -1.244 -0.308 4.319) 4.505 16.690 ( -0.003 -0.652 0.322) 0.727 16.998 ( -6.019 -11.131 2.411) 12.881 21.034 ( 0.916 1.245 2.597) 3.022 21.331 ( -1.224 -1.533 0.926) 2.169 21.712 ( 1.089 0.297 1.174) 1.629 21.762 ( 0.852 3.875 1.360) 4.194 21.948 ( -0.395 -2.501 -1.951) 3.197 22.058 ( -1.873 1.789 -0.624) 2.664 22.297 ( 2.287 1.236 2.463) 3.581 22.347 ( 1.898 2.474 2.601) 4.060 22.793 ( -0.780 -2.354 -1.589) 2.946 22.795 ( -0.567 -1.757 -1.460) 2.354 22.834 ( 0.245 2.098 2.098) 2.977 23.081 ( -0.191 0.223 1.388) 1.419 23.454 ( 1.879 -0.231 -2.307) 2.984 23.530 ( 0.009 3.938 -1.584) 4.244 23.634 ( -0.224 -1.813 1.094) 2.129 23.662 ( -0.787 0.240 1.345) 1.577 23.972 ( 0.345 0.011 0.613) 0.704 24.129 ( -0.537 -0.740 -1.420) 1.689 48.214 ( -0.838 9.661 13.429) 16.564 48.406 ( 10.902 8.087 15.081) 20.290 49.318 ( -12.561 -0.067 18.015) 21.962 49.428 ( -12.523 5.712 14.107) 19.709 49.809 ( 11.367 7.192 19.678) 23.836 51.168 ( 11.826 6.332 0.684) 13.432 57.343 ( -0.797 -2.819 -8.026) 8.544 57.480 ( -0.036 -0.635 -6.127) 6.160 57.667 ( -0.216 -3.658 -4.863) 6.089 57.803 ( -0.077 1.219 -2.351) 2.650 57.963 ( 2.215 0.412 -2.116) 3.091 58.133 ( 0.635 0.463 -1.137) 1.382 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 16.946 7.713 11.511) 21.890 1.723 ( 14.473 16.902 15.643) 27.201 2.269 ( 0.851 14.469 19.739) 24.489 3.092 ( -5.228 -8.271 -2.098) 10.007 3.173 ( -9.045 -4.429 -21.908) 24.112 3.546 ( -5.676 -3.408 -2.549) 7.094 4.626 ( 5.525 -13.939 10.432) 18.266 4.835 ( -4.165 -4.516 7.533) 9.720 5.106 ( -0.798 8.950 13.417) 16.148 5.539 ( -2.151 5.269 -5.962) 8.242 5.662 ( -5.322 -0.150 -2.045) 5.703 5.880 ( 2.040 5.154 8.304) 9.984 5.958 ( -1.771 -1.293 -4.681) 5.169 6.498 ( -7.550 -0.709 -3.408) 8.313 6.957 ( 7.258 3.277 6.058) 10.006 7.170 ( -1.768 9.761 7.471) 12.418 8.173 ( -2.603 -0.316 -5.886) 6.443 8.670 ( -13.754 -7.903 -4.933) 16.612 9.093 ( 26.670 9.123 9.194) 29.649 9.793 ( 18.048 4.455 8.006) 20.240 10.910 ( -12.601 -14.389 -20.093) 27.741 11.068 ( -8.044 -12.353 -17.744) 23.069 12.037 ( 2.279 -2.539 -0.906) 3.530 12.103 ( 1.738 0.249 -2.766) 3.277 12.216 ( 3.474 2.718 -2.900) 5.278 12.450 ( 0.642 8.376 3.854) 9.243 12.818 ( -5.022 -1.904 -5.384) 7.605 12.909 ( -7.181 -4.094 -2.275) 8.574 13.821 ( 8.293 4.612 -9.813) 13.651 14.040 ( -1.535 -2.862 10.527) 11.016 14.590 ( 3.604 0.670 -4.197) 5.572 14.665 ( 1.087 4.823 -5.188) 7.167 14.843 ( -0.869 -2.776 3.289) 4.391 14.911 ( -3.283 -0.273 8.323) 8.951 16.687 ( 0.497 -0.558 -0.532) 0.917 16.865 ( -4.467 -6.038 -0.775) 7.551 21.090 ( 1.611 1.391 2.243) 3.092 21.301 ( -2.451 -1.871 0.586) 3.138 21.748 ( 1.744 0.040 1.550) 2.334 21.823 ( 0.814 4.027 1.209) 4.282 21.902 ( -0.784 -1.580 -1.395) 2.249 22.033 ( -2.808 1.157 -0.176) 3.043 22.379 ( 3.732 1.516 2.572) 4.780 22.425 ( 2.628 2.188 2.382) 4.168 22.726 ( -1.699 -2.988 -2.486) 4.242 22.740 ( -1.893 -2.110 -2.264) 3.627 22.904 ( 1.592 2.495 3.408) 4.514 23.083 ( -1.304 -0.270 0.427) 1.399 23.456 ( 2.662 -0.044 -2.383) 3.573 23.547 ( 0.403 3.083 -1.086) 3.293 23.625 ( -0.655 -2.153 1.247) 2.573 23.663 ( -1.515 0.295 1.293) 2.014 23.991 ( 0.961 0.580 0.678) 1.311 24.096 ( -0.918 -0.744 -1.433) 1.857 48.457 ( 2.718 10.790 12.649) 16.846 48.751 ( 8.793 6.545 10.381) 15.097 49.300 ( -14.345 0.633 10.562) 17.825 49.419 ( -19.357 5.381 17.427) 26.596 50.355 ( 18.617 11.461 24.145) 32.572 51.330 ( 4.839 1.364 -0.732) 5.080 57.212 ( -1.506 -3.044 -6.890) 7.682 57.334 ( -4.595 -2.684 -9.431) 10.829 57.646 ( 5.856 -2.669 -2.731) 6.991 57.789 ( -0.197 1.755 -1.921) 2.609 57.987 ( 4.021 0.929 -2.496) 4.823 58.141 ( 0.620 0.591 -0.165) 0.872 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 11.577 6.298 4.714) 13.997 2.234 ( 14.376 14.015 15.492) 25.359 2.359 ( -9.064 1.093 -1.277) 9.219 2.739 ( -9.922 -4.861 -19.754) 22.634 3.134 ( 5.423 1.420 9.638) 11.150 3.363 ( -12.081 -3.834 -2.954) 13.014 4.640 ( 6.032 -15.069 -3.922) 16.699 4.846 ( -3.882 -7.124 15.128) 17.166 5.295 ( -1.337 8.064 8.135) 11.532 5.370 ( -12.508 8.372 -6.033) 16.215 5.699 ( 2.839 2.047 2.810) 4.489 5.845 ( -5.063 -2.222 0.048) 5.529 6.092 ( 7.002 5.974 6.051) 11.015 6.333 ( -8.366 -2.248 -3.869) 9.487 7.120 ( 5.807 1.204 -0.061) 5.931 7.283 ( -5.368 7.881 8.804) 12.979 8.106 ( 2.532 1.020 -3.699) 4.597 8.390 ( -12.447 -4.898 -0.648) 13.392 9.687 ( 30.244 10.376 11.553) 33.998 10.139 ( 12.355 0.567 -4.738) 13.245 10.419 ( -7.076 -11.058 -7.944) 15.344 10.634 ( -9.958 -13.136 -19.392) 25.451 12.038 ( 2.789 -1.641 -2.569) 4.131 12.091 ( -0.022 -0.633 0.151) 0.651 12.306 ( 9.655 3.424 -1.995) 10.436 12.558 ( -0.811 5.419 3.259) 6.375 12.681 ( -4.563 -1.004 -3.582) 5.887 12.761 ( -8.555 -1.172 0.415) 8.645 13.840 ( 6.171 1.999 -9.004) 11.098 14.113 ( -2.032 -3.338 11.377) 12.030 14.592 ( 4.035 0.824 -6.130) 7.385 14.667 ( 1.935 3.895 -4.222) 6.061 14.838 ( -1.955 -2.776 3.103) 4.600 14.954 ( -4.677 -0.191 9.186) 10.309 16.684 ( 1.511 -0.175 -2.030) 2.537 16.765 ( -2.326 -3.258 -2.199) 4.567 21.148 ( 2.091 1.414 1.551) 2.962 21.249 ( -3.376 -1.966 0.056) 3.907 21.791 ( 2.152 -0.547 0.953) 2.417 21.834 ( -1.376 -0.407 -0.191) 1.448 21.911 ( 0.820 3.620 1.143) 3.884 21.995 ( -3.606 0.673 -0.126) 3.671 22.468 ( 3.417 1.254 1.723) 4.027 22.497 ( 1.911 1.101 1.549) 2.695 22.655 ( -1.005 -2.463 -1.997) 3.326 22.671 ( -1.861 -1.826 -1.906) 3.230 22.982 ( 1.718 2.080 2.967) 4.010 23.047 ( -2.779 -0.804 -0.988) 3.057 23.477 ( 3.433 0.286 -1.703) 3.842 23.558 ( -0.157 1.051 -0.516) 1.181 23.615 ( -0.359 -1.181 0.828) 1.487 23.655 ( -2.135 0.447 1.219) 2.498 24.021 ( 1.390 0.850 0.804) 1.817 24.061 ( -1.161 -0.722 -1.213) 1.828 48.718 ( 4.227 9.834 9.721) 14.459 48.960 ( 3.159 4.937 3.403) 6.778 49.177 ( -19.227 0.437 9.692) 21.536 49.361 ( -19.050 2.244 12.972) 23.156 50.942 ( 15.280 10.259 20.106) 27.258 51.252 ( -8.401 -4.218 -8.200) 12.475 57.139 ( 1.630 -1.369 -2.837) 3.547 57.171 ( -1.650 -1.735 -5.927) 6.393 57.691 ( 6.371 -1.697 -2.014) 6.894 57.779 ( -0.500 0.924 -1.159) 1.564 58.025 ( 4.810 0.913 -3.223) 5.862 58.144 ( -0.624 -0.056 -0.060) 0.629 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -6.551 0.744 -19.369) 20.461 2.058 ( -17.640 -8.420 -5.059) 20.190 2.541 ( -1.251 -0.124 4.233) 4.416 2.744 ( 19.280 13.187 8.436) 24.835 3.070 ( -13.459 -2.809 -5.750) 14.903 3.387 ( 5.466 4.374 10.520) 12.636 4.507 ( 6.269 -17.800 -9.284) 21.032 4.910 ( -6.116 -2.360 12.269) 13.910 5.149 ( -11.989 7.517 -7.103) 15.834 5.484 ( 2.224 6.022 8.391) 10.565 5.746 ( -1.407 -0.431 0.327) 1.508 5.791 ( -3.517 1.901 2.163) 4.545 6.174 ( -6.815 -3.178 -0.306) 7.526 6.299 ( 6.244 5.423 5.785) 10.093 7.089 ( -1.480 -3.701 -6.774) 7.859 7.307 ( -11.028 5.600 4.500) 13.162 8.207 ( 7.299 0.907 2.051) 7.635 8.304 ( -1.009 4.252 8.142) 9.241 9.714 ( -14.969 -15.082 -22.447) 30.909 10.160 ( -7.402 -10.957 -20.867) 24.703 10.327 ( 26.557 8.111 13.007) 30.663 10.682 ( 20.073 3.982 9.391) 22.516 12.030 ( 2.088 -1.077 -2.517) 3.443 12.109 ( 1.348 -0.502 1.805) 2.308 12.465 ( 7.782 2.335 -0.728) 8.157 12.514 ( -5.424 -4.585 2.715) 7.604 12.591 ( -2.761 3.450 -4.487) 6.298 12.765 ( -0.396 6.435 5.278) 8.332 13.831 ( 4.445 0.865 -7.405) 8.680 14.184 ( -2.617 -3.503 12.117) 12.882 14.582 ( 3.197 1.102 -5.594) 6.536 14.678 ( 2.892 2.529 -4.931) 6.251 14.819 ( -2.955 -2.923 3.968) 5.746 14.976 ( -5.696 -0.136 7.726) 9.600 16.679 ( 2.844 0.351 -4.457) 5.299 16.701 ( -0.571 -1.556 -2.330) 2.860 21.181 ( -3.875 -1.805 -0.488) 4.303 21.202 ( 2.351 1.315 0.803) 2.811 21.779 ( -0.861 -1.260 -1.568) 2.188 21.854 ( 1.597 -0.454 2.675) 3.148 21.941 ( -3.676 0.343 -0.391) 3.713 21.967 ( -0.012 4.021 1.195) 4.195 22.479 ( -1.740 -2.436 -2.009) 3.605 22.504 ( -1.927 -0.496 -0.716) 2.114 22.649 ( 2.533 0.168 0.511) 2.589 22.660 ( 2.835 0.417 0.905) 3.005 22.978 ( -3.712 -0.991 -1.776) 4.233 23.042 ( 1.110 1.326 1.755) 2.464 23.511 ( 3.431 0.001 -1.217) 3.641 23.552 ( -0.788 -0.595 0.927) 1.354 23.609 ( -0.562 0.077 -0.544) 0.786 23.645 ( -1.753 0.810 1.400) 2.385 24.027 ( -1.278 -0.724 -0.960) 1.755 24.058 ( 1.611 0.867 0.875) 2.028 48.852 ( -9.519 -2.109 2.109) 9.975 48.978 ( -2.991 6.272 3.308) 7.696 49.102 ( -9.414 7.820 7.895) 14.564 49.204 ( -20.279 -0.988 6.402) 21.288 50.852 ( -19.920 -9.445 -16.592) 27.592 51.324 ( 5.896 4.595 9.992) 12.479 57.120 ( 4.745 -0.373 -2.098) 5.202 57.222 ( 5.596 2.560 4.501) 7.624 57.738 ( 4.242 -0.583 -1.675) 4.597 57.762 ( -0.260 -1.323 -0.535) 1.451 58.056 ( 4.386 0.338 -3.548) 5.652 58.120 ( -1.939 -0.627 -0.446) 2.086 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -14.256 -2.423 -25.312) 29.151 1.661 ( -20.030 -9.917 -6.720) 23.339 2.409 ( -27.005 -5.913 0.573) 27.650 2.983 ( 9.439 4.681 3.952) 11.253 3.190 ( 16.503 11.034 3.742) 20.201 3.593 ( 5.409 3.679 7.817) 10.193 4.358 ( 7.980 -17.055 -9.246) 20.978 4.841 ( -12.273 5.918 -3.833) 14.154 5.035 ( -8.594 0.194 5.042) 9.966 5.609 ( 3.912 -0.983 -1.523) 4.312 5.736 ( -5.001 2.563 6.709) 8.751 5.785 ( -1.054 5.106 0.915) 5.294 6.110 ( -3.574 -2.785 4.862) 6.646 6.458 ( 4.301 3.613 2.599) 6.189 6.941 ( -3.590 -5.311 -4.804) 8.011 7.199 ( -13.792 5.141 1.397) 14.785 8.283 ( 0.041 1.686 5.201) 5.468 8.584 ( 12.538 6.520 9.312) 16.924 9.163 ( -14.623 -13.518 -17.170) 26.294 9.725 ( -7.877 -10.576 -19.035) 23.156 10.904 ( 26.152 7.497 10.675) 29.225 11.080 ( 19.991 3.628 6.542) 21.345 12.028 ( 1.967 -1.202 -1.145) 2.574 12.147 ( 1.160 0.326 1.543) 1.958 12.399 ( -6.707 -4.887 2.983) 8.818 12.428 ( -6.770 2.458 -3.610) 8.056 12.757 ( 15.506 3.812 2.540) 16.169 12.876 ( 1.053 5.898 4.018) 7.214 13.816 ( 3.141 0.414 -5.318) 6.190 14.254 ( -3.870 -3.424 13.347) 14.312 14.578 ( 2.319 0.937 -3.242) 4.095 14.667 ( 1.989 1.195 -5.613) 6.074 14.807 ( -2.059 -2.400 4.086) 5.167 14.967 ( -6.070 0.018 5.352) 8.093 16.663 ( 3.989 0.708 -8.134) 9.087 16.671 ( 0.530 -0.543 -1.729) 1.888 21.106 ( -3.936 -1.410 -0.844) 4.265 21.250 ( 2.351 1.041 0.197) 2.579 21.741 ( -1.186 -0.928 -1.066) 1.845 21.867 ( -4.152 -0.340 0.261) 4.174 21.917 ( 2.111 -0.852 1.656) 2.815 22.011 ( -0.144 3.980 0.895) 4.082 22.394 ( -2.886 -3.263 -2.149) 4.857 22.438 ( -3.965 -0.796 -1.712) 4.391 22.714 ( 3.991 0.618 1.218) 4.218 22.728 ( 3.643 1.005 1.115) 3.940 22.897 ( -3.964 -0.797 -1.674) 4.376 23.069 ( 0.083 0.487 0.365) 0.614 23.530 ( 0.589 -1.690 0.612) 1.892 23.563 ( 1.600 0.100 0.209) 1.616 23.589 ( -1.552 1.146 -0.592) 2.018 23.649 ( -0.835 0.693 1.030) 1.496 23.994 ( -1.254 -0.685 -0.831) 1.653 24.097 ( 1.672 0.686 0.784) 1.970 48.606 ( -20.899 -4.487 2.933) 21.576 48.909 ( -23.490 -4.464 0.154) 23.911 48.973 ( -3.898 3.502 -5.454) 7.563 49.201 ( -4.448 11.678 8.439) 15.079 50.258 ( -23.254 -10.982 -18.497) 31.678 51.410 ( -2.152 -1.425 0.657) 2.663 57.223 ( 8.992 0.947 1.525) 9.169 57.411 ( 6.720 4.512 7.223) 10.848 57.722 ( -0.928 -2.407 -0.697) 2.673 57.775 ( 3.223 -0.751 -1.505) 3.635 58.061 ( -0.349 -1.333 -1.186) 1.818 58.089 ( 1.469 0.321 -2.191) 2.657 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -16.985 -2.578 -19.618) 26.077 1.214 ( -23.829 -8.110 -6.095) 25.898 1.874 ( -38.460 -5.535 -3.339) 39.000 3.267 ( 12.547 5.375 8.301) 15.976 3.449 ( 12.421 2.997 -3.226) 13.178 3.791 ( 6.323 4.882 6.729) 10.445 4.269 ( 9.367 -11.959 -6.493) 16.520 4.665 ( -10.296 4.373 -5.361) 12.404 4.949 ( -10.713 -0.934 3.185) 11.216 5.575 ( -2.590 0.021 -2.039) 3.297 5.765 ( -3.025 6.971 4.355) 8.758 5.893 ( 5.107 -2.844 5.003) 7.694 6.108 ( -1.555 0.002 2.598) 3.028 6.527 ( 1.971 1.248 -0.783) 2.461 6.824 ( -2.543 -4.155 -1.952) 5.248 7.076 ( -14.079 5.783 3.376) 15.590 8.341 ( -1.397 1.254 3.414) 3.896 8.631 ( -7.203 -9.474 -12.571) 17.311 8.990 ( 6.259 4.678 9.684) 12.443 9.390 ( -2.937 -6.860 -14.032) 15.893 11.374 ( 21.005 4.258 6.476) 22.389 11.420 ( 17.957 2.411 3.189) 18.397 12.037 ( 1.601 -0.950 -0.294) 1.885 12.164 ( -1.097 0.185 0.358) 1.169 12.312 ( -5.792 -3.470 3.117) 7.436 12.330 ( -4.885 2.519 -2.938) 6.232 12.961 ( 1.251 3.246 2.393) 4.222 13.049 ( 16.791 2.831 3.401) 17.364 13.808 ( 2.065 0.195 -2.877) 3.547 14.324 ( -5.057 -2.519 14.663) 15.714 14.588 ( 1.284 0.352 -0.409) 1.393 14.634 ( 0.450 0.332 -3.962) 4.002 14.814 ( 0.042 -1.296 2.054) 2.429 14.934 ( -5.390 0.284 2.819) 6.090 16.609 ( 3.668 0.480 -12.058) 12.613 16.665 ( 0.916 -0.069 -0.826) 1.235 21.036 ( -3.518 -0.796 -0.764) 3.687 21.287 ( 2.061 0.572 -0.111) 2.141 21.710 ( -1.109 -0.510 -0.555) 1.341 21.801 ( -4.516 -0.323 -0.093) 4.528 21.963 ( 2.911 -1.148 0.996) 3.284 22.048 ( 0.061 3.139 1.047) 3.309 22.314 ( -2.738 -2.390 -1.128) 3.805 22.358 ( -4.274 -0.452 -1.301) 4.490 22.779 ( 2.975 0.106 0.334) 2.995 22.792 ( 3.157 0.523 0.757) 3.288 22.828 ( -3.008 -0.077 -0.744) 3.100 23.066 ( -0.647 0.011 -0.284) 0.706 23.519 ( -1.033 -1.543 0.418) 1.904 23.580 ( -0.692 0.982 0.875) 1.486 23.591 ( 1.789 0.433 -0.518) 1.912 23.653 ( -0.659 0.351 0.798) 1.093 23.964 ( -1.092 -0.494 -0.820) 1.452 24.131 ( 1.535 0.374 0.487) 1.653 48.318 ( -20.403 -3.179 2.744) 20.831 48.503 ( -25.315 -5.009 -3.865) 26.093 48.849 ( -7.092 3.232 -7.045) 10.506 49.311 ( -4.589 9.785 6.673) 12.702 49.711 ( -17.244 -9.098 -13.116) 23.498 51.318 ( -4.835 -3.633 -1.886) 6.335 57.372 ( 8.532 0.207 1.143) 8.611 57.575 ( 0.675 2.966 3.401) 4.563 57.708 ( 3.064 -1.777 1.984) 4.059 57.790 ( 2.450 -0.026 -1.976) 3.148 58.022 ( -1.832 -1.051 -0.281) 2.131 58.109 ( 3.111 0.240 -1.067) 3.298 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -20.289 -0.000 0.000) 20.289 0.780 ( -27.441 -0.000 0.000) 27.441 1.253 ( -43.953 -0.000 0.000) 43.953 3.531 ( 10.126 0.000 -0.000) 10.126 3.554 ( 9.796 0.000 -0.000) 9.796 3.935 ( 4.898 0.000 -0.000) 4.898 4.307 ( 8.637 0.000 -0.000) 8.637 4.531 ( -6.988 -0.000 0.000) 6.988 4.818 ( -9.213 -0.000 0.000) 9.213 5.507 ( -6.086 -0.000 0.000) 6.086 5.855 ( -0.380 -0.000 0.000) 0.380 5.926 ( 4.841 0.000 -0.000) 4.841 6.131 ( 1.901 0.000 -0.000) 1.901 6.541 ( 0.875 0.000 -0.000) 0.875 6.765 ( -1.794 -0.000 0.000) 1.794 6.949 ( -12.443 -0.000 0.000) 12.443 8.330 ( -2.656 -0.000 0.000) 2.656 8.393 ( -7.643 -0.000 0.000) 7.643 9.194 ( 6.153 0.000 -0.000) 6.153 9.251 ( 1.052 0.000 -0.000) 1.052 11.665 ( 13.934 0.000 -0.000) 13.934 11.679 ( 14.349 0.000 -0.000) 14.349 12.049 ( 0.825 0.000 -0.000) 0.825 12.134 ( -2.553 -0.000 0.000) 2.553 12.252 ( -4.035 -0.000 0.000) 4.035 12.268 ( -3.248 -0.000 0.000) 3.248 13.003 ( 1.096 0.000 -0.000) 1.096 13.311 ( 15.083 0.000 -0.000) 15.083 13.815 ( 1.227 0.000 -0.000) 1.227 14.377 ( -2.945 -0.000 0.000) 2.945 14.603 ( 0.023 0.000 -0.000) 0.023 14.609 ( -0.169 -0.000 0.000) 0.169 14.829 ( 1.192 0.000 -0.000) 1.192 14.891 ( -3.399 -0.000 0.000) 3.399 16.533 ( 0.096 0.000 -0.000) 0.096 16.673 ( 0.760 0.000 -0.000) 0.760 20.985 ( -2.609 -0.000 0.000) 2.609 21.313 ( 1.563 0.000 -0.000) 1.563 21.691 ( -0.842 -0.000 0.000) 0.842 21.743 ( -3.471 -0.000 0.000) 3.471 22.000 ( 2.595 0.000 -0.000) 2.595 22.080 ( 1.095 0.000 -0.000) 1.095 22.261 ( -2.433 -0.000 0.000) 2.433 22.290 ( -4.062 -0.000 0.000) 4.062 22.766 ( -2.377 -0.000 0.000) 2.377 22.836 ( 2.230 0.000 -0.000) 2.230 22.837 ( 2.347 0.000 -0.000) 2.347 23.053 ( -0.715 -0.000 0.000) 0.715 23.496 ( -1.268 -0.000 0.000) 1.268 23.586 ( -0.444 -0.000 0.000) 0.444 23.613 ( 1.604 0.000 -0.000) 1.604 23.653 ( -0.380 -0.000 0.000) 0.380 23.941 ( -0.938 -0.000 0.000) 0.938 24.154 ( 1.171 0.000 -0.000) 1.171 48.072 ( -15.698 -0.000 0.000) 15.698 48.128 ( -20.274 -0.000 0.000) 20.274 48.701 ( -8.352 -0.000 0.000) 8.352 49.365 ( -10.348 -0.000 0.000) 10.348 49.381 ( -3.100 -0.000 0.000) 3.100 51.234 ( -3.133 -0.000 0.000) 3.133 57.470 ( 5.159 0.000 -0.000) 5.159 57.569 ( -2.330 -0.000 0.000) 2.330 57.784 ( 3.368 0.000 -0.000) 3.368 57.807 ( 2.006 0.000 -0.000) 2.006 57.999 ( -0.548 -0.000 0.000) 0.548 58.146 ( 2.551 0.000 -0.000) 2.551 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.000 10.854 12.942) 16.891 1.520 ( 0.000 18.465 16.378) 24.682 2.268 ( -0.000 19.624 30.644) 36.389 3.187 ( -0.000 -12.266 -7.074) 14.160 3.296 ( 0.000 -4.687 -25.994) 26.413 3.626 ( -0.000 -0.055 0.771) 0.773 4.537 ( -0.000 -15.421 9.751) 18.245 5.001 ( -0.000 -2.891 8.676) 9.145 5.006 ( -0.000 2.500 17.357) 17.536 5.579 ( 0.000 6.397 -3.219) 7.161 5.768 ( -0.000 -4.121 -0.979) 4.236 5.786 ( 0.000 7.873 2.986) 8.420 6.085 ( 0.000 1.250 1.274) 1.785 6.705 ( 0.000 4.786 -5.479) 7.275 6.756 ( -0.000 -1.582 6.456) 6.647 7.257 ( 0.000 15.561 9.303) 18.130 8.230 ( 0.000 -0.292 -6.356) 6.362 8.560 ( -0.000 5.311 6.512) 8.403 8.993 ( -0.000 -6.056 -1.695) 6.288 9.432 ( -0.000 2.032 2.755) 3.423 11.094 ( 0.000 -14.766 -21.376) 25.981 11.174 ( 0.000 -13.440 -19.155) 23.399 12.018 ( 0.000 0.090 -1.429) 1.431 12.018 ( 0.000 -2.591 -3.525) 4.375 12.210 ( 0.000 1.151 -3.781) 3.952 12.446 ( 0.000 10.722 3.631) 11.320 12.906 ( 0.000 -4.665 -7.310) 8.672 13.008 ( 0.000 0.547 -0.726) 0.909 13.672 ( 0.000 5.943 -6.904) 9.110 14.061 ( -0.000 -3.454 10.694) 11.238 14.536 ( 0.000 1.414 -4.873) 5.074 14.648 ( 0.000 5.621 -5.935) 8.174 14.859 ( -0.000 -3.404 4.475) 5.622 14.959 ( -0.000 -0.325 8.906) 8.911 16.681 ( -0.000 -0.982 -0.746) 1.233 16.941 ( -0.000 -9.119 -3.156) 9.649 21.068 ( -0.000 1.100 2.751) 2.963 21.337 ( -0.000 -1.899 0.951) 2.124 21.721 ( -0.000 0.588 1.117) 1.262 21.813 ( 0.000 4.894 2.277) 5.398 21.916 ( -0.000 -2.018 -1.259) 2.379 22.079 ( 0.000 1.875 -0.550) 1.954 22.320 ( -0.000 1.249 2.842) 3.104 22.382 ( -0.000 2.193 2.634) 3.427 22.752 ( -0.000 -3.082 -2.750) 4.130 22.764 ( -0.000 -2.471 -2.005) 3.182 22.883 ( -0.000 2.779 3.430) 4.414 23.102 ( -0.000 0.162 1.486) 1.495 23.414 ( 0.000 0.060 -2.595) 2.596 23.544 ( 0.000 3.878 -1.559) 4.180 23.632 ( -0.000 -2.174 1.228) 2.496 23.686 ( -0.000 0.038 1.605) 1.605 23.977 ( -0.000 0.351 0.612) 0.706 24.109 ( 0.000 -0.676 -1.605) 1.742 48.503 ( -0.000 10.539 15.219) 18.512 48.544 ( -0.000 6.986 16.550) 17.964 49.616 ( -0.000 7.712 11.353) 13.725 49.842 ( -0.000 9.695 30.284) 31.798 49.977 ( -0.000 3.707 17.939) 18.318 51.155 ( 0.000 6.039 4.081) 7.289 57.239 ( 0.000 -1.873 -8.118) 8.332 57.389 ( 0.000 -1.960 -9.002) 9.213 57.563 ( 0.000 -5.625 -6.525) 8.615 57.773 ( 0.000 1.410 -4.079) 4.315 57.930 ( 0.000 0.623 -1.409) 1.541 58.126 ( 0.000 2.171 -0.734) 2.291 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 12.279 6.925 8.346) 16.383 1.879 ( 6.462 18.723 13.163) 23.782 2.677 ( -8.120 11.998 20.068) 24.751 2.930 ( -3.207 -4.329 -27.754) 28.272 3.027 ( 2.369 -8.399 -0.648) 8.751 3.609 ( -4.873 -0.228 1.516) 5.109 4.492 ( 3.429 -18.798 0.842) 19.126 5.001 ( -6.484 -6.684 12.890) 15.902 5.269 ( 3.974 4.347 13.789) 14.994 5.586 ( -0.873 4.684 -1.808) 5.096 5.760 ( -5.638 4.144 5.804) 9.091 5.873 ( 3.304 3.517 -1.164) 4.964 6.086 ( -6.971 3.550 6.151) 9.951 6.582 ( -9.560 1.634 -3.952) 10.473 6.895 ( 9.331 0.701 1.636) 9.500 7.447 ( -5.992 13.830 12.315) 19.464 8.121 ( -2.143 -1.149 -8.084) 8.441 8.767 ( -5.070 -2.187 2.016) 5.878 8.911 ( 13.408 5.386 4.606) 15.165 9.618 ( 17.867 2.337 2.020) 18.132 10.677 ( -5.983 -16.525 -22.253) 28.356 10.813 ( -3.062 -15.340 -21.125) 26.286 11.966 ( 1.523 -2.093 -3.611) 4.443 12.031 ( 3.680 0.183 -1.714) 4.064 12.173 ( 0.357 0.753 -3.619) 3.714 12.575 ( -0.525 11.397 3.791) 12.022 12.788 ( -2.337 -4.370 -4.050) 6.400 12.970 ( -5.163 0.273 -0.370) 5.183 13.668 ( 4.891 2.746 -6.920) 8.908 14.145 ( -0.516 -4.359 10.556) 11.432 14.504 ( 1.862 1.664 -5.558) 6.093 14.629 ( 0.766 5.069 -5.708) 7.673 14.879 ( -0.849 -3.610 4.946) 6.182 15.052 ( -2.006 0.334 9.901) 10.108 16.660 ( 0.383 -1.036 -2.089) 2.363 16.823 ( -1.396 -5.866 -4.617) 7.594 21.110 ( 0.686 0.960 2.331) 2.613 21.320 ( -1.502 -2.042 0.659) 2.619 21.743 ( 1.016 0.208 0.838) 1.334 21.873 ( -1.197 2.172 1.227) 2.767 21.897 ( 0.381 2.037 0.940) 2.275 22.076 ( -1.861 1.615 -0.122) 2.467 22.378 ( 2.235 1.302 2.628) 3.687 22.437 ( 1.628 1.695 2.234) 3.243 22.687 ( -0.819 -3.597 -2.942) 4.718 22.713 ( -0.799 -2.525 -2.391) 3.568 22.949 ( 0.582 2.670 3.590) 4.512 23.107 ( -1.364 -0.130 0.801) 1.587 23.398 ( 1.853 0.097 -2.577) 3.175 23.557 ( 0.053 3.198 -1.257) 3.437 23.626 ( -0.272 -2.298 1.188) 2.601 23.697 ( -0.841 0.021 1.473) 1.696 23.993 ( 0.572 0.751 0.754) 1.208 24.084 ( -0.440 -0.530 -1.486) 1.638 48.701 ( -2.632 9.116 14.089) 16.986 48.829 ( 5.477 5.990 11.804) 14.325 49.701 ( -15.699 7.839 14.856) 22.991 49.973 ( -21.449 5.894 18.664) 29.037 50.483 ( 17.108 11.854 27.261) 34.298 51.287 ( 4.079 2.365 2.979) 5.577 57.130 ( -1.072 -1.846 -6.839) 7.165 57.232 ( -1.332 -3.808 -12.562) 13.194 57.492 ( 5.576 -4.662 -4.369) 8.480 57.754 ( 2.118 1.505 -4.008) 4.777 57.931 ( 1.160 0.886 -1.266) 1.932 58.146 ( 0.197 2.633 -0.079) 2.641 ======================= Grid point 22 (16/85) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 13.833 2.577 -0.091) 14.071 2.266 ( 9.814 17.217 6.058) 20.723 2.492 ( -7.740 -6.769 -14.561) 17.825 2.638 ( -9.513 -2.229 -4.858) 10.912 3.227 ( 3.697 7.694 14.717) 17.014 3.509 ( -11.332 -0.695 1.262) 11.423 4.346 ( 4.887 -21.036 -7.735) 22.939 5.041 ( -4.440 -6.201 16.923) 18.562 5.437 ( -2.762 6.164 5.798) 8.902 5.579 ( -5.315 5.397 -1.349) 7.693 5.771 ( -7.814 3.394 5.671) 10.234 5.887 ( -1.118 2.183 2.542) 3.532 6.173 ( 1.196 5.351 9.206) 10.715 6.405 ( -9.905 -0.467 -3.809) 10.622 7.005 ( 7.084 -0.515 -4.599) 8.462 7.602 ( -8.452 11.118 14.754) 20.316 8.020 ( 1.635 -0.108 -5.899) 6.122 8.568 ( -14.485 -1.102 3.137) 14.862 9.418 ( 32.120 7.949 5.887) 33.608 9.869 ( 12.858 -1.543 -10.407) 16.613 10.275 ( 1.068 -12.222 -8.473) 14.910 10.391 ( -5.203 -15.926 -21.486) 27.246 11.945 ( 3.365 -1.662 -3.576) 5.184 12.071 ( 2.699 -0.477 0.024) 2.741 12.183 ( 6.433 1.342 -2.726) 7.115 12.653 ( -3.790 0.161 1.622) 4.126 12.708 ( -2.216 5.413 -1.908) 6.153 12.889 ( -7.315 2.220 1.916) 7.881 13.684 ( 5.838 0.862 -6.195) 8.556 14.215 ( -0.148 -4.047 8.977) 9.848 14.489 ( 2.917 1.488 -5.260) 6.196 14.624 ( 1.182 3.404 -3.660) 5.136 14.885 ( -1.805 -3.322 4.410) 5.809 15.120 ( -4.119 0.641 8.918) 9.844 16.630 ( 0.976 -0.819 -3.526) 3.749 16.721 ( -0.708 -3.350 -4.287) 5.487 21.152 ( 1.244 0.867 1.621) 2.219 21.279 ( -2.894 -1.887 0.254) 3.464 21.764 ( 1.390 -0.627 -0.127) 1.530 21.859 ( -1.542 -0.180 1.074) 1.888 21.961 ( -0.071 5.065 2.217) 5.529 22.052 ( -3.305 1.378 0.200) 3.587 22.450 ( 3.024 0.896 1.426) 3.461 22.495 ( 1.831 0.707 1.388) 2.404 22.618 ( -0.237 -3.041 -2.104) 3.705 22.653 ( -1.285 -2.197 -2.176) 3.348 23.015 ( 0.758 2.061 2.908) 3.644 23.076 ( -3.175 -0.437 -0.394) 3.229 23.411 ( 3.425 0.162 -1.829) 3.886 23.566 ( -0.120 1.765 -0.620) 1.875 23.617 ( -0.359 -1.635 0.768) 1.842 23.697 ( -1.473 0.212 1.239) 1.937 24.020 ( 1.068 0.896 0.796) 1.605 24.057 ( -0.814 -0.445 -1.158) 1.484 48.881 ( -0.939 6.941 10.010) 12.218 49.018 ( 1.587 4.292 5.690) 7.302 49.670 ( -22.848 7.746 16.966) 29.494 49.865 ( -25.665 4.006 13.889) 29.456 51.057 ( 11.243 9.695 18.816) 23.968 51.276 ( -7.402 -1.504 -1.244) 7.655 57.027 ( 1.866 -4.032 -9.559) 10.541 57.109 ( 2.295 -0.029 -3.018) 3.792 57.526 ( 9.403 -3.342 -3.721) 10.650 57.755 ( 1.948 1.011 -3.207) 3.886 57.945 ( 2.258 0.614 -1.623) 2.848 58.160 ( -0.907 1.891 -0.105) 2.100 ======================= Grid point 23 (17/85) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.756 -0.836 -19.728) 20.100 2.112 ( -9.948 -9.000 -8.157) 15.700 2.580 ( 3.616 1.522 6.418) 7.522 2.698 ( 13.702 14.868 5.221) 20.883 3.264 ( -18.445 0.094 0.607) 18.455 3.499 ( 1.244 6.049 9.773) 11.561 4.156 ( 6.293 -19.994 -9.619) 23.063 5.135 ( -4.455 -3.808 16.381) 17.398 5.354 ( -17.738 7.201 -3.407) 19.445 5.536 ( -0.330 1.056 -1.313) 1.717 5.783 ( -0.223 1.380 3.586) 3.849 5.928 ( -6.243 4.442 4.649) 8.962 6.253 ( -6.602 -1.479 1.434) 6.916 6.348 ( 2.968 5.032 7.083) 9.182 6.967 ( 1.930 -3.676 -8.600) 9.550 7.643 ( -17.257 8.833 8.325) 21.099 8.089 ( 11.638 0.190 0.793) 11.667 8.513 ( -6.636 5.847 10.863) 14.008 9.503 ( -7.886 -13.483 -21.657) 26.702 9.871 ( 3.526 -8.616 -19.890) 21.961 10.122 ( 22.593 1.014 4.623) 23.084 10.475 ( 22.825 -0.268 4.333) 23.234 11.950 ( 3.830 -1.203 -2.549) 4.755 12.100 ( 1.735 -0.366 1.086) 2.079 12.314 ( 12.972 1.514 -0.958) 13.095 12.577 ( -4.891 -3.375 1.324) 6.088 12.656 ( -7.314 3.282 -3.141) 8.610 12.900 ( -2.934 7.025 4.303) 8.744 13.703 ( 5.099 0.143 -4.573) 6.851 14.281 ( 0.886 -2.833 7.061) 7.659 14.492 ( 3.413 1.331 -3.835) 5.304 14.627 ( 0.752 1.239 -1.854) 2.353 14.875 ( -2.454 -2.671 3.378) 4.957 15.143 ( -5.949 0.627 6.644) 8.940 16.595 ( 1.381 -0.499 -4.773) 4.994 16.658 ( 0.383 -1.622 -3.014) 3.444 21.193 ( 1.678 0.745 0.880) 2.036 21.219 ( -3.922 -1.453 -0.098) 4.184 21.762 ( 0.124 -0.958 -0.876) 1.304 21.866 ( 0.074 -0.009 1.943) 1.944 21.992 ( -3.032 1.516 -0.023) 3.390 22.034 ( -2.099 3.818 1.935) 4.768 22.455 ( -1.104 -2.509 -2.258) 3.551 22.517 ( -0.738 -0.140 0.133) 0.763 22.619 ( 1.747 -0.995 -0.239) 2.025 22.624 ( 3.444 0.132 0.425) 3.473 23.012 ( -4.196 -0.483 -0.978) 4.335 23.062 ( 0.367 1.190 1.653) 2.069 23.447 ( 3.888 0.021 -1.123) 4.047 23.569 ( -0.489 0.324 0.570) 0.818 23.607 ( -0.278 -0.511 -0.218) 0.621 23.690 ( -1.684 0.492 1.065) 2.053 24.028 ( -1.141 -0.442 -0.811) 1.467 24.052 ( 1.416 0.745 0.673) 1.735 48.973 ( -4.386 1.680 4.837) 6.742 49.066 ( -3.319 3.606 0.471) 4.924 49.604 ( -23.499 9.429 17.686) 30.885 49.647 ( -28.567 2.152 9.143) 30.071 50.905 ( -21.119 -7.112 -12.278) 25.442 51.424 ( 1.082 4.959 10.484) 11.648 56.977 ( 8.144 -2.495 -5.604) 10.196 57.204 ( 7.520 3.244 4.144) 9.178 57.591 ( 9.634 -3.140 -4.073) 10.921 57.745 ( 0.240 -0.170 -2.041) 2.062 57.967 ( 3.273 0.261 -1.792) 3.741 58.144 ( -2.399 0.815 -0.484) 2.580 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -12.856 -1.230 -16.660) 21.080 1.796 ( -17.217 -6.354 -3.962) 18.775 2.736 ( -13.036 0.293 6.932) 14.768 2.922 ( 8.584 2.223 -0.722) 8.896 3.115 ( 3.373 7.930 1.138) 8.692 3.660 ( 2.531 5.974 6.552) 9.221 4.014 ( 8.393 -15.400 -7.769) 19.182 5.065 ( -18.950 2.176 -0.674) 19.087 5.233 ( -7.555 0.816 8.663) 11.523 5.506 ( 2.595 -2.254 -5.171) 6.209 5.846 ( 0.041 2.971 3.509) 4.598 5.886 ( -4.847 3.003 0.065) 5.702 6.220 ( -5.764 -0.822 6.092) 8.427 6.469 ( 1.859 2.688 2.528) 4.132 6.863 ( 0.154 -3.525 -5.601) 6.620 7.518 ( -18.217 6.061 4.873) 19.808 8.260 ( 9.755 0.119 0.859) 9.793 8.664 ( -1.404 5.712 9.419) 11.105 9.094 ( -9.636 -6.618 -6.854) 13.550 9.485 ( -3.784 -11.860 -21.175) 24.564 10.644 ( 31.040 4.011 5.424) 31.764 10.838 ( 23.774 0.365 2.178) 23.876 11.972 ( 3.337 -0.708 -0.997) 3.554 12.139 ( 2.199 0.083 0.883) 2.371 12.456 ( -0.181 -0.376 -0.272) 0.498 12.523 ( -7.574 -1.336 1.068) 7.764 12.585 ( 10.813 2.434 -0.914) 11.122 12.960 ( -1.265 4.506 2.442) 5.279 13.726 ( 3.989 0.011 -2.455) 4.684 14.351 ( 1.830 -1.365 4.915) 5.419 14.519 ( 3.553 1.029 -1.636) 4.045 14.620 ( -0.103 -0.149 -0.857) 0.876 14.853 ( -2.423 -1.632 1.906) 3.488 15.115 ( -6.991 0.434 3.623) 7.886 16.555 ( 1.047 -0.252 -4.762) 4.882 16.636 ( 1.125 -0.539 -1.408) 1.882 21.150 ( -4.451 -0.798 -0.247) 4.529 21.229 ( 1.968 0.473 0.294) 2.045 21.741 ( -0.889 -0.527 -0.510) 1.152 21.895 ( 1.382 -0.334 1.369) 1.974 21.937 ( -4.674 0.294 -0.369) 4.697 22.062 ( -1.211 2.973 1.287) 3.459 22.383 ( -2.215 -2.394 -1.747) 3.699 22.472 ( -3.652 -0.451 -0.791) 3.764 22.670 ( 4.306 0.081 0.641) 4.354 22.687 ( 4.200 0.389 0.453) 4.242 22.938 ( -4.466 -0.287 -0.738) 4.535 23.080 ( -0.317 0.389 0.461) 0.681 23.488 ( 3.378 -0.193 -0.484) 3.417 23.570 ( -0.785 -0.388 1.138) 1.436 23.596 ( -0.161 0.385 -0.844) 0.942 23.683 ( -1.441 0.474 0.789) 1.709 24.000 ( -1.411 -0.375 -0.495) 1.542 24.085 ( 1.667 0.411 0.400) 1.762 48.865 ( -15.354 -1.490 1.619) 15.511 49.026 ( -5.258 2.028 -1.069) 5.736 49.313 ( -31.851 0.280 3.529) 32.047 49.581 ( -16.836 9.748 13.298) 23.565 50.347 ( -27.456 -7.859 -13.029) 31.390 51.462 ( -5.553 -0.189 1.077) 5.660 57.075 ( 12.293 -0.619 -1.273) 12.374 57.421 ( 8.893 5.022 6.909) 12.330 57.638 ( 8.232 -4.036 -4.966) 10.426 57.716 ( -1.145 -0.598 -0.885) 1.566 58.001 ( 3.844 0.100 -1.103) 4.000 58.101 ( -3.255 0.006 -0.645) 3.318 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -16.736 -0.000 0.000) 16.736 1.472 ( -22.331 -0.000 0.000) 22.331 2.356 ( -35.325 -0.000 0.000) 35.325 3.176 ( 17.307 0.000 -0.000) 17.307 3.250 ( 9.085 0.000 -0.000) 9.085 3.792 ( 4.362 0.000 -0.000) 4.362 4.021 ( 10.984 0.000 -0.000) 10.984 4.828 ( -15.094 -0.000 0.000) 15.094 5.138 ( -12.936 -0.000 0.000) 12.936 5.522 ( 5.035 0.000 -0.000) 5.035 5.857 ( -0.592 -0.000 0.000) 0.592 5.892 ( -0.946 -0.000 0.000) 0.946 6.170 ( -5.511 -0.000 0.000) 5.511 6.508 ( 1.273 0.000 -0.000) 1.273 6.812 ( -0.884 -0.000 0.000) 0.884 7.343 ( -16.115 -0.000 0.000) 16.115 8.361 ( 3.562 0.000 -0.000) 3.562 8.610 ( -7.634 -0.000 0.000) 7.634 9.088 ( -1.380 -0.000 0.000) 1.380 9.222 ( 0.760 0.000 -0.000) 0.760 11.098 ( 27.336 0.000 -0.000) 27.336 11.166 ( 21.747 0.000 -0.000) 21.747 12.004 ( 2.433 0.000 -0.000) 2.433 12.169 ( 1.057 0.000 -0.000) 1.057 12.394 ( -5.556 -0.000 0.000) 5.556 12.410 ( -7.595 -0.000 0.000) 7.595 12.826 ( 18.694 0.000 -0.000) 18.694 12.983 ( -0.098 -0.000 0.000) 0.098 13.759 ( 2.917 0.000 -0.000) 2.917 14.404 ( 1.430 0.000 -0.000) 1.430 14.563 ( 3.062 0.000 -0.000) 3.062 14.608 ( -0.380 -0.000 0.000) 0.380 14.829 ( -1.525 -0.000 0.000) 1.525 15.041 ( -6.903 -0.000 0.000) 6.903 16.528 ( 0.228 0.000 -0.000) 0.228 16.644 ( 1.270 0.000 -0.000) 1.270 21.084 ( -4.336 -0.000 0.000) 4.336 21.260 ( 2.079 0.000 -0.000) 2.079 21.721 ( -1.207 -0.000 0.000) 1.207 21.867 ( -5.115 -0.000 0.000) 5.115 21.928 ( 2.339 0.000 -0.000) 2.339 22.070 ( -0.488 -0.000 0.000) 0.488 22.331 ( -2.450 -0.000 0.000) 2.450 22.410 ( -4.329 -0.000 0.000) 4.329 22.733 ( 4.052 0.000 -0.000) 4.052 22.748 ( 3.964 0.000 -0.000) 3.964 22.873 ( -4.143 -0.000 0.000) 4.143 23.075 ( -0.742 -0.000 0.000) 0.742 23.519 ( 1.140 0.000 -0.000) 1.140 23.567 ( 0.345 0.000 -0.000) 0.345 23.594 ( -0.025 -0.000 0.000) 0.025 23.673 ( -1.102 -0.000 0.000) 1.102 23.975 ( -1.471 -0.000 0.000) 1.471 24.112 ( 1.725 0.000 -0.000) 1.725 48.612 ( -20.813 -0.000 0.000) 20.813 48.878 ( -32.528 -0.000 0.000) 32.528 48.936 ( -7.579 -0.000 0.000) 7.579 49.539 ( -9.639 -0.000 0.000) 9.639 49.848 ( -24.853 -0.000 0.000) 24.853 51.367 ( -6.472 -0.000 0.000) 6.472 57.237 ( 11.557 0.000 -0.000) 11.557 57.620 ( 1.652 0.000 -0.000) 1.652 57.643 ( 6.776 0.000 -0.000) 6.776 57.712 ( 2.921 0.000 -0.000) 2.921 58.050 ( -3.081 -0.000 0.000) 3.081 58.051 ( 4.119 0.000 -0.000) 4.119 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 3.718 2.402) 4.426 2.125 ( 0.000 18.720 11.826) 22.143 2.589 ( 0.000 -6.736 -26.610) 27.449 2.848 ( -0.000 -10.291 -5.793) 11.809 3.140 ( -0.000 15.029 21.905) 26.565 3.673 ( -0.000 0.945 2.292) 2.479 4.273 ( -0.000 -22.331 -5.732) 23.055 5.131 ( -0.000 -5.454 11.787) 12.988 5.449 ( -0.000 5.262 15.421) 16.294 5.578 ( 0.000 0.916 -2.756) 2.904 5.873 ( 0.000 3.373 0.217) 3.380 5.968 ( -0.000 6.640 14.080) 15.568 6.236 ( -0.000 3.644 5.281) 6.416 6.651 ( 0.000 4.295 -5.640) 7.089 6.796 ( -0.000 -2.770 -0.929) 2.921 7.719 ( -0.000 5.303 11.024) 12.233 8.076 ( 0.000 7.995 -5.226) 9.551 8.791 ( -0.000 5.144 5.461) 7.502 8.954 ( -0.000 -0.860 3.020) 3.140 9.479 ( 0.000 2.795 -2.486) 3.741 10.335 ( 0.000 -17.244 -21.047) 27.209 10.461 ( 0.000 -17.128 -22.120) 27.976 11.893 ( 0.000 -1.658 -4.267) 4.578 11.990 ( 0.000 0.202 -1.151) 1.168 12.133 ( 0.000 -0.165 -3.342) 3.346 12.709 ( 0.000 10.844 2.818) 11.204 12.735 ( -0.000 -3.931 -2.103) 4.458 13.020 ( 0.000 1.816 0.894) 2.024 13.578 ( 0.000 1.048 -5.621) 5.718 14.214 ( -0.000 -4.591 7.627) 8.902 14.446 ( 0.000 1.873 -5.037) 5.374 14.608 ( 0.000 3.617 -2.958) 4.673 14.911 ( -0.000 -3.334 4.589) 5.672 15.179 ( -0.000 0.829 9.275) 9.312 16.618 ( 0.000 -1.134 -3.254) 3.445 16.732 ( 0.000 -4.252 -5.339) 6.826 21.135 ( -0.000 0.609 1.929) 2.023 21.321 ( -0.000 -1.928 0.466) 1.984 21.742 ( -0.000 -0.145 0.162) 0.217 21.888 ( -0.000 -0.130 0.547) 0.562 21.962 ( 0.000 5.715 3.052) 6.479 22.103 ( 0.000 1.554 0.243) 1.573 22.398 ( -0.000 1.063 2.032) 2.293 22.459 ( -0.000 1.028 1.785) 2.060 22.629 ( -0.000 -3.950 -2.951) 4.931 22.673 ( -0.000 -2.364 -2.261) 3.271 23.004 ( -0.000 2.331 3.240) 3.991 23.128 ( -0.000 -0.110 0.847) 0.854 23.354 ( 0.000 0.106 -2.694) 2.696 23.566 ( 0.000 2.661 -1.198) 2.918 23.623 ( -0.000 -2.229 1.146) 2.506 23.718 ( -0.000 -0.091 1.220) 1.223 24.005 ( 0.000 0.907 0.834) 1.232 24.068 ( 0.000 -0.282 -1.262) 1.293 48.938 ( -0.000 6.574 10.244) 12.172 48.949 ( -0.000 4.833 10.822) 11.852 50.063 ( -0.000 10.069 14.323) 17.508 50.347 ( -0.000 0.190 11.587) 11.588 50.783 ( -0.000 16.655 30.834) 35.045 51.341 ( -0.000 2.435 6.988) 7.400 57.029 ( 0.000 -6.111 -16.048) 17.172 57.065 ( 0.000 -0.545 -5.555) 5.582 57.361 ( -0.000 -4.737 -3.895) 6.133 57.705 ( 0.000 1.557 -3.423) 3.760 57.927 ( 0.000 1.207 -0.491) 1.303 58.171 ( 0.000 3.199 0.343) 3.217 ======================= Grid point 31 (21/85) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 9.493 -0.310 -6.130) 11.305 2.248 ( -3.257 -4.802 -17.666) 18.595 2.434 ( 5.569 16.323 8.615) 19.278 2.689 ( -5.395 -5.657 -2.290) 8.146 3.454 ( 0.410 10.493 14.120) 17.597 3.657 ( -6.941 0.891 1.532) 7.164 4.034 ( 2.314 -21.801 -7.664) 23.224 5.210 ( -1.867 -3.047 11.599) 12.137 5.539 ( -1.160 0.081 -1.165) 1.645 5.650 ( 0.511 4.560 8.798) 9.923 5.893 ( -4.012 2.078 0.632) 4.562 6.124 ( -9.017 6.467 13.123) 17.185 6.302 ( -0.252 3.437 7.077) 7.871 6.507 ( -10.942 0.946 -4.361) 11.817 6.829 ( 7.943 -1.710 -6.309) 10.287 7.805 ( 4.408 -4.699 4.215) 7.699 8.110 ( -11.456 16.096 5.018) 20.383 8.804 ( -11.775 0.615 3.924) 12.427 9.128 ( 21.433 5.769 2.980) 22.395 9.577 ( 11.571 1.483 -9.186) 14.848 10.027 ( 4.925 -13.212 -9.129) 16.798 10.065 ( -1.706 -17.404 -21.334) 27.585 11.854 ( 2.236 -1.277 -3.229) 4.130 12.013 ( 4.405 0.213 -0.369) 4.425 12.106 ( 1.400 -0.283 -2.398) 2.791 12.678 ( -2.060 -2.599 -0.650) 3.380 12.788 ( -2.056 6.283 0.281) 6.616 13.025 ( -4.524 4.164 2.531) 6.649 13.559 ( 4.213 0.134 -4.149) 5.914 14.250 ( 0.817 -3.132 3.936) 5.096 14.420 ( 1.470 1.467 -3.764) 4.298 14.616 ( 0.156 1.374 0.187) 1.396 14.925 ( -1.015 -2.539 3.368) 4.338 15.263 ( -2.381 0.857 7.113) 7.550 16.573 ( 0.351 -0.883 -3.638) 3.760 16.651 ( 0.122 -2.479 -4.138) 4.825 21.161 ( 0.588 0.419 1.269) 1.460 21.300 ( -1.644 -1.494 0.210) 2.232 21.743 ( 0.619 -0.506 -0.300) 0.854 21.892 ( -1.093 0.450 1.156) 1.653 22.032 ( -0.628 4.539 2.252) 5.105 22.108 ( -1.897 1.804 0.944) 2.783 22.432 ( 1.622 0.119 0.323) 1.658 22.490 ( 1.309 0.333 1.051) 1.711 22.570 ( 0.307 -3.128 -1.770) 3.607 22.629 ( -0.719 -1.711 -1.718) 2.529 23.053 ( 0.182 1.605 2.336) 2.840 23.114 ( -2.732 -0.186 0.143) 2.742 23.348 ( 2.726 0.094 -1.852) 3.297 23.572 ( 0.060 1.666 -0.788) 1.844 23.617 ( -0.273 -1.631 0.835) 1.852 23.724 ( -0.661 0.002 0.867) 1.090 24.024 ( 0.538 0.811 0.715) 1.208 24.052 ( -0.450 -0.160 -0.868) 0.990 49.049 ( -2.275 4.165 7.443) 8.827 49.098 ( 0.754 3.337 5.533) 6.505 50.183 ( -14.083 8.196 13.439) 21.121 50.328 ( -16.806 1.191 9.037) 19.119 51.202 ( 0.890 7.447 10.049) 12.539 51.441 ( -3.824 4.787 14.732) 15.955 56.819 ( 2.789 -5.816 -13.494) 14.956 57.038 ( 3.922 0.446 -2.497) 4.671 57.337 ( 6.351 -3.653 -3.346) 8.055 57.700 ( 1.802 1.358 -2.326) 3.241 57.931 ( 0.021 0.877 -0.294) 0.925 58.192 ( -0.952 2.345 0.264) 2.545 ======================= Grid point 32 (22/85) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 3.124 -1.565 -12.174) 12.666 2.044 ( -1.596 -4.722 -5.737) 7.600 2.606 ( -0.617 -0.720 1.551) 1.818 2.731 ( 7.326 12.201 5.708) 15.334 3.525 ( -15.319 1.319 1.265) 15.427 3.627 ( 0.995 5.436 4.460) 7.101 3.846 ( 3.268 -16.204 -4.938) 17.252 5.296 ( -0.459 -0.817 9.510) 9.556 5.501 ( -0.965 -1.331 -2.612) 3.087 5.664 ( -18.561 4.180 1.420) 19.079 5.823 ( -0.355 0.248 1.435) 1.499 6.133 ( -11.753 3.388 4.236) 12.944 6.344 ( -4.097 -0.277 1.323) 4.314 6.444 ( 0.006 3.496 6.381) 7.276 6.810 ( 3.738 -2.461 -6.931) 8.250 7.923 ( 11.750 -2.351 1.645) 12.096 8.058 ( -19.632 8.696 4.934) 22.032 8.783 ( -5.948 6.590 10.199) 13.522 9.284 ( 0.027 -5.481 -10.477) 11.824 9.546 ( 2.104 -7.417 -16.912) 18.586 9.837 ( 19.829 -3.101 -1.510) 20.127 10.170 ( 23.266 -2.385 0.894) 23.405 11.862 ( 3.934 -0.716 -1.611) 4.311 12.081 ( 2.440 0.019 0.923) 2.609 12.143 ( 9.776 0.156 -1.673) 9.920 12.623 ( -3.355 -1.389 0.132) 3.634 12.751 ( -6.490 1.776 -0.987) 6.800 13.032 ( -3.811 4.296 2.318) 6.193 13.593 ( 5.393 -0.074 -2.176) 5.816 14.284 ( 2.291 -1.353 1.679) 3.146 14.426 ( 2.709 0.864 -1.953) 3.450 14.629 ( -0.284 -0.033 1.013) 1.052 14.918 ( -1.921 -1.420 1.772) 2.974 15.281 ( -4.625 0.521 3.851) 6.041 16.536 ( 0.404 -0.458 -2.783) 2.849 16.609 ( 0.785 -1.023 -2.078) 2.445 21.186 ( 1.120 0.273 0.571) 1.286 21.259 ( -3.114 -0.813 0.025) 3.219 21.744 ( 0.558 -0.442 -0.348) 0.793 21.892 ( -1.067 0.298 0.985) 1.482 22.044 ( -2.736 1.117 0.181) 2.961 22.115 ( -2.288 2.866 1.834) 4.101 22.423 ( -0.349 -1.935 -1.801) 2.666 22.521 ( 1.032 0.256 0.637) 1.240 22.570 ( 2.864 -1.025 -0.304) 3.057 22.599 ( 0.437 -0.360 -0.319) 0.650 23.061 ( -4.243 -0.174 -0.286) 4.256 23.084 ( -0.025 0.741 1.051) 1.286 23.382 ( 3.975 0.020 -0.766) 4.048 23.578 ( 0.206 0.808 -0.120) 0.843 23.607 ( -0.589 -0.874 0.260) 1.085 23.720 ( -1.064 0.129 0.498) 1.182 24.034 ( -0.919 -0.119 -0.431) 1.022 24.047 ( 0.999 0.442 0.388) 1.159 49.096 ( -3.859 1.392 3.938) 5.687 49.139 ( -2.623 1.947 0.928) 3.396 50.105 ( -22.329 2.347 6.403) 23.347 50.168 ( -22.081 4.952 9.840) 24.676 51.057 ( -20.666 -2.655 -4.854) 21.394 51.608 ( -5.001 4.644 9.714) 11.872 56.757 ( 9.622 -2.949 -6.228) 11.835 57.148 ( 10.201 2.604 2.328) 10.783 57.377 ( 8.697 -3.471 -3.918) 10.151 57.713 ( 1.544 0.613 -1.275) 2.094 57.936 ( 0.565 0.297 -0.179) 0.663 58.184 ( -2.414 1.013 -0.046) 2.618 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -7.534 -0.000 0.000) 7.534 1.933 ( -9.034 -0.000 0.000) 9.034 2.707 ( 12.540 0.000 -0.000) 12.540 2.896 ( 3.415 0.000 -0.000) 3.415 3.291 ( -18.933 -0.000 0.000) 18.933 3.744 ( -0.733 -0.000 0.000) 0.733 3.753 ( 8.164 0.000 -0.000) 8.164 5.367 ( -23.277 -0.000 0.000) 23.277 5.389 ( 3.380 0.000 -0.000) 3.380 5.420 ( -5.947 -0.000 0.000) 5.947 5.865 ( 2.225 0.000 -0.000) 2.225 5.986 ( -10.482 -0.000 0.000) 10.482 6.330 ( -3.513 -0.000 0.000) 3.513 6.492 ( -0.368 -0.000 0.000) 0.368 6.793 ( 2.178 0.000 -0.000) 2.178 7.842 ( -20.243 -0.000 0.000) 20.243 8.098 ( 13.071 0.000 -0.000) 13.071 8.820 ( -6.622 -0.000 0.000) 6.622 9.227 ( -1.319 -0.000 0.000) 1.319 9.242 ( -7.089 -0.000 0.000) 7.089 10.251 ( 32.287 0.000 -0.000) 32.287 10.510 ( 25.313 0.000 -0.000) 25.313 11.909 ( 4.321 0.000 -0.000) 4.321 12.113 ( 2.137 0.000 -0.000) 2.137 12.313 ( 14.526 0.000 -0.000) 14.526 12.568 ( -3.682 -0.000 0.000) 3.682 12.644 ( -8.600 -0.000 0.000) 8.600 13.020 ( -2.615 -0.000 0.000) 2.615 13.652 ( 4.894 0.000 -0.000) 4.894 14.328 ( 3.241 0.000 -0.000) 3.241 14.463 ( 3.597 0.000 -0.000) 3.597 14.627 ( -0.711 -0.000 0.000) 0.711 14.892 ( -2.465 -0.000 0.000) 2.465 15.230 ( -6.241 -0.000 0.000) 6.241 16.521 ( 0.263 0.000 -0.000) 0.263 16.608 ( 1.238 0.000 -0.000) 1.238 21.205 ( -4.137 -0.000 0.000) 4.137 21.209 ( 1.577 0.000 -0.000) 1.577 21.743 ( -0.111 -0.000 0.000) 0.111 21.891 ( 0.043 0.000 -0.000) 0.043 21.999 ( -4.165 -0.000 0.000) 4.165 22.108 ( -2.160 -0.000 0.000) 2.160 22.387 ( -1.510 -0.000 0.000) 1.510 22.510 ( -2.522 -0.000 0.000) 2.522 22.614 ( 4.161 0.000 -0.000) 4.161 22.635 ( 3.816 0.000 -0.000) 3.816 22.996 ( -4.625 -0.000 0.000) 4.625 23.089 ( -0.301 -0.000 0.000) 0.301 23.434 ( 3.978 0.000 -0.000) 3.978 23.587 ( 0.434 0.000 -0.000) 0.434 23.592 ( -1.092 -0.000 0.000) 1.092 23.708 ( -1.267 -0.000 0.000) 1.267 24.015 ( -1.305 -0.000 0.000) 1.305 24.067 ( 1.408 0.000 -0.000) 1.408 49.036 ( -8.947 -0.000 0.000) 8.947 49.100 ( -4.458 -0.000 0.000) 4.458 49.778 ( -30.331 -0.000 0.000) 30.331 49.972 ( -20.657 -0.000 0.000) 20.657 50.637 ( -29.822 -0.000 0.000) 29.822 51.573 ( -8.048 -0.000 0.000) 8.048 56.879 ( 13.380 0.000 -0.000) 13.380 57.366 ( 13.393 0.000 -0.000) 13.393 57.434 ( 7.865 0.000 -0.000) 7.865 57.719 ( -0.003 -0.000 0.000) 0.003 57.953 ( 2.171 0.000 -0.000) 2.171 58.146 ( -3.414 -0.000 0.000) 3.414 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 -1.397 -7.487) 7.616 2.073 ( 0.000 -3.926 -9.183) 9.987 2.621 ( 0.000 13.498 7.315) 15.353 2.667 ( -0.000 -2.839 -1.227) 3.092 3.600 ( 0.000 1.078 0.595) 1.232 3.735 ( -0.000 1.858 2.608) 3.202 3.820 ( -0.000 -12.222 -0.876) 12.253 5.306 ( -0.000 -0.818 6.561) 6.612 5.512 ( 0.000 -1.298 -2.180) 2.537 5.763 ( -0.000 2.736 5.123) 5.808 5.985 ( -0.000 2.801 4.618) 5.401 6.352 ( -0.000 1.166 1.432) 1.846 6.397 ( -0.000 3.758 12.615) 13.163 6.594 ( 0.000 2.520 -4.521) 5.176 6.646 ( 0.000 -3.091 -5.352) 6.180 7.737 ( -0.000 -3.967 -0.038) 3.968 8.408 ( 0.000 11.847 6.371) 13.451 8.869 ( 0.000 -0.474 -2.222) 2.272 9.126 ( -0.000 7.617 10.010) 12.579 9.448 ( 0.000 5.681 -4.017) 6.958 9.703 ( 0.000 -17.231 -19.939) 26.353 9.789 ( -0.000 -10.781 -5.403) 12.060 11.801 ( 0.000 -0.698 -1.819) 1.948 11.975 ( 0.000 0.104 -0.431) 0.443 12.076 ( 0.000 -0.317 -1.174) 1.216 12.671 ( -0.000 -1.227 -0.366) 1.281 12.842 ( 0.000 2.715 0.001) 2.715 13.115 ( 0.000 3.342 1.859) 3.825 13.492 ( 0.000 -0.102 -2.219) 2.221 14.250 ( -0.000 -1.475 0.999) 1.781 14.387 ( 0.000 0.827 -1.987) 2.152 14.633 ( -0.000 0.052 1.376) 1.377 14.946 ( -0.000 -1.353 1.773) 2.231 15.348 ( -0.000 0.562 3.948) 3.988 16.531 ( 0.000 -0.523 -2.360) 2.417 16.597 ( 0.000 -1.235 -2.387) 2.688 21.170 ( -0.000 0.168 0.666) 0.687 21.304 ( -0.000 -0.823 0.091) 0.828 21.733 ( -0.000 -0.308 -0.223) 0.380 21.915 ( -0.000 0.474 0.766) 0.900 22.083 ( 0.000 2.050 0.884) 2.232 22.153 ( 0.000 2.354 1.711) 2.911 22.414 ( -0.000 -0.933 -0.956) 1.336 22.490 ( -0.000 -0.011 0.389) 0.389 22.533 ( -0.000 -1.709 -0.568) 1.801 22.609 ( -0.000 -0.830 -0.846) 1.185 23.083 ( -0.000 0.859 1.300) 1.558 23.138 ( -0.000 -0.078 0.268) 0.279 23.308 ( 0.000 0.032 -1.267) 1.267 23.574 ( 0.000 0.870 -0.521) 1.014 23.617 ( -0.000 -0.914 0.530) 1.056 23.736 ( -0.000 -0.030 0.437) 0.438 24.032 ( 0.000 0.483 0.427) 0.645 24.047 ( 0.000 -0.027 -0.446) 0.447 49.153 ( -0.000 1.999 3.255) 3.820 49.165 ( -0.000 1.816 3.675) 4.099 50.429 ( -0.000 3.044 5.670) 6.435 50.518 ( -0.000 0.960 4.532) 4.632 51.334 ( 0.000 3.215 3.335) 4.632 51.707 ( -0.000 6.118 15.010) 16.209 56.615 ( 0.000 -4.223 -9.673) 10.555 56.974 ( 0.000 -0.153 -2.067) 2.072 57.249 ( -0.000 -1.830 -1.344) 2.271 57.681 ( 0.000 0.985 -0.848) 1.300 57.936 ( 0.000 0.591 -0.122) 0.604 58.219 ( 0.000 1.413 0.246) 1.434 ======================= Grid point 41 (25/85) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 6.054 0.000 -0.000) 6.054 2.001 ( -0.594 -0.000 0.000) 0.594 2.631 ( -2.305 -0.000 0.000) 2.305 2.752 ( 3.609 0.000 -0.000) 3.609 3.589 ( 3.371 0.000 -0.000) 3.371 3.706 ( -8.253 -0.000 0.000) 8.253 3.783 ( -1.214 -0.000 0.000) 1.214 5.345 ( 0.346 0.000 -0.000) 0.346 5.487 ( -0.653 -0.000 0.000) 0.653 5.810 ( 1.290 0.000 -0.000) 1.290 5.940 ( -13.025 -0.000 0.000) 13.025 6.363 ( -0.108 -0.000 0.000) 0.108 6.384 ( -16.268 -0.000 0.000) 16.268 6.500 ( 0.117 0.000 -0.000) 0.117 6.698 ( 5.579 0.000 -0.000) 5.579 7.777 ( 7.930 0.000 -0.000) 7.930 8.379 ( -15.218 -0.000 0.000) 15.218 8.879 ( 2.974 0.000 -0.000) 2.974 9.290 ( -3.087 -0.000 0.000) 3.087 9.389 ( -3.081 -0.000 0.000) 3.081 9.546 ( 13.893 0.000 -0.000) 13.893 9.861 ( 18.655 0.000 -0.000) 18.655 11.805 ( 2.399 0.000 -0.000) 2.399 12.014 ( 5.966 0.000 -0.000) 5.966 12.073 ( 0.730 0.000 -0.000) 0.730 12.652 ( -1.717 -0.000 0.000) 1.717 12.826 ( -3.719 -0.000 0.000) 3.719 13.113 ( -3.366 -0.000 0.000) 3.366 13.511 ( 4.271 0.000 -0.000) 4.271 14.259 ( 1.444 0.000 -0.000) 1.444 14.390 ( 1.480 0.000 -0.000) 1.480 14.640 ( -0.207 -0.000 0.000) 0.207 14.943 ( -1.055 -0.000 0.000) 1.055 15.355 ( -2.497 -0.000 0.000) 2.497 16.516 ( 0.116 0.000 -0.000) 0.116 16.583 ( 0.521 0.000 -0.000) 0.521 21.179 ( 0.571 0.000 -0.000) 0.571 21.289 ( -1.688 -0.000 0.000) 1.688 21.733 ( 0.428 0.000 -0.000) 0.428 21.914 ( -1.000 -0.000 0.000) 1.000 22.083 ( -1.749 -0.000 0.000) 1.749 22.166 ( -1.461 -0.000 0.000) 1.461 22.403 ( 0.238 0.000 -0.000) 0.238 22.505 ( 1.755 0.000 -0.000) 1.755 22.533 ( 1.369 0.000 -0.000) 1.369 22.597 ( -0.488 -0.000 0.000) 0.488 23.094 ( -0.044 -0.000 0.000) 0.044 23.113 ( -3.364 -0.000 0.000) 3.364 23.326 ( 3.218 0.000 -0.000) 3.218 23.576 ( 0.268 0.000 -0.000) 0.268 23.613 ( -0.394 -0.000 0.000) 0.394 23.734 ( -0.535 -0.000 0.000) 0.535 24.040 ( 0.512 0.000 -0.000) 0.512 24.041 ( -0.512 -0.000 0.000) 0.512 49.167 ( -1.865 -0.000 0.000) 1.865 49.182 ( -1.526 -0.000 0.000) 1.526 50.385 ( -11.925 -0.000 0.000) 11.925 50.470 ( -11.644 -0.000 0.000) 11.644 51.274 ( -12.859 -0.000 0.000) 12.859 51.779 ( -5.842 -0.000 0.000) 5.842 56.586 ( 6.390 0.000 -0.000) 6.390 57.023 ( 8.589 0.000 -0.000) 8.589 57.261 ( 3.797 0.000 -0.000) 3.797 57.689 ( 1.181 0.000 -0.000) 1.181 57.936 ( -0.173 -0.000 0.000) 0.173 58.216 ( -1.428 -0.000 0.000) 1.428 ======================= Grid point 91 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.000 -0.000 24.060) 24.060 0.837 ( -0.000 0.000 24.060) 24.060 1.495 ( -0.000 -0.000 41.170) 41.170 3.565 ( -0.000 0.000 -4.940) 4.940 3.565 ( 0.000 0.000 -4.940) 4.940 3.635 ( 0.000 0.000 -21.435) 21.435 4.775 ( -0.000 0.000 16.933) 16.933 4.775 ( -0.000 -0.000 16.933) 16.933 4.878 ( -0.000 -0.000 11.692) 11.692 5.456 ( -0.000 -0.000 3.398) 3.398 5.456 ( 0.000 0.000 3.398) 3.398 6.075 ( -0.000 -0.000 -6.525) 6.525 6.075 ( 0.000 0.000 -6.525) 6.525 6.718 ( -0.000 -0.000 9.087) 9.087 6.759 ( -0.000 -0.000 0.941) 0.941 6.759 ( 0.000 0.000 0.941) 0.941 8.280 ( 0.000 0.000 -0.829) 0.829 8.360 ( -0.000 -0.000 2.166) 2.166 9.254 ( 0.000 -0.000 -1.227) 1.227 9.254 ( 0.000 0.000 -1.227) 1.227 11.573 ( 0.000 0.000 -17.258) 17.258 11.573 ( 0.000 0.000 -17.258) 17.258 12.024 ( 0.000 0.000 -1.537) 1.537 12.195 ( 0.000 0.000 -6.738) 6.738 12.205 ( -0.000 0.000 0.503) 0.503 12.205 ( 0.000 0.000 0.503) 0.503 12.981 ( 0.000 0.000 -2.282) 2.282 12.981 ( 0.000 0.000 -2.282) 2.282 13.568 ( -0.000 -0.000 1.020) 1.020 13.997 ( -0.000 -0.000 9.847) 9.847 14.580 ( 0.000 -0.000 -3.482) 3.482 14.580 ( 0.000 -0.000 -3.482) 3.482 14.883 ( -0.000 -0.000 4.181) 4.181 14.883 ( -0.000 -0.000 4.181) 4.181 16.699 ( -0.000 -0.000 0.200) 0.200 17.260 ( 0.000 0.000 -9.925) 9.925 21.017 ( -0.000 -0.000 3.152) 3.152 21.360 ( -0.000 -0.000 1.213) 1.213 21.702 ( -0.000 0.000 1.382) 1.382 21.702 ( -0.000 0.000 1.382) 1.382 22.013 ( -0.000 0.000 -1.273) 1.273 22.013 ( 0.000 -0.000 -1.273) 1.273 22.283 ( -0.000 -0.000 3.113) 3.113 22.283 ( -0.000 -0.000 3.113) 3.113 22.789 ( -0.000 -0.000 3.443) 3.443 22.833 ( 0.000 0.000 -2.167) 2.167 22.833 ( 0.000 0.000 -2.167) 2.167 23.079 ( -0.000 -0.000 1.866) 1.866 23.454 ( 0.000 -0.000 -1.241) 1.241 23.454 ( 0.000 0.000 -1.241) 1.241 23.661 ( -0.000 0.000 1.372) 1.372 23.661 ( -0.000 0.000 1.372) 1.372 23.975 ( 0.000 0.000 -0.153) 0.153 24.142 ( 0.000 0.000 -1.647) 1.647 48.188 ( -0.000 -0.000 19.790) 19.790 48.188 ( -0.000 -0.000 19.790) 19.790 49.403 ( -0.000 -0.000 9.816) 9.816 49.656 ( -0.000 -0.000 17.921) 17.921 49.656 ( -0.000 -0.000 17.921) 17.921 50.829 ( -0.000 -0.000 6.034) 6.034 57.423 ( 0.000 0.000 -6.059) 6.059 57.423 ( 0.000 0.000 -6.059) 6.059 57.751 ( 0.000 0.000 -4.665) 4.665 57.751 ( 0.000 0.000 -4.665) 4.665 57.937 ( 0.000 0.000 -3.356) 3.356 58.113 ( 0.000 0.000 -3.862) 3.862 ======================= Grid point 92 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 11.539 6.662 18.994) 23.202 1.227 ( 9.726 5.615 20.947) 23.768 1.988 ( 5.356 3.092 35.517) 36.051 3.337 ( -3.363 -1.942 -25.774) 26.064 3.376 ( -8.719 -5.034 -4.721) 11.120 3.594 ( 2.251 1.300 -3.537) 4.390 4.917 ( -4.666 -2.694 19.309) 20.047 4.964 ( -3.955 -2.283 15.049) 15.727 4.981 ( -1.124 -0.649 15.162) 15.217 5.435 ( -0.341 -0.197 1.828) 1.870 5.655 ( 9.094 5.250 4.180) 11.302 5.874 ( -8.360 -4.827 -9.286) 13.395 6.034 ( -1.071 -0.618 -3.253) 3.480 6.625 ( -6.398 -3.694 -0.921) 7.445 6.862 ( 2.583 1.491 10.473) 10.890 6.932 ( 7.946 4.588 3.299) 9.750 8.246 ( -2.360 -1.363 -2.229) 3.521 8.523 ( 15.241 8.799 2.889) 17.834 9.042 ( -11.752 -6.785 -4.678) 14.354 9.432 ( 12.579 7.262 1.133) 14.569 11.273 ( -7.530 -4.348 -21.798) 23.468 11.332 ( -4.179 -2.413 -20.665) 21.221 12.019 ( 1.811 1.046 -1.849) 2.791 12.103 ( -0.761 -0.440 -5.632) 5.700 12.169 ( -1.236 -0.713 -0.479) 1.505 12.287 ( 4.220 2.436 1.686) 5.156 12.901 ( -3.141 -1.814 -3.856) 5.294 13.007 ( 1.880 1.085 -4.548) 5.039 13.615 ( 4.470 2.581 -0.911) 5.242 14.108 ( -1.473 -0.850 11.947) 12.067 14.536 ( 1.610 0.930 -4.787) 5.135 14.556 ( 1.984 1.145 -5.929) 6.356 14.916 ( -1.745 -1.007 5.236) 5.610 14.948 ( -0.644 -0.372 7.401) 7.439 16.694 ( -0.149 -0.086 -0.830) 0.848 17.078 ( -6.024 -3.478 -8.482) 10.970 21.058 ( 0.407 0.235 3.472) 3.503 21.362 ( -1.306 -0.754 1.135) 1.887 21.731 ( 1.554 0.897 1.497) 2.337 21.732 ( 0.807 0.466 2.068) 2.269 21.961 ( -1.983 -1.145 -1.530) 2.754 22.030 ( 0.793 0.458 -0.566) 1.076 22.316 ( 0.922 0.532 3.189) 3.362 22.348 ( 2.118 1.223 3.111) 3.957 22.792 ( -1.208 -0.697 -2.590) 2.941 22.796 ( -1.144 -0.660 -2.717) 3.021 22.844 ( 1.159 0.669 4.063) 4.277 23.098 ( -0.264 -0.152 1.710) 1.737 23.433 ( 0.542 0.313 -2.197) 2.284 23.470 ( 1.877 1.084 -0.958) 2.369 23.669 ( -0.558 -0.322 1.336) 1.483 23.676 ( -0.578 -0.334 1.621) 1.753 23.975 ( 0.186 0.108 0.201) 0.294 24.118 ( -0.403 -0.232 -1.892) 1.948 48.364 ( -2.786 -1.609 22.560) 22.789 48.537 ( 6.902 3.985 22.021) 23.419 49.488 ( -5.089 -2.938 12.027) 13.386 49.712 ( -15.784 -9.113 23.489) 29.730 49.950 ( 8.942 5.163 23.616) 25.774 51.063 ( 13.841 7.991 3.952) 16.464 57.287 ( -2.666 -1.539 -8.065) 8.633 57.405 ( 1.159 0.669 -7.386) 7.506 57.641 ( -1.340 -0.774 -5.817) 6.020 57.742 ( 1.982 1.144 -4.777) 5.297 57.914 ( 1.887 1.089 -3.558) 4.172 58.085 ( 1.944 1.123 -3.764) 4.383 ======================= Grid point 93 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 9.858 5.691 16.422) 19.982 1.628 ( 18.657 10.771 13.145) 25.236 2.408 ( 0.884 0.511 25.227) 25.248 2.949 ( -5.846 -3.375 -27.753) 28.562 3.186 ( -6.261 -3.615 -1.145) 7.320 3.554 ( -3.460 -1.997 -2.465) 4.694 4.989 ( -7.725 -4.460 11.452) 14.516 5.014 ( -7.337 -4.236 17.075) 19.061 5.162 ( 0.568 0.328 15.618) 15.631 5.432 ( -2.901 -1.675 -6.336) 7.167 5.655 ( -2.991 -1.727 -1.142) 3.637 5.845 ( 7.647 4.415 0.354) 8.837 5.983 ( -3.270 -1.888 3.970) 5.479 6.491 ( -6.181 -3.568 -2.799) 7.666 7.048 ( 3.890 2.246 11.877) 12.698 7.099 ( 5.615 3.242 3.638) 7.434 8.149 ( -3.816 -2.203 -3.787) 5.810 8.729 ( -12.468 -7.198 -4.814) 15.180 8.973 ( 25.149 14.520 4.485) 29.384 9.728 ( 17.424 10.060 1.297) 20.161 10.837 ( -12.023 -6.941 -22.919) 26.795 10.976 ( -8.144 -4.702 -22.598) 24.477 12.044 ( 0.653 0.377 -5.134) 5.189 12.054 ( 3.461 1.998 -0.826) 4.081 12.155 ( 1.251 0.722 -1.526) 2.101 12.396 ( 4.701 2.714 3.227) 6.315 12.784 ( -4.127 -2.383 -5.042) 6.938 12.941 ( -4.260 -2.459 -2.047) 5.328 13.684 ( 5.629 3.250 -4.117) 7.694 14.201 ( -2.611 -1.508 11.466) 11.856 14.526 ( 2.603 1.503 -6.770) 7.407 14.537 ( 3.537 2.042 -3.580) 5.431 14.933 ( -2.784 -1.608 5.167) 6.085 15.016 ( -1.862 -1.075 8.652) 8.915 16.676 ( 0.095 0.055 -2.258) 2.260 16.892 ( -4.684 -2.705 -6.837) 8.718 21.106 ( 0.794 0.458 3.021) 3.157 21.336 ( -2.636 -1.522 0.718) 3.127 21.776 ( 1.116 0.645 2.700) 2.992 21.784 ( 2.207 1.274 1.244) 2.836 21.910 ( -1.806 -1.043 -1.130) 2.372 22.026 ( -0.825 -0.476 0.050) 0.954 22.384 ( 2.703 1.561 2.730) 4.146 22.425 ( 2.608 1.506 2.727) 4.063 22.733 ( -1.896 -1.095 -2.756) 3.520 22.733 ( -2.103 -1.214 -3.131) 3.963 22.918 ( 1.759 1.015 4.166) 4.635 23.098 ( -1.456 -0.841 0.643) 1.800 23.427 ( 1.634 0.943 -2.121) 2.838 23.498 ( 2.114 1.221 -0.726) 2.547 23.669 ( -0.954 -0.551 1.024) 1.504 23.676 ( -1.395 -0.805 1.638) 2.297 23.989 ( 0.831 0.480 0.562) 1.112 24.087 ( -0.643 -0.371 -1.747) 1.898 48.584 ( -0.701 -0.405 22.378) 22.393 48.860 ( 3.354 1.936 17.429) 17.854 49.479 ( -11.299 -6.524 13.463) 18.748 49.667 ( -16.495 -9.523 21.510) 28.731 50.474 ( 16.032 9.256 26.304) 32.165 51.288 ( 5.883 3.396 0.420) 6.806 57.161 ( -1.287 -0.743 -6.999) 7.155 57.269 ( -3.971 -2.292 -9.905) 10.915 57.624 ( 4.263 2.461 -3.447) 6.009 57.724 ( 1.810 1.045 -4.105) 4.606 57.925 ( 3.539 2.043 -3.697) 5.511 58.096 ( 2.996 1.730 -3.177) 4.697 ======================= Grid point 94 (29/85) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.968 2.291 5.171) 6.909 2.115 ( 20.984 12.115 7.153) 25.264 2.478 ( -12.560 -7.252 8.768) 16.948 2.569 ( -3.182 -1.837 -19.053) 19.405 3.217 ( 4.259 2.459 8.973) 10.232 3.400 ( -10.492 -6.057 -2.655) 12.402 4.938 ( -9.802 -5.659 8.201) 13.977 4.995 ( -9.061 -5.232 2.524) 10.763 5.228 ( -6.187 -3.572 -2.721) 7.645 5.346 ( 2.006 1.158 13.297) 13.497 5.726 ( 2.162 1.248 5.761) 6.279 5.856 ( -1.659 -0.958 -2.555) 3.194 6.105 ( 5.082 2.934 9.611) 11.261 6.340 ( -6.443 -3.720 -2.914) 7.990 7.194 ( 1.074 0.620 1.532) 1.971 7.233 ( 1.815 1.048 8.732) 8.980 8.080 ( 1.147 0.662 -0.517) 1.422 8.462 ( -11.003 -6.353 -1.058) 12.749 9.559 ( 30.487 17.602 5.787) 35.676 9.987 ( 8.681 5.012 -13.899) 17.137 10.433 ( -3.522 -2.033 -8.212) 9.164 10.548 ( -10.408 -6.009 -22.937) 25.895 12.012 ( 1.371 0.792 -3.932) 4.239 12.100 ( 0.934 0.539 1.053) 1.507 12.216 ( 8.342 4.816 -2.067) 9.852 12.522 ( 4.329 2.499 3.798) 6.278 12.645 ( -4.436 -2.561 -5.569) 7.567 12.832 ( -6.729 -3.885 1.573) 7.928 13.725 ( 4.573 2.640 -5.186) 7.401 14.270 ( -2.129 -1.229 9.037) 9.365 14.505 ( 3.002 1.733 -6.022) 6.949 14.576 ( 3.203 1.849 -1.188) 3.885 14.929 ( -3.459 -1.997 4.484) 6.005 15.064 ( -3.225 -1.862 7.955) 8.784 16.648 ( 0.648 0.374 -3.908) 3.979 16.759 ( -2.422 -1.399 -5.424) 6.103 21.153 ( 1.181 0.682 2.198) 2.587 21.283 ( -3.630 -2.096 0.176) 4.196 21.815 ( -0.140 -0.081 -0.475) 0.502 21.831 ( 1.292 0.746 3.214) 3.543 21.889 ( 0.610 0.352 0.578) 0.911 22.001 ( -2.182 -1.260 0.388) 2.550 22.463 ( 2.803 1.618 1.474) 3.556 22.498 ( 2.219 1.281 1.952) 3.221 22.657 ( -2.055 -1.187 -2.989) 3.817 22.670 ( -1.605 -0.927 -2.144) 2.834 22.994 ( 1.680 0.970 3.421) 3.932 23.057 ( -2.862 -1.652 -0.621) 3.363 23.447 ( 2.654 1.532 -1.464) 3.396 23.527 ( 1.688 0.975 -0.434) 1.997 23.655 ( -1.454 -0.839 0.515) 1.756 23.665 ( -1.643 -0.948 1.662) 2.522 24.017 ( 1.346 0.777 0.781) 1.739 24.056 ( -0.835 -0.482 -1.346) 1.655 48.822 ( 0.524 0.302 20.073) 20.082 49.032 ( -2.082 -1.202 11.090) 11.348 49.378 ( -16.402 -9.470 14.281) 23.720 49.571 ( -17.065 -9.852 15.614) 25.141 51.028 ( 13.494 7.791 20.766) 25.962 51.235 ( -8.171 -4.718 -7.231) 11.887 57.109 ( -1.323 -0.764 -7.746) 7.896 57.117 ( 2.524 1.457 -1.723) 3.385 57.680 ( 4.734 2.733 -2.152) 5.875 57.720 ( 2.103 1.214 -3.272) 4.075 57.955 ( 4.314 2.491 -3.993) 6.384 58.108 ( 1.983 1.145 -3.152) 3.895 ======================= Grid point 95 (30/85) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -9.677 -5.587 -18.551) 21.656 2.163 ( -16.064 -9.274 -3.238) 18.829 2.571 ( 6.656 3.843 7.432) 10.692 2.634 ( 19.462 11.236 7.377) 23.652 3.114 ( -16.413 -9.476 -3.530) 19.278 3.425 ( 5.748 3.319 8.639) 10.895 4.763 ( -7.012 -4.048 -12.010) 14.485 4.820 ( -10.589 -6.114 4.623) 13.072 5.190 ( -5.531 -3.193 9.850) 11.739 5.530 ( 3.734 2.156 10.030) 10.917 5.762 ( -2.073 -1.197 -0.979) 2.586 5.803 ( -3.140 -1.813 1.682) 3.997 6.225 ( -4.410 -2.546 1.520) 5.314 6.303 ( 5.520 3.187 7.344) 9.724 7.168 ( -4.717 -2.724 1.032) 5.544 7.252 ( -4.675 -2.699 0.054) 5.398 8.236 ( 10.665 6.157 7.999) 14.685 8.337 ( -4.860 -2.806 4.538) 7.217 9.622 ( -12.912 -7.455 -25.207) 29.286 10.003 ( 0.827 0.477 -21.192) 21.214 10.275 ( 18.397 10.622 3.932) 21.604 10.642 ( 17.566 10.142 3.770) 20.631 12.006 ( 1.737 1.003 -2.410) 3.135 12.127 ( 0.827 0.478 1.348) 1.652 12.392 ( 10.792 6.231 -0.710) 12.481 12.512 ( -2.230 -1.288 -5.048) 5.667 12.597 ( -2.394 -1.382 3.275) 4.286 12.774 ( -1.425 -0.823 4.518) 4.808 13.743 ( 3.430 1.980 -4.441) 5.951 14.330 ( -0.856 -0.494 6.867) 6.938 14.505 ( 3.116 1.799 -3.931) 5.329 14.614 ( 1.482 0.855 -0.112) 1.714 14.909 ( -3.531 -2.039 3.563) 5.414 15.071 ( -4.477 -2.585 5.877) 7.827 16.612 ( 1.145 0.661 -5.532) 5.688 16.682 ( -0.559 -0.323 -3.751) 3.806 21.198 ( 1.532 0.885 1.358) 2.230 21.210 ( -4.145 -2.393 -0.296) 4.795 21.785 ( -1.605 -0.927 -0.854) 2.040 21.893 ( 1.243 0.718 3.511) 3.793 21.924 ( 1.739 1.004 0.586) 2.092 21.957 ( -3.043 -1.757 0.573) 3.560 22.487 ( -0.859 -0.496 -1.314) 1.646 22.506 ( -2.481 -1.432 -1.240) 3.122 22.637 ( 2.463 1.422 -0.012) 2.845 22.655 ( 1.842 1.063 -0.034) 2.127 22.987 ( -3.624 -2.093 -1.043) 4.313 23.049 ( 0.946 0.546 2.047) 2.320 23.486 ( 2.980 1.720 -1.191) 3.641 23.549 ( 0.851 0.491 0.270) 1.019 23.627 ( -1.876 -1.083 -0.014) 2.166 23.658 ( -1.138 -0.657 1.675) 2.129 24.026 ( -1.061 -0.613 -0.963) 1.558 24.053 ( 1.614 0.932 0.796) 2.027 49.019 ( -10.321 -5.959 6.051) 13.365 49.037 ( 0.321 0.185 16.794) 16.799 49.221 ( -17.206 -9.934 14.637) 24.677 49.378 ( -19.281 -11.132 9.068) 24.039 50.842 ( -19.977 -11.533 -14.829) 27.423 51.367 ( 4.903 2.831 8.856) 10.511 57.079 ( 4.511 2.604 -2.682) 5.859 57.219 ( 6.593 3.806 4.175) 8.682 57.720 ( 1.540 0.889 -3.250) 3.704 57.736 ( 3.462 1.999 -1.705) 4.346 57.991 ( 4.298 2.482 -3.862) 6.289 58.094 ( 0.371 0.214 -3.208) 3.236 ======================= Grid point 96 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -13.370 -7.719 -15.107) 21.600 1.777 ( -20.527 -11.851 -4.463) 24.119 2.587 ( -23.098 -13.336 2.540) 26.792 2.960 ( 8.273 4.776 6.906) 11.787 3.044 ( 18.939 10.935 1.062) 21.895 3.601 ( 5.491 3.170 5.149) 8.168 4.529 ( -3.336 -1.926 -12.271) 12.861 4.671 ( -9.524 -5.499 2.596) 11.300 5.174 ( -8.754 -5.054 8.469) 13.187 5.669 ( 0.383 0.221 4.582) 4.604 5.674 ( -0.509 -0.294 -5.969) 5.998 5.812 ( 0.553 0.319 7.232) 7.260 6.192 ( -3.745 -2.162 3.290) 5.434 6.448 ( 3.477 2.007 3.495) 5.323 7.089 ( -7.088 -4.092 5.606) 9.920 7.123 ( -6.658 -3.844 -1.950) 7.931 8.353 ( -1.317 -0.760 6.550) 6.724 8.559 ( 12.167 7.025 6.980) 15.687 9.128 ( -12.907 -7.452 -16.908) 22.539 9.607 ( -7.762 -4.481 -23.163) 24.837 10.816 ( 25.908 14.958 5.517) 30.420 11.008 ( 18.617 10.748 1.067) 21.523 12.018 ( 1.712 0.988 -1.209) 2.317 12.157 ( 0.651 0.376 1.100) 1.332 12.368 ( -3.084 -1.780 -4.087) 5.420 12.527 ( -7.961 -4.596 4.198) 10.106 12.673 ( 15.233 8.795 0.358) 17.593 12.855 ( 3.196 1.845 4.020) 5.457 13.757 ( 2.571 1.484 -2.689) 4.005 14.390 ( 0.039 0.022 4.874) 4.874 14.533 ( 2.848 1.644 -0.852) 3.397 14.623 ( -0.061 -0.035 -0.687) 0.691 14.884 ( -2.805 -1.620 2.345) 3.999 15.032 ( -5.116 -2.954 3.044) 6.646 16.567 ( 0.966 0.558 -6.026) 6.128 16.651 ( 0.591 0.341 -1.998) 2.111 21.129 ( -4.130 -2.384 -0.486) 4.793 21.239 ( 1.731 0.999 0.708) 2.120 21.747 ( -1.604 -0.926 -0.514) 1.922 21.892 ( -3.841 -2.217 0.756) 4.499 21.955 ( 1.449 0.836 -0.465) 1.736 21.966 ( 1.469 0.848 3.494) 3.884 22.426 ( -2.895 -1.672 -2.202) 4.003 22.428 ( -3.651 -2.108 -1.366) 4.432 22.702 ( 3.573 2.063 0.485) 4.154 22.712 ( 3.417 1.973 0.263) 3.954 22.909 ( -3.753 -2.167 -0.571) 4.371 23.072 ( -0.057 -0.033 0.728) 0.731 23.524 ( 2.511 1.450 -1.330) 3.190 23.568 ( 0.340 0.197 1.289) 1.348 23.590 ( -1.812 -1.046 -0.311) 2.115 23.659 ( -0.636 -0.367 1.400) 1.581 23.996 ( -1.251 -0.722 -0.739) 1.623 24.091 ( 1.650 0.953 0.581) 1.992 48.801 ( -19.128 -11.043 5.486) 22.758 49.047 ( -21.902 -12.645 2.742) 25.438 49.090 ( -14.260 -8.233 12.589) 20.728 49.218 ( -1.524 -0.880 14.059) 14.169 50.255 ( -22.909 -13.227 -15.921) 30.875 51.419 ( -2.191 -1.265 -1.828) 3.121 57.196 ( 8.206 4.738 1.115) 9.540 57.416 ( 7.272 4.198 6.303) 10.499 57.701 ( 0.867 0.500 -3.696) 3.829 57.764 ( 2.029 1.171 -2.226) 3.232 58.029 ( 3.952 2.282 -2.650) 5.277 58.056 ( -0.670 -0.387 -2.860) 2.963 ======================= Grid point 97 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -15.848 -9.150 1.322) 18.348 1.332 ( -22.827 -13.179 -3.501) 26.589 2.069 ( -32.518 -18.774 1.632) 37.584 3.269 ( 11.564 6.676 10.033) 16.702 3.319 ( 13.464 7.773 -5.279) 16.418 3.756 ( 7.113 4.107 1.943) 8.440 4.377 ( -0.156 -0.090 -8.978) 8.980 4.552 ( -6.679 -3.856 3.716) 8.560 5.041 ( -11.015 -6.360 1.720) 12.835 5.662 ( -5.305 -3.063 5.014) 7.916 5.679 ( 5.328 3.076 -1.105) 6.251 5.953 ( 5.067 2.926 5.430) 7.982 6.114 ( -5.260 -3.037 -3.881) 7.207 6.515 ( 1.405 0.811 1.561) 2.252 6.997 ( -6.448 -3.723 0.936) 7.504 7.039 ( -7.669 -4.428 8.874) 12.536 8.391 ( -2.203 -1.272 4.285) 4.983 8.568 ( -6.286 -3.629 -13.655) 15.464 9.030 ( 5.707 3.295 10.060) 12.026 9.280 ( -2.388 -1.379 -17.193) 17.413 11.286 ( 20.974 12.110 1.029) 24.241 11.330 ( 16.987 9.808 -2.089) 19.726 12.037 ( 1.281 0.740 -0.585) 1.591 12.155 ( -1.194 -0.689 -1.181) 1.815 12.293 ( -1.349 -0.779 -1.638) 2.260 12.425 ( -8.178 -4.722 4.246) 10.354 12.949 ( 2.702 1.560 2.648) 4.092 12.965 ( 16.119 9.306 -0.653) 18.624 13.780 ( 1.911 1.104 -0.268) 2.223 14.418 ( -0.468 -0.270 -1.589) 1.678 14.586 ( 1.878 1.085 2.373) 3.215 14.603 ( -0.191 -0.111 -1.722) 1.736 14.858 ( -1.465 -0.846 -0.035) 1.693 14.958 ( -4.622 -2.668 0.070) 5.337 16.530 ( 0.166 0.096 -0.416) 0.457 16.653 ( 1.007 0.581 -0.511) 1.270 21.054 ( -3.556 -2.053 -0.159) 4.110 21.276 ( 1.694 0.978 0.393) 1.995 21.716 ( -1.343 -0.775 -0.158) 1.559 21.826 ( -4.076 -2.353 0.714) 4.760 21.968 ( 1.356 0.783 -1.522) 2.183 22.033 ( 1.621 0.936 3.190) 3.699 22.345 ( -3.188 -1.840 -1.956) 4.168 22.355 ( -3.366 -1.943 0.065) 3.887 22.765 ( 2.896 1.672 -0.287) 3.357 22.773 ( 3.197 1.846 -0.352) 3.709 22.843 ( -3.099 -1.789 0.561) 3.622 23.069 ( -0.670 -0.387 0.258) 0.815 23.525 ( -0.751 -0.434 -1.661) 1.874 23.578 ( 1.189 0.686 -0.131) 1.379 23.589 ( 0.053 0.031 1.673) 1.674 23.662 ( -0.505 -0.292 0.672) 0.890 23.966 ( -1.244 -0.718 -0.420) 1.497 24.124 ( 1.465 0.846 0.146) 1.697 48.484 ( -20.277 -11.707 3.533) 23.679 48.614 ( -24.430 -14.105 -1.374) 28.242 48.978 ( -13.969 -8.065 14.851) 21.926 49.340 ( -1.900 -1.097 12.615) 12.804 49.736 ( -17.082 -9.862 -9.317) 21.814 51.306 ( -3.800 -2.194 -5.963) 7.403 57.363 ( 7.257 4.190 2.037) 8.624 57.544 ( 1.489 0.859 -1.487) 2.273 57.719 ( 3.970 2.292 1.870) 4.951 57.764 ( 1.508 0.870 -3.334) 3.761 58.012 ( -0.740 -0.427 -2.382) 2.531 58.079 ( 3.546 2.047 -0.792) 4.170 ======================= Grid point 98 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -15.618 -9.017 22.370) 28.734 0.897 ( -22.772 -13.147 2.714) 26.434 1.500 ( -34.837 -20.113 10.048) 41.463 3.444 ( 9.183 5.302 -7.679) 13.092 3.547 ( 8.126 4.691 5.393) 10.822 3.864 ( 5.730 3.308 -5.933) 8.887 4.338 ( 3.181 1.837 -1.966) 4.166 4.533 ( -2.643 -1.526 8.655) 9.177 4.864 ( -8.441 -4.873 0.539) 9.762 5.605 ( -7.353 -4.245 5.791) 10.277 5.818 ( 7.997 4.617 1.381) 9.336 5.896 ( -7.221 -4.169 -13.592) 15.945 6.083 ( 4.599 2.655 1.245) 5.455 6.557 ( 0.681 0.393 3.286) 3.378 6.884 ( -6.504 -3.755 -1.691) 7.698 6.985 ( -8.708 -5.028 7.696) 12.663 8.355 ( -3.464 -2.000 -0.354) 4.015 8.365 ( -4.283 -2.473 -0.371) 4.960 9.152 ( 3.360 1.940 -8.503) 9.347 9.243 ( 4.426 2.555 7.573) 9.136 11.570 ( 13.678 7.897 -5.999) 16.895 11.589 ( 14.109 8.146 -4.777) 16.978 12.048 ( 0.529 0.305 -0.507) 0.794 12.108 ( -0.826 -0.477 -2.055) 2.266 12.266 ( -1.262 -0.729 0.014) 1.457 12.329 ( -6.808 -3.931 3.325) 8.536 13.007 ( 1.240 0.716 1.052) 1.777 13.209 ( 13.153 7.594 -6.084) 16.361 13.824 ( 1.414 0.816 2.841) 3.277 14.219 ( -9.437 -5.448 -24.477) 26.793 14.594 ( 0.147 0.085 -0.181) 0.248 14.640 ( -0.425 -0.246 4.016) 4.046 14.833 ( 0.189 0.109 -1.658) 1.672 14.879 ( -2.417 -1.395 -1.784) 3.312 16.659 ( 6.511 3.759 18.493) 19.963 16.671 ( 0.857 0.495 0.423) 1.076 21.002 ( -2.402 -1.387 0.887) 2.912 21.310 ( 1.419 0.819 0.490) 1.710 21.696 ( -0.893 -0.515 0.236) 1.057 21.764 ( -3.519 -2.032 0.719) 4.126 21.976 ( 1.733 1.001 -1.994) 2.825 22.086 ( 0.909 0.525 1.118) 1.533 22.273 ( -2.733 -1.578 -0.771) 3.248 22.307 ( -2.886 -1.666 1.529) 3.666 22.779 ( -1.302 -0.751 0.510) 1.587 22.818 ( 2.467 1.424 -1.009) 3.022 22.831 ( 1.029 0.594 0.126) 1.195 23.061 ( -0.663 -0.383 0.655) 1.007 23.488 ( -0.970 -0.560 -1.633) 1.981 23.594 ( -1.246 -0.720 -0.245) 1.460 23.606 ( 1.535 0.886 0.196) 1.783 23.653 ( -0.494 -0.285 -0.266) 0.630 23.949 ( -0.506 -0.292 0.865) 1.044 24.146 ( 1.070 0.618 -0.454) 1.317 48.174 ( -16.211 -9.359 3.715) 19.083 48.204 ( -18.534 -10.701 1.889) 21.485 48.955 ( -9.387 -5.419 22.786) 25.232 49.410 ( -7.340 -4.238 5.977) 10.371 49.461 ( -5.177 -2.989 5.439) 8.082 51.179 ( -3.300 -1.905 -6.017) 7.122 57.486 ( 3.578 2.066 1.618) 4.437 57.498 ( 0.049 0.028 -5.920) 5.921 57.758 ( 2.581 1.490 -3.775) 4.810 57.814 ( 1.938 1.119 1.931) 2.956 57.983 ( 0.217 0.126 -1.798) 1.815 58.131 ( 2.417 1.395 -0.186) 2.797 ======================= Grid point 101 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.000 0.239 19.029) 19.031 1.485 ( -0.000 11.490 19.976) 23.045 2.392 ( -0.000 8.913 31.924) 33.145 3.034 ( 0.000 -2.325 -29.301) 29.393 3.314 ( -0.000 -11.388 -5.255) 12.542 3.576 ( 0.000 5.184 -1.877) 5.513 4.996 ( -0.000 -21.324 16.111) 26.726 5.182 ( -0.000 0.036 17.471) 17.471 5.188 ( -0.000 -2.631 15.252) 15.478 5.506 ( -0.000 2.491 3.054) 3.941 5.681 ( 0.000 8.971 2.820) 9.404 5.803 ( -0.000 -5.064 -5.140) 7.215 6.035 ( 0.000 5.645 -1.143) 5.759 6.660 ( -0.000 -3.846 -1.051) 3.987 6.850 ( -0.000 -1.260 4.515) 4.688 7.092 ( 0.000 16.308 9.182) 18.715 8.219 ( -0.000 -3.902 -3.096) 4.981 8.496 ( 0.000 8.241 3.144) 8.821 9.057 ( -0.000 -6.385 -3.773) 7.416 9.354 ( 0.000 7.826 -2.578) 8.239 11.017 ( 0.000 -8.173 -24.545) 25.870 11.077 ( 0.000 -4.869 -23.843) 24.335 11.987 ( 0.000 0.924 -2.290) 2.470 12.022 ( 0.000 -2.319 -5.487) 5.957 12.169 ( -0.000 -1.398 -1.276) 1.893 12.328 ( 0.000 8.445 2.482) 8.802 12.873 ( 0.000 -2.083 -5.198) 5.600 12.966 ( 0.000 2.610 -2.308) 3.485 13.597 ( 0.000 0.500 -0.014) 0.500 14.244 ( -0.000 -3.036 12.576) 12.938 14.462 ( 0.000 0.456 -5.587) 5.606 14.506 ( 0.000 4.146 -5.285) 6.717 14.973 ( -0.000 -3.406 5.873) 6.790 15.044 ( -0.000 1.413 7.888) 8.014 16.675 ( 0.000 -0.372 -2.320) 2.350 16.969 ( 0.000 -4.242 -10.544) 11.366 21.097 ( -0.000 -0.018 3.643) 3.643 21.375 ( -0.000 -1.375 0.977) 1.686 21.735 ( -0.000 -0.291 1.915) 1.937 21.775 ( 0.000 3.213 2.552) 4.103 21.943 ( -0.000 -2.845 -0.839) 2.966 22.034 ( 0.000 2.758 -0.569) 2.816 22.347 ( -0.000 -0.079 3.294) 3.295 22.381 ( -0.000 1.871 3.049) 3.577 22.757 ( 0.000 -1.705 -3.141) 3.574 22.765 ( 0.000 -1.135 -3.039) 3.244 22.894 ( -0.000 1.398 4.493) 4.705 23.119 ( -0.000 -0.146 1.578) 1.585 23.399 ( 0.000 -1.257 -1.842) 2.230 23.469 ( 0.000 3.493 -1.063) 3.651 23.677 ( -0.000 -1.579 1.339) 2.071 23.701 ( -0.000 0.278 1.499) 1.525 23.978 ( -0.000 0.251 0.388) 0.462 24.096 ( 0.000 -0.238 -2.023) 2.037 48.670 ( -0.000 -1.690 25.107) 25.164 48.751 ( -0.000 -0.812 24.789) 24.803 49.684 ( -0.000 2.166 14.370) 14.532 50.103 ( -0.000 -0.511 28.814) 28.819 50.147 ( -0.000 1.596 20.760) 20.821 51.085 ( 0.000 9.292 6.164) 11.151 57.202 ( 0.000 -3.918 -6.881) 7.918 57.309 ( 0.000 -0.338 -8.949) 8.956 57.556 ( 0.000 -3.509 -6.992) 7.823 57.683 ( 0.000 3.360 -5.821) 6.721 57.873 ( 0.000 2.277 -3.527) 4.198 58.044 ( 0.000 3.770 -3.987) 5.487 ======================= Grid point 102 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 11.535 -0.750 13.446) 17.731 1.812 ( 3.871 11.125 16.875) 20.580 2.666 ( -2.647 -2.675 -28.279) 28.528 2.757 ( -5.839 7.320 22.323) 24.208 3.157 ( 0.436 -9.277 -2.005) 9.502 3.583 ( -2.865 3.380 -1.044) 4.552 4.933 ( 1.087 -29.607 6.705) 30.376 5.261 ( -4.041 -6.491 13.691) 15.681 5.372 ( -1.152 1.146 12.214) 12.322 5.534 ( -5.343 4.349 4.255) 8.098 5.733 ( -7.587 6.235 5.086) 11.060 5.792 ( 3.848 4.995 -1.011) 6.386 6.087 ( -1.902 4.621 5.798) 7.654 6.546 ( -8.154 -2.113 -2.065) 8.673 6.957 ( 9.695 -4.235 2.684) 10.914 7.323 ( -3.221 17.658 11.205) 21.160 8.116 ( -1.927 -6.106 -4.470) 7.809 8.747 ( 14.562 8.590 2.283) 17.060 8.865 ( -8.079 0.147 -2.379) 8.424 9.526 ( 17.767 7.107 -4.742) 19.714 10.629 ( -5.290 -9.799 -23.512) 26.016 10.734 ( -3.156 -7.507 -24.964) 26.259 11.960 ( 1.613 -1.791 -4.531) 5.133 11.997 ( 3.631 1.578 -1.950) 4.413 12.140 ( -0.191 -1.032 -1.281) 1.656 12.444 ( 1.259 9.628 3.235) 10.235 12.770 ( -3.567 -1.695 -5.256) 6.574 12.954 ( -1.709 1.063 -1.487) 2.502 13.612 ( 2.724 -0.382 -1.087) 2.958 14.315 ( -1.203 -3.472 6.368) 7.352 14.426 ( 2.176 0.664 -4.809) 5.320 14.520 ( 0.953 3.942 1.190) 4.226 14.995 ( -1.225 -3.841 4.806) 6.273 15.134 ( -1.494 1.527 7.533) 7.830 16.639 ( 0.128 -0.422 -3.691) 3.717 16.817 ( -1.363 -3.032 -8.887) 9.488 21.136 ( 0.209 -0.186 3.149) 3.161 21.360 ( -1.600 -1.920 0.540) 2.558 21.763 ( 1.441 -0.856 1.828) 2.480 21.835 ( -0.131 4.200 2.939) 5.128 21.909 ( -0.986 -1.839 -0.274) 2.104 22.046 ( -0.848 1.945 -0.005) 2.122 22.393 ( 1.571 0.590 2.690) 3.171 22.438 ( 1.527 1.547 2.520) 3.328 22.699 ( -0.821 -2.308 -3.305) 4.114 22.712 ( -0.984 -1.310 -3.211) 3.605 22.960 ( 0.658 1.516 4.249) 4.559 23.121 ( -1.498 -0.519 0.771) 1.763 23.381 ( 1.695 -0.872 -1.615) 2.499 23.492 ( 0.670 3.320 -0.623) 3.444 23.674 ( -0.321 -2.018 0.992) 2.272 23.711 ( -0.988 0.169 1.211) 1.572 23.990 ( 0.510 0.571 0.719) 1.051 24.071 ( -0.258 -0.172 -1.731) 1.759 48.884 ( -3.999 -3.304 24.566) 25.108 49.022 ( 2.666 -5.074 20.778) 21.554 49.796 ( -11.288 2.294 16.481) 20.107 50.143 ( -21.516 -0.678 20.110) 29.459 50.633 ( 14.476 7.566 27.180) 31.711 51.263 ( 4.361 5.304 3.588) 7.747 57.094 ( -0.998 -2.262 -5.341) 5.886 57.166 ( -1.289 -4.475 -11.177) 12.108 57.498 ( 5.506 -2.416 -4.793) 7.689 57.665 ( 2.264 3.499 -5.288) 6.733 57.868 ( 1.421 3.115 -3.269) 4.734 58.053 ( 1.367 5.533 -3.386) 6.629 ======================= Grid point 103 (36/85) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 9.207 -6.309 0.106) 11.162 2.107 ( 5.483 11.814 5.213) 14.029 2.391 ( 3.434 -0.621 -8.341) 9.041 2.708 ( -14.565 -5.678 2.587) 15.845 3.276 ( 4.819 4.232 11.365) 13.050 3.505 ( -9.618 0.839 -0.998) 9.706 4.724 ( 1.532 -31.228 -2.330) 31.353 5.295 ( -2.743 -5.583 9.999) 11.776 5.404 ( -16.727 7.555 5.796) 19.248 5.520 ( -5.361 3.440 6.574) 9.154 5.787 ( -1.219 1.297 3.752) 4.153 5.862 ( -0.451 5.207 4.511) 6.904 6.204 ( 1.120 3.971 9.571) 10.423 6.389 ( -7.944 -2.035 -2.024) 8.447 7.055 ( 8.452 -8.290 -0.069) 11.839 7.507 ( -8.570 16.785 9.361) 21.043 8.033 ( 3.268 -4.533 -0.427) 5.605 8.597 ( -13.473 -0.595 0.481) 13.495 9.287 ( 31.493 13.623 1.613) 34.351 9.703 ( 11.176 2.860 -16.659) 20.263 10.305 ( 2.168 -5.309 -11.163) 12.550 10.332 ( -5.018 -8.497 -23.188) 25.201 11.936 ( 2.918 -1.243 -3.215) 4.516 12.070 ( 6.087 1.287 -0.073) 6.222 12.133 ( 2.925 0.736 -1.690) 3.457 12.573 ( 1.049 8.482 3.273) 9.152 12.643 ( -5.024 -0.034 -5.279) 7.288 12.906 ( -4.637 -0.731 1.130) 4.828 13.638 ( 3.781 -0.349 -1.895) 4.244 14.330 ( 0.331 -1.658 2.164) 2.746 14.420 ( 2.737 1.066 -3.468) 4.544 14.590 ( 0.434 0.937 4.767) 4.877 14.986 ( -2.025 -3.732 3.159) 5.292 15.187 ( -3.419 1.173 5.880) 6.902 16.593 ( 0.360 -0.274 -4.445) 4.468 16.699 ( -0.622 -1.552 -6.336) 6.553 21.170 ( 0.534 -0.141 2.327) 2.391 21.314 ( -3.035 -2.189 0.059) 3.743 21.791 ( 1.437 -2.037 0.902) 2.651 21.874 ( -1.161 0.251 1.617) 2.006 21.913 ( -0.026 3.729 2.191) 4.325 22.038 ( -2.386 0.858 0.576) 2.600 22.451 ( 2.415 0.804 1.223) 2.824 22.498 ( 2.070 1.024 1.680) 2.856 22.631 ( -1.044 -2.016 -2.948) 3.721 22.652 ( -1.111 -1.251 -2.754) 3.222 23.024 ( 0.768 1.211 3.269) 3.570 23.084 ( -3.261 -1.100 -0.166) 3.445 23.397 ( 3.176 -0.184 -0.972) 3.326 23.523 ( 0.853 2.524 -0.081) 2.665 23.659 ( -0.683 -2.178 0.490) 2.334 23.705 ( -1.648 0.220 0.926) 1.903 24.016 ( 1.019 0.776 0.859) 1.542 24.048 ( -0.516 -0.188 -1.197) 1.317 49.062 ( -2.533 -5.721 21.617) 22.504 49.177 ( -1.974 -7.832 15.277) 17.280 49.788 ( -19.616 1.693 17.976) 26.661 50.007 ( -25.217 -1.838 15.292) 29.549 51.131 ( 8.775 4.046 14.411) 17.351 51.278 ( -6.920 1.907 1.733) 7.384 56.995 ( 1.714 -4.587 -8.647) 9.938 57.075 ( 3.142 1.046 -1.035) 3.470 57.538 ( 8.947 -2.773 -3.545) 10.015 57.676 ( 2.660 3.710 -4.458) 6.381 57.885 ( 2.490 3.084 -3.011) 4.978 58.076 ( 0.621 5.398 -3.250) 6.332 ======================= Grid point 104 (37/85) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -8.223 -6.518 -12.758) 16.519 2.201 ( -3.323 -8.770 -2.646) 9.744 2.571 ( 9.029 6.934 4.154) 12.119 2.622 ( 5.324 4.935 10.267) 12.574 3.278 ( -17.314 -2.532 -0.908) 17.522 3.496 ( 2.093 5.581 7.403) 9.504 4.468 ( 2.635 -27.254 -5.776) 27.984 5.207 ( -22.991 8.553 1.314) 24.566 5.337 ( -3.663 -2.755 10.142) 11.129 5.572 ( 1.562 -3.771 3.714) 5.519 5.795 ( -1.786 0.891 1.221) 2.340 5.891 ( -7.064 4.283 1.878) 8.472 6.294 ( -3.985 -0.786 2.651) 4.850 6.361 ( 2.214 3.561 7.562) 8.647 7.048 ( 4.476 -12.762 -0.922) 13.555 7.520 ( -15.426 13.546 3.266) 20.788 8.164 ( 11.669 -2.821 6.583) 13.692 8.512 ( -7.285 6.375 7.092) 12.001 9.421 ( -5.815 -7.300 -22.015) 23.912 9.705 ( 8.725 1.138 -19.827) 21.692 10.088 ( 17.368 4.228 -3.208) 18.161 10.454 ( 20.059 4.906 -1.336) 20.693 11.946 ( 3.440 -0.740 -1.727) 3.920 12.121 ( 1.774 -0.902 1.135) 2.291 12.255 ( 12.653 4.298 -1.363) 13.432 12.511 ( -5.284 1.656 -5.577) 7.859 12.666 ( -1.621 2.804 3.577) 4.826 12.865 ( -4.086 1.721 3.319) 5.539 13.668 ( 3.724 0.013 -1.489) 4.011 14.354 ( 1.801 -0.791 1.252) 2.332 14.445 ( 3.239 1.184 -0.874) 3.558 14.635 ( -0.493 -0.729 2.791) 2.927 14.953 ( -2.289 -3.413 1.322) 4.317 15.186 ( -5.294 0.703 3.233) 6.243 16.549 ( 0.392 -0.091 -3.900) 3.921 16.636 ( 0.494 -0.362 -3.662) 3.713 21.201 ( 0.985 0.022 1.501) 1.795 21.246 ( -4.038 -2.139 -0.277) 4.578 21.783 ( -0.499 -2.100 0.059) 2.159 21.891 ( 1.103 -0.740 1.655) 2.122 21.966 ( -0.895 3.466 2.117) 4.159 22.011 ( -3.517 0.871 1.259) 3.836 22.468 ( -0.227 -1.709 -1.547) 2.316 22.518 ( -1.494 -0.319 -0.668) 1.667 22.610 ( 2.270 1.027 -0.454) 2.533 22.625 ( 2.135 -0.179 -0.972) 2.353 23.019 ( -4.133 -1.393 -0.279) 4.370 23.068 ( 0.322 0.613 1.864) 1.988 23.436 ( 3.578 0.266 -0.611) 3.639 23.552 ( 0.712 1.572 0.599) 1.827 23.632 ( -1.084 -1.893 -0.199) 2.191 23.694 ( -1.648 0.325 0.851) 1.884 24.026 ( -0.875 -0.352 -0.711) 1.181 24.048 ( 1.374 0.795 0.724) 1.745 49.174 ( -6.482 -10.886 12.999) 18.152 49.200 ( -3.438 -9.515 15.255) 18.305 49.704 ( -23.849 3.059 18.364) 30.255 49.766 ( -27.954 -3.499 10.675) 30.127 50.894 ( -21.107 -8.536 -11.669) 25.584 51.448 ( 0.044 4.358 7.457) 8.637 56.965 ( 7.879 -2.009 -3.335) 8.788 57.197 ( 8.063 3.622 4.547) 9.940 57.599 ( 8.611 -2.768 -3.829) 9.822 57.686 ( 1.772 2.956 -4.237) 5.461 57.917 ( 3.370 2.643 -2.472) 4.945 58.077 ( -0.950 4.379 -3.181) 5.495 ======================= Grid point 105 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -12.645 -5.571 0.792) 13.840 1.909 ( -17.395 -11.635 -2.670) 21.097 2.827 ( -2.464 -0.472 -0.266) 2.523 2.855 ( 8.286 3.572 5.642) 10.642 3.031 ( -3.728 5.172 4.579) 7.850 3.623 ( 2.494 4.814 2.701) 6.057 4.261 ( 4.873 -21.648 -4.984) 22.743 4.972 ( -20.793 6.288 1.432) 21.770 5.354 ( -8.817 -3.627 7.161) 11.923 5.526 ( 3.080 -5.873 -5.721) 8.759 5.801 ( -4.206 6.323 2.340) 7.947 5.879 ( -0.185 0.550 3.965) 4.007 6.260 ( -4.974 -0.481 -0.328) 5.008 6.471 ( 1.507 1.585 3.859) 4.436 6.992 ( 2.300 -13.682 2.627) 14.120 7.437 ( -16.203 10.421 4.703) 19.831 8.338 ( 8.884 -5.783 4.116) 11.372 8.621 ( -2.426 9.218 4.731) 10.641 9.088 ( -7.632 -2.030 -5.541) 9.647 9.372 ( -3.927 -6.215 -24.464) 25.545 10.563 ( 30.501 10.642 0.886) 32.316 10.776 ( 22.584 6.567 -3.519) 23.781 11.975 ( 3.137 -0.358 -0.602) 3.214 12.152 ( 1.754 -0.515 0.672) 1.948 12.375 ( -3.237 2.256 -4.252) 5.801 12.506 ( 14.559 5.273 -1.537) 15.560 12.642 ( -6.426 -4.065 4.712) 8.945 12.905 ( -0.304 5.169 2.693) 5.836 13.709 ( 3.275 0.399 -0.037) 3.299 14.386 ( 2.232 -0.480 -0.425) 2.322 14.508 ( 3.539 0.740 2.250) 4.258 14.626 ( -1.132 -0.819 -0.849) 1.635 14.901 ( -1.950 -3.013 -0.780) 3.673 15.126 ( -6.571 0.372 0.031) 6.582 16.524 ( 0.251 0.078 -0.747) 0.792 16.621 ( 1.239 0.400 -1.355) 1.879 21.168 ( -4.449 -1.809 -0.292) 4.812 21.231 ( 1.444 0.160 0.872) 1.694 21.757 ( -1.337 -1.461 0.196) 1.990 21.916 ( 1.836 -1.203 0.144) 2.200 21.948 ( -4.260 -1.031 1.194) 4.543 22.027 ( -1.073 3.690 2.376) 4.518 22.408 ( -1.850 -3.049 -1.706) 3.953 22.465 ( -3.682 0.004 -0.999) 3.816 22.663 ( 3.988 1.008 -0.246) 4.121 22.672 ( 3.964 1.451 -0.440) 4.244 22.950 ( -4.301 -1.400 0.338) 4.536 23.084 ( -0.332 0.002 0.735) 0.807 23.480 ( 3.159 0.490 -0.500) 3.235 23.581 ( 0.488 0.698 1.339) 1.587 23.595 ( -1.362 -1.238 -0.947) 2.070 23.685 ( -1.217 0.224 0.617) 1.383 24.002 ( -1.278 -0.472 -0.351) 1.407 24.080 ( 1.590 0.639 0.369) 1.753 49.027 ( -16.027 -12.289 7.615) 21.584 49.223 ( -5.860 -14.799 13.471) 20.852 49.420 ( -29.657 -7.010 6.880) 31.241 49.629 ( -19.659 5.482 16.541) 26.270 50.342 ( -26.493 -9.043 -11.606) 30.304 51.442 ( -5.779 1.020 -2.598) 6.418 57.086 ( 11.828 -0.632 1.059) 11.892 57.417 ( 8.370 4.932 6.309) 11.584 57.636 ( 6.212 -1.259 -4.850) 7.981 57.674 ( 1.326 0.995 -4.409) 4.710 57.966 ( 4.135 2.175 -1.194) 4.822 58.051 ( -2.123 3.269 -2.851) 4.829 ======================= Grid point 106 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -15.108 -5.067 18.689) 24.560 1.540 ( -21.997 -7.769 0.119) 23.329 2.441 ( -31.461 -8.717 2.631) 32.752 3.093 ( 15.748 4.657 -6.767) 17.762 3.276 ( 10.262 3.919 9.511) 14.530 3.706 ( 4.495 5.037 -4.335) 8.023 4.172 ( 7.282 -13.592 0.405) 15.425 4.792 ( -15.061 4.301 3.740) 16.104 5.157 ( -12.036 -4.611 -3.848) 13.451 5.564 ( 6.533 -0.851 1.684) 6.800 5.810 ( -4.293 3.016 2.952) 6.020 5.946 ( 2.438 -1.814 2.397) 3.871 6.118 ( -6.567 -0.710 -8.080) 10.436 6.528 ( 1.341 -0.384 2.966) 3.277 6.956 ( -0.303 -11.109 5.070) 12.215 7.328 ( -14.741 2.937 3.011) 15.330 8.419 ( 2.349 -4.458 2.882) 5.805 8.556 ( -8.031 3.142 -2.993) 9.128 9.043 ( 0.446 -3.518 -13.779) 14.228 9.183 ( 0.364 9.920 8.985) 13.389 11.015 ( 26.869 7.048 -4.569) 28.151 11.079 ( 21.483 6.846 -5.963) 23.323 12.006 ( 2.259 -0.201 -0.208) 2.277 12.158 ( -0.632 0.603 -1.578) 1.804 12.302 ( -2.681 1.925 -2.559) 4.176 12.546 ( -7.996 -6.010 4.864) 11.123 12.767 ( 17.350 5.335 -2.376) 18.306 12.966 ( 0.931 2.584 1.191) 2.993 13.767 ( 2.797 0.671 2.290) 3.677 14.351 ( -1.134 -0.878 -9.703) 9.808 14.580 ( 1.574 -0.756 0.825) 1.931 14.616 ( 1.101 0.919 4.111) 4.354 14.838 ( -1.131 -2.217 -2.730) 3.695 15.017 ( -6.706 0.134 -3.154) 7.412 16.564 ( 1.750 0.727 6.204) 6.487 16.639 ( 1.398 0.723 0.188) 1.585 21.095 ( -4.153 -1.223 0.197) 4.334 21.263 ( 1.810 0.156 0.559) 1.901 21.731 ( -1.501 -0.835 0.410) 1.766 21.884 ( -4.663 -1.561 0.953) 5.009 21.929 ( 1.510 -0.638 -1.039) 1.941 22.065 ( -0.026 1.569 1.780) 2.373 22.346 ( -2.335 -2.061 -0.494) 3.153 22.407 ( -4.021 0.272 0.183) 4.035 22.720 ( 4.034 0.879 -0.923) 4.230 22.731 ( 3.736 1.455 -0.889) 4.106 22.891 ( -3.935 -1.246 1.265) 4.317 23.080 ( -0.671 -0.334 0.441) 0.869 23.508 ( 0.768 0.333 -1.144) 1.417 23.566 ( 0.339 -0.220 -0.604) 0.727 23.605 ( 0.170 -0.091 1.556) 1.568 23.673 ( -1.018 -0.176 -0.248) 1.062 23.978 ( -1.399 -0.307 0.156) 1.441 24.108 ( 1.591 0.398 -0.163) 1.648 48.728 ( -22.092 -12.000 4.163) 25.483 48.926 ( -30.753 -7.000 1.275) 31.565 49.211 ( -8.065 -17.410 16.733) 25.459 49.606 ( -9.363 -1.460 9.570) 13.468 49.867 ( -23.825 -2.144 0.273) 23.923 51.318 ( -6.760 2.308 -3.859) 8.119 57.259 ( 11.305 -1.702 1.296) 11.506 57.553 ( -1.191 6.504 -2.012) 6.911 57.645 ( 6.075 -3.644 -6.628) 9.701 57.702 ( 5.412 2.712 3.008) 6.760 58.011 ( -1.911 2.413 -2.639) 4.054 58.039 ( 3.743 1.982 0.711) 4.294 ======================= Grid point 107 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -22.504 -0.578 6.886) 23.541 1.258 ( -17.398 -3.770 25.060) 30.739 1.990 ( -32.626 -8.966 11.766) 35.823 3.220 ( 12.944 0.771 -7.961) 15.216 3.508 ( 9.043 -0.245 3.660) 9.759 3.701 ( 5.372 1.795 -13.268) 14.426 4.270 ( 7.837 0.054 7.378) 10.764 4.726 ( -7.092 1.743 7.625) 10.558 4.957 ( -8.601 -2.208 0.261) 8.884 5.675 ( 4.329 -1.787 4.488) 6.487 5.783 ( -5.913 -2.474 -4.716) 7.958 5.819 ( -4.007 -3.148 -4.734) 6.955 6.055 ( 2.731 1.232 -2.113) 3.667 6.580 ( 2.183 -2.232 3.778) 4.901 6.888 ( -5.273 -5.147 0.007) 7.368 7.158 ( -11.174 -6.832 3.734) 13.619 8.353 ( -2.879 -4.423 -3.686) 6.437 8.550 ( -8.373 12.464 8.145) 17.083 8.954 ( 8.474 -3.372 -8.100) 12.198 9.382 ( -2.568 10.465 10.337) 14.932 11.281 ( 20.260 3.008 -11.713) 23.595 11.333 ( 18.602 5.104 -8.920) 21.252 12.026 ( 1.319 0.090 -0.575) 1.442 12.121 ( -2.323 2.997 -2.769) 4.695 12.267 ( -1.030 -0.477 -1.324) 1.744 12.438 ( -8.162 -5.410 4.176) 10.646 12.975 ( 10.014 0.908 -5.278) 11.356 12.996 ( 5.949 0.690 -1.647) 6.212 13.850 ( 2.451 0.719 5.436) 6.007 14.096 ( -10.291 -0.390 -19.157) 21.750 14.598 ( -0.023 0.210 0.853) 0.879 14.702 ( -0.431 -0.722 6.412) 6.467 14.792 ( 1.401 -1.041 -2.071) 2.708 14.894 ( -4.277 0.252 -3.928) 5.812 16.668 ( 1.080 0.657 0.742) 1.466 16.742 ( 8.205 1.985 11.180) 14.009 21.045 ( -3.099 -0.461 1.270) 3.381 21.296 ( 2.014 -0.005 0.617) 2.107 21.714 ( -1.271 -0.117 0.681) 1.447 21.818 ( -4.655 -1.575 1.175) 5.053 21.934 ( 1.921 0.359 -1.843) 2.686 22.081 ( 0.319 -1.363 0.197) 1.413 22.305 ( -2.815 0.186 1.064) 3.015 22.367 ( -3.637 0.273 1.624) 3.992 22.765 ( 3.268 0.687 -1.254) 3.567 22.774 ( 2.901 1.034 -1.419) 3.391 22.852 ( -2.941 -1.040 1.916) 3.661 23.076 ( -0.521 -0.376 0.835) 1.053 23.483 ( -1.209 0.697 -2.116) 2.535 23.588 ( 1.402 -0.130 0.128) 1.413 23.604 ( -1.092 -0.821 -0.034) 1.367 23.656 ( -0.288 -0.401 0.204) 0.534 23.967 ( -0.845 0.173 0.813) 1.185 24.125 ( 1.352 0.135 -0.793) 1.573 48.379 ( -19.824 -9.823 4.267) 22.532 48.528 ( -24.515 -1.547 5.610) 25.196 49.193 ( -3.531 -16.596 19.689) 25.992 49.487 ( -4.876 -14.211 2.786) 15.281 49.739 ( -16.263 8.180 16.527) 24.588 51.234 ( -6.763 5.787 -0.881) 8.944 57.358 ( 6.708 -1.890 -4.115) 8.093 57.528 ( -1.891 3.853 -3.937) 5.824 57.642 ( 5.955 0.545 -5.552) 8.160 57.809 ( 2.313 0.322 1.544) 2.800 57.980 ( -1.370 2.728 -1.887) 3.589 58.111 ( 2.521 1.154 1.215) 3.027 ======================= Grid point 111 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 -5.791 8.029) 9.899 2.058 ( -0.000 10.109 16.412) 19.276 2.368 ( 0.000 -1.928 -23.288) 23.368 2.985 ( -0.000 -13.717 -5.421) 14.749 3.151 ( -0.000 12.261 20.094) 23.540 3.636 ( 0.000 4.901 -0.473) 4.924 4.702 ( -0.000 -33.912 -0.053) 33.912 5.346 ( -0.000 -6.777 8.216) 10.651 5.548 ( -0.000 2.311 12.653) 12.862 5.587 ( -0.000 -1.854 2.819) 3.374 5.810 ( 0.000 5.637 1.673) 5.880 6.007 ( -0.000 8.724 15.439) 17.734 6.207 ( 0.000 6.644 4.193) 7.857 6.590 ( 0.000 -1.277 -1.406) 1.900 6.841 ( -0.000 -4.634 -1.800) 4.971 7.646 ( 0.000 21.749 12.631) 25.151 8.009 ( -0.000 -8.316 -5.712) 10.089 8.717 ( 0.000 9.698 2.671) 10.059 8.961 ( 0.000 1.458 -0.821) 1.673 9.338 ( 0.000 6.089 -9.246) 11.071 10.325 ( 0.000 -10.944 -20.954) 23.640 10.408 ( 0.000 -9.677 -25.023) 26.829 11.887 ( 0.000 -2.125 -3.267) 3.897 11.960 ( 0.000 1.447 -1.780) 2.294 12.114 ( -0.000 -1.534 -1.267) 1.990 12.561 ( 0.000 11.698 3.116) 12.106 12.725 ( 0.000 -1.328 -5.001) 5.174 12.971 ( 0.000 3.840 -1.521) 4.130 13.576 ( -0.000 -3.064 0.453) 3.097 14.327 ( -0.000 -2.747 0.641) 2.821 14.376 ( 0.000 1.223 -2.924) 3.169 14.585 ( -0.000 0.960 6.162) 6.237 15.015 ( -0.000 -4.200 3.183) 5.270 15.236 ( -0.000 2.505 5.730) 6.254 16.589 ( 0.000 -0.538 -4.200) 4.235 16.709 ( 0.000 -2.143 -7.651) 7.946 21.164 ( -0.000 -0.730 2.701) 2.798 21.358 ( -0.000 -2.169 0.161) 2.175 21.764 ( -0.000 -1.399 1.501) 2.052 21.905 ( -0.000 -1.158 0.570) 1.291 21.910 ( 0.000 5.110 3.381) 6.127 22.072 ( 0.000 2.506 0.191) 2.513 22.412 ( -0.000 0.188 2.057) 2.065 22.462 ( -0.000 1.117 1.868) 2.177 22.648 ( 0.000 -2.749 -3.269) 4.271 22.672 ( 0.000 -1.370 -3.189) 3.471 23.013 ( -0.000 1.493 3.653) 3.946 23.139 ( -0.000 -0.279 0.589) 0.652 23.342 ( -0.000 -1.310 -1.138) 1.735 23.510 ( 0.000 3.280 -0.270) 3.292 23.668 ( -0.000 -2.207 0.566) 2.279 23.729 ( -0.000 0.047 0.772) 0.773 24.001 ( -0.000 0.721 0.909) 1.160 24.055 ( 0.000 0.060 -1.334) 1.335 49.130 ( -0.000 -7.516 21.023) 22.326 49.173 ( -0.000 -9.413 20.333) 22.407 50.106 ( -0.000 6.204 16.258) 17.401 50.514 ( -0.000 -4.139 12.886) 13.535 50.870 ( -0.000 12.046 25.964) 28.622 51.355 ( -0.000 6.711 7.937) 10.393 56.980 ( 0.000 -8.097 -12.724) 15.082 57.038 ( 0.000 -2.256 -3.239) 3.947 57.378 ( 0.000 -3.139 -4.283) 5.310 57.623 ( 0.000 4.053 -4.132) 5.788 57.857 ( 0.000 4.339 -2.862) 5.198 58.067 ( 0.000 7.646 -2.551) 8.060 ======================= Grid point 112 (42/85) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.466 -9.565 -1.726) 11.673 2.138 ( -1.906 0.288 -7.208) 7.461 2.360 ( 6.200 7.885 12.320) 15.887 2.781 ( -6.606 -9.601 -3.391) 12.138 3.437 ( 0.903 9.936 12.130) 15.706 3.625 ( -6.020 3.603 -0.883) 7.072 4.421 ( 0.821 -32.982 -2.819) 33.113 5.367 ( -1.092 -4.192 5.610) 7.088 5.578 ( -1.286 -3.779 3.026) 5.009 5.678 ( -1.719 2.916 6.659) 7.470 5.861 ( -5.249 3.892 2.369) 6.951 6.141 ( -11.529 8.691 11.403) 18.398 6.320 ( 1.562 4.519 7.751) 9.107 6.472 ( -9.295 -1.382 -2.136) 9.637 6.857 ( 9.126 -7.125 -2.266) 11.798 7.862 ( -6.128 12.876 -2.869) 14.546 7.947 ( 1.691 1.094 10.804) 10.990 8.802 ( -10.341 2.809 0.873) 10.752 9.020 ( 18.071 10.374 0.399) 20.841 9.398 ( 11.758 4.860 -12.817) 18.060 10.034 ( -1.748 -10.635 -22.866) 25.279 10.078 ( 5.057 -7.509 -12.060) 15.080 11.858 ( 2.130 -2.017 -1.663) 3.372 11.989 ( 5.034 1.745 -1.103) 5.440 12.095 ( 0.730 -1.210 -0.768) 1.609 12.641 ( -3.227 1.555 -4.870) 6.045 12.683 ( -0.087 8.958 2.370) 9.267 12.975 ( -2.574 4.040 0.006) 4.790 13.575 ( 2.344 -3.427 1.177) 4.316 14.317 ( 0.720 -2.182 0.712) 2.406 14.375 ( 1.505 0.939 -0.785) 1.940 14.643 ( -0.131 -1.017 3.967) 4.097 15.001 ( -1.002 -3.677 1.160) 3.984 15.292 ( -2.115 2.484 2.985) 4.422 16.542 ( 0.113 -0.336 -3.353) 3.372 16.626 ( 0.186 -0.917 -4.994) 5.081 21.184 ( 0.258 -0.920 1.973) 2.193 21.329 ( -1.690 -2.086 -0.197) 2.693 21.770 ( 0.706 -2.230 1.049) 2.563 21.902 ( -0.934 -0.169 1.132) 1.477 21.985 ( -0.446 4.905 3.040) 5.788 22.085 ( -1.514 2.109 0.752) 2.703 22.438 ( 1.322 -0.198 0.523) 1.436 22.495 ( 1.403 0.526 0.995) 1.798 22.590 ( -0.126 -2.369 -2.558) 3.489 22.624 ( -0.690 -0.901 -2.673) 2.904 23.059 ( 0.197 1.059 2.501) 2.723 23.121 ( -2.734 -0.509 0.093) 2.783 23.344 ( 2.603 -0.981 -0.240) 2.793 23.535 ( 0.387 2.438 0.250) 2.481 23.652 ( -0.371 -2.060 0.004) 2.093 23.730 ( -0.772 0.097 0.351) 0.854 24.021 ( 0.509 0.712 0.864) 1.230 24.043 ( -0.289 0.126 -0.757) 0.820 49.253 ( -2.135 -10.631 18.163) 21.154 49.294 ( -0.933 -11.773 15.978) 19.868 50.238 ( -11.978 4.888 14.891) 19.725 50.453 ( -17.983 -3.623 9.847) 20.820 51.197 ( 0.686 4.476 6.301) 7.759 51.493 ( -4.274 8.263 12.787) 15.813 56.803 ( 3.305 -8.042 -9.181) 12.644 57.023 ( 3.736 -0.575 -0.208) 3.786 57.358 ( 6.238 -3.489 -3.362) 7.898 57.632 ( 1.593 4.238 -2.721) 5.282 57.866 ( 0.614 4.419 -2.543) 5.135 58.100 ( -0.507 7.401 -2.308) 7.769 ======================= Grid point 113 (43/85) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.603 -7.038 0.667) 7.095 2.104 ( 3.090 -6.846 -0.628) 7.537 2.583 ( -0.907 2.485 0.303) 2.663 2.700 ( 5.234 3.917 9.834) 11.808 3.494 ( -14.126 2.454 -0.962) 14.370 3.601 ( -0.209 6.216 4.385) 7.610 4.162 ( 2.286 -28.869 -2.687) 29.084 5.379 ( -0.678 -1.658 1.819) 2.553 5.541 ( -1.476 -5.805 -0.117) 5.991 5.637 ( -19.768 3.743 4.753) 20.673 5.821 ( 0.268 1.299 0.649) 1.477 6.114 ( -14.235 4.648 3.972) 15.492 6.356 ( -2.552 -0.366 -0.291) 2.595 6.449 ( 0.231 3.404 4.847) 5.927 6.883 ( 5.753 -9.825 1.333) 11.463 7.822 ( -5.587 10.436 -3.313) 12.293 8.102 ( 0.306 -0.652 9.499) 9.526 8.758 ( -6.715 8.331 6.982) 12.777 9.217 ( 3.346 -0.498 -9.847) 10.412 9.406 ( 4.421 1.732 -15.562) 16.271 9.810 ( 15.925 -0.401 -7.991) 17.822 10.159 ( 20.381 0.965 -5.044) 21.018 11.875 ( 3.599 -1.503 -0.130) 3.903 12.097 ( 2.956 -0.713 1.452) 3.370 12.105 ( 9.070 2.076 -2.051) 9.528 12.543 ( -5.018 3.563 -5.498) 8.253 12.753 ( -1.805 3.215 2.855) 4.664 12.973 ( -3.625 4.866 1.456) 6.240 13.610 ( 3.536 -2.250 1.761) 4.546 14.327 ( 1.699 -2.232 0.971) 2.968 14.415 ( 2.782 0.296 1.764) 3.308 14.650 ( -0.547 -1.265 -0.036) 1.379 14.957 ( -1.792 -2.776 -0.918) 3.429 15.280 ( -4.233 1.906 -0.437) 4.663 16.518 ( 0.191 0.035 -1.007) 1.026 16.591 ( 0.871 0.177 -2.174) 2.348 21.201 ( 0.706 -0.860 1.233) 1.661 21.277 ( -3.129 -1.683 -0.384) 3.574 21.770 ( 0.412 -2.358 0.865) 2.546 21.900 ( -0.771 -0.174 0.734) 1.079 22.029 ( -1.709 2.179 1.672) 3.235 22.087 ( -2.627 2.835 1.791) 4.259 22.436 ( 0.088 -1.948 -1.427) 2.416 22.521 ( 0.554 0.193 0.019) 0.587 22.574 ( 2.494 -0.425 -1.225) 2.811 22.590 ( 0.295 0.294 -1.304) 1.369 23.068 ( -4.069 -0.783 0.162) 4.147 23.087 ( -0.001 0.378 1.178) 1.237 23.384 ( 3.611 -0.449 0.366) 3.657 23.564 ( 0.598 1.406 0.864) 1.756 23.626 ( -0.768 -1.583 -0.690) 1.889 23.720 ( -1.122 0.242 0.038) 1.149 24.031 ( -0.732 0.013 -0.238) 0.770 24.044 ( 0.948 0.496 0.545) 1.201 49.299 ( -4.635 -13.740 12.758) 19.314 49.320 ( -2.944 -13.288 14.405) 19.817 50.181 ( -20.616 -1.100 8.631) 22.376 50.242 ( -22.709 -0.847 9.382) 24.585 51.040 ( -20.352 -2.300 -5.178) 21.126 51.604 ( -5.922 5.842 4.646) 9.528 56.776 ( 9.552 -5.076 -1.950) 10.991 57.147 ( 10.017 1.957 4.045) 10.979 57.394 ( 8.532 -3.977 -4.008) 10.231 57.660 ( 1.044 4.250 -2.117) 4.861 57.886 ( 1.430 3.596 -2.037) 4.373 58.111 ( -1.859 6.088 -2.365) 6.791 ======================= Grid point 114 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -7.260 -3.610 16.292) 18.198 2.004 ( -9.003 -7.878 0.866) 11.995 2.637 ( 10.478 3.649 -5.071) 12.199 2.951 ( 6.902 0.729 9.313) 11.615 3.261 ( -18.717 2.064 -0.698) 18.843 3.652 ( -0.269 5.349 -3.228) 6.253 3.998 ( 5.019 -22.154 2.832) 22.891 5.263 ( -11.508 0.317 -8.519) 14.322 5.430 ( -11.490 -3.387 -0.923) 12.014 5.503 ( -3.499 -1.088 6.997) 7.899 5.870 ( 3.054 0.215 0.796) 3.164 5.983 ( -10.979 1.658 2.759) 11.442 6.288 ( -4.392 0.221 -6.442) 7.800 6.495 ( 0.935 -0.326 0.566) 1.140 6.918 ( 3.022 -8.700 7.831) 12.089 7.750 ( -13.909 8.194 -1.926) 16.258 8.192 ( 8.981 -7.053 3.922) 12.074 8.782 ( -7.236 3.304 -1.246) 8.052 9.137 ( -3.747 -0.855 -14.779) 15.271 9.232 ( -4.457 9.759 10.063) 14.710 10.182 ( 31.747 5.900 -3.705) 32.503 10.438 ( 24.395 4.624 -6.119) 25.572 11.923 ( 3.744 -0.656 0.919) 3.911 12.118 ( 2.317 -0.870 -0.400) 2.507 12.288 ( 13.428 2.558 -0.261) 13.672 12.447 ( -4.606 5.331 -5.322) 8.829 12.745 ( -5.034 -3.221 4.588) 7.535 12.983 ( -2.299 4.442 0.405) 5.018 13.674 ( 3.781 -0.865 2.897) 4.841 14.331 ( 1.645 -2.103 -2.751) 3.834 14.491 ( 3.711 -0.864 3.719) 5.324 14.624 ( -0.758 -0.049 -0.506) 0.913 14.890 ( -2.267 -1.631 -2.805) 3.958 15.198 ( -5.849 1.090 -3.900) 7.114 16.532 ( 0.724 0.510 2.489) 2.642 16.600 ( 1.331 0.957 0.001) 1.640 21.212 ( -3.880 -1.039 -0.256) 4.025 21.219 ( 1.130 -0.789 0.618) 1.510 21.764 ( -0.488 -1.703 0.987) 2.028 21.893 ( 0.096 -0.729 -0.577) 0.935 22.011 ( -3.631 -0.538 1.291) 3.891 22.096 ( -2.094 2.220 1.191) 3.276 22.398 ( -1.330 -1.529 -0.440) 2.074 22.504 ( -2.563 0.513 -0.313) 2.633 22.604 ( 4.016 0.413 -1.241) 4.223 22.623 ( 3.702 0.989 -0.609) 3.880 23.008 ( -4.364 -0.841 0.794) 4.515 23.093 ( -0.240 -0.272 0.225) 0.427 23.437 ( 3.465 -0.003 0.626) 3.521 23.587 ( -0.441 -0.548 -0.833) 1.091 23.596 ( -0.081 0.117 0.754) 0.767 23.705 ( -1.172 0.155 -0.346) 1.232 24.016 ( -1.222 -0.059 0.152) 1.233 24.066 ( 1.315 0.178 0.098) 1.330 49.201 ( -10.541 -14.592 9.278) 20.252 49.317 ( -3.639 -15.648 13.058) 20.703 49.839 ( -29.504 -6.653 1.427) 30.278 50.014 ( -19.956 -4.873 0.905) 20.562 50.636 ( -29.111 1.114 1.259) 29.159 51.529 ( -8.083 2.557 -3.606) 9.213 56.914 ( 12.683 -2.386 2.703) 13.186 57.377 ( 12.763 0.302 2.179) 12.952 57.435 ( 7.554 -1.059 -1.791) 7.835 57.672 ( -0.977 4.684 -2.290) 5.304 57.925 ( 3.221 2.352 -0.526) 4.023 58.094 ( -2.983 4.737 -2.374) 6.081 ======================= Grid point 115 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -12.204 -2.199 26.570) 29.321 1.804 ( -17.469 -1.330 4.369) 18.056 2.687 ( -1.289 -3.001 -7.440) 8.125 2.945 ( -7.823 0.520 1.723) 8.027 3.217 ( 9.448 -3.690 2.493) 10.444 3.593 ( 1.623 1.361 -12.318) 12.499 4.061 ( 7.068 -6.288 12.936) 16.026 4.990 ( -9.769 0.144 -11.438) 15.043 5.238 ( -12.784 -1.369 1.885) 12.995 5.559 ( 0.926 -0.472 5.784) 5.877 5.893 ( 1.999 -5.634 0.101) 5.979 5.913 ( -4.758 -0.332 0.568) 4.803 6.110 ( -7.249 1.646 -8.998) 11.671 6.505 ( 3.170 -3.876 -0.243) 5.013 6.982 ( -1.290 -5.212 9.903) 11.265 7.523 ( -15.285 -2.144 -4.534) 16.086 8.327 ( 9.501 -6.255 3.237) 11.827 8.601 ( -2.275 -2.900 -12.895) 13.411 9.020 ( -10.728 11.242 5.192) 16.384 9.469 ( -3.536 16.257 16.586) 23.492 10.573 ( 30.374 2.079 -9.692) 31.951 10.738 ( 23.934 5.866 -7.964) 25.898 11.977 ( 2.453 0.298 1.043) 2.683 12.131 ( 1.855 -0.431 -1.809) 2.626 12.346 ( -4.552 5.242 -3.756) 7.893 12.525 ( 14.246 1.460 -1.312) 14.380 12.681 ( -6.247 -4.984 5.197) 9.533 12.976 ( -0.743 -0.095 -1.361) 1.553 13.765 ( 3.680 0.150 4.919) 6.145 14.243 ( -1.719 -0.373 -11.849) 11.979 14.567 ( 2.571 -1.089 3.350) 4.361 14.660 ( 1.578 -0.187 6.198) 6.399 14.813 ( -2.175 -0.419 -3.782) 4.382 15.058 ( -6.548 0.342 -6.428) 9.182 16.607 ( 2.763 1.011 5.580) 6.308 16.635 ( 1.272 1.325 1.034) 2.108 21.149 ( -4.150 -0.338 0.207) 4.169 21.240 ( 1.904 -0.786 0.341) 2.088 21.753 ( -1.311 -0.732 1.072) 1.845 21.881 ( 0.986 -0.834 -1.642) 2.089 21.961 ( -4.611 -1.285 1.403) 4.988 22.086 ( -0.901 -0.892 -0.060) 1.270 22.376 ( -2.199 0.675 1.409) 2.697 22.469 ( -3.417 0.913 0.596) 3.586 22.652 ( 4.462 0.675 -1.658) 4.807 22.675 ( 4.053 0.771 -1.042) 4.255 22.956 ( -4.174 -0.743 1.614) 4.537 23.086 ( -0.194 -0.716 -0.041) 0.743 23.487 ( 2.142 0.531 0.334) 2.232 23.552 ( -0.450 -0.182 -1.748) 1.814 23.618 ( 0.267 -0.425 1.693) 1.766 23.680 ( -1.299 -0.310 -0.961) 1.645 24.002 ( -1.435 0.148 0.549) 1.544 24.084 ( 1.505 -0.128 -0.425) 1.569 48.979 ( -19.279 -12.303 6.129) 23.677 49.247 ( -12.992 -11.989 7.829) 19.335 49.371 ( -21.972 -12.496 2.346) 25.385 49.660 ( -11.214 -14.979 -6.489) 19.805 50.378 ( -27.196 7.924 14.840) 31.979 51.408 ( -5.945 3.154 -3.133) 7.424 57.097 ( 11.149 -1.368 1.493) 11.332 57.419 ( 8.529 -4.879 -8.057) 12.707 57.608 ( 1.752 6.570 1.637) 6.994 57.683 ( 3.522 2.915 1.153) 4.715 58.001 ( 3.944 1.539 1.691) 4.559 58.060 ( -2.746 4.025 -1.992) 5.264 ======================= Grid point 116 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -19.709 6.069 7.120) 21.817 1.761 ( -17.346 -1.610 25.422) 30.818 2.426 ( -20.775 -5.918 4.967) 22.165 2.982 ( 9.202 0.527 -3.068) 9.714 3.293 ( 11.627 -9.056 -10.378) 18.025 3.517 ( 5.218 0.250 -7.304) 8.980 4.317 ( 6.642 5.761 14.105) 16.621 4.798 ( -1.112 0.552 -7.578) 7.679 5.127 ( -10.750 -1.359 8.983) 14.075 5.624 ( 3.422 -1.745 0.317) 3.855 5.758 ( -6.647 -6.384 -5.891) 10.938 5.874 ( -1.170 -6.003 4.576) 7.639 6.002 ( -2.357 3.677 -4.239) 6.087 6.514 ( 4.679 -6.221 -1.237) 7.882 6.992 ( -7.718 0.025 6.006) 9.779 7.277 ( -10.081 -7.246 1.643) 12.523 8.283 ( -2.110 -5.293 -6.920) 8.964 8.578 ( 14.232 -4.639 -5.015) 15.786 9.069 ( -15.753 18.331 12.326) 27.131 9.695 ( -7.579 15.776 13.586) 22.157 10.822 ( 25.335 -0.724 -15.355) 29.634 10.978 ( 20.696 3.379 -12.068) 24.195 12.012 ( 0.866 1.483 0.023) 1.718 12.124 ( 0.572 1.100 -2.649) 2.924 12.284 ( -4.155 3.678 -3.049) 6.331 12.552 ( -7.329 -6.045 4.357) 10.451 12.748 ( 12.714 0.593 -2.657) 13.002 12.931 ( 0.834 -5.189 -2.671) 5.895 13.888 ( 3.529 0.560 7.738) 8.523 14.037 ( -6.588 2.814 -14.801) 16.444 14.617 ( -0.248 0.439 1.814) 1.883 14.740 ( 1.561 -0.479 -2.257) 2.786 14.777 ( -0.187 -1.534 7.587) 7.743 14.903 ( -4.535 0.114 -5.744) 7.319 16.671 ( 0.793 1.219 0.766) 1.644 16.740 ( 6.170 0.825 4.975) 7.969 21.104 ( -3.377 0.344 1.135) 3.579 21.267 ( 2.481 -0.944 0.358) 2.678 21.743 ( -1.433 0.338 1.115) 1.847 21.868 ( -0.597 -0.916 -0.826) 1.370 21.907 ( -2.441 -0.809 0.397) 2.602 22.060 ( 0.012 -3.080 -0.465) 3.115 22.375 ( -2.909 2.264 2.324) 4.358 22.441 ( -3.528 1.080 1.597) 4.020 22.696 ( 4.199 0.497 -2.060) 4.704 22.718 ( 3.584 0.286 -1.568) 3.923 22.919 ( -3.716 -0.486 2.466) 4.486 23.080 ( 0.242 -0.945 0.149) 0.987 23.485 ( -1.327 1.554 -2.086) 2.920 23.564 ( 2.430 0.006 0.396) 2.462 23.616 ( -1.788 -1.152 0.055) 2.128 23.656 ( 0.008 -0.798 0.319) 0.860 23.993 ( -1.241 0.477 0.795) 1.549 24.095 ( 1.438 -0.337 -0.954) 1.758 48.647 ( -21.918 -7.864 4.097) 23.643 48.895 ( -22.945 -1.185 2.025) 23.065 49.258 ( -0.272 -17.255 11.195) 20.570 49.425 ( -0.856 -20.424 5.145) 21.079 50.311 ( -23.110 10.200 20.937) 32.810 51.353 ( -3.330 4.018 -1.204) 5.355 57.204 ( 6.982 -0.589 -3.497) 7.831 57.391 ( 6.352 -3.993 -9.047) 11.753 57.629 ( -1.695 7.633 -2.145) 8.108 57.790 ( 3.204 0.007 1.498) 3.537 58.015 ( -2.545 4.001 -1.828) 5.082 58.106 ( 2.895 0.973 2.522) 3.961 ======================= Grid point 121 (47/85) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.000 -10.101 3.557) 10.709 2.073 ( -0.000 -3.973 -1.828) 4.373 2.540 ( -0.000 9.488 12.130) 15.400 2.717 ( -0.000 -6.471 -2.876) 7.082 3.606 ( 0.000 6.566 5.665) 8.672 3.691 ( 0.000 4.752 -1.099) 4.877 4.132 ( -0.000 -30.877 -2.017) 30.943 5.386 ( -0.000 -3.263 1.897) 3.774 5.560 ( -0.000 -5.922 0.835) 5.980 5.751 ( 0.000 3.555 1.852) 4.009 5.998 ( -0.000 2.772 5.368) 6.041 6.337 ( 0.000 2.391 1.288) 2.716 6.441 ( -0.000 4.423 6.719) 8.044 6.576 ( -0.000 -0.398 3.684) 3.706 6.669 ( -0.000 -5.403 -3.305) 6.334 7.776 ( 0.000 -3.858 -5.515) 6.731 8.254 ( 0.000 17.608 10.092) 20.295 8.825 ( 0.000 2.737 -2.404) 3.643 9.081 ( 0.000 9.160 5.578) 10.725 9.261 ( 0.000 11.236 -4.439) 12.081 9.702 ( 0.000 -12.212 -21.752) 24.946 9.845 ( 0.000 -6.851 -9.773) 11.935 11.818 ( -0.000 -2.033 0.212) 2.044 11.954 ( 0.000 1.506 -0.875) 1.741 12.076 ( -0.000 -0.987 -0.072) 0.990 12.623 ( 0.000 2.217 -4.726) 5.220 12.772 ( 0.000 7.075 1.412) 7.214 13.034 ( 0.000 6.950 -0.739) 6.989 13.552 ( -0.000 -5.138 3.869) 6.432 14.303 ( -0.000 -3.301 1.638) 3.685 14.374 ( -0.000 0.411 1.433) 1.491 14.657 ( -0.000 -1.405 0.281) 1.432 14.984 ( -0.000 -2.720 -0.875) 2.858 15.341 ( 0.000 2.545 -0.702) 2.640 16.515 ( 0.000 0.012 -1.108) 1.108 16.578 ( 0.000 0.074 -2.522) 2.523 21.192 ( -0.000 -1.352 1.370) 1.925 21.323 ( -0.000 -1.680 -0.405) 1.728 21.759 ( -0.000 -2.304 1.132) 2.568 21.921 ( -0.000 -0.023 0.906) 0.906 22.054 ( 0.000 3.558 2.043) 4.103 22.127 ( 0.000 2.930 1.212) 3.171 22.424 ( -0.000 -1.193 -0.391) 1.255 22.493 ( -0.000 -0.005 0.127) 0.127 22.548 ( 0.000 -1.785 -1.867) 2.583 22.600 ( 0.000 0.003 -1.821) 1.821 23.086 ( -0.000 0.552 1.306) 1.418 23.141 ( 0.000 -0.105 -0.119) 0.159 23.317 ( -0.000 -1.335 0.972) 1.652 23.554 ( 0.000 1.671 0.698) 1.811 23.636 ( -0.000 -1.604 -0.606) 1.715 23.737 ( 0.000 0.085 -0.157) 0.179 24.031 ( -0.000 0.463 0.638) 0.788 24.041 ( 0.000 0.266 -0.232) 0.353 49.351 ( -0.000 -13.582 14.281) 19.708 49.368 ( -0.000 -14.053 14.013) 19.846 50.475 ( -0.000 1.058 8.136) 8.204 50.604 ( -0.000 -5.789 3.989) 7.030 51.307 ( 0.000 4.580 3.016) 5.484 51.723 ( 0.000 7.806 7.420) 10.770 56.633 ( -0.000 -7.267 -3.596) 8.108 56.980 ( -0.000 -1.535 0.625) 1.658 57.266 ( -0.000 -2.337 -1.747) 2.918 57.637 ( 0.000 4.017 -0.776) 4.091 57.872 ( 0.000 4.796 -2.496) 5.406 58.139 ( 0.000 7.012 -2.119) 7.325 ======================= Grid point 122 (48/85) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 5.182 -7.559 13.247) 16.108 2.052 ( -0.240 -3.626 3.842) 5.288 2.623 ( -4.131 -0.348 -1.299) 4.345 2.754 ( 5.168 3.421 6.746) 9.161 3.644 ( -5.569 3.519 -1.670) 6.796 3.681 ( -2.555 4.486 -1.407) 5.351 3.908 ( 1.517 -25.733 1.635) 25.829 5.340 ( -0.823 -3.756 -5.645) 6.830 5.533 ( -0.598 -3.657 3.081) 4.819 5.789 ( 1.818 1.577 -1.053) 2.627 5.943 ( -12.542 -0.250 -0.171) 12.546 6.347 ( -3.341 -1.876 -4.902) 6.222 6.386 ( -10.638 1.541 2.087) 10.950 6.492 ( -3.761 0.626 -0.041) 3.813 6.783 ( 7.745 -4.479 6.991) 11.354 7.750 ( 6.512 0.552 -4.514) 7.942 8.346 ( -11.930 6.053 3.655) 13.869 8.859 ( 2.619 1.646 -1.015) 3.255 9.222 ( -3.541 10.372 2.571) 11.257 9.342 ( -1.804 7.095 1.454) 7.464 9.491 ( 13.742 -0.116 -8.500) 16.159 9.832 ( 16.348 -0.660 -6.596) 17.640 11.832 ( 2.141 -1.503 1.938) 3.255 11.997 ( 5.516 1.542 -0.754) 5.777 12.081 ( 1.010 -0.508 1.033) 1.531 12.574 ( -3.059 4.472 -4.854) 7.274 12.821 ( -0.975 2.744 1.596) 3.321 13.060 ( -2.199 5.611 -1.094) 6.125 13.582 ( 2.280 -4.498 5.408) 7.395 14.293 ( 0.840 -3.906 -0.034) 3.996 14.413 ( 1.607 -0.491 3.521) 3.901 14.639 ( -0.269 -0.525 -1.014) 1.173 14.940 ( -1.049 -1.431 -2.735) 3.260 15.313 ( -2.279 1.937 -4.528) 5.427 16.520 ( 0.226 0.512 1.371) 1.480 16.573 ( 0.555 1.101 -0.076) 1.236 21.195 ( 0.438 -1.479 0.730) 1.706 21.295 ( -1.673 -1.021 -0.483) 2.018 21.758 ( 0.404 -2.132 1.285) 2.522 21.917 ( -1.105 -0.371 0.041) 1.166 22.079 ( -1.316 1.075 0.852) 1.901 22.152 ( -1.331 2.134 0.691) 2.608 22.411 ( 0.181 -1.037 -0.124) 1.060 22.503 ( 1.685 -0.048 -0.274) 1.707 22.529 ( 1.180 -0.358 -1.312) 1.800 22.585 ( -0.496 0.882 -0.914) 1.363 23.095 ( -0.066 -0.196 0.051) 0.213 23.116 ( -2.855 -0.242 0.007) 2.865 23.345 ( 2.647 -1.013 1.828) 3.373 23.577 ( 0.333 0.723 1.166) 1.412 23.613 ( -0.409 -0.859 -1.236) 1.560 23.730 ( -0.532 0.170 -0.576) 0.802 24.040 ( -0.365 0.233 0.224) 0.488 24.041 ( 0.387 0.054 0.199) 0.439 49.359 ( -2.367 -16.157 10.580) 19.457 49.379 ( -1.031 -15.739 11.385) 19.452 50.428 ( -11.564 -4.815 0.677) 12.545 50.511 ( -11.786 -4.477 0.945) 12.643 51.258 ( -12.678 1.747 -0.234) 12.800 51.727 ( -5.319 1.903 -6.304) 8.465 56.642 ( 5.784 -3.110 5.198) 8.376 57.047 ( 8.331 -1.028 2.545) 8.772 57.265 ( 3.758 -0.951 -0.712) 3.941 57.668 ( 0.708 3.314 -0.011) 3.388 57.883 ( 0.240 4.244 -2.287) 4.827 58.156 ( -1.270 5.667 -2.416) 6.290 ======================= Grid point 123 (49/85) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 5.984 -5.355 19.986) 21.539 2.084 ( -4.201 0.530 8.459) 9.460 2.556 ( -2.890 1.852 -2.564) 4.285 2.875 ( 8.457 -7.643 0.748) 11.424 3.490 ( -14.360 2.368 -3.414) 14.949 3.603 ( -1.437 0.394 -12.997) 13.082 3.893 ( 4.918 -11.462 15.874) 20.188 5.162 ( -4.063 -2.450 -15.714) 16.415 5.553 ( -1.177 -2.172 5.500) 6.029 5.724 ( -15.789 -2.343 1.630) 16.045 5.802 ( 1.853 -0.620 -2.724) 3.353 6.124 ( -8.213 -3.615 -7.484) 11.684 6.325 ( -9.317 2.109 1.155) 9.622 6.424 ( 1.592 -3.449 -5.943) 7.054 6.944 ( 4.445 -4.100 12.882) 14.231 7.804 ( 3.902 3.927 -8.501) 10.145 8.178 ( -10.335 -6.831 2.439) 12.626 8.742 ( -6.020 -4.927 -12.964) 15.119 9.271 ( -4.069 11.600 11.249) 16.663 9.544 ( -0.549 15.756 16.077) 22.517 9.746 ( 24.070 5.002 -5.798) 25.259 10.067 ( 23.630 4.941 -6.915) 25.111 11.890 ( 3.301 -0.576 3.061) 4.538 12.065 ( 3.525 0.399 -1.851) 4.001 12.156 ( 8.151 0.875 2.439) 8.553 12.507 ( -4.980 6.556 -4.951) 9.607 12.826 ( -2.931 -1.810 3.443) 4.871 13.033 ( -2.998 1.192 -2.242) 3.929 13.660 ( 3.599 -2.606 6.335) 7.738 14.247 ( 0.639 -2.209 -6.293) 6.700 14.483 ( 2.715 -1.436 4.838) 5.730 14.642 ( 0.148 -0.363 3.114) 3.139 14.874 ( -1.907 -0.024 -4.132) 4.551 15.212 ( -4.213 1.101 -7.585) 8.746 16.559 ( 0.962 0.995 3.168) 3.457 16.604 ( 0.859 1.961 1.466) 2.595 21.198 ( 1.062 -1.505 0.198) 1.853 21.252 ( -2.997 -0.257 -0.386) 3.033 21.765 ( 0.415 -1.644 1.513) 2.272 21.887 ( -1.462 -0.709 -1.218) 2.031 22.062 ( -2.481 -0.658 0.886) 2.715 22.130 ( -1.935 -1.042 -1.124) 2.468 22.418 ( -0.640 1.095 1.742) 2.155 22.516 ( 1.205 -0.313 -1.235) 1.753 22.551 ( 2.606 1.254 -0.354) 2.914 22.585 ( 0.777 1.180 -0.628) 1.546 23.068 ( -3.644 -0.386 0.557) 3.706 23.087 ( -0.062 -0.961 -0.709) 1.196 23.402 ( 3.263 -0.580 1.990) 3.866 23.578 ( -0.905 -0.162 -1.668) 1.905 23.606 ( 0.506 0.026 1.331) 1.424 23.713 ( -0.921 0.104 -0.981) 1.350 24.036 ( -0.959 0.231 0.531) 1.120 24.049 ( 0.939 -0.351 -0.238) 1.031 49.275 ( -4.644 -17.736 8.081) 20.036 49.349 ( -1.143 -17.297 9.632) 19.831 50.118 ( -22.051 -7.535 -5.485) 23.940 50.178 ( -22.357 -9.721 -9.406) 26.131 51.063 ( -19.744 3.814 5.503) 20.849 51.539 ( -3.271 -2.574 -12.512) 13.186 56.817 ( 8.000 0.300 8.737) 11.850 57.172 ( 8.855 -3.349 -2.224) 9.725 57.374 ( 9.197 2.846 4.605) 10.672 57.702 ( -0.106 3.701 -0.090) 3.704 57.903 ( 1.856 2.818 -0.841) 3.478 58.141 ( -2.396 4.413 -2.756) 5.728 ======================= Grid point 124 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 1.947 -5.371 16.772) 17.718 2.104 ( -13.533 5.475 12.993) 19.543 2.526 ( 0.668 1.362 -2.475) 2.903 2.895 ( 11.660 -15.286 -5.302) 19.943 3.253 ( -16.358 0.926 -1.049) 16.418 3.430 ( 1.121 -2.323 -13.573) 13.816 4.142 ( 6.304 1.317 19.561) 20.594 4.875 ( -4.913 1.612 -21.345) 21.962 5.495 ( -14.110 -3.475 6.550) 15.939 5.609 ( -2.651 -3.357 4.050) 5.891 5.782 ( 3.778 -4.209 -3.442) 6.621 5.920 ( -4.458 -3.614 -8.384) 10.159 6.218 ( -10.677 3.217 2.129) 11.352 6.369 ( 5.263 -6.536 -5.245) 9.896 7.107 ( 0.519 -3.520 14.683) 15.108 7.605 ( -11.695 -2.333 -12.845) 17.527 8.173 ( 8.123 -6.908 4.731) 11.666 8.456 ( -6.978 -4.180 -12.903) 15.253 9.468 ( -11.419 19.202 18.570) 29.051 9.866 ( -3.100 18.933 18.466) 26.628 10.029 ( 29.113 -0.109 -12.720) 31.771 10.351 ( 23.973 5.289 -9.769) 26.422 11.970 ( 2.724 0.579 3.225) 4.261 12.077 ( 1.718 0.257 -2.410) 2.971 12.332 ( 11.835 0.682 1.707) 11.977 12.438 ( -5.263 7.387 -4.310) 10.042 12.788 ( -5.664 -4.925 5.240) 9.154 12.949 ( -2.260 -4.195 -3.954) 6.192 13.778 ( 4.246 -0.868 7.765) 8.893 14.136 ( -1.378 1.265 -11.650) 11.799 14.568 ( 2.972 -1.537 5.568) 6.496 14.700 ( 0.997 -1.413 5.066) 5.353 14.807 ( -1.742 0.780 -2.478) 3.128 15.056 ( -5.347 0.391 -9.112) 10.573 16.629 ( 2.392 1.209 3.441) 4.361 16.651 ( 0.601 2.417 1.565) 2.942 21.204 ( -3.608 0.458 -0.020) 3.637 21.206 ( 1.822 -1.589 -0.109) 2.421 21.775 ( -0.233 -0.743 1.805) 1.966 21.847 ( -0.438 -0.659 -2.159) 2.300 22.023 ( -3.634 -1.554 1.224) 4.137 22.073 ( -1.151 -3.310 -1.610) 3.856 22.442 ( -1.730 2.431 2.604) 3.960 22.510 ( -0.204 0.202 -0.713) 0.768 22.593 ( 2.043 1.903 -0.450) 2.828 22.613 ( 3.541 0.473 -1.069) 3.729 23.024 ( -3.749 -0.306 1.381) 4.007 23.069 ( 0.451 -1.611 -1.127) 2.017 23.465 ( 3.060 -0.157 1.873) 3.591 23.542 ( -1.291 0.800 -2.277) 2.737 23.628 ( 0.495 -0.799 1.685) 1.929 23.683 ( -1.379 -0.259 -1.383) 1.970 24.030 ( -1.287 0.426 0.780) 1.564 24.056 ( 1.294 -0.618 -0.635) 1.568 49.147 ( -7.413 -16.782 8.328) 20.148 49.292 ( -1.640 -18.001 8.314) 19.896 49.609 ( -22.751 -13.238 -14.250) 29.931 49.632 ( -24.406 -9.270 -8.564) 27.476 50.940 ( -19.929 6.584 13.490) 24.950 51.372 ( 2.062 -3.735 -10.892) 11.698 57.011 ( 6.183 1.397 5.861) 8.633 57.200 ( 6.314 -2.737 -5.577) 8.858 57.598 ( 9.664 2.496 4.930) 11.132 57.711 ( -2.365 5.044 -1.526) 5.776 57.978 ( 4.879 1.324 2.867) 5.812 58.104 ( -2.825 3.969 -2.975) 5.708 ======================= Grid point 125 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -17.436 7.379 4.995) 19.581 2.193 ( -3.456 -7.727 17.688) 19.609 2.484 ( -6.595 1.027 -2.912) 7.282 2.841 ( 12.576 -12.444 -13.050) 21.984 3.106 ( -9.691 2.624 5.431) 11.415 3.343 ( 7.276 -5.218 -6.381) 10.994 4.470 ( 4.235 7.654 16.316) 18.513 4.660 ( 3.878 4.446 -14.861) 15.989 5.367 ( -11.849 -5.037 8.976) 15.695 5.543 ( -0.115 -10.710 -3.509) 11.271 5.753 ( -4.232 -1.253 -2.720) 5.185 5.804 ( 3.937 -3.339 -0.586) 5.195 6.140 ( -9.523 3.370 3.731) 10.768 6.345 ( 6.693 -7.432 -4.327) 10.898 7.195 ( -7.842 -0.593 8.964) 11.924 7.324 ( -4.706 -6.765 -3.871) 9.105 8.216 ( -4.891 -1.780 -6.276) 8.153 8.305 ( 10.647 -6.637 -0.619) 12.562 9.638 ( -17.612 22.067 17.066) 32.991 10.101 ( -7.842 17.466 9.756) 21.488 10.265 ( 26.422 -2.038 -12.172) 29.162 10.562 ( 21.307 2.194 -14.447) 25.836 12.029 ( -0.113 2.312 1.222) 2.618 12.076 ( 2.368 0.271 -2.281) 3.299 12.372 ( -6.474 7.531 -2.690) 10.289 12.513 ( 10.878 -1.544 0.609) 11.003 12.715 ( -6.744 -5.062 5.012) 9.810 12.832 ( -0.127 -8.161 -4.510) 9.325 13.934 ( 4.449 0.070 9.880) 10.836 13.985 ( -3.732 3.875 -12.081) 13.225 14.650 ( -0.378 0.715 2.486) 2.614 14.693 ( 1.124 -0.061 -2.643) 2.873 14.845 ( 0.753 -2.529 7.935) 8.362 14.889 ( -3.823 -0.242 -7.169) 8.128 16.684 ( -0.064 2.226 0.184) 2.235 16.711 ( 3.866 0.750 1.489) 4.211 21.165 ( -3.292 0.977 0.680) 3.501 21.222 ( 2.659 -1.759 -0.126) 3.191 21.782 ( -1.479 0.796 1.485) 2.242 21.828 ( 1.685 -0.646 -1.726) 2.497 21.967 ( -4.497 -1.707 1.271) 4.975 22.022 ( 0.258 -4.169 -0.935) 4.280 22.462 ( -2.494 2.732 2.398) 4.408 22.501 ( -1.234 0.679 0.370) 1.456 22.629 ( 2.618 1.311 -1.180) 3.157 22.652 ( 3.422 0.013 -1.416) 3.704 22.993 ( -3.374 -0.039 2.195) 4.025 23.053 ( 1.199 -1.990 -1.165) 2.599 23.501 ( -1.646 2.190 -1.355) 3.056 23.532 ( 2.914 -0.202 0.681) 2.999 23.634 ( -1.725 -0.786 0.028) 1.896 23.649 ( 0.208 -1.345 0.170) 1.371 24.025 ( -1.407 0.682 0.871) 1.790 24.061 ( 1.408 -0.701 -0.955) 1.840 48.926 ( -21.154 -7.305 2.841) 22.560 49.140 ( -7.737 -12.411 -3.815) 15.114 49.184 ( -9.501 -11.011 1.948) 14.673 49.327 ( 2.258 -19.838 6.911) 21.129 50.909 ( -18.890 7.797 18.119) 27.311 51.288 ( 6.049 -4.410 -9.089) 11.775 57.120 ( 2.504 1.646 0.929) 3.137 57.194 ( 5.057 -1.317 -6.426) 8.283 57.694 ( -2.753 6.288 -2.041) 7.161 57.752 ( 5.006 0.078 1.689) 5.284 58.062 ( -2.501 4.151 -2.166) 5.309 58.095 ( 3.933 0.455 2.648) 4.763 ======================= Grid point 131 (52/85) ======================= q-point: (-0.44 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 -8.768 14.776) 17.181 2.148 ( -0.000 2.456 13.099) 13.327 2.655 ( -0.000 0.512 1.533) 1.617 2.739 ( -0.000 -6.169 -1.420) 6.330 3.627 ( 0.000 0.441 -13.840) 13.847 3.695 ( 0.000 2.768 -5.005) 5.720 3.819 ( -0.000 -13.674 16.352) 21.316 5.229 ( 0.000 -3.648 -10.261) 10.890 5.562 ( -0.000 -2.204 5.415) 5.846 5.732 ( 0.000 -2.041 -6.519) 6.831 5.981 ( 0.000 -2.263 -3.850) 4.466 6.304 ( 0.000 -3.383 -13.636) 14.050 6.348 ( 0.000 -1.533 -2.403) 2.850 6.675 ( -0.000 1.879 5.235) 5.562 6.733 ( -0.000 -4.504 9.100) 10.154 7.671 ( 0.000 2.437 -2.243) 3.312 8.467 ( 0.000 -2.061 -2.649) 3.356 8.857 ( 0.000 2.641 -0.162) 2.646 9.110 ( 0.000 -7.361 -13.483) 15.361 9.510 ( -0.000 6.905 7.676) 10.324 9.596 ( 0.000 21.332 15.794) 26.542 9.643 ( 0.000 7.919 -2.990) 8.465 11.839 ( -0.000 -1.098 3.881) 4.034 11.966 ( 0.000 1.350 -0.097) 1.353 12.088 ( -0.000 0.172 1.868) 1.876 12.586 ( 0.000 5.672 -4.199) 7.057 12.858 ( 0.000 1.388 0.946) 1.679 13.087 ( 0.000 3.093 -3.362) 4.568 13.602 ( -0.000 -5.592 8.395) 10.087 14.235 ( 0.000 -3.159 -4.411) 5.426 14.443 ( -0.000 -1.242 5.087) 5.237 14.640 ( -0.000 -0.560 2.152) 2.224 14.902 ( 0.000 -0.024 -4.202) 4.202 15.272 ( 0.000 1.516 -8.100) 8.240 16.547 ( -0.000 1.031 2.565) 2.764 16.592 ( 0.000 2.230 1.688) 2.797 21.184 ( -0.000 -1.809 0.165) 1.817 21.296 ( 0.000 -0.247 -0.535) 0.589 21.755 ( -0.000 -1.829 1.452) 2.335 21.918 ( -0.000 -0.853 -0.606) 1.046 22.097 ( -0.000 -0.203 0.044) 0.208 22.161 ( 0.000 -0.862 -1.635) 1.848 22.417 ( -0.000 0.374 1.408) 1.457 22.485 ( 0.000 -0.109 -0.515) 0.526 22.509 ( 0.000 0.970 -0.804) 1.260 22.593 ( 0.000 1.661 -0.097) 1.664 23.085 ( -0.000 -1.038 -1.015) 1.451 23.133 ( 0.000 0.046 -0.528) 0.530 23.345 ( -0.000 -1.322 3.191) 3.454 23.593 ( -0.000 -0.043 1.533) 1.534 23.596 ( 0.000 0.073 -1.702) 1.703 23.726 ( 0.000 0.209 -1.036) 1.057 24.036 ( -0.000 -0.443 -0.208) 0.490 24.050 ( -0.000 0.307 0.541) 0.622 49.345 ( -0.000 -18.190 7.840) 19.808 49.348 ( -0.000 -18.226 7.064) 19.547 50.449 ( -0.000 -6.144 -3.715) 7.180 50.532 ( -0.000 -6.823 -4.158) 7.990 51.335 ( 0.000 -1.170 -2.722) 2.963 51.592 ( 0.000 -4.774 -20.627) 21.172 56.706 ( -0.000 1.219 13.693) 13.747 57.018 ( -0.000 -0.908 4.447) 4.539 57.237 ( 0.000 0.946 0.392) 1.024 57.688 ( 0.000 1.898 0.955) 2.125 57.890 ( 0.000 4.170 -2.388) 4.805 58.175 ( 0.000 4.464 -2.955) 5.353 ======================= Grid point 132 (53/85) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 9.408 -9.434 9.030) 16.095 2.346 ( -4.001 8.138 16.923) 19.199 2.626 ( 3.808 -13.399 -4.862) 14.754 2.682 ( -3.821 -0.846 5.766) 6.969 3.416 ( 0.108 -5.968 -17.960) 18.926 3.605 ( -6.887 2.560 -5.553) 9.210 3.999 ( 3.242 -0.733 19.489) 19.770 5.039 ( -5.165 -1.019 -15.016) 15.912 5.592 ( -0.345 -5.142 -1.271) 5.308 5.643 ( 3.512 -3.728 -1.895) 5.461 5.909 ( -4.129 -0.538 -0.371) 4.180 6.061 ( -6.332 -4.681 -13.599) 15.714 6.279 ( -0.350 -3.638 -6.498) 7.455 6.568 ( -14.167 0.466 4.232) 14.793 6.942 ( 11.009 -4.280 9.270) 15.015 7.698 ( 1.745 3.061 -3.984) 5.318 8.275 ( -10.918 -10.203 -2.036) 15.081 8.736 ( -11.772 0.984 -7.297) 13.885 9.144 ( 23.332 -2.990 -6.248) 24.339 9.635 ( 11.957 1.945 1.487) 12.205 9.863 ( 1.010 20.040 9.443) 22.177 9.961 ( -0.639 22.721 17.450) 28.656 11.895 ( 1.723 -0.513 4.841) 5.164 12.005 ( 3.572 1.275 -0.238) 3.800 12.130 ( 1.913 0.599 3.083) 3.678 12.571 ( -3.171 7.533 -3.730) 8.984 12.864 ( -0.643 -2.130 1.382) 2.619 13.034 ( -2.487 -1.035 -4.224) 5.010 13.679 ( 2.331 -4.722 9.839) 11.160 14.148 ( 0.014 0.045 -8.812) 8.812 14.503 ( 1.379 -1.983 6.039) 6.504 14.680 ( 0.397 -1.968 6.010) 6.336 14.848 ( -0.937 1.278 -4.955) 5.202 15.163 ( -2.094 1.001 -10.406) 10.662 16.590 ( 0.625 1.432 2.620) 3.050 16.640 ( 0.205 3.347 2.297) 4.064 21.172 ( 0.644 -1.999 -0.333) 2.126 21.280 ( -1.561 0.502 -0.523) 1.721 21.761 ( 0.544 -1.524 1.381) 2.127 21.890 ( -1.533 -0.871 -1.106) 2.082 22.074 ( -0.653 -2.971 -1.082) 3.229 22.120 ( -1.288 -1.459 -1.467) 2.437 22.435 ( 1.389 -0.496 -0.111) 1.479 22.484 ( 0.923 -0.112 -0.719) 1.175 22.535 ( 0.804 3.078 1.034) 3.345 22.609 ( -0.694 2.511 0.784) 2.721 23.058 ( 0.206 -1.921 -1.780) 2.627 23.111 ( -2.101 -0.058 -0.237) 2.115 23.387 ( 1.990 -1.189 3.239) 3.983 23.575 ( -0.840 0.956 -1.760) 2.172 23.612 ( 0.525 -0.713 1.589) 1.819 23.710 ( -0.527 0.201 -1.403) 1.512 24.030 ( 0.510 -0.824 -0.562) 1.121 24.056 ( -0.517 0.412 0.779) 1.021 49.232 ( -1.860 -20.637 4.029) 21.109 49.281 ( 1.548 -19.513 4.843) 20.164 50.202 ( -16.038 -11.231 -10.926) 22.422 50.291 ( -16.269 -6.776 -8.970) 19.775 51.200 ( 3.626 -10.231 -16.479) 19.733 51.338 ( -3.383 -0.312 -9.246) 9.851 56.909 ( 1.023 3.545 15.178) 15.620 57.084 ( 2.021 -0.856 3.095) 3.795 57.321 ( 7.815 2.959 3.282) 8.978 57.725 ( 1.101 1.807 1.617) 2.663 57.897 ( 0.600 3.282 -1.650) 3.722 58.162 ( -1.138 3.419 -3.436) 4.979 ======================= Grid point 133 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 14.604 -10.319 1.117) 17.917 2.441 ( -12.902 9.367 5.002) 16.710 2.490 ( 10.600 -19.652 -11.971) 25.335 2.769 ( -8.321 3.601 22.090) 23.879 3.186 ( 3.852 -8.706 -14.824) 17.617 3.448 ( -10.862 3.123 -3.219) 11.751 4.290 ( 6.874 3.299 16.893) 18.535 4.756 ( -8.720 4.081 -17.942) 20.362 5.490 ( 3.771 -9.383 -6.927) 12.258 5.694 ( 0.206 -4.450 5.682) 7.220 5.770 ( -10.736 -3.512 -4.654) 12.217 5.869 ( -3.516 0.758 -2.185) 4.208 6.174 ( 3.715 -6.545 -7.418) 10.567 6.437 ( -12.116 1.403 3.737) 12.757 7.135 ( 9.549 -7.235 7.405) 14.084 7.555 ( -8.404 -3.424 -12.221) 15.221 8.155 ( -1.349 -6.259 8.346) 10.519 8.488 ( -13.716 2.352 -6.024) 15.164 9.414 ( 30.717 -3.695 -10.722) 32.744 9.875 ( 16.099 4.885 -0.153) 16.824 10.111 ( -4.570 20.691 9.522) 23.231 10.304 ( -4.260 22.072 17.452) 28.458 11.974 ( 2.717 0.006 3.527) 4.452 12.052 ( 1.190 1.833 -0.023) 2.185 12.228 ( 6.875 -0.218 3.307) 7.633 12.542 ( -5.377 9.077 -2.502) 10.843 12.828 ( -0.605 -7.358 -0.480) 7.398 12.925 ( -5.399 -3.072 -1.313) 6.349 13.809 ( 4.190 -2.894 10.775) 11.918 14.044 ( -0.961 2.843 -10.666) 11.080 14.581 ( 2.589 -2.131 6.034) 6.904 14.725 ( -0.987 -1.177 1.680) 2.277 14.813 ( 0.542 -0.134 1.373) 1.483 15.009 ( -3.520 0.607 -10.891) 11.462 16.641 ( 1.447 1.496 1.654) 2.658 16.691 ( -0.313 4.036 1.205) 4.224 21.164 ( 1.485 -2.180 -0.645) 2.715 21.252 ( -2.623 1.095 -0.344) 2.863 21.775 ( 1.217 -1.288 0.762) 1.929 21.847 ( -2.224 -0.036 -0.794) 2.362 22.018 ( -0.032 -4.840 -1.813) 5.169 22.074 ( -2.863 -1.375 0.141) 3.179 22.447 ( 3.091 -1.006 -1.935) 3.783 22.492 ( 1.157 -0.225 -0.338) 1.226 22.586 ( 0.458 3.382 1.496) 3.727 22.630 ( -1.223 3.104 1.424) 3.628 23.024 ( 0.763 -2.634 -2.186) 3.507 23.078 ( -2.590 -0.092 0.451) 2.630 23.445 ( 2.702 -0.920 2.596) 3.858 23.551 ( -1.457 1.830 -1.596) 2.832 23.629 ( 0.609 -1.447 1.492) 2.166 23.683 ( -1.135 0.025 -1.593) 1.956 24.026 ( 1.002 -0.956 -0.761) 1.581 24.060 ( -0.965 0.637 0.927) 1.482 49.078 ( 0.369 -22.839 1.751) 22.909 49.203 ( 3.331 -19.769 3.683) 20.384 49.655 ( -24.306 -12.280 -14.202) 30.713 49.816 ( -24.773 -7.840 -11.923) 28.589 51.014 ( 13.234 -12.185 -20.153) 27.014 51.273 ( -5.881 2.507 4.557) 7.851 57.076 ( 0.431 2.049 7.156) 7.456 57.128 ( -0.736 2.665 4.052) 4.905 57.525 ( 10.436 2.188 4.146) 11.441 57.761 ( -1.094 3.542 -0.260) 3.716 57.951 ( 4.688 1.355 2.266) 5.381 58.128 ( -1.705 3.237 -3.558) 5.103 ======================= Grid point 141 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -0.000 -13.042 3.055) 13.395 2.334 ( -0.000 -20.700 -12.009) 23.931 2.628 ( 0.000 13.855 11.203) 17.817 2.900 ( -0.000 2.906 20.716) 20.919 3.117 ( 0.000 -12.564 -21.102) 24.559 3.606 ( 0.000 3.366 -6.242) 7.092 4.184 ( -0.000 2.797 14.977) 15.236 4.946 ( 0.000 1.460 -9.755) 9.864 5.383 ( 0.000 -8.367 -15.349) 17.481 5.676 ( -0.000 -3.610 8.088) 8.857 5.903 ( 0.000 -4.747 -13.401) 14.217 5.907 ( -0.000 -1.189 -0.422) 1.262 6.213 ( 0.000 -2.063 -6.423) 6.746 6.757 ( 0.000 1.947 -2.417) 3.104 6.838 ( -0.000 -7.848 9.354) 12.210 7.679 ( 0.000 -1.376 -4.111) 4.335 8.277 ( -0.000 -10.127 3.687) 10.777 8.763 ( 0.000 -1.427 -8.315) 8.437 8.874 ( 0.000 2.332 -5.980) 6.419 9.473 ( 0.000 1.424 -5.294) 5.482 10.251 ( 0.000 21.998 20.150) 29.832 10.351 ( 0.000 24.418 17.308) 29.930 11.941 ( -0.000 -0.540 5.763) 5.788 11.990 ( 0.000 1.215 0.389) 1.275 12.166 ( -0.000 1.029 3.927) 4.059 12.628 ( 0.000 9.162 -1.903) 9.358 12.830 ( -0.000 -7.295 -1.779) 7.509 13.005 ( 0.000 0.773 -3.289) 3.379 13.743 ( -0.000 -6.183 12.322) 13.786 14.055 ( 0.000 2.448 -9.754) 10.057 14.544 ( -0.000 -2.536 6.125) 6.629 14.732 ( -0.000 -3.774 7.834) 8.696 14.812 ( 0.000 2.324 -5.084) 5.590 15.059 ( 0.000 0.995 -11.831) 11.873 16.622 ( 0.000 1.720 1.621) 2.363 16.696 ( 0.000 4.937 1.757) 5.240 21.143 ( -0.000 -2.334 -0.821) 2.474 21.291 ( 0.000 1.121 -0.652) 1.297 21.757 ( -0.000 -1.558 0.694) 1.706 21.887 ( -0.000 -0.553 -0.315) 0.637 22.018 ( -0.000 -5.280 -2.683) 5.922 22.113 ( 0.000 -0.357 -0.690) 0.777 22.401 ( -0.000 -1.843 -1.560) 2.414 22.457 ( 0.000 -1.018 -1.396) 1.728 22.592 ( 0.000 4.597 2.824) 5.395 22.649 ( 0.000 3.162 1.395) 3.456 23.014 ( -0.000 -2.812 -2.498) 3.762 23.118 ( 0.000 -0.069 -0.809) 0.812 23.402 ( -0.000 -1.375 3.589) 3.843 23.574 ( 0.000 1.946 -1.550) 2.488 23.617 ( -0.000 -1.631 1.725) 2.374 23.699 ( 0.000 0.308 -1.680) 1.708 24.011 ( -0.000 -1.069 -0.754) 1.308 24.074 ( -0.000 0.612 0.943) 1.124 49.103 ( -0.000 -21.833 -0.465) 21.838 49.119 ( -0.000 -22.399 0.586) 22.407 50.114 ( -0.000 -14.041 -10.485) 17.524 50.261 ( 0.000 -4.853 -11.254) 12.256 50.705 ( 0.000 -17.607 -32.288) 36.776 51.298 ( 0.000 -0.909 -4.443) 4.535 57.132 ( -0.000 4.596 16.869) 17.484 57.138 ( -0.000 -0.535 7.233) 7.253 57.313 ( 0.000 5.338 1.754) 5.619 57.748 ( -0.000 1.021 2.409) 2.617 57.899 ( 0.000 3.102 -1.783) 3.578 58.152 ( 0.000 2.553 -3.808) 4.585 ======================= Grid point 142 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.520 -15.062 -2.779) 18.034 2.049 ( 5.854 -20.215 -17.590) 27.429 2.672 ( -9.102 -6.293 -7.405) 13.314 2.909 ( 5.809 1.917 -3.698) 7.148 3.158 ( -4.449 4.401 24.063) 24.863 3.537 ( -4.554 4.221 -4.785) 7.839 4.337 ( 3.419 2.849 1.358) 4.653 4.815 ( -9.965 3.513 -2.346) 10.823 5.216 ( 8.292 -8.124 -12.623) 17.150 5.706 ( -1.679 -4.662 -2.580) 5.586 5.755 ( -1.093 -3.677 2.799) 4.748 5.921 ( 3.140 -0.909 0.997) 3.417 6.066 ( -6.978 -3.122 -6.687) 10.156 6.626 ( -10.141 0.256 -0.008) 10.144 6.970 ( 9.759 -7.513 2.768) 12.623 7.503 ( -6.897 -9.223 -9.062) 14.655 8.262 ( -3.636 -5.212 10.864) 12.586 8.661 ( -8.677 5.846 -4.803) 11.513 8.907 ( 17.608 -3.141 -7.605) 19.435 9.555 ( 16.671 2.604 -8.417) 18.856 10.597 ( -7.250 22.489 18.798) 30.194 10.715 ( -2.209 22.776 16.015) 27.930 11.986 ( 0.065 0.332 2.343) 2.367 12.048 ( 3.739 0.666 2.993) 4.836 12.219 ( 0.731 0.287 3.558) 3.643 12.665 ( -4.072 6.032 -0.370) 7.287 12.731 ( 0.466 -5.642 -3.150) 6.479 12.974 ( -2.795 0.559 -0.067) 2.851 13.859 ( 3.056 -6.054 13.678) 15.267 13.969 ( -0.546 3.520 -9.360) 10.015 14.594 ( 1.384 -2.297 4.154) 4.944 14.753 ( -2.348 0.098 0.151) 2.355 14.814 ( 2.207 -2.793 4.125) 5.449 14.927 ( -1.458 1.281 -10.806) 10.978 16.652 ( 0.537 1.691 0.440) 1.828 16.744 ( -0.825 6.153 -0.741) 6.252 21.118 ( 0.877 -2.595 -1.131) 2.963 21.284 ( -1.333 1.530 -0.652) 2.131 21.751 ( 0.650 -1.572 -0.330) 1.733 21.876 ( -1.604 0.300 0.702) 1.776 21.949 ( 0.565 -5.444 -2.264) 5.923 22.095 ( -1.328 -0.714 -0.209) 1.522 22.377 ( 1.705 -1.911 -2.061) 3.287 22.443 ( 1.887 -1.781 -1.583) 3.040 22.654 ( -0.847 4.404 2.714) 5.242 22.688 ( -0.640 3.434 1.633) 3.856 22.963 ( 0.544 -3.367 -2.742) 4.376 23.100 ( -0.984 -0.223 -0.636) 1.192 23.439 ( 1.341 -1.101 2.972) 3.441 23.570 ( -0.929 2.206 -1.003) 2.596 23.623 ( 0.396 -2.180 1.324) 2.581 23.678 ( -0.584 0.253 -1.609) 1.730 23.998 ( 0.575 -1.028 -0.793) 1.420 24.087 ( -0.519 0.873 1.013) 1.434 48.874 ( -1.064 -24.345 -3.889) 24.677 48.979 ( 5.792 -22.136 -2.071) 22.975 49.716 ( -19.281 -12.861 -12.037) 26.117 49.903 ( -18.705 -9.057 -15.455) 25.899 50.406 ( 19.255 -15.424 -25.129) 35.216 51.285 ( 4.887 -1.304 -1.457) 5.264 57.176 ( -4.286 2.158 5.896) 7.601 57.316 ( -3.513 3.887 12.702) 13.740 57.455 ( 8.450 4.538 3.119) 10.086 57.789 ( 0.366 1.950 0.747) 2.120 57.926 ( 3.050 1.724 0.950) 3.630 58.125 ( -0.524 2.489 -3.494) 4.321 ======================= Grid point 151 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 -19.878 -4.543) 20.390 1.631 ( 0.000 -19.003 -22.202) 29.224 2.355 ( -0.000 -26.688 -18.236) 32.323 3.060 ( 0.000 14.584 8.380) 16.820 3.474 ( -0.000 5.550 19.839) 20.600 3.545 ( 0.000 5.799 -5.536) 8.017 4.321 ( 0.000 3.140 -3.853) 4.971 4.891 ( 0.000 -6.878 -15.812) 17.243 4.953 ( -0.000 -1.559 3.865) 4.168 5.665 ( 0.000 2.963 -2.120) 3.643 5.798 ( -0.000 -7.237 9.121) 11.643 5.850 ( -0.000 -4.700 -3.819) 6.056 6.061 ( 0.000 0.741 -3.283) 3.366 6.663 ( 0.000 1.068 -6.590) 6.676 6.899 ( -0.000 -8.790 7.809) 11.758 7.366 ( -0.000 -11.805 -9.886) 15.398 8.359 ( -0.000 -5.956 7.953) 9.936 8.528 ( 0.000 -2.653 -8.343) 8.754 8.904 ( 0.000 7.509 2.559) 7.933 9.360 ( 0.000 3.183 -8.030) 8.638 11.021 ( 0.000 20.701 16.451) 26.442 11.073 ( 0.000 22.104 13.284) 25.788 12.020 ( 0.000 1.117 0.596) 1.266 12.048 ( -0.000 -0.736 4.440) 4.501 12.255 ( -0.000 0.013 2.414) 2.414 12.578 ( -0.000 -11.400 -4.678) 12.323 12.833 ( 0.000 13.162 4.840) 14.024 12.999 ( 0.000 1.763 -0.626) 1.871 13.905 ( 0.000 3.250 -7.655) 8.316 13.941 ( -0.000 -9.234 16.443) 18.859 14.599 ( -0.000 -1.362 1.183) 1.804 14.784 ( 0.000 1.839 0.098) 1.842 14.785 ( -0.000 -4.108 -2.848) 4.999 14.863 ( 0.000 -0.276 -0.633) 0.691 16.662 ( 0.000 1.615 -0.324) 1.647 16.780 ( 0.000 8.279 -4.980) 9.661 21.076 ( -0.000 -2.864 -1.394) 3.185 21.298 ( 0.000 1.747 -0.803) 1.923 21.728 ( -0.000 -1.567 -0.641) 1.693 21.873 ( -0.000 -5.533 -2.096) 5.917 21.908 ( -0.000 1.020 1.631) 1.924 22.096 ( 0.000 -0.074 -0.574) 0.579 22.328 ( -0.000 -2.723 -1.300) 3.017 22.393 ( -0.000 -2.333 -1.875) 2.993 22.724 ( 0.000 4.041 2.419) 4.709 22.736 ( 0.000 3.328 1.402) 3.611 22.900 ( -0.000 -3.538 -2.632) 4.409 23.093 ( 0.000 -0.504 -1.071) 1.184 23.454 ( -0.000 -1.042 2.765) 2.955 23.585 ( 0.000 2.277 -0.763) 2.402 23.614 ( -0.000 -2.646 1.115) 2.871 23.668 ( 0.000 0.156 -1.272) 1.282 23.978 ( -0.000 -0.856 -0.771) 1.153 24.110 ( 0.000 1.117 0.979) 1.485 48.655 ( -0.000 -22.780 -6.995) 23.830 48.677 ( -0.000 -25.040 -5.152) 25.565 49.687 ( -0.000 -13.842 -6.079) 15.118 49.731 ( 0.000 -16.725 -28.030) 32.640 49.858 ( 0.000 -5.483 -16.685) 17.563 51.192 ( -0.000 -3.379 -1.306) 3.623 57.319 ( -0.000 0.288 8.799) 8.804 57.422 ( 0.000 4.344 2.113) 4.831 57.538 ( -0.000 6.144 9.206) 11.068 57.806 ( 0.000 1.722 0.198) 1.733 57.926 ( 0.000 1.563 1.247) 2.000 58.113 ( 0.000 2.357 -2.508) 3.442 ======================= Grid point 182 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -0.000 -0.000 20.194) 20.194 1.579 ( -0.000 -0.000 20.194) 20.194 2.669 ( -0.000 -0.000 28.403) 28.403 2.719 ( 0.000 0.000 -30.188) 30.188 3.431 ( -0.000 0.000 -3.425) 3.425 3.431 ( 0.000 -0.000 -3.425) 3.425 5.385 ( -0.000 -0.000 16.977) 16.977 5.385 ( -0.000 -0.000 16.977) 16.977 5.412 ( -0.000 -0.000 18.955) 18.955 5.578 ( -0.000 -0.000 2.806) 2.806 5.578 ( 0.000 -0.000 2.806) 2.806 5.869 ( -0.000 0.000 -3.156) 3.156 5.869 ( 0.000 0.000 -3.156) 3.156 6.784 ( -0.000 0.000 0.158) 0.158 6.784 ( 0.000 -0.000 0.158) 0.158 7.084 ( -0.000 -0.000 11.634) 11.634 8.233 ( 0.000 0.000 -2.064) 2.064 8.440 ( -0.000 -0.000 2.212) 2.212 9.142 ( -0.000 0.000 -6.026) 6.026 9.142 ( 0.000 -0.000 -6.026) 6.026 10.817 ( 0.000 -0.000 -25.876) 25.876 10.817 ( 0.000 0.000 -25.876) 25.876 11.949 ( 0.000 0.000 -2.580) 2.580 11.966 ( 0.000 0.000 -5.887) 5.887 12.236 ( -0.000 0.000 1.444) 1.444 12.236 ( 0.000 0.000 1.444) 1.444 12.876 ( 0.000 0.000 -3.874) 3.874 12.876 ( 0.000 0.000 -3.874) 3.874 13.608 ( -0.000 -0.000 1.648) 1.648 14.402 ( 0.000 0.000 -4.937) 4.937 14.402 ( 0.000 0.000 -4.937) 4.937 14.428 ( -0.000 -0.000 13.931) 13.931 15.088 ( -0.000 0.000 5.879) 5.879 15.088 ( -0.000 0.000 5.879) 5.879 16.643 ( 0.000 0.000 -3.776) 3.776 16.869 ( 0.000 0.000 -11.818) 11.818 21.140 ( -0.000 -0.000 3.783) 3.783 21.396 ( -0.000 -0.000 0.681) 0.681 21.771 ( -0.000 -0.000 2.734) 2.734 21.771 ( -0.000 -0.000 2.734) 2.734 21.983 ( -0.000 0.000 -0.377) 0.377 21.983 ( 0.000 0.000 -0.377) 0.377 22.392 ( -0.000 -0.000 3.020) 3.020 22.392 ( -0.000 -0.000 3.020) 3.020 22.735 ( 0.000 0.000 -3.536) 3.536 22.735 ( 0.000 0.000 -3.536) 3.536 22.936 ( -0.000 -0.000 4.774) 4.774 23.137 ( -0.000 -0.000 1.255) 1.255 23.412 ( 0.000 0.000 -0.872) 0.872 23.412 ( 0.000 -0.000 -0.872) 0.872 23.709 ( -0.000 0.000 1.150) 1.150 23.709 ( -0.000 0.000 1.150) 1.150 23.980 ( -0.000 -0.000 0.581) 0.581 24.075 ( 0.000 0.000 -2.041) 2.041 49.036 ( -0.000 -0.000 28.886) 28.886 49.036 ( -0.000 -0.000 28.886) 28.886 49.843 ( -0.000 -0.000 15.677) 15.677 50.411 ( -0.000 -0.000 24.686) 24.686 50.411 ( -0.000 -0.000 24.686) 24.686 51.060 ( -0.000 -0.000 6.675) 6.675 57.196 ( 0.000 -0.000 -6.481) 6.481 57.196 ( 0.000 0.000 -6.481) 6.481 57.536 ( 0.000 0.000 -7.596) 7.596 57.536 ( 0.000 -0.000 -7.596) 7.596 57.812 ( 0.000 0.000 -3.538) 3.538 57.958 ( 0.000 0.000 -4.805) 4.805 ======================= Grid point 183 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.468 1.425 16.048) 16.299 1.883 ( 4.120 2.379 16.852) 17.510 2.389 ( -0.575 -0.332 -24.957) 24.966 2.952 ( -2.485 -1.435 19.750) 19.957 3.248 ( -5.436 -3.138 -2.228) 6.661 3.507 ( 3.526 2.036 -2.468) 4.761 5.454 ( -9.745 -5.626 -2.425) 11.511 5.472 ( -8.169 -4.716 13.757) 16.680 5.483 ( -9.065 -5.234 6.173) 12.152 5.540 ( -4.692 -2.709 15.593) 16.508 5.709 ( 6.021 3.476 -0.054) 6.952 5.732 ( -0.491 -0.283 9.418) 9.435 6.084 ( 7.361 4.250 6.915) 10.957 6.595 ( -9.504 -5.487 -1.065) 11.025 6.988 ( 11.255 6.498 -0.232) 12.999 7.250 ( 3.250 1.876 10.925) 11.552 8.160 ( -4.374 -2.526 -2.581) 5.672 8.605 ( 16.024 9.252 1.644) 18.576 8.868 ( -11.103 -6.410 -5.522) 13.959 9.310 ( 16.011 9.244 -9.090) 20.601 10.469 ( -4.927 -2.845 -23.275) 23.960 10.516 ( -2.860 -1.651 -26.086) 26.294 11.915 ( 0.851 0.491 -4.314) 4.424 11.945 ( 2.767 1.597 -2.225) 3.893 12.174 ( -3.122 -1.802 0.843) 3.702 12.364 ( 6.059 3.498 2.757) 7.519 12.750 ( -4.585 -2.647 -5.122) 7.367 12.902 ( 2.929 1.691 -2.933) 4.477 13.625 ( -0.259 -0.150 1.764) 1.789 14.351 ( -0.489 -0.282 -1.799) 1.885 14.371 ( 1.202 0.694 -3.146) 3.439 14.574 ( 0.212 0.122 10.527) 10.529 15.091 ( -2.992 -1.727 3.461) 4.890 15.180 ( 1.057 0.610 4.681) 4.837 16.595 ( -0.071 -0.041 -4.454) 4.455 16.737 ( -0.863 -0.498 -9.500) 9.552 21.177 ( -0.356 -0.205 3.282) 3.308 21.387 ( -1.554 -0.897 0.175) 1.802 21.801 ( 0.536 0.309 2.566) 2.639 21.824 ( 1.155 0.667 3.365) 3.619 21.936 ( -2.322 -1.341 -0.037) 2.682 22.022 ( 1.575 0.909 0.192) 1.829 22.416 ( 0.298 0.172 2.347) 2.372 22.445 ( 1.573 0.908 2.324) 2.950 22.685 ( -1.079 -0.623 -3.757) 3.958 22.687 ( -0.766 -0.442 -3.525) 3.634 22.993 ( 0.641 0.370 4.212) 4.277 23.139 ( -1.139 -0.658 0.557) 1.429 23.381 ( -0.360 -0.208 -0.555) 0.694 23.448 ( 2.334 1.348 0.082) 2.696 23.705 ( -0.926 -0.535 0.508) 1.184 23.721 ( -0.401 -0.231 0.770) 0.898 23.992 ( 0.445 0.257 0.895) 1.031 24.054 ( -0.032 -0.019 -1.587) 1.587 49.266 ( -6.797 -3.925 29.155) 30.193 49.353 ( -2.650 -1.530 25.647) 25.829 49.988 ( -4.822 -2.784 16.725) 17.628 50.450 ( -17.086 -9.865 19.354) 27.638 50.830 ( 10.456 6.037 25.585) 28.291 51.218 ( 6.550 3.782 3.718) 8.427 57.080 ( -2.737 -1.580 -3.330) 4.591 57.111 ( -3.154 -1.821 -8.879) 9.596 57.452 ( 3.375 1.949 -4.948) 6.299 57.532 ( 4.787 2.764 -7.304) 9.160 57.794 ( 1.917 1.107 -2.989) 3.720 57.941 ( 3.262 1.883 -4.267) 5.692 ======================= Grid point 184 (60/85) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -7.046 -4.068 -9.607) 12.589 2.016 ( 9.102 5.255 9.919) 14.451 2.364 ( 8.449 4.878 8.791) 13.132 2.844 ( -14.907 -8.607 -0.311) 17.216 3.338 ( 4.803 2.773 9.308) 10.835 3.486 ( -3.253 -1.878 -2.255) 4.382 5.102 ( -16.864 -9.737 -7.315) 20.802 5.407 ( -14.061 -8.118 11.276) 19.767 5.442 ( -4.137 -2.388 5.211) 7.069 5.610 ( -1.633 -0.943 8.900) 9.098 5.808 ( 2.708 1.563 2.899) 4.264 5.866 ( -0.573 -0.331 7.786) 7.814 6.262 ( 3.089 1.784 9.039) 9.717 6.425 ( -7.272 -4.198 -0.782) 8.433 7.161 ( 7.177 4.144 0.724) 8.319 7.391 ( -0.138 -0.079 5.717) 5.719 8.092 ( 0.093 0.054 2.214) 2.216 8.631 ( -9.029 -5.213 -0.791) 10.456 9.044 ( 28.056 16.198 -1.021) 32.412 9.437 ( 10.187 5.881 -17.246) 20.876 10.151 ( -5.391 -3.113 -24.418) 25.199 10.208 ( 1.913 1.104 -12.731) 12.921 11.903 ( 1.925 1.111 -2.595) 3.417 12.009 ( 6.741 3.892 -1.616) 7.950 12.142 ( -1.327 -0.766 0.861) 1.757 12.510 ( 5.918 3.417 3.551) 7.701 12.602 ( -4.764 -2.750 -5.797) 7.991 12.911 ( 0.314 0.181 -0.896) 0.967 13.641 ( 0.056 0.033 1.607) 1.608 14.343 ( 0.399 0.230 0.253) 0.525 14.380 ( 1.959 1.131 -0.355) 2.290 14.660 ( -0.803 -0.464 5.660) 5.736 15.058 ( -3.265 -1.885 0.979) 3.895 15.224 ( -0.708 -0.409 2.454) 2.587 16.548 ( 0.014 0.008 -3.781) 3.781 16.639 ( -0.160 -0.092 -6.166) 6.169 21.201 ( -0.395 -0.228 2.487) 2.528 21.345 ( -2.932 -1.693 -0.299) 3.399 21.831 ( -0.342 -0.197 1.511) 1.562 21.886 ( 1.283 0.741 3.720) 4.004 21.907 ( -0.873 -0.504 0.744) 1.253 22.040 ( -0.247 -0.143 0.842) 0.889 22.451 ( 1.335 0.771 0.972) 1.823 22.499 ( 1.942 1.121 1.402) 2.644 22.617 ( -1.614 -0.932 -3.517) 3.980 22.634 ( -0.819 -0.473 -3.045) 3.188 23.047 ( 0.695 0.401 3.014) 3.119 23.106 ( -2.744 -1.584 0.058) 3.169 23.388 ( 1.349 0.779 -0.102) 1.561 23.495 ( 2.147 1.239 0.904) 2.638 23.685 ( -1.370 -0.791 -0.332) 1.617 23.714 ( -0.927 -0.535 0.494) 1.179 24.015 ( 0.878 0.507 0.990) 1.417 24.038 ( -0.163 -0.094 -0.923) 0.942 49.442 ( -7.793 -4.499 26.532) 28.017 49.509 ( -8.591 -4.960 21.419) 23.605 50.025 ( -11.937 -6.892 17.553) 22.318 50.283 ( -21.170 -12.222 14.687) 28.518 51.243 ( -5.627 -3.249 -3.898) 7.577 51.267 ( 8.510 4.913 17.368) 19.956 56.962 ( -1.649 -0.952 -6.545) 6.817 57.058 ( 2.321 1.340 1.151) 2.917 57.505 ( 6.388 3.688 -3.717) 8.259 57.547 ( 4.900 2.829 -6.348) 8.503 57.811 ( 3.090 1.784 -2.409) 4.305 57.963 ( 3.713 2.144 -4.035) 5.888 ======================= Grid point 185 (61/85) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -9.336 -5.390 -1.420) 10.874 2.259 ( 4.749 2.742 2.694) 6.110 2.572 ( -7.784 -4.494 -2.506) 9.330 2.675 ( 9.174 5.296 15.042) 18.398 3.332 ( -11.021 -6.363 -1.992) 12.881 3.496 ( 3.825 2.209 3.839) 5.852 4.734 ( -14.298 -8.255 -6.325) 17.680 5.228 ( -16.404 -9.471 8.099) 20.601 5.447 ( -1.490 -0.860 4.843) 5.139 5.691 ( 0.845 0.488 6.863) 6.932 5.791 ( -9.221 -5.324 -4.993) 11.760 5.873 ( 0.176 0.101 4.666) 4.670 6.336 ( -3.352 -1.936 0.616) 3.920 6.404 ( 2.413 1.393 6.934) 7.473 7.276 ( 2.460 1.420 4.913) 5.675 7.347 ( -5.828 -3.365 -0.535) 6.751 8.254 ( 8.735 5.043 8.940) 13.478 8.522 ( -4.784 -2.762 3.963) 6.798 9.268 ( -3.722 -2.149 -17.515) 18.034 9.419 ( 12.283 7.092 -18.125) 23.015 9.929 ( 12.477 7.203 -8.513) 16.734 10.295 ( 16.238 9.375 -6.425) 19.820 11.923 ( 2.479 1.431 -1.176) 3.095 12.139 ( 3.075 1.776 -1.239) 3.761 12.160 ( 7.865 4.541 1.160) 9.155 12.454 ( -4.096 -2.365 -5.835) 7.511 12.651 ( 4.478 2.585 4.048) 6.567 12.896 ( -2.066 -1.193 1.250) 2.693 13.667 ( 0.786 0.454 1.826) 2.039 14.364 ( 0.793 0.458 1.106) 1.436 14.437 ( 2.584 1.492 3.113) 4.312 14.668 ( -1.494 -0.863 -0.346) 1.760 14.996 ( -3.132 -1.809 -1.536) 3.930 15.205 ( -2.614 -1.509 -0.370) 3.041 16.519 ( 0.185 0.107 -1.422) 1.438 16.595 ( 0.857 0.495 -3.026) 3.183 21.220 ( -0.036 -0.021 1.708) 1.709 21.277 ( -3.830 -2.211 -0.549) 4.457 21.817 ( -2.035 -1.175 0.688) 2.448 21.918 ( 0.537 0.310 0.656) 0.903 21.951 ( 1.274 0.736 3.734) 4.014 22.031 ( -2.122 -1.225 1.409) 2.826 22.469 ( -0.029 -0.017 -0.924) 0.924 22.516 ( -1.556 -0.898 -1.272) 2.201 22.584 ( 2.163 1.249 -0.853) 2.639 22.605 ( 1.201 0.693 -1.910) 2.360 23.048 ( -3.604 -2.081 0.302) 4.173 23.082 ( 0.266 0.154 1.634) 1.663 23.422 ( 2.157 1.245 0.097) 2.492 23.544 ( 1.633 0.943 1.589) 2.466 23.648 ( -1.719 -0.992 -1.225) 2.333 23.702 ( -0.878 -0.507 0.370) 1.079 24.025 ( -0.557 -0.322 -0.390) 0.752 24.044 ( 1.163 0.672 0.775) 1.551 49.521 ( -14.409 -8.319 18.319) 24.747 49.572 ( -7.798 -4.502 22.363) 24.108 49.949 ( -17.369 -10.028 17.710) 26.756 50.014 ( -23.620 -13.637 10.834) 29.347 50.921 ( -19.158 -11.061 -10.960) 24.688 51.468 ( 0.406 0.234 3.693) 3.722 56.947 ( 4.433 2.560 -0.368) 5.132 57.190 ( 7.512 4.337 5.406) 10.220 57.558 ( 3.842 2.218 -6.418) 7.802 57.575 ( 5.832 3.367 -4.634) 8.175 57.853 ( 3.855 2.226 -1.420) 4.672 57.977 ( 2.590 1.495 -3.938) 4.945 ======================= Grid point 186 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -10.261 -5.924 15.799) 19.748 2.065 ( -18.047 -10.419 -2.343) 20.970 2.682 ( 15.155 8.749 -3.705) 17.887 2.989 ( -0.857 -0.495 11.467) 11.510 3.069 ( -8.339 -4.814 2.951) 10.071 3.564 ( 3.589 2.072 -3.292) 5.292 4.459 ( -9.588 -5.535 -3.367) 11.571 5.023 ( -15.002 -8.662 8.187) 19.160 5.473 ( -3.239 -1.870 -14.929) 15.390 5.504 ( -8.001 -4.619 7.280) 11.762 5.784 ( 1.229 0.710 5.713) 5.887 5.930 ( -0.046 -0.027 5.638) 5.638 6.244 ( -4.277 -2.469 -6.370) 8.060 6.502 ( 1.495 0.863 4.697) 5.004 7.233 ( -5.952 -3.436 -0.007) 6.873 7.366 ( -1.919 -1.108 9.894) 10.139 8.485 ( 5.720 3.303 2.711) 7.140 8.526 ( -1.823 -1.053 6.142) 6.493 9.070 ( -2.735 -1.579 -0.687) 3.232 9.157 ( -4.088 -2.360 -25.110) 25.550 10.335 ( 28.436 16.417 -2.830) 32.956 10.560 ( 20.405 11.781 -8.542) 25.062 11.961 ( 2.414 1.394 -0.354) 2.810 12.157 ( 0.650 0.375 -0.667) 1.003 12.320 ( -0.963 -0.556 -3.605) 3.772 12.384 ( 12.000 6.928 -1.722) 13.963 12.738 ( -1.850 -1.068 5.128) 5.555 12.885 ( 0.252 0.145 1.708) 1.733 13.713 ( 1.575 0.909 2.787) 3.328 14.373 ( -0.186 -0.107 -2.669) 2.678 14.541 ( 2.806 1.620 6.592) 7.345 14.614 ( -1.279 -0.739 -3.139) 3.470 14.911 ( -2.653 -1.532 -4.033) 5.065 15.122 ( -4.168 -2.407 -3.210) 5.785 16.531 ( 0.883 0.510 2.445) 2.649 16.598 ( 1.548 0.894 -0.723) 1.928 21.198 ( -4.098 -2.366 -0.417) 4.751 21.240 ( 0.520 0.300 1.122) 1.272 21.784 ( -2.204 -1.272 0.662) 2.630 21.926 ( 0.283 0.163 -0.667) 0.743 21.990 ( -3.183 -1.838 1.960) 4.165 22.019 ( 0.793 0.458 3.131) 3.263 22.431 ( -2.161 -1.248 -1.437) 2.879 22.460 ( -2.435 -1.406 -0.836) 2.934 22.632 ( 3.442 1.987 -1.628) 4.295 22.635 ( 3.497 2.019 -0.516) 4.071 22.987 ( -3.783 -2.184 1.044) 4.492 23.094 ( -0.286 -0.165 0.736) 0.807 23.464 ( 2.169 1.252 0.128) 2.508 23.589 ( 1.050 0.606 2.066) 2.395 23.598 ( -1.707 -0.985 -1.943) 2.768 23.690 ( -0.697 -0.403 -0.005) 0.805 24.008 ( -1.028 -0.593 -0.020) 1.187 24.073 ( 1.279 0.738 0.314) 1.510 49.370 ( -21.883 -12.634 13.121) 28.472 49.583 ( -20.538 -11.858 8.664) 25.249 49.727 ( -13.940 -8.049 16.313) 22.918 49.818 ( -18.395 -10.620 19.355) 28.736 50.387 ( -23.103 -13.338 -10.721) 28.751 51.404 ( -4.611 -2.662 -4.821) 7.183 57.092 ( 8.218 4.745 3.818) 10.229 57.400 ( 6.835 3.946 3.626) 8.686 57.554 ( 4.130 2.384 -4.186) 6.346 57.605 ( 4.214 2.433 -6.765) 8.333 57.922 ( 4.453 2.571 0.393) 5.156 57.969 ( 1.288 0.743 -3.822) 4.101 ======================= Grid point 187 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -12.272 -7.085 26.588) 30.129 1.692 ( -19.747 -11.401 -0.711) 22.813 2.673 ( -23.612 -13.632 5.191) 27.755 2.900 ( 14.950 8.631 -7.614) 18.867 3.327 ( 8.271 4.775 11.002) 14.569 3.559 ( 4.627 2.671 -11.277) 12.479 4.316 ( -4.221 -2.437 0.484) 4.898 4.891 ( -11.027 -6.366 11.737) 17.317 5.142 ( -7.695 -4.443 -13.651) 16.288 5.575 ( 1.807 1.043 5.226) 5.627 5.847 ( -0.907 -0.524 4.747) 4.861 5.998 ( 0.805 0.465 5.082) 5.166 6.042 ( -6.166 -3.560 -11.554) 13.572 6.578 ( 1.068 0.617 5.365) 5.505 7.104 ( -6.801 -3.926 -3.769) 8.710 7.407 ( -6.630 -3.828 10.841) 13.272 8.508 ( -2.168 -1.251 1.958) 3.178 8.527 ( -5.253 -3.033 0.642) 6.100 8.886 ( 2.609 1.506 -15.250) 15.545 9.178 ( 4.400 2.541 10.813) 11.948 10.778 ( 25.342 14.631 -7.508) 30.210 10.823 ( 20.448 11.806 -12.027) 26.498 11.998 ( 1.851 1.069 -0.189) 2.145 12.122 ( -1.436 -0.829 -4.112) 4.433 12.271 ( 0.184 0.106 -1.771) 1.784 12.626 ( 14.506 8.375 -2.102) 16.881 12.692 ( -8.355 -4.824 5.372) 11.043 12.943 ( 2.980 1.721 1.435) 3.728 13.790 ( 2.275 1.313 4.755) 5.432 14.240 ( -4.261 -2.460 -14.226) 15.052 14.596 ( 0.090 0.052 1.546) 1.549 14.678 ( 2.200 1.270 9.206) 9.550 14.819 ( -1.460 -0.843 -4.893) 5.175 14.989 ( -4.846 -2.798 -5.516) 7.858 16.615 ( 3.283 1.896 6.100) 7.182 16.628 ( 1.706 0.985 0.410) 2.013 21.124 ( -3.646 -2.105 0.225) 4.216 21.265 ( 1.082 0.625 0.817) 1.493 21.753 ( -1.968 -1.136 0.596) 2.349 21.917 ( 0.285 0.165 -1.594) 1.628 21.937 ( -4.556 -2.630 1.968) 5.617 22.070 ( 0.959 0.554 2.282) 2.537 22.373 ( -2.766 -1.597 -0.474) 3.229 22.416 ( -2.206 -1.274 0.689) 2.639 22.680 ( 3.857 2.227 -2.050) 4.903 22.691 ( 3.426 1.978 -0.995) 4.079 22.936 ( -3.549 -2.049 1.906) 4.520 23.093 ( -0.549 -0.317 0.646) 0.905 23.490 ( 0.411 0.237 -1.113) 1.210 23.558 ( 0.174 0.101 -1.049) 1.068 23.625 ( 0.247 0.143 1.992) 2.012 23.673 ( -0.790 -0.456 -0.719) 1.162 23.989 ( -1.174 -0.678 0.398) 1.412 24.096 ( 1.215 0.702 -0.301) 1.435 49.026 ( -25.789 -14.889 6.063) 30.389 49.125 ( -28.775 -16.613 1.227) 33.249 49.733 ( -16.973 -9.799 23.793) 30.825 49.772 ( -6.364 -3.674 17.117) 18.628 49.933 ( -17.819 -10.288 -1.874) 20.660 51.265 ( -4.174 -2.410 -3.466) 5.937 57.290 ( 8.040 4.642 3.458) 9.907 57.411 ( 0.451 0.260 -7.815) 7.832 57.580 ( 3.108 1.795 -9.357) 10.022 57.695 ( 6.782 3.915 4.708) 9.137 57.942 ( 0.506 0.292 -3.649) 3.695 58.021 ( 4.244 2.450 2.478) 5.492 ======================= Grid point 192 (64/85) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 -11.225 9.566) 14.748 2.118 ( -0.000 7.782 17.668) 19.306 2.155 ( 0.000 1.817 -14.055) 14.172 3.147 ( -0.000 -14.015 -5.311) 14.988 3.208 ( -0.000 5.591 15.454) 16.434 3.509 ( 0.000 8.837 -2.734) 9.250 5.271 ( -0.000 -34.283 -0.138) 34.284 5.508 ( -0.000 -6.387 2.301) 6.789 5.623 ( -0.000 1.466 2.988) 3.328 5.717 ( -0.000 -5.811 11.759) 13.116 5.756 ( -0.000 6.598 7.721) 10.156 6.043 ( -0.000 9.270 16.332) 18.779 6.124 ( 0.000 9.868 5.125) 11.120 6.637 ( -0.000 -5.450 -0.822) 5.512 6.866 ( 0.000 0.269 -2.927) 2.939 7.433 ( 0.000 15.796 8.160) 17.779 8.115 ( -0.000 -7.989 -1.953) 8.225 8.570 ( 0.000 10.003 0.967) 10.049 8.907 ( 0.000 0.460 -4.528) 4.551 9.111 ( 0.000 7.478 -10.803) 13.139 10.215 ( 0.000 -4.580 -21.064) 21.556 10.231 ( 0.000 -3.805 -24.878) 25.167 11.869 ( 0.000 0.081 -2.784) 2.785 11.912 ( 0.000 1.633 -1.887) 2.496 12.171 ( -0.000 -5.672 1.206) 5.799 12.418 ( 0.000 10.351 2.931) 10.758 12.704 ( 0.000 -3.815 -5.305) 6.534 12.869 ( 0.000 5.334 -3.470) 6.363 13.646 ( -0.000 -2.344 3.401) 4.131 14.343 ( -0.000 -0.281 0.101) 0.298 14.345 ( 0.000 0.528 -0.092) 0.536 14.672 ( -0.000 -0.922 6.670) 6.733 15.109 ( -0.000 -4.447 1.074) 4.575 15.230 ( 0.000 3.502 1.876) 3.973 16.547 ( 0.000 -0.124 -3.828) 3.830 16.642 ( 0.000 -0.409 -7.333) 7.345 21.209 ( -0.000 -0.881 2.851) 2.984 21.388 ( -0.000 -1.493 -0.300) 1.523 21.814 ( -0.000 -1.796 2.729) 3.267 21.880 ( 0.000 3.558 3.579) 5.047 21.939 ( -0.000 -2.355 0.518) 2.412 22.031 ( 0.000 2.977 0.341) 2.996 22.435 ( -0.000 -0.465 1.670) 1.733 22.464 ( -0.000 1.153 1.595) 1.968 22.642 ( 0.000 -1.307 -3.606) 3.835 22.648 ( 0.000 -0.548 -3.709) 3.750 23.036 ( -0.000 0.590 3.424) 3.474 23.149 ( -0.000 -0.357 0.122) 0.377 23.369 ( -0.000 -2.369 0.529) 2.428 23.459 ( 0.000 3.364 0.790) 3.456 23.703 ( -0.000 -1.723 -0.121) 1.727 23.732 ( 0.000 0.377 0.111) 0.393 24.003 ( -0.000 0.406 1.080) 1.154 24.039 ( 0.000 0.173 -1.035) 1.050 49.571 ( -0.000 -11.327 27.009) 29.288 49.610 ( -0.000 -10.264 25.753) 27.723 50.219 ( -0.000 2.691 16.415) 16.634 50.767 ( -0.000 -8.610 14.451) 16.822 50.989 ( -0.000 4.213 18.800) 19.266 51.298 ( 0.000 10.946 6.968) 12.976 56.998 ( -0.000 -8.136 -7.742) 11.231 57.056 ( -0.000 -2.729 -1.428) 3.080 57.360 ( 0.000 -0.408 -4.359) 4.378 57.467 ( 0.000 7.712 -6.501) 10.086 57.768 ( 0.000 2.414 -2.223) 3.282 57.912 ( 0.000 6.229 -3.526) 7.157 ======================= Grid point 193 (65/85) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.428 -10.667 0.094) 10.676 2.106 ( -0.734 1.626 5.821) 6.088 2.423 ( 7.491 4.898 15.093) 17.547 2.908 ( -8.859 -11.825 -4.963) 15.587 3.409 ( 2.136 6.581 6.435) 9.449 3.524 ( -2.932 6.138 -3.162) 7.501 4.959 ( -3.475 -34.611 -0.860) 34.796 5.472 ( -1.613 -4.681 1.930) 5.314 5.662 ( -0.244 1.828 2.631) 3.213 5.755 ( -4.519 -5.779 6.905) 10.075 5.833 ( -6.366 3.009 4.906) 8.582 6.110 ( -11.893 9.409 9.694) 17.999 6.340 ( 3.016 4.193 8.436) 9.892 6.491 ( -9.042 -3.322 -2.124) 9.864 6.958 ( 14.926 -5.675 -0.844) 15.991 7.591 ( -5.682 16.590 0.679) 17.549 8.076 ( 2.958 -4.348 4.772) 7.101 8.750 ( -4.158 3.633 -0.220) 5.526 8.820 ( 11.355 12.563 -1.742) 17.024 9.170 ( 10.784 5.938 -11.519) 16.859 9.903 ( -2.344 -5.599 -22.870) 23.662 10.004 ( 4.463 -1.822 -14.401) 15.187 11.859 ( 1.588 0.160 -1.162) 1.974 11.938 ( 4.267 2.575 -1.457) 5.193 12.143 ( 0.023 -4.250 1.429) 4.484 12.549 ( 1.402 8.813 2.551) 9.281 12.589 ( -3.565 -0.665 -5.082) 6.243 12.892 ( 1.690 4.532 -2.492) 5.441 13.666 ( -0.321 -3.212 4.636) 5.649 14.352 ( -0.102 -0.526 2.476) 2.534 14.377 ( 1.578 0.286 3.018) 3.418 14.697 ( -0.563 -1.707 0.451) 1.853 15.061 ( -1.374 -3.973 -1.559) 4.484 15.256 ( -0.963 3.010 -1.146) 3.361 16.515 ( 0.076 0.037 -1.831) 1.833 16.578 ( 0.346 0.181 -4.211) 4.229 21.227 ( -0.257 -1.231 2.180) 2.517 21.357 ( -1.666 -1.900 -0.670) 2.614 21.830 ( 0.665 -2.847 2.143) 3.625 21.923 ( -1.207 -0.908 1.020) 1.822 21.949 ( -0.229 4.037 3.444) 5.311 22.060 ( -0.067 2.101 0.779) 2.241 22.448 ( 0.593 -0.341 0.499) 0.846 22.495 ( 1.385 0.771 0.716) 1.739 22.587 ( -0.685 -1.247 -3.191) 3.494 22.601 ( -0.378 -0.471 -3.208) 3.264 23.074 ( 0.203 0.464 2.189) 2.247 23.131 ( -1.981 -0.686 -0.105) 2.099 23.371 ( 1.252 -1.593 1.296) 2.406 23.504 ( 0.947 2.608 1.525) 3.166 23.679 ( -0.504 -1.877 -0.965) 2.170 23.727 ( -0.680 0.294 -0.359) 0.823 24.022 ( 0.436 0.474 1.020) 1.206 24.033 ( -0.092 0.216 -0.379) 0.445 49.718 ( -3.214 -15.527 23.924) 28.702 49.753 ( -3.252 -16.005 22.740) 27.997 50.354 ( -9.096 1.699 15.262) 17.848 50.657 ( -19.315 -7.755 10.306) 23.225 51.209 ( 1.577 -0.756 1.591) 2.365 51.462 ( -2.224 10.741 9.131) 14.272 56.862 ( 1.629 -8.168 -4.134) 9.298 57.047 ( 2.377 -0.942 1.828) 3.143 57.361 ( 6.227 -1.267 -3.716) 7.361 57.486 ( 1.864 8.476 -5.148) 10.090 57.778 ( 1.405 2.897 -1.597) 3.594 57.938 ( 0.491 7.735 -3.212) 8.390 ======================= Grid point 194 (66/85) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -3.383 -6.356 12.072) 14.056 2.213 ( 5.798 -2.956 4.528) 7.928 2.603 ( -7.790 -6.828 -2.839) 10.740 2.768 ( 6.570 3.535 12.199) 14.300 3.431 ( -9.233 2.339 -3.025) 9.994 3.510 ( 0.568 6.360 -2.396) 6.820 4.645 ( -4.295 -29.912 1.240) 30.245 5.418 ( -3.047 -4.683 -1.916) 5.906 5.628 ( -18.965 3.898 4.786) 19.944 5.680 ( -0.679 -8.031 2.340) 8.393 5.810 ( 0.212 -0.475 0.559) 0.763 6.080 ( -14.160 6.344 6.319) 16.753 6.350 ( -3.732 -2.173 -4.647) 6.343 6.459 ( 1.362 1.574 4.525) 4.981 7.096 ( 10.967 -11.065 4.369) 16.180 7.585 ( -7.717 14.484 -2.647) 16.624 8.225 ( 7.237 -1.537 8.479) 11.253 8.695 ( -7.980 7.209 5.270) 11.976 9.079 ( 10.751 3.723 -11.418) 16.119 9.184 ( 2.039 6.428 -9.180) 11.390 9.685 ( 11.270 1.728 -11.861) 16.452 10.030 ( 16.335 4.511 -10.132) 19.744 11.886 ( 2.650 0.430 0.064) 2.686 12.034 ( 8.145 3.677 -1.999) 9.158 12.146 ( 1.892 -2.608 2.463) 4.056 12.446 ( -5.170 0.170 -5.925) 7.866 12.692 ( 2.203 7.646 3.563) 8.718 12.918 ( 0.072 2.998 -0.865) 3.121 13.694 ( -0.131 -2.846 5.528) 6.219 14.374 ( -0.161 -1.541 1.974) 2.510 14.459 ( 2.827 -0.246 6.074) 6.704 14.650 ( -1.059 -1.073 -3.833) 4.119 14.978 ( -2.045 -3.078 -3.969) 5.424 15.221 ( -2.659 1.885 -4.267) 5.369 16.514 ( 0.435 0.384 0.800) 0.988 16.561 ( 1.048 0.838 -1.456) 1.980 21.235 ( -0.065 -1.185 1.530) 1.936 21.301 ( -3.015 -1.981 -0.794) 3.693 21.829 ( -0.426 -3.006 1.557) 3.412 21.914 ( -0.436 -0.789 0.517) 1.039 22.010 ( -0.590 3.362 3.034) 4.566 22.073 ( -1.657 1.113 1.387) 2.430 22.450 ( 0.383 -1.235 -0.823) 1.533 22.516 ( -0.207 0.057 -0.662) 0.696 22.555 ( 1.561 0.751 -1.494) 2.288 22.567 ( 0.659 0.046 -2.325) 2.417 23.087 ( -3.140 -1.156 0.325) 3.361 23.096 ( -0.027 0.089 1.010) 1.014 23.403 ( 2.082 -0.555 1.537) 2.647 23.556 ( 1.164 1.557 2.071) 2.840 23.638 ( -1.024 -1.650 -1.911) 2.724 23.713 ( -0.860 0.265 -0.603) 1.083 24.029 ( -0.469 0.027 0.081) 0.477 24.044 ( 0.794 0.430 0.676) 1.128 49.769 ( -6.851 -19.814 19.978) 28.959 49.790 ( -4.382 -18.232 20.319) 27.649 50.325 ( -16.784 -3.531 11.032) 20.393 50.404 ( -23.479 -6.512 8.873) 25.931 51.017 ( -18.802 -3.566 -7.009) 20.381 51.537 ( -4.643 4.783 -0.551) 6.689 56.861 ( 7.313 -4.779 2.146) 8.995 57.170 ( 8.546 2.102 5.527) 10.392 57.397 ( 7.627 -2.188 -5.407) 9.601 57.518 ( 0.920 8.114 -4.878) 9.512 57.817 ( 2.849 2.712 -0.534) 3.969 57.963 ( -0.463 7.336 -3.398) 8.098 ======================= Grid point 195 (67/85) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -6.246 -4.027 24.555) 25.655 2.168 ( -10.645 -10.711 0.026) 15.101 2.514 ( 7.783 4.128 -4.899) 10.080 3.060 ( 10.099 0.797 11.899) 15.628 3.235 ( -15.370 -0.855 -1.571) 15.473 3.492 ( 0.209 5.478 -9.999) 11.403 4.423 ( -3.173 -21.870 5.843) 22.859 5.212 ( -7.497 -8.524 -11.322) 16.033 5.436 ( -17.161 2.206 0.377) 17.307 5.627 ( -3.268 -5.224 7.548) 9.744 5.857 ( 1.008 3.407 2.095) 4.125 6.026 ( -6.780 -0.623 6.556) 9.452 6.196 ( -4.907 -0.968 -10.480) 11.612 6.525 ( 2.570 -1.103 2.901) 4.030 7.167 ( 2.914 -10.174 5.803) 12.069 7.582 ( -5.936 10.140 -0.232) 11.752 8.368 ( 8.324 -7.783 5.642) 12.716 8.715 ( -7.645 4.783 1.911) 9.218 8.943 ( -4.022 2.563 -16.260) 16.945 9.172 ( -2.696 9.097 7.381) 12.021 9.992 ( 29.618 10.766 -6.211) 32.120 10.233 ( 21.710 8.500 -11.563) 26.024 11.933 ( 2.676 0.801 0.636) 2.865 12.111 ( 3.668 0.501 -3.065) 4.806 12.256 ( 9.879 2.113 2.721) 10.462 12.324 ( -3.927 2.154 -5.444) 7.050 12.804 ( 0.709 2.679 4.605) 5.374 12.921 ( -1.648 2.536 -0.043) 3.025 13.745 ( 0.712 -1.601 6.277) 6.517 14.321 ( -1.875 -3.299 -7.336) 8.260 14.564 ( 2.953 -1.816 4.356) 5.567 14.630 ( 0.203 1.674 5.130) 5.400 14.873 ( -2.276 -1.973 -5.638) 6.392 15.121 ( -4.205 0.678 -6.833) 8.052 16.553 ( 1.484 0.982 2.981) 3.472 16.582 ( 1.523 1.321 0.202) 2.027 21.230 ( -3.725 -1.753 -0.563) 4.155 21.243 ( 0.470 -0.924 1.019) 1.454 21.809 ( -1.720 -2.076 1.259) 2.976 21.904 ( 0.331 -1.571 -0.738) 1.767 22.041 ( -2.032 -0.484 2.285) 3.096 22.073 ( -1.852 2.317 1.829) 3.485 22.422 ( -0.920 -2.028 -0.481) 2.278 22.488 ( -2.445 0.772 -0.468) 2.606 22.573 ( 3.458 0.971 -2.297) 4.263 22.594 ( 3.373 1.461 -0.808) 3.764 23.037 ( -3.613 -1.367 1.083) 4.012 23.102 ( -0.115 -0.343 0.385) 0.528 23.448 ( 2.096 0.108 1.475) 2.565 23.583 ( -1.221 -1.205 -2.629) 3.140 23.606 ( 0.921 0.698 2.231) 2.513 23.695 ( -0.816 0.156 -0.910) 1.232 24.021 ( -0.986 -0.187 0.353) 1.064 24.064 ( 1.049 0.292 0.157) 1.100 49.648 ( -15.933 -21.339 14.709) 30.424 49.779 ( -7.374 -18.652 14.831) 24.945 50.025 ( -23.807 -13.106 4.691) 27.578 50.163 ( -16.206 -11.663 4.599) 20.490 50.624 ( -27.369 2.687 1.702) 27.553 51.433 ( -6.986 2.301 -5.512) 9.191 57.002 ( 10.670 -3.075 4.428) 11.955 57.395 ( 8.746 4.059 4.972) 10.848 57.403 ( 6.328 -1.556 -8.055) 10.360 57.532 ( 0.992 7.060 -3.635) 8.003 57.893 ( 4.512 2.361 1.676) 5.361 57.963 ( -1.529 6.219 -3.730) 7.411 ======================= Grid point 196 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -17.371 -5.885 0.510) 18.348 2.043 ( -12.167 -3.386 27.413) 30.182 2.635 ( 13.317 0.539 -6.937) 15.025 2.984 ( -18.339 -2.347 4.826) 19.108 3.277 ( 10.375 -2.992 -5.583) 12.156 3.424 ( 1.901 4.396 -4.489) 6.564 4.342 ( -2.801 -9.242 7.716) 12.361 4.907 ( -1.008 -9.689 -14.718) 17.650 5.263 ( -16.265 3.520 7.466) 18.240 5.663 ( -1.781 -2.615 9.191) 9.720 5.900 ( -1.100 0.693 -0.411) 1.364 5.965 ( -2.378 -1.623 -9.677) 10.097 6.049 ( -3.517 -3.149 5.449) 7.209 6.585 ( 4.468 -4.255 2.930) 6.830 7.123 ( -7.179 -1.892 -0.334) 7.431 7.552 ( -4.301 -3.982 3.663) 6.912 8.500 ( 7.514 -7.628 6.205) 12.375 8.511 ( -3.181 -5.663 -13.055) 14.582 8.870 ( -9.771 13.421 4.445) 17.186 9.368 ( -2.285 15.181 12.146) 19.576 10.375 ( 28.660 7.010 -12.468) 32.031 10.480 ( 22.631 11.621 -13.096) 28.613 11.977 ( 1.736 0.784 0.336) 1.935 12.092 ( -0.376 0.887 -4.675) 4.774 12.250 ( -1.121 1.898 -3.463) 4.105 12.474 ( 13.231 3.811 1.003) 13.805 12.816 ( -6.062 -4.066 5.082) 8.894 12.943 ( 1.443 2.874 0.217) 3.223 13.833 ( 2.034 -0.008 7.498) 7.769 14.119 ( -4.736 -2.888 -14.701) 15.713 14.618 ( 0.433 -0.436 3.458) 3.512 14.744 ( 1.710 -1.593 2.629) 3.517 14.791 ( -0.225 0.557 3.235) 3.291 14.972 ( -5.122 -0.167 -8.215) 9.682 16.620 ( 1.551 1.494 0.496) 2.210 16.635 ( 3.549 1.835 3.437) 5.270 21.164 ( -3.655 -1.246 0.069) 3.862 21.258 ( 1.238 -0.628 0.739) 1.572 21.779 ( -2.213 -1.141 0.679) 2.581 21.886 ( 0.762 -1.692 -1.172) 2.195 22.007 ( -4.400 -1.899 2.172) 5.261 22.092 ( -0.221 0.636 1.121) 1.308 22.392 ( -1.875 -0.997 0.921) 2.315 22.459 ( -2.719 0.912 0.609) 2.932 22.612 ( 4.335 1.498 -2.531) 5.238 22.644 ( 3.651 1.445 -1.142) 4.090 22.993 ( -3.522 -1.363 1.919) 4.236 23.100 ( -0.056 -0.705 0.372) 0.799 23.479 ( -0.054 0.245 -0.531) 0.587 23.539 ( 0.652 -0.300 -1.307) 1.491 23.644 ( 0.368 -0.095 2.007) 2.043 23.671 ( -0.824 -0.099 -1.181) 1.444 24.008 ( -1.287 -0.207 0.606) 1.437 24.079 ( 1.143 0.131 -0.436) 1.230 49.301 ( -25.833 -17.382 4.059) 31.399 49.427 ( -29.432 -11.828 -1.912) 31.778 49.819 ( -3.233 -25.660 12.615) 28.775 49.935 ( -4.721 -18.163 7.347) 20.154 50.425 ( -26.299 8.969 18.309) 33.276 51.320 ( -5.458 3.176 -2.163) 6.675 57.150 ( 9.369 -4.040 0.209) 10.205 57.373 ( 6.590 -1.255 -10.726) 12.651 57.453 ( -3.457 8.950 -4.494) 10.595 57.675 ( 7.932 3.227 4.571) 9.707 57.937 ( -1.927 4.875 -3.596) 6.357 58.014 ( 4.917 2.145 3.969) 6.673 ======================= Grid point 202 (69/85) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.000 -10.628 12.014) 16.040 2.164 ( -0.000 -4.570 6.436) 7.893 2.576 ( -0.000 5.071 13.544) 14.463 2.810 ( -0.000 -10.799 -5.136) 11.958 3.502 ( 0.000 9.296 -0.551) 9.312 3.559 ( 0.000 7.717 -4.980) 9.184 4.703 ( -0.000 -37.442 3.337) 37.591 5.456 ( -0.000 -4.857 -0.341) 4.869 5.701 ( 0.000 3.965 0.432) 3.988 5.726 ( -0.000 -12.017 3.577) 12.538 5.999 ( 0.000 3.705 2.745) 4.611 6.317 ( -0.000 3.558 4.103) 5.431 6.432 ( 0.000 1.614 0.885) 1.841 6.637 ( -0.000 2.519 8.501) 8.866 6.715 ( -0.000 -4.775 -4.376) 6.477 7.683 ( 0.000 6.910 -7.920) 10.511 8.155 ( -0.000 7.662 10.585) 13.067 8.722 ( 0.000 8.018 -1.717) 8.200 8.967 ( 0.000 10.025 2.372) 10.301 9.037 ( 0.000 10.076 -2.560) 10.397 9.620 ( 0.000 -7.916 -21.023) 22.464 9.788 ( 0.000 -2.084 -13.276) 13.439 11.845 ( -0.000 -0.044 0.573) 0.575 11.912 ( 0.000 2.240 -1.014) 2.459 12.123 ( -0.000 -4.257 1.772) 4.611 12.543 ( 0.000 -0.461 -5.754) 5.773 12.656 ( 0.000 10.163 2.719) 10.520 12.897 ( 0.000 7.403 -2.990) 7.984 13.701 ( -0.000 -5.078 7.224) 8.830 14.386 ( -0.000 -2.966 4.183) 5.128 14.407 ( -0.000 -0.096 4.913) 4.914 14.665 ( 0.000 -1.471 -3.708) 3.989 15.009 ( 0.000 -3.629 -3.793) 5.249 15.258 ( 0.000 3.660 -4.873) 6.094 16.508 ( 0.000 0.360 0.344) 0.498 16.546 ( 0.000 0.794 -1.727) 1.901 21.237 ( -0.000 -1.931 1.677) 2.557 21.345 ( -0.000 -1.913 -0.890) 2.110 21.824 ( -0.000 -3.388 2.100) 3.986 21.936 ( -0.000 -0.728 0.925) 1.177 22.021 ( 0.000 3.968 2.858) 4.890 22.090 ( 0.000 3.044 0.717) 3.127 22.441 ( -0.000 -1.143 -0.022) 1.144 22.492 ( 0.000 0.218 -0.082) 0.233 22.547 ( 0.000 -1.314 -2.700) 3.002 22.572 ( 0.000 0.407 -2.462) 2.496 23.094 ( -0.000 0.205 1.112) 1.131 23.139 ( 0.000 -0.149 -0.484) 0.506 23.368 ( -0.000 -2.267 2.757) 3.569 23.538 ( 0.000 2.262 1.960) 2.993 23.652 ( -0.000 -1.904 -1.720) 2.566 23.727 ( 0.000 0.424 -1.003) 1.089 24.032 ( -0.000 0.326 0.805) 0.868 24.035 ( 0.000 0.360 0.134) 0.384 49.840 ( -0.000 -20.923 20.825) 29.521 49.864 ( -0.000 -21.828 20.594) 30.010 50.571 ( -0.000 -0.269 10.064) 10.068 50.783 ( -0.000 -11.611 3.085) 12.014 51.257 ( 0.000 4.950 1.669) 5.224 51.630 ( 0.000 9.270 0.574) 9.288 56.752 ( -0.000 -8.786 1.396) 8.896 57.029 ( -0.000 -2.242 2.293) 3.207 57.275 ( 0.000 -1.327 -2.471) 2.805 57.506 ( 0.000 10.078 -3.294) 10.603 57.777 ( 0.000 3.280 -1.257) 3.513 57.972 ( 0.000 9.257 -3.124) 9.770 ======================= Grid point 203 (70/85) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 2.868 -8.896 20.156) 22.218 2.194 ( -0.116 -6.250 7.045) 9.418 2.634 ( -6.982 -3.642 -1.810) 8.080 2.803 ( 7.137 1.168 8.121) 10.874 3.499 ( -1.957 6.478 -9.470) 11.639 3.534 ( -4.072 7.689 -5.361) 10.219 4.477 ( -0.844 -33.731 9.454) 35.041 5.350 ( -3.490 -7.417 -7.990) 11.447 5.672 ( -1.089 -7.384 5.061) 9.018 5.757 ( 3.390 0.537 0.265) 3.442 5.930 ( -11.327 1.351 -1.381) 11.491 6.309 ( -5.056 -2.697 -8.794) 10.497 6.385 ( -6.850 2.607 3.902) 8.304 6.491 ( -7.978 -0.423 0.577) 8.010 6.945 ( 13.125 -3.367 8.811) 16.163 7.638 ( 1.167 5.791 -7.662) 9.675 8.308 ( -3.058 5.327 7.575) 9.753 8.804 ( 4.187 2.688 -3.780) 6.249 9.037 ( -5.637 16.296 4.535) 17.830 9.212 ( 2.676 12.475 4.686) 13.592 9.392 ( 9.086 -3.315 -13.921) 16.951 9.726 ( 12.215 1.433 -11.422) 16.784 11.870 ( 1.413 0.241 1.985) 2.448 11.953 ( 4.472 2.573 -1.110) 5.277 12.125 ( 1.449 -3.095 2.536) 4.255 12.455 ( -3.880 2.077 -5.807) 7.286 12.764 ( 1.391 7.112 2.499) 7.666 12.932 ( 0.562 7.259 -2.563) 7.718 13.747 ( -0.410 -5.422 9.065) 10.571 14.358 ( -0.900 -5.684 -3.195) 6.582 14.483 ( 2.080 -1.299 6.400) 6.853 14.636 ( -0.250 0.850 1.566) 1.799 14.925 ( -1.126 -2.370 -5.527) 6.118 15.202 ( -1.535 2.974 -8.103) 8.767 16.527 ( 0.435 0.823 1.781) 2.009 16.551 ( 0.612 1.488 0.169) 1.618 21.236 ( 0.070 -2.168 1.176) 2.467 21.309 ( -1.626 -1.632 -0.908) 2.477 21.823 ( 0.296 -3.415 2.035) 3.987 21.927 ( -1.405 -0.789 -0.020) 1.612 22.068 ( -0.370 2.075 1.738) 2.732 22.119 ( -0.722 2.891 0.715) 3.064 22.430 ( 0.032 -1.311 0.015) 1.311 22.500 ( 1.517 -0.016 -0.391) 1.566 22.516 ( 0.654 -0.435 -2.126) 2.266 22.553 ( -0.490 1.285 -1.498) 2.034 23.101 ( 0.015 -0.340 0.201) 0.395 23.119 ( -1.869 -0.299 -0.232) 1.907 23.396 ( 1.298 -1.718 3.301) 3.941 23.580 ( 0.544 1.263 2.196) 2.591 23.611 ( -0.500 -1.422 -2.450) 2.876 23.714 ( -0.436 0.516 -1.378) 1.534 24.039 ( -0.329 0.293 0.422) 0.610 24.043 ( 0.398 0.061 0.374) 0.550 49.863 ( -2.138 -24.438 18.074) 30.471 49.874 ( -1.963 -24.602 17.522) 30.267 50.543 ( -10.655 -7.589 1.836) 13.210 50.632 ( -11.864 -9.505 0.780) 15.222 51.212 ( -12.247 3.573 -0.532) 12.769 51.590 ( -3.718 3.196 -10.268) 11.378 56.783 ( 4.325 -4.844 7.828) 10.171 57.103 ( 7.608 -1.311 3.691) 8.557 57.265 ( 3.415 -0.530 -2.175) 4.083 57.549 ( -0.512 9.840 -3.130) 10.339 57.803 ( 1.681 2.871 -0.438) 3.356 58.001 ( -0.870 8.629 -3.706) 9.431 ======================= Grid point 204 (71/85) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 7.474 -8.202 17.035) 20.330 2.203 ( -5.905 -3.887 7.363) 10.208 2.517 ( -7.982 2.481 3.289) 8.983 2.972 ( 10.265 -3.899 -0.516) 10.992 3.378 ( -6.796 3.686 -6.845) 10.326 3.437 ( -4.274 4.093 -8.812) 10.614 4.387 ( -0.026 -23.730 16.906) 29.136 5.050 ( -8.414 -8.285 -18.766) 22.172 5.687 ( -2.961 -4.162 8.020) 9.509 5.749 ( -13.252 1.319 3.119) 13.678 5.811 ( 5.142 -3.269 -1.529) 6.281 6.076 ( -5.375 -3.870 -11.896) 13.616 6.305 ( -13.803 3.776 4.645) 15.045 6.445 ( 4.770 -5.677 -2.973) 7.989 7.171 ( 5.812 -4.034 13.446) 15.194 7.613 ( 0.288 6.622 -10.709) 12.595 8.329 ( -1.907 -6.028 6.612) 9.148 8.670 ( -5.320 -5.072 -13.569) 15.432 9.159 ( -8.484 18.490 11.469) 23.354 9.429 ( -1.249 17.817 12.854) 22.005 9.572 ( 26.469 5.410 -9.700) 28.705 9.867 ( 20.731 6.891 -11.892) 24.873 11.925 ( 1.891 0.959 2.672) 3.411 12.022 ( 4.663 1.785 -2.791) 5.720 12.190 ( 5.955 -1.066 3.967) 7.235 12.354 ( -5.037 4.517 -5.586) 8.774 12.857 ( 1.446 2.759 3.266) 4.513 12.955 ( -0.731 4.799 -2.232) 5.343 13.809 ( -0.197 -4.290 10.011) 10.894 14.208 ( -1.988 -4.963 -11.219) 12.428 14.573 ( 2.161 -1.741 6.489) 7.058 14.708 ( 0.733 0.083 7.995) 8.029 14.826 ( -1.613 -0.710 -5.452) 5.730 15.087 ( -2.971 1.900 -10.081) 10.680 16.571 ( 1.381 1.364 2.109) 2.866 16.584 ( 0.993 2.061 0.827) 2.432 21.234 ( 0.545 -2.103 0.767) 2.304 21.258 ( -2.811 -1.121 -0.702) 3.107 21.822 ( -0.142 -2.817 2.083) 3.506 21.888 ( -1.640 -1.239 -1.439) 2.509 22.084 ( -1.129 -0.203 1.615) 1.981 22.122 ( -1.490 1.019 -0.248) 1.822 22.428 ( -0.645 -0.087 1.368) 1.515 22.502 ( 1.487 -0.315 -2.210) 2.682 22.526 ( 0.668 1.686 0.044) 1.814 22.554 ( 1.742 1.241 -1.146) 2.427 23.082 ( -2.678 -0.638 0.519) 2.802 23.097 ( 0.103 -0.965 -0.298) 1.015 23.443 ( 1.736 -0.948 3.099) 3.677 23.558 ( -1.119 -0.724 -3.124) 3.397 23.623 ( 0.827 0.396 2.277) 2.454 23.694 ( -0.657 0.459 -1.622) 1.809 24.039 ( -0.810 0.197 0.545) 0.996 24.052 ( 0.757 -0.230 -0.121) 0.801 49.786 ( -6.212 -27.171 15.968) 32.122 49.836 ( -1.728 -24.380 14.613) 28.477 50.216 ( -20.109 -12.755 -5.799) 24.509 50.264 ( -21.902 -14.147 -9.212) 27.653 51.060 ( -17.728 5.613 7.584) 20.083 51.425 ( -1.301 -0.731 -11.812) 11.906 56.928 ( 5.653 -1.796 8.585) 10.435 57.186 ( 6.039 -3.106 -5.477) 8.724 57.385 ( 9.724 3.477 5.859) 11.874 57.569 ( -2.112 9.624 -4.130) 10.683 57.870 ( 4.435 2.058 2.104) 5.322 58.000 ( -1.939 7.389 -4.373) 8.802 ======================= Grid point 205 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -14.819 2.037 1.208) 15.007 2.318 ( 11.603 -6.777 4.062) 14.038 2.547 ( -10.693 2.819 16.414) 19.791 2.951 ( 9.072 -6.511 -19.121) 22.143 3.235 ( -12.189 0.167 3.144) 12.589 3.379 ( 4.207 -2.699 -0.477) 5.020 4.451 ( -4.389 -7.234 14.642) 16.911 4.660 ( -1.133 -7.948 -17.576) 19.323 5.584 ( -14.772 1.260 6.531) 16.200 5.753 ( -0.490 -6.309 8.820) 10.855 5.836 ( 5.900 -5.187 -1.582) 8.014 5.859 ( -3.746 -2.459 -10.941) 11.823 6.216 ( -10.553 1.977 5.757) 12.182 6.442 ( 7.596 -8.585 -3.063) 11.865 7.293 ( -9.232 3.496 7.283) 12.268 7.511 ( 3.360 -5.242 -6.051) 8.682 8.365 ( 1.020 -6.569 0.880) 6.706 8.402 ( -1.655 -8.749 -4.694) 10.066 9.312 ( -14.254 22.696 13.621) 30.064 9.707 ( -4.202 21.294 12.694) 25.144 9.859 ( 29.308 2.785 -13.931) 32.570 10.100 ( 23.016 9.561 -13.716) 28.448 11.984 ( 0.392 1.834 1.870) 2.648 12.035 ( 2.135 0.730 -3.772) 4.396 12.274 ( -4.149 5.873 -4.346) 8.402 12.353 ( 10.611 0.625 3.603) 11.223 12.902 ( -2.743 -2.243 3.840) 5.225 12.940 ( 0.086 0.617 -1.845) 1.947 13.903 ( 1.139 -1.941 10.453) 10.692 14.002 ( -3.642 -1.895 -13.119) 13.747 14.654 ( 0.193 -0.769 4.501) 4.570 14.700 ( -0.451 -1.029 -4.368) 4.510 14.869 ( 2.169 -0.931 10.533) 10.794 14.936 ( -3.850 0.965 -10.102) 10.854 16.621 ( 0.936 2.292 0.096) 2.478 16.631 ( 2.702 1.799 1.156) 3.446 21.204 ( -3.202 -0.473 -0.193) 3.242 21.237 ( 1.331 -1.923 0.487) 2.389 21.811 ( -2.382 -0.863 0.759) 2.645 21.848 ( 0.751 -2.310 -0.892) 2.588 22.067 ( -3.077 -1.727 1.789) 3.956 22.098 ( -0.481 -1.478 -0.637) 1.680 22.438 ( -1.834 1.459 2.292) 3.278 22.495 ( 0.340 0.299 -1.193) 1.276 22.551 ( 1.456 2.478 -0.770) 2.976 22.590 ( 3.607 0.754 -1.033) 3.827 23.048 ( -2.899 -0.727 1.363) 3.284 23.087 ( 0.571 -1.702 -0.439) 1.848 23.486 ( -0.644 0.448 0.374) 0.869 23.510 ( 0.931 -0.484 -1.114) 1.531 23.658 ( 0.425 -0.331 1.806) 1.884 23.667 ( -0.700 0.114 -1.521) 1.678 24.033 ( -1.190 0.240 0.658) 1.381 24.058 ( 1.006 -0.439 -0.573) 1.239 49.549 ( -24.511 -16.901 2.117) 29.848 49.675 ( -26.988 -11.440 -8.564) 30.538 49.743 ( -1.409 -27.696 8.453) 28.992 49.861 ( -0.394 -24.688 4.955) 25.183 51.001 ( -17.759 6.142 16.305) 24.879 51.312 ( 2.441 -2.332 -7.860) 8.555 57.059 ( 3.371 -0.408 4.162) 5.371 57.153 ( 4.805 -1.316 -9.292) 10.543 57.543 ( -3.834 10.103 -3.557) 11.377 57.626 ( 9.434 2.235 3.954) 10.470 57.972 ( -2.324 6.123 -3.929) 7.637 58.001 ( 5.920 1.607 4.285) 7.483 ======================= Grid point 212 (73/85) ======================= q-point: (-0.44 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.000 -13.856 15.525) 20.809 2.279 ( -0.000 -1.381 11.604) 11.686 2.691 ( -0.000 -0.253 5.522) 5.528 2.791 ( -0.000 -1.928 -0.319) 1.954 3.421 ( 0.000 4.586 -13.973) 14.707 3.548 ( 0.000 6.660 -8.077) 10.469 4.379 ( -0.000 -28.931 17.538) 33.832 5.212 ( 0.000 -9.290 -10.651) 14.133 5.700 ( 0.000 -2.128 -4.350) 4.842 5.703 ( -0.000 -5.806 8.540) 10.326 5.959 ( 0.000 -0.478 -4.494) 4.520 6.210 ( 0.000 -4.108 -13.486) 14.098 6.358 ( -0.000 -3.621 -3.130) 4.786 6.672 ( 0.000 3.143 1.004) 3.300 6.911 ( -0.000 -2.461 11.878) 12.131 7.596 ( 0.000 4.647 -3.241) 5.666 8.448 ( -0.000 3.095 3.343) 4.556 8.774 ( 0.000 5.334 -4.079) 6.715 9.069 ( 0.000 -7.000 -14.174) 15.808 9.387 ( 0.000 18.706 11.538) 21.978 9.391 ( 0.000 22.146 10.429) 24.479 9.520 ( 0.000 0.785 -9.196) 9.230 11.897 ( -0.000 0.436 3.948) 3.972 11.933 ( 0.000 2.344 -0.486) 2.394 12.124 ( -0.000 -2.035 2.871) 3.519 12.444 ( 0.000 4.074 -5.558) 6.891 12.821 ( 0.000 4.855 1.415) 5.057 12.958 ( 0.000 7.694 -3.405) 8.414 13.818 ( -0.000 -6.666 11.713) 13.477 14.235 ( 0.000 -6.327 -9.858) 11.714 14.538 ( -0.000 -1.731 7.639) 7.833 14.699 ( -0.000 0.236 7.732) 7.736 14.852 ( 0.000 -0.998 -6.447) 6.524 15.128 ( 0.000 2.861 -10.988) 11.354 16.552 ( -0.000 1.302 1.709) 2.148 16.570 ( 0.000 2.279 1.010) 2.493 21.227 ( -0.000 -2.747 0.799) 2.861 21.299 ( -0.000 -1.116 -0.902) 1.435 21.816 ( -0.000 -3.246 2.001) 3.813 21.928 ( -0.000 -1.169 -0.509) 1.275 22.092 ( 0.000 1.015 0.352) 1.074 22.142 ( 0.000 1.334 -0.956) 1.641 22.433 ( -0.000 -0.277 1.523) 1.547 22.482 ( 0.000 -0.204 -0.390) 0.440 22.487 ( 0.000 0.063 -1.643) 1.644 22.558 ( 0.000 2.049 -0.659) 2.153 23.093 ( -0.000 -1.065 -0.522) 1.186 23.126 ( 0.000 0.008 -0.580) 0.580 23.415 ( -0.000 -2.093 4.271) 4.756 23.576 ( 0.000 -0.697 -2.849) 2.933 23.609 ( -0.000 0.626 2.280) 2.364 23.704 ( 0.000 0.665 -1.844) 1.960 24.041 ( -0.000 -0.364 -0.042) 0.367 24.050 ( -0.000 0.412 0.536) 0.676 49.848 ( -0.000 -28.187 13.535) 31.269 49.851 ( -0.000 -27.638 14.647) 31.279 50.537 ( -0.000 -9.751 -3.584) 10.388 50.636 ( -0.000 -10.568 -2.191) 10.793 51.310 ( 0.000 1.684 -1.097) 2.010 51.416 ( 0.000 -4.086 -22.802) 23.165 56.859 ( -0.000 -0.580 13.826) 13.838 57.090 ( -0.000 -0.880 5.393) 5.464 57.219 ( 0.000 0.804 -1.690) 1.871 57.598 ( 0.000 9.258 -2.845) 9.685 57.808 ( 0.000 2.682 -0.305) 2.699 58.028 ( 0.000 7.967 -4.491) 9.146 ======================= Grid point 213 (74/85) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 5.653 -13.846 8.426) 17.165 2.364 ( -4.511 4.103 5.173) 7.996 2.713 ( 4.364 -6.505 -9.931) 12.648 2.800 ( -4.646 1.653 14.952) 15.744 3.300 ( 1.589 -1.791 -9.538) 9.834 3.469 ( -4.136 4.913 -8.165) 10.388 4.417 ( 2.073 -19.533 20.598) 28.462 4.938 ( -10.920 -7.174 -13.399) 18.715 5.636 ( 6.086 -8.232 -6.972) 12.386 5.770 ( -0.062 -4.356 10.696) 11.549 5.896 ( -3.608 1.003 -1.730) 4.125 5.982 ( -5.416 -4.127 -12.417) 14.162 6.281 ( 2.190 -5.736 -6.272) 8.777 6.570 ( -13.533 2.788 1.378) 13.886 7.131 ( 13.489 -5.203 9.223) 17.149 7.597 ( -4.078 6.034 -3.218) 7.962 8.415 ( -6.253 -6.562 4.583) 10.157 8.629 ( -10.518 0.536 -9.004) 13.856 9.091 ( 22.712 -1.304 -9.321) 24.585 9.531 ( 15.308 5.085 -10.657) 19.333 9.636 ( -8.061 24.515 14.022) 29.370 9.760 ( 1.055 23.496 14.800) 27.789 11.951 ( 1.001 0.779 2.770) 3.047 11.974 ( 2.199 2.374 1.196) 3.450 12.165 ( 2.679 -0.870 3.822) 4.748 12.399 ( -3.597 6.700 -5.199) 9.212 12.880 ( 1.797 2.351 1.687) 3.406 12.962 ( -0.314 3.720 -4.205) 5.622 13.901 ( -0.432 -6.314 13.073) 14.524 14.065 ( -1.092 -3.758 -11.502) 12.150 14.614 ( 1.076 -2.527 7.274) 7.775 14.757 ( -2.133 0.007 -3.543) 4.135 14.814 ( 1.841 -0.865 7.185) 7.467 15.009 ( -1.346 2.251 -12.157) 12.437 16.585 ( 0.755 1.746 1.020) 2.159 16.604 ( 0.336 2.987 0.569) 3.059 21.213 ( 0.424 -2.984 0.461) 3.049 21.273 ( -1.468 -0.481 -0.792) 1.736 21.816 ( 0.523 -2.983 1.587) 3.419 21.894 ( -2.183 -1.096 -0.951) 2.622 22.098 ( 0.121 -0.650 0.091) 0.668 22.120 ( -0.425 -0.952 -2.068) 2.316 22.444 ( 0.710 -0.942 -0.457) 1.265 22.478 ( -0.284 0.945 0.723) 1.223 22.504 ( 1.881 1.382 0.217) 2.344 22.570 ( -0.709 2.878 0.255) 2.975 23.074 ( 0.274 -1.987 -1.032) 2.256 23.110 ( -1.330 -0.157 -0.247) 1.362 23.453 ( 1.006 -1.905 3.840) 4.403 23.538 ( -0.900 0.461 -2.644) 2.831 23.640 ( 0.506 -0.117 2.120) 2.182 23.685 ( -0.345 0.677 -2.072) 2.207 24.037 ( 0.418 -0.725 -0.418) 0.935 24.056 ( -0.457 0.499 0.544) 0.868 49.737 ( -0.545 -30.672 9.702) 32.175 49.770 ( 0.903 -29.137 10.880) 31.115 50.282 ( -16.587 -11.973 -8.804) 22.271 50.346 ( -18.326 -13.121 -9.321) 24.390 51.137 ( 8.662 -9.964 -22.441) 26.037 51.289 ( -3.316 1.457 1.999) 4.137 57.027 ( -0.681 2.334 13.713) 13.927 57.109 ( -2.214 0.121 -0.583) 2.292 57.322 ( 10.583 2.252 4.326) 11.653 57.627 ( -1.310 9.326 -3.734) 10.131 57.852 ( 3.417 1.812 1.732) 4.238 58.026 ( -1.114 6.873 -5.058) 8.606 ======================= Grid point 222 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.000 -17.662 5.568) 18.519 2.396 ( 0.000 -10.730 -23.241) 25.598 2.514 ( 0.000 11.027 5.118) 12.157 3.096 ( -0.000 3.439 22.077) 22.344 3.130 ( -0.000 -11.132 -8.197) 13.824 3.435 ( 0.000 6.659 -10.167) 12.154 4.446 ( -0.000 -14.034 9.500) 16.947 4.924 ( -0.000 -5.211 3.679) 6.379 5.387 ( -0.000 -11.969 -12.319) 17.176 5.832 ( 0.000 -5.277 -11.693) 12.829 5.863 ( -0.000 -4.778 11.692) 12.631 5.897 ( 0.000 0.915 -1.822) 2.039 6.170 ( 0.000 -2.622 -7.493) 7.939 6.674 ( 0.000 2.695 -5.125) 5.790 7.071 ( -0.000 -7.250 9.602) 12.032 7.645 ( 0.000 2.196 -3.513) 4.143 8.488 ( -0.000 -7.942 9.486) 12.372 8.668 ( 0.000 1.098 -8.962) 9.029 8.773 ( 0.000 0.425 -7.253) 7.265 9.333 ( 0.000 4.435 -10.076) 11.009 10.082 ( 0.000 29.550 11.920) 31.863 10.101 ( 0.000 23.260 17.917) 29.361 11.963 ( 0.000 2.324 -0.180) 2.331 12.021 ( -0.000 -0.182 6.114) 6.117 12.191 ( -0.000 0.693 3.954) 4.014 12.437 ( 0.000 9.595 -4.047) 10.414 12.891 ( -0.000 -0.724 0.557) 0.913 12.927 ( 0.000 2.223 -5.473) 5.908 13.933 ( 0.000 -0.966 -9.891) 9.938 14.007 ( -0.000 -6.975 14.772) 16.336 14.645 ( -0.000 -2.410 1.953) 3.102 14.741 ( 0.000 0.769 -0.316) 0.832 14.875 ( -0.000 -0.277 0.908) 0.949 14.904 ( 0.000 -0.447 -4.177) 4.201 16.601 ( 0.000 2.052 0.153) 2.058 16.628 ( 0.000 3.818 -0.923) 3.928 21.187 ( -0.000 -3.531 0.170) 3.535 21.272 ( 0.000 0.154 -0.841) 0.855 21.800 ( -0.000 -2.844 0.480) 2.884 21.898 ( -0.000 -0.916 0.165) 0.930 22.064 ( -0.000 -3.876 -2.259) 4.487 22.098 ( 0.000 0.610 -1.555) 1.670 22.420 ( -0.000 -2.022 -0.761) 2.160 22.462 ( -0.000 -1.117 -0.704) 1.320 22.552 ( 0.000 4.304 2.831) 5.152 22.607 ( 0.000 3.518 0.878) 3.625 23.037 ( -0.000 -3.001 -1.657) 3.428 23.113 ( 0.000 -0.182 -0.560) 0.588 23.467 ( -0.000 -1.769 2.524) 3.082 23.532 ( 0.000 1.173 -0.683) 1.357 23.654 ( -0.000 -0.707 1.546) 1.700 23.669 ( 0.000 0.825 -2.024) 2.185 24.021 ( -0.000 -1.078 -0.595) 1.231 24.070 ( 0.000 0.779 0.475) 0.912 49.565 ( -0.000 -31.439 3.265) 31.608 49.608 ( -0.000 -32.159 6.026) 32.719 50.237 ( 0.000 -9.212 -10.315) 13.830 50.287 ( -0.000 -17.708 -6.350) 18.812 50.623 ( 0.000 -15.850 -29.749) 33.708 51.292 ( -0.000 -2.057 -0.202) 2.067 57.201 ( 0.000 6.962 3.827) 7.945 57.230 ( -0.000 -0.136 7.583) 7.585 57.267 ( -0.000 3.024 8.965) 9.461 57.664 ( 0.000 8.816 -4.117) 9.730 57.857 ( -0.000 1.486 2.056) 2.537 58.027 ( 0.000 5.987 -5.143) 7.893 ======================= Grid point 273 (76/85) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 0.000 -7.800) 7.800 2.180 ( -0.000 -0.000 16.033) 16.033 2.180 ( -0.000 -0.000 16.033) 16.033 3.297 ( -0.000 0.000 -5.215) 5.215 3.297 ( 0.000 0.000 -5.215) 5.215 3.303 ( -0.000 -0.000 7.769) 7.769 5.554 ( -0.000 -0.000 -2.135) 2.135 5.554 ( 0.000 0.000 -2.135) 2.135 5.711 ( -0.000 0.000 4.304) 4.304 5.711 ( 0.000 0.000 4.304) 4.304 6.064 ( -0.000 -0.000 9.560) 9.560 6.064 ( -0.000 -0.000 9.560) 9.560 6.067 ( -0.000 -0.000 20.018) 20.018 6.732 ( -0.000 0.000 -3.925) 3.925 6.732 ( 0.000 0.000 -3.925) 3.925 7.390 ( -0.000 -0.000 4.484) 4.484 8.167 ( 0.000 0.000 -0.651) 0.651 8.480 ( 0.000 0.000 -0.128) 0.128 8.893 ( -0.000 -0.000 -6.278) 6.278 8.893 ( 0.000 0.000 -6.278) 6.278 10.004 ( 0.000 0.000 -21.488) 21.488 10.004 ( 0.000 0.000 -21.488) 21.488 11.839 ( 0.000 0.000 -1.735) 1.735 11.878 ( 0.000 0.000 -1.533) 1.533 12.304 ( -0.000 0.000 2.681) 2.681 12.304 ( 0.000 0.000 2.681) 2.681 12.730 ( 0.000 -0.000 -4.813) 4.813 12.730 ( 0.000 0.000 -4.813) 4.813 13.714 ( -0.000 -0.000 5.392) 5.392 14.360 ( -0.000 -0.000 3.236) 3.236 14.360 ( -0.000 0.000 3.236) 3.236 14.725 ( -0.000 -0.000 0.876) 0.876 15.173 ( -0.000 -0.000 -1.652) 1.652 15.173 ( 0.000 0.000 -1.652) 1.652 16.514 ( 0.000 0.000 -2.151) 2.151 16.573 ( 0.000 0.000 -5.056) 5.056 21.247 ( -0.000 -0.000 2.498) 2.498 21.395 ( 0.000 0.000 -0.766) 0.766 21.877 ( -0.000 -0.000 3.415) 3.415 21.877 ( -0.000 0.000 3.415) 3.415 21.988 ( 0.000 -0.000 0.573) 0.573 21.988 ( 0.000 0.000 0.573) 0.573 22.461 ( -0.000 0.000 1.009) 1.009 22.461 ( 0.000 0.000 1.009) 1.009 22.610 ( 0.000 0.000 -3.685) 3.685 22.610 ( 0.000 0.000 -3.685) 3.685 23.066 ( -0.000 -0.000 2.589) 2.589 23.151 ( 0.000 0.000 -0.369) 0.369 23.424 ( -0.000 -0.000 1.854) 1.854 23.424 ( 0.000 0.000 1.854) 1.854 23.718 ( -0.000 0.000 -0.814) 0.814 23.718 ( 0.000 0.000 -0.814) 0.814 24.013 ( -0.000 -0.000 1.185) 1.185 24.030 ( 0.000 0.000 -0.419) 0.419 49.985 ( -0.000 -0.000 26.692) 26.692 49.985 ( -0.000 -0.000 26.692) 26.692 50.380 ( -0.000 -0.000 15.556) 15.556 51.100 ( -0.000 0.000 13.804) 13.804 51.100 ( 0.000 0.000 13.804) 13.804 51.206 ( -0.000 -0.000 1.305) 1.305 57.044 ( -0.000 -0.000 -2.184) 2.184 57.044 ( 0.000 0.000 -2.184) 2.184 57.306 ( 0.000 -0.000 -5.389) 5.389 57.306 ( 0.000 0.000 -5.389) 5.389 57.733 ( 0.000 0.000 -1.033) 1.033 57.826 ( 0.000 0.000 -2.873) 2.873 ======================= Grid point 274 (77/85) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -3.385 -1.954 7.428) 8.394 2.229 ( -4.538 -2.620 12.279) 13.351 2.512 ( 9.191 5.307 15.609) 18.876 3.013 ( -13.079 -7.551 -6.545) 16.459 3.374 ( 3.111 1.796 -1.680) 3.966 3.384 ( 5.466 3.156 -5.522) 8.386 5.331 ( -16.075 -9.281 -1.180) 18.599 5.585 ( -6.369 -3.677 1.542) 7.514 5.634 ( 4.319 2.494 0.713) 5.038 5.800 ( -4.740 -2.737 3.897) 6.719 6.062 ( -5.757 -3.324 4.285) 7.909 6.081 ( -6.308 -3.642 13.160) 15.041 6.382 ( 4.211 2.431 9.726) 10.873 6.513 ( -8.280 -4.781 -5.269) 10.917 6.924 ( 16.190 9.347 -2.348) 18.841 7.439 ( 1.315 0.759 -1.585) 2.195 8.162 ( 0.232 0.134 4.172) 4.180 8.604 ( 14.419 8.325 -2.174) 16.791 8.753 ( -5.431 -3.135 0.662) 6.306 8.983 ( 8.959 5.173 -5.099) 11.534 9.720 ( -3.558 -2.054 -20.649) 21.054 9.825 ( 3.658 2.112 -16.443) 16.977 11.838 ( 1.268 0.732 -0.605) 1.585 11.887 ( 2.877 1.661 -1.211) 3.536 12.233 ( -4.264 -2.462 2.733) 5.631 12.467 ( 7.092 4.095 3.458) 8.889 12.569 ( -5.662 -3.269 -5.567) 8.587 12.788 ( 5.970 3.447 -3.905) 7.923 13.767 ( -1.845 -1.065 7.295) 7.599 14.401 ( -0.789 -0.456 5.326) 5.404 14.427 ( 1.054 0.609 6.721) 6.830 14.688 ( -0.956 -0.552 -5.464) 5.575 15.078 ( -3.179 -1.835 -4.551) 5.847 15.186 ( 1.938 1.119 -4.675) 5.183 16.503 ( 0.194 0.112 -0.019) 0.225 16.536 ( 0.484 0.279 -2.322) 2.388 21.264 ( -0.779 -0.450 1.971) 2.166 21.370 ( -1.503 -0.868 -1.056) 2.032 21.891 ( -1.028 -0.594 2.634) 2.889 21.944 ( 1.460 0.843 3.522) 3.905 21.951 ( -2.096 -1.210 0.743) 2.531 22.041 ( 2.128 1.228 0.794) 2.582 22.457 ( -0.368 -0.213 0.273) 0.505 22.488 ( 1.277 0.737 0.312) 1.507 22.563 ( -0.776 -0.448 -3.212) 3.335 22.570 ( -0.168 -0.097 -3.275) 3.281 23.091 ( 0.157 0.091 1.524) 1.534 23.138 ( -0.932 -0.538 -0.499) 1.186 23.415 ( -1.314 -0.759 2.634) 3.040 23.494 ( 2.287 1.321 2.631) 3.728 23.685 ( -1.229 -0.710 -1.882) 2.357 23.714 ( 0.169 0.097 -1.262) 1.277 24.028 ( 0.308 0.178 1.029) 1.089 24.029 ( 0.075 0.043 0.148) 0.172 50.168 ( -8.730 -5.041 23.504) 25.575 50.199 ( -7.781 -4.492 24.656) 26.242 50.525 ( -3.598 -2.077 14.651) 15.229 50.913 ( -18.369 -10.605 7.654) 22.549 51.237 ( -1.674 -0.967 -3.249) 3.781 51.398 ( 7.533 4.349 5.737) 10.420 56.934 ( -4.118 -2.377 -0.328) 4.766 57.076 ( 1.431 0.826 2.403) 2.916 57.303 ( 5.075 2.930 -5.698) 8.173 57.310 ( 4.788 2.764 -4.205) 6.946 57.740 ( 1.546 0.892 -0.276) 1.806 57.828 ( 2.724 1.573 -2.453) 3.989 ======================= Grid point 275 (78/85) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -3.906 -2.255 20.619) 21.106 2.295 ( -0.065 -0.038 7.034) 7.034 2.683 ( -14.252 -8.228 -7.456) 18.067 2.852 ( 9.185 5.303 15.026) 18.392 3.366 ( 3.297 1.904 -10.476) 11.146 3.367 ( -0.681 -0.393 -5.128) 5.188 5.008 ( -18.612 -10.746 2.502) 21.636 5.475 ( -5.600 -3.233 -5.236) 8.320 5.665 ( -11.841 -6.836 4.052) 14.260 5.737 ( 3.474 2.006 2.918) 4.960 5.923 ( -10.268 -5.928 0.610) 11.872 6.112 ( -5.284 -3.051 10.856) 12.453 6.314 ( -5.461 -3.153 -9.262) 11.205 6.499 ( 1.276 0.736 5.212) 5.416 7.222 ( 14.327 8.272 3.550) 16.920 7.382 ( -2.387 -1.378 -5.156) 5.846 8.309 ( 6.553 3.783 8.760) 11.576 8.701 ( -4.245 -2.451 5.471) 7.346 8.848 ( 13.502 7.795 -10.568) 18.835 9.067 ( 3.539 2.043 0.003) 4.087 9.503 ( 5.758 3.325 -13.436) 14.991 9.802 ( 12.100 6.986 -13.692) 19.562 11.869 ( 2.252 1.300 0.159) 2.605 11.955 ( 5.963 3.443 -1.680) 7.088 12.213 ( -1.421 -0.820 3.311) 3.695 12.406 ( -5.047 -2.914 -5.771) 8.202 12.634 ( 6.609 3.816 3.905) 8.572 12.852 ( 4.769 2.753 -2.524) 6.057 13.812 ( -2.968 -1.714 8.839) 9.481 14.416 ( -2.905 -1.677 0.022) 3.354 14.547 ( 1.886 1.089 9.871) 10.108 14.604 ( -0.245 -0.141 -4.336) 4.345 14.958 ( -3.015 -1.741 -6.725) 7.573 15.138 ( 0.218 0.126 -7.420) 7.424 16.521 ( 0.769 0.444 1.512) 1.754 16.538 ( 1.187 0.685 -0.311) 1.405 21.267 ( -0.969 -0.559 1.487) 1.861 21.319 ( -2.705 -1.562 -1.084) 3.306 21.884 ( -2.338 -1.350 1.582) 3.130 21.932 ( -0.844 -0.487 0.349) 1.035 22.007 ( 1.322 0.763 3.208) 3.553 22.078 ( 0.620 0.358 1.184) 1.384 22.454 ( -0.070 -0.041 -0.270) 0.282 22.507 ( -0.325 -0.188 -0.957) 1.028 22.527 ( 1.271 0.734 -1.286) 1.951 22.535 ( 0.275 0.159 -2.817) 2.835 23.105 ( 0.057 0.033 0.700) 0.703 23.108 ( -1.947 -1.124 -0.025) 2.248 23.433 ( -0.156 -0.090 2.860) 2.865 23.563 ( 1.826 1.054 2.895) 3.581 23.632 ( -1.591 -0.919 -2.937) 3.464 23.700 ( -0.056 -0.032 -1.456) 1.457 24.032 ( -0.186 -0.108 0.413) 0.465 24.045 ( 0.530 0.306 0.616) 0.868 50.216 ( -11.240 -6.490 18.547) 22.637 50.260 ( -14.617 -8.439 21.284) 27.164 50.558 ( -9.951 -5.745 14.640) 18.611 50.629 ( -20.783 -11.999 5.836) 24.698 51.012 ( -14.523 -8.385 -9.524) 19.286 51.465 ( -0.078 -0.045 -4.785) 4.786 56.939 ( 1.842 1.063 4.860) 5.305 57.190 ( 6.184 3.570 5.513) 9.021 57.332 ( 4.684 2.704 -5.918) 8.018 57.343 ( 4.990 2.881 -6.779) 8.897 57.785 ( 3.161 1.825 0.848) 3.747 57.852 ( 2.707 1.563 -2.644) 4.094 ======================= Grid point 276 (79/85) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -4.589 -2.649 27.271) 27.781 2.300 ( -13.598 -7.851 -3.089) 16.003 2.415 ( 3.425 1.978 -3.243) 5.115 3.168 ( 7.862 4.539 12.054) 15.090 3.261 ( -6.106 -3.526 -0.534) 7.071 3.265 ( 3.037 1.753 -17.669) 18.013 4.729 ( -16.469 -9.508 4.347) 19.507 5.202 ( -9.388 -5.420 -16.882) 20.062 5.491 ( -12.862 -7.426 7.557) 16.663 5.811 ( -6.824 -3.940 8.636) 11.691 5.836 ( 2.731 1.577 3.311) 4.573 6.092 ( -4.956 -2.861 -13.058) 14.257 6.135 ( -3.900 -2.252 8.871) 9.949 6.578 ( 1.792 1.035 4.773) 5.203 7.259 ( -3.999 -2.309 -6.996) 8.382 7.494 ( 8.922 5.151 5.698) 11.773 8.522 ( 4.884 2.820 8.438) 10.149 8.707 ( -3.551 -2.050 6.228) 7.456 8.746 ( -2.787 -1.609 -15.262) 15.598 9.159 ( 2.721 1.571 8.076) 8.666 9.714 ( 24.767 14.299 -7.715) 29.621 9.929 ( 18.182 10.497 -15.070) 25.843 11.917 ( 2.480 1.432 0.403) 2.892 12.037 ( 5.061 2.922 -3.918) 7.036 12.256 ( -0.583 -0.336 -2.072) 2.179 12.280 ( 0.967 0.558 1.302) 1.715 12.791 ( 5.591 3.228 3.981) 7.584 12.897 ( 1.841 1.063 -0.602) 2.210 13.860 ( -2.804 -1.619 9.655) 10.184 14.263 ( -4.982 -2.876 -12.088) 13.387 14.619 ( 0.326 0.188 4.451) 4.467 14.710 ( 2.370 1.368 12.025) 12.332 14.825 ( -2.491 -1.438 -7.639) 8.162 15.033 ( -1.457 -0.841 -9.176) 9.329 16.564 ( 1.852 1.069 1.921) 2.875 16.567 ( 1.681 0.970 0.419) 1.986 21.252 ( -3.283 -1.895 -0.806) 3.875 21.266 ( -0.588 -0.340 1.110) 1.301 21.849 ( -2.784 -1.608 0.653) 3.281 21.917 ( -0.806 -0.465 -0.405) 1.015 22.061 ( 1.026 0.593 2.525) 2.789 22.087 ( -1.449 -0.837 1.718) 2.399 22.443 ( -1.039 -0.600 -0.034) 1.201 22.478 ( -1.103 -0.637 -0.387) 1.331 22.526 ( 2.238 1.292 -2.767) 3.786 22.561 ( 2.805 1.620 -0.663) 3.306 23.070 ( -2.492 -1.439 0.783) 2.982 23.110 ( -0.107 -0.062 0.408) 0.426 23.467 ( 0.388 0.224 2.527) 2.566 23.565 ( -1.547 -0.893 -3.612) 4.030 23.622 ( 1.246 0.719 2.751) 3.105 23.680 ( -0.170 -0.098 -1.630) 1.641 24.030 ( -0.632 -0.365 0.489) 0.878 24.060 ( 0.662 0.382 0.073) 0.768 50.056 ( -24.919 -14.387 5.996) 29.392 50.124 ( -20.270 -11.703 5.495) 24.042 50.313 ( -16.536 -9.547 8.035) 20.716 50.558 ( -11.863 -6.849 23.090) 26.847 50.591 ( -18.522 -10.694 -5.277) 22.029 51.363 ( -2.674 -1.544 -5.325) 6.156 57.072 ( 5.204 3.005 5.200) 7.947 57.294 ( 1.776 1.025 -5.587) 5.952 57.331 ( 3.980 2.298 -10.374) 11.346 57.437 ( 9.683 5.590 5.168) 12.317 57.862 ( 1.753 1.012 -2.926) 3.558 57.881 ( 4.963 2.865 3.216) 6.572 ======================= Grid point 283 (80/85) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -0.000 -4.701 18.607) 19.192 2.367 ( -0.000 -8.164 11.786) 14.337 2.647 ( -0.000 6.052 13.713) 14.989 2.936 ( -0.000 -13.490 -7.432) 15.401 3.321 ( 0.000 7.083 -8.223) 10.853 3.340 ( 0.000 9.814 -8.835) 13.205 5.283 ( -0.000 -26.952 3.409) 27.167 5.558 ( -0.000 -9.709 -0.098) 9.709 5.643 ( 0.000 4.814 1.574) 5.065 5.918 ( 0.000 7.515 -1.709) 7.707 6.009 ( -0.000 -16.657 4.977) 17.384 6.315 ( -0.000 4.798 6.601) 8.160 6.428 ( -0.000 -3.788 -2.776) 4.696 6.668 ( -0.000 7.321 11.508) 13.639 6.693 ( 0.000 0.825 -6.775) 6.825 7.445 ( 0.000 9.439 -7.528) 12.073 8.206 ( -0.000 0.650 6.977) 7.007 8.542 ( 0.000 9.665 -2.869) 10.082 8.862 ( 0.000 5.196 3.443) 6.234 8.925 ( 0.000 5.229 3.641) 6.372 9.499 ( 0.000 -5.215 -18.813) 19.522 9.621 ( 0.000 2.335 -15.870) 16.041 11.834 ( 0.000 1.323 0.232) 1.343 11.868 ( 0.000 1.799 -0.877) 2.002 12.248 ( -0.000 -7.377 3.370) 8.110 12.522 ( 0.000 -4.725 -5.417) 7.188 12.525 ( 0.000 10.366 3.510) 10.944 12.738 ( 0.000 7.529 -4.251) 8.646 13.859 ( -0.000 -2.829 9.757) 10.159 14.485 ( -0.000 -2.898 4.552) 5.396 14.486 ( -0.000 -0.731 8.116) 8.149 14.613 ( 0.000 1.047 -5.975) 6.066 15.010 ( 0.000 -3.774 -6.862) 7.832 15.127 ( 0.000 3.704 -7.894) 8.720 16.510 ( -0.000 0.369 1.075) 1.136 16.521 ( 0.000 0.653 -0.455) 0.796 21.283 ( -0.000 -1.307 1.625) 2.085 21.359 ( -0.000 -1.313 -1.230) 1.799 21.905 ( -0.000 -3.305 2.424) 4.099 21.965 ( -0.000 -1.747 0.701) 1.882 21.995 ( 0.000 3.405 2.930) 4.492 22.049 ( 0.000 2.920 0.446) 2.954 22.458 ( -0.000 -0.908 0.123) 0.917 22.484 ( 0.000 0.597 -0.098) 0.605 22.531 ( 0.000 -0.644 -2.842) 2.914 22.538 ( 0.000 0.295 -2.563) 2.580 23.103 ( -0.000 0.019 0.802) 0.802 23.135 ( 0.000 -0.163 -0.706) 0.724 23.444 ( -0.000 -2.601 3.713) 4.533 23.528 ( -0.000 2.528 3.082) 3.986 23.657 ( 0.000 -1.798 -2.650) 3.202 23.699 ( 0.000 0.962 -2.056) 2.270 24.034 ( -0.000 0.196 0.490) 0.528 24.038 ( -0.000 0.151 0.767) 0.782 50.384 ( -0.000 -15.758 21.073) 26.313 50.425 ( -0.000 -15.763 22.371) 27.367 50.700 ( -0.000 -0.667 11.544) 11.563 51.025 ( -0.000 -15.366 0.632) 15.379 51.192 ( 0.000 3.252 -1.424) 3.550 51.453 ( 0.000 10.433 -3.796) 11.102 56.918 ( -0.000 -7.985 3.350) 8.659 57.083 ( -0.000 -0.520 2.206) 2.266 57.238 ( 0.000 1.571 -3.859) 4.167 57.287 ( 0.000 10.096 -4.056) 10.880 57.739 ( 0.000 1.426 0.289) 1.455 57.818 ( 0.000 5.321 -2.155) 5.740 ======================= Grid point 284 (81/85) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.217 -6.944 22.058) 23.126 2.390 ( -3.515 -6.219 9.715) 12.059 2.694 ( -9.209 -7.753 -4.813) 12.964 2.884 ( 9.265 -0.231 7.436) 11.883 3.249 ( -0.055 8.641 -13.085) 15.681 3.332 ( -0.001 8.136 -7.847) 11.303 5.078 ( -6.635 -26.297 8.596) 28.451 5.407 ( -6.189 -11.032 -7.549) 14.731 5.728 ( 3.788 1.742 3.084) 5.186 5.858 ( -8.928 4.342 -3.096) 10.399 5.933 ( -1.148 -13.307 5.988) 14.638 6.249 ( -6.438 -4.131 -10.406) 12.915 6.385 ( -9.833 4.648 6.496) 12.669 6.525 ( -2.204 -2.889 0.303) 3.646 7.052 ( 17.363 2.406 8.261) 19.378 7.403 ( -2.126 10.211 -9.894) 14.377 8.348 ( 3.605 3.174 9.391) 10.547 8.649 ( 8.419 8.209 -7.558) 13.978 8.900 ( -7.711 8.330 8.412) 14.128 9.105 ( 3.792 8.051 7.499) 11.637 9.283 ( 4.595 -2.375 -13.827) 14.763 9.536 ( 8.612 4.176 -14.487) 17.363 11.863 ( 1.142 2.123 0.914) 2.578 11.898 ( 3.246 2.548 -1.076) 4.265 12.234 ( 0.232 -5.407 3.932) 6.689 12.394 ( -4.678 -2.230 -5.466) 7.532 12.666 ( 2.960 8.853 3.570) 9.994 12.788 ( 4.247 6.526 -3.589) 8.573 13.938 ( -1.941 -3.953 11.643) 12.448 14.371 ( -2.504 -5.068 -10.851) 12.235 14.587 ( 1.531 -1.498 7.945) 8.229 14.669 ( 0.447 2.313 9.608) 9.893 14.887 ( -1.526 -2.436 -8.212) 8.701 15.051 ( -0.089 2.701 -10.331) 10.679 16.531 ( 0.567 0.779 1.189) 1.530 16.534 ( 0.632 1.104 0.506) 1.369 21.283 ( -0.442 -1.756 1.315) 2.238 21.323 ( -1.528 -1.571 -1.190) 2.494 21.901 ( -0.174 -3.374 1.947) 3.900 21.942 ( -1.801 -1.289 -0.239) 2.228 22.050 ( 0.145 2.965 2.215) 3.704 22.083 ( 1.035 2.121 0.200) 2.368 22.450 ( -0.200 -0.914 0.354) 1.000 22.495 ( 1.200 -0.010 -0.721) 1.400 22.498 ( 0.179 -0.245 -1.687) 1.714 22.516 ( -0.452 1.067 -1.566) 1.948 23.109 ( 0.080 -0.256 0.329) 0.424 23.120 ( -0.967 -0.287 -0.423) 1.094 23.467 ( -0.246 -1.842 4.050) 4.456 23.587 ( 0.948 1.423 2.940) 3.401 23.603 ( -0.823 -1.531 -3.382) 3.802 23.682 ( 0.000 0.884 -2.302) 2.465 24.041 ( -0.165 0.168 0.515) 0.567 24.047 ( 0.277 0.070 0.313) 0.424 50.414 ( -5.426 -18.509 16.879) 25.631 50.484 ( -3.311 -22.546 18.951) 29.638 50.707 ( -8.176 -10.007 3.364) 13.353 50.815 ( -11.301 -12.926 -1.366) 17.224 51.132 ( -11.723 5.636 -0.815) 13.033 51.413 ( -0.438 3.574 -11.274) 11.835 56.946 ( 2.529 -4.315 7.475) 8.994 57.154 ( 6.219 -0.733 1.573) 6.457 57.221 ( 2.701 2.129 -3.151) 4.664 57.329 ( -0.204 10.876 -4.418) 11.741 57.773 ( 2.293 1.902 1.168) 3.200 57.841 ( 0.148 5.924 -2.633) 6.485 ======================= Grid point 285 (82/85) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -9.246 -8.633 -3.853) 13.223 2.353 ( 1.526 -6.116 4.001) 7.466 2.601 ( -7.971 3.262 19.956) 21.735 2.948 ( 8.016 -4.309 -16.423) 18.776 3.275 ( 1.248 7.831 1.625) 8.095 3.301 ( 0.600 2.710 0.067) 2.777 4.887 ( -14.479 -15.775 6.675) 22.429 5.048 ( -6.870 -17.420 -11.546) 21.999 5.721 ( -11.361 2.586 1.866) 11.800 5.832 ( 3.905 -0.837 3.238) 5.141 5.925 ( -1.019 -7.686 9.359) 12.154 5.996 ( -5.767 -3.892 -12.187) 14.033 6.324 ( -10.804 1.642 6.430) 12.679 6.533 ( 6.628 -7.044 -0.027) 9.672 7.265 ( -5.099 6.794 -1.769) 8.677 7.419 ( 12.165 3.587 -0.909) 12.716 8.508 ( 3.614 -4.124 9.280) 10.779 8.598 ( -0.907 -2.589 -11.524) 11.846 8.987 ( -9.218 15.446 10.492) 20.824 9.305 ( 2.923 11.547 7.881) 14.283 9.380 ( 19.254 6.707 -6.325) 21.347 9.596 ( 15.901 8.132 -14.624) 23.083 11.913 ( 1.362 2.799 1.179) 3.329 11.955 ( 4.108 2.466 -2.645) 5.473 12.255 ( -4.305 0.081 -4.002) 5.879 12.275 ( 2.883 -2.593 3.765) 5.405 12.811 ( 3.105 6.770 2.846) 7.974 12.861 ( 4.574 4.033 -1.588) 6.301 14.003 ( -3.247 -4.164 12.351) 13.432 14.148 ( -3.877 -4.752 -13.596) 14.916 14.676 ( 0.234 -1.260 7.255) 7.368 14.748 ( -1.460 -1.739 -7.008) 7.367 14.833 ( 1.726 1.489 11.097) 11.328 14.940 ( -0.851 1.449 -11.035) 11.162 16.561 ( 1.056 1.448 0.244) 1.809 16.564 ( 1.465 1.312 0.588) 2.053 21.270 ( -2.581 -1.519 -0.949) 3.142 21.276 ( -0.304 -1.774 1.045) 2.082 21.878 ( -2.877 -1.582 0.110) 3.286 21.905 ( 0.114 -2.729 -0.001) 2.732 22.091 ( -0.149 2.051 1.213) 2.387 22.107 ( 0.461 0.306 0.626) 0.835 22.449 ( -0.459 -0.713 1.114) 1.400 22.477 ( 1.142 -0.025 -2.397) 2.655 22.499 ( -1.224 1.568 -0.073) 1.991 22.529 ( 2.458 0.750 -0.307) 2.588 23.097 ( -1.629 -0.578 0.249) 1.747 23.110 ( 0.228 -0.671 0.191) 0.734 23.497 ( -0.251 -0.964 3.451) 3.592 23.533 ( -1.160 -1.131 -3.864) 4.190 23.643 ( 1.056 0.648 2.692) 2.963 23.663 ( -0.070 0.679 -2.282) 2.382 24.042 ( -0.521 0.055 0.413) 0.667 24.053 ( 0.518 -0.038 -0.166) 0.546 50.285 ( -21.203 -16.062 1.062) 26.621 50.334 ( -18.328 -15.049 4.392) 24.118 50.408 ( -10.682 -19.536 -2.508) 22.407 50.494 ( -3.410 -25.973 3.729) 26.460 51.069 ( -13.972 7.173 13.888) 20.965 51.319 ( 1.545 -0.140 -7.483) 7.642 57.048 ( 3.327 -2.177 5.924) 7.135 57.134 ( 3.075 -1.602 -9.687) 10.289 57.333 ( -2.298 10.527 -3.639) 11.373 57.401 ( 10.096 4.740 4.298) 11.952 57.851 ( -0.397 5.036 -2.896) 5.822 57.868 ( 5.441 2.561 3.408) 6.912 ======================= Grid point 293 (83/85) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.000 -14.530 13.083) 19.553 2.439 ( -0.000 -8.001 3.266) 8.642 2.773 ( 0.000 -2.533 -11.423) 11.700 2.789 ( -0.000 1.432 13.619) 13.694 3.210 ( 0.000 7.382 -5.057) 8.948 3.312 ( 0.000 10.301 -9.405) 13.949 5.017 ( -0.000 -27.600 12.550) 30.320 5.293 ( -0.000 -13.397 -6.935) 15.086 5.712 ( -0.000 -2.208 0.274) 2.225 5.883 ( 0.000 3.039 -5.841) 6.584 5.933 ( -0.000 -9.952 10.039) 14.136 6.149 ( 0.000 -6.132 -11.069) 12.654 6.392 ( -0.000 -5.662 -4.186) 7.041 6.611 ( 0.000 3.793 -1.354) 4.027 7.058 ( -0.000 1.495 13.076) 13.161 7.404 ( 0.000 12.304 -7.561) 14.442 8.474 ( -0.000 4.323 9.908) 10.810 8.593 ( 0.000 9.162 -6.963) 11.508 9.019 ( 0.000 -5.472 -12.177) 13.350 9.173 ( 0.000 14.988 6.522) 16.346 9.264 ( 0.000 9.862 7.586) 12.442 9.374 ( 0.000 6.963 -5.500) 8.874 11.886 ( 0.000 2.536 -0.661) 2.620 11.894 ( 0.000 3.533 1.910) 4.016 12.229 ( -0.000 -5.821 4.410) 7.303 12.358 ( 0.000 -0.885 -5.083) 5.160 12.739 ( 0.000 7.069 0.869) 7.123 12.788 ( 0.000 9.474 -1.950) 9.672 14.056 ( -0.000 -5.381 13.486) 14.520 14.204 ( 0.000 -5.749 -13.210) 14.407 14.665 ( -0.000 -2.293 9.293) 9.571 14.788 ( 0.000 -1.308 -8.312) 8.414 14.795 ( -0.000 1.160 11.028) 11.089 14.949 ( 0.000 3.106 -12.207) 12.596 16.544 ( 0.000 1.197 0.450) 1.279 16.547 ( 0.000 1.583 0.436) 1.643 21.281 ( -0.000 -2.610 1.143) 2.849 21.309 ( -0.000 -1.472 -1.162) 1.876 21.892 ( -0.000 -3.582 1.568) 3.910 21.943 ( -0.000 -1.466 -0.574) 1.575 22.073 ( 0.000 1.603 -0.189) 1.615 22.101 ( 0.000 2.864 -0.194) 2.871 22.457 ( -0.000 -0.512 1.521) 1.605 22.472 ( 0.000 -0.459 -1.563) 1.629 22.483 ( -0.000 -0.171 0.067) 0.184 22.519 ( 0.000 1.782 -0.682) 1.908 23.106 ( -0.000 -0.838 0.017) 0.838 23.120 ( 0.000 -0.018 -0.487) 0.487 23.500 ( -0.000 -2.308 4.423) 4.988 23.555 ( 0.000 -1.340 -3.692) 3.927 23.624 ( -0.000 1.059 2.797) 2.991 23.663 ( 0.000 1.282 -2.725) 3.012 24.045 ( -0.000 -0.189 -0.094) 0.211 24.049 ( -0.000 0.330 0.364) 0.491 50.451 ( -0.000 -27.453 10.825) 29.510 50.459 ( -0.000 -25.941 14.246) 29.595 50.665 ( -0.000 -12.445 -5.465) 13.592 50.811 ( -0.000 -11.817 1.322) 11.891 51.214 ( 0.000 -1.336 -18.719) 18.767 51.271 ( 0.000 3.223 -0.797) 3.320 57.010 ( -0.000 -1.097 10.058) 10.118 57.152 ( -0.000 0.557 4.557) 4.591 57.163 ( 0.000 2.130 -4.202) 4.712 57.375 ( 0.000 11.526 -4.703) 12.449 57.784 ( 0.000 1.904 1.361) 2.340 57.860 ( 0.000 6.707 -3.313) 7.481 ======================= Grid point 364 (84/85) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -0.000 -0.000 24.141) 24.141 2.665 ( 0.000 0.000 13.213) 13.213 2.665 ( 0.000 0.000 13.213) 13.213 3.052 ( 0.000 -0.000 -9.652) 9.652 3.052 ( 0.000 -0.000 -9.652) 9.652 3.122 ( 0.000 0.000 -17.649) 17.649 5.572 ( -0.000 0.000 3.808) 3.808 5.572 ( 0.000 0.000 3.808) 3.808 5.740 ( -0.000 -0.000 -3.524) 3.524 5.740 ( 0.000 0.000 -3.524) 3.524 6.282 ( -0.000 0.000 5.527) 5.527 6.282 ( 0.000 -0.000 5.527) 5.527 6.517 ( -0.000 0.000 -7.955) 7.955 6.517 ( 0.000 0.000 -7.955) 7.955 6.734 ( -0.000 -0.000 19.234) 19.234 7.268 ( 0.000 0.000 -11.316) 11.316 8.258 ( -0.000 -0.000 5.201) 5.201 8.418 ( 0.000 0.000 -3.606) 3.606 8.926 ( -0.000 -0.000 8.879) 8.879 8.926 ( 0.000 -0.000 8.879) 8.879 9.378 ( 0.000 0.000 -16.584) 16.584 9.378 ( 0.000 0.000 -16.584) 16.584 11.825 ( -0.000 -0.000 0.365) 0.365 11.843 ( 0.000 0.000 -0.689) 0.689 12.416 ( -0.000 0.000 4.012) 4.012 12.416 ( 0.000 0.000 4.012) 4.012 12.566 ( -0.000 -0.000 -4.838) 4.838 12.566 ( 0.000 0.000 -4.838) 4.838 14.004 ( -0.000 -0.000 12.078) 12.078 14.466 ( 0.000 0.000 -13.713) 13.713 14.609 ( -0.000 0.000 10.647) 10.647 14.609 ( -0.000 0.000 10.647) 10.647 14.973 ( 0.000 0.000 -9.661) 9.661 14.973 ( 0.000 0.000 -9.661) 9.661 16.516 ( -0.000 -0.000 0.447) 0.447 16.518 ( -0.000 -0.000 0.890) 0.890 21.310 ( -0.000 -0.000 1.460) 1.460 21.356 ( 0.000 0.000 -1.351) 1.351 21.977 ( -0.000 0.000 2.146) 2.146 21.977 ( 0.000 0.000 2.146) 2.146 22.007 ( -0.000 0.000 0.189) 0.189 22.007 ( 0.000 0.000 0.189) 0.189 22.473 ( -0.000 0.000 0.184) 0.184 22.473 ( 0.000 0.000 0.184) 0.184 22.508 ( 0.000 0.000 -2.175) 2.175 22.508 ( 0.000 0.000 -2.175) 2.175 23.111 ( -0.000 -0.000 0.523) 0.523 23.128 ( 0.000 0.000 -0.710) 0.710 23.527 ( -0.000 0.000 3.877) 3.877 23.527 ( -0.000 0.000 3.877) 3.877 23.651 ( 0.000 -0.000 -3.125) 3.125 23.651 ( 0.000 0.000 -3.125) 3.125 24.039 ( -0.000 -0.000 0.568) 0.568 24.043 ( -0.000 -0.000 0.453) 0.453 50.766 ( -0.000 -0.000 19.569) 19.569 50.766 ( -0.000 0.000 19.569) 19.569 50.837 ( -0.000 -0.000 11.502) 11.502 51.129 ( 0.000 0.000 -5.771) 5.771 51.223 ( 0.000 0.000 -6.306) 6.306 51.223 ( 0.000 -0.000 -6.306) 6.306 57.059 ( -0.000 -0.000 2.718) 2.718 57.059 ( 0.000 0.000 2.718) 2.718 57.172 ( 0.000 0.000 -3.433) 3.433 57.172 ( 0.000 0.000 -3.433) 3.433 57.732 ( -0.000 -0.000 0.676) 0.676 57.763 ( 0.000 0.000 -1.177) 1.177 ======================= Grid point 365 (85/85) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -11.330 -6.541 7.472) 15.066 2.599 ( -1.631 -0.942 24.352) 24.424 2.727 ( -12.144 -7.011 -10.658) 17.613 2.939 ( 3.040 1.755 -20.126) 20.430 2.989 ( 9.517 5.494 12.424) 16.587 3.127 ( 9.228 5.328 -8.571) 13.674 5.420 ( -14.635 -8.450 4.796) 17.567 5.508 ( -11.697 -6.753 -5.992) 14.776 5.741 ( 5.312 3.067 5.633) 8.328 5.762 ( 0.353 0.204 -4.415) 4.434 6.176 ( -9.277 -5.356 5.395) 11.995 6.232 ( -10.725 -6.192 -8.363) 14.944 6.414 ( -2.380 -1.374 7.361) 7.858 6.540 ( 3.759 2.171 -2.346) 4.934 7.068 ( 12.950 7.477 12.141) 19.262 7.163 ( 2.997 1.730 -13.543) 13.978 8.376 ( 5.938 3.428 6.749) 9.621 8.455 ( 8.134 4.696 -6.600) 11.479 8.974 ( -4.365 -2.520 11.917) 12.940 9.132 ( 4.673 2.698 11.790) 12.966 9.154 ( 0.048 0.028 -13.119) 13.120 9.296 ( 6.867 3.965 -14.996) 16.964 11.844 ( 1.471 0.849 0.603) 1.802 11.856 ( 2.196 1.268 -0.816) 2.663 12.354 ( -4.605 -2.659 4.395) 6.898 12.390 ( -6.334 -3.657 -4.894) 8.800 12.595 ( 7.152 4.129 4.093) 9.217 12.653 ( 8.009 4.624 -3.986) 10.071 14.124 ( -2.652 -1.531 13.587) 13.928 14.280 ( -2.855 -1.648 -14.203) 14.580 14.705 ( -1.114 -0.643 9.965) 10.047 14.767 ( 2.037 1.176 12.136) 12.362 14.815 ( -2.267 -1.309 -10.187) 10.518 14.898 ( 1.950 1.126 -11.429) 11.649 16.528 ( 0.620 0.358 0.438) 0.839 16.530 ( 0.606 0.350 0.228) 0.736 21.316 ( -0.951 -0.549 1.323) 1.719 21.329 ( -1.323 -0.764 -1.302) 2.007 21.957 ( -2.611 -1.508 0.256) 3.026 21.962 ( -1.756 -1.014 0.308) 2.051 22.034 ( 1.826 1.054 1.518) 2.598 22.054 ( 2.732 1.577 -0.376) 3.177 22.466 ( -0.567 -0.328 0.847) 1.070 22.483 ( -0.308 -0.178 -1.705) 1.742 22.490 ( 0.733 0.423 -0.059) 0.848 22.491 ( 0.205 0.118 -0.566) 0.614 23.115 ( -0.020 -0.011 0.419) 0.419 23.119 ( -0.346 -0.200 -0.466) 0.614 23.537 ( -1.729 -0.998 4.143) 4.599 23.582 ( -1.736 -1.002 -4.022) 4.494 23.603 ( 1.648 0.952 3.470) 3.957 23.638 ( 1.141 0.659 -3.116) 3.383 24.044 ( -0.005 -0.003 0.351) 0.351 24.047 ( 0.140 0.081 0.005) 0.161 50.777 ( -12.102 -6.987 12.066) 18.463 50.836 ( -12.383 -7.149 5.850) 15.449 50.930 ( -13.495 -7.791 -9.235) 18.113 51.017 ( -6.382 -3.685 -6.274) 9.678 51.018 ( -0.028 -0.016 18.367) 18.367 51.243 ( 5.331 3.078 -10.063) 11.796 57.060 ( -0.687 -0.397 5.466) 5.523 57.129 ( 0.897 0.518 -6.266) 6.351 57.164 ( 3.218 1.858 -1.828) 4.141 57.180 ( 5.167 2.983 2.054) 6.310 57.761 ( 2.312 1.335 1.297) 2.968 57.768 ( 1.613 0.931 -1.307) 2.275 =================== 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 3/48114 10.0 863.395 863.395 1270.601 0.000 -0.000 0.000 3/48114 20.0 309.752 309.752 368.291 0.000 -0.000 -0.000 3/48114 30.0 149.718 149.718 182.748 0.000 -0.000 -0.000 3/48114 40.0 92.321 92.321 115.521 0.000 -0.000 -0.000 3/48114 50.0 63.272 63.272 80.409 0.000 -0.000 -0.000 3/48114 60.0 46.460 46.460 59.621 0.000 -0.000 -0.000 3/48114 70.0 35.873 35.873 46.349 0.000 -0.000 -0.000 3/48114 80.0 28.743 28.743 37.344 0.000 -0.000 -0.000 3/48114 90.0 23.681 23.681 30.924 0.000 -0.000 -0.000 3/48114 100.0 19.939 19.939 26.165 0.000 -0.000 -0.000 3/48114 110.0 17.088 17.088 22.526 0.000 -0.000 -0.000 3/48114 120.0 14.862 14.862 19.675 0.000 -0.000 -0.000 3/48114 130.0 13.089 13.089 17.394 0.000 -0.000 -0.000 3/48114 140.0 11.654 11.654 15.538 0.000 -0.000 -0.000 3/48114 150.0 10.474 10.474 14.007 0.000 -0.000 -0.000 3/48114 160.0 9.492 9.492 12.726 0.000 -0.000 -0.000 3/48114 170.0 8.665 8.665 11.642 0.000 -0.000 -0.000 3/48114 180.0 7.962 7.962 10.717 0.000 -0.000 -0.000 3/48114 190.0 7.358 7.358 9.919 0.000 -0.000 -0.000 3/48114 200.0 6.835 6.835 9.226 0.000 -0.000 -0.000 3/48114 210.0 6.379 6.379 8.620 0.000 -0.000 -0.000 3/48114 220.0 5.978 5.978 8.085 0.000 -0.000 -0.000 3/48114 230.0 5.623 5.623 7.611 0.000 -0.000 -0.000 3/48114 240.0 5.308 5.308 7.188 0.000 -0.000 -0.000 3/48114 250.0 5.026 5.026 6.810 0.000 -0.000 -0.000 3/48114 260.0 4.773 4.773 6.469 0.000 -0.000 -0.000 3/48114 270.0 4.544 4.544 6.161 0.000 -0.000 -0.000 3/48114 280.0 4.337 4.337 5.881 0.000 -0.000 -0.000 3/48114 290.0 4.148 4.148 5.626 0.000 -0.000 -0.000 3/48114 300.0 3.976 3.976 5.393 0.000 -0.000 -0.000 3/48114 310.0 3.818 3.818 5.179 0.000 -0.000 -0.000 3/48114 320.0 3.673 3.673 4.982 0.000 -0.000 -0.000 3/48114 330.0 3.540 3.540 4.800 0.000 -0.000 -0.000 3/48114 340.0 3.417 3.417 4.632 0.000 -0.000 -0.000 3/48114 350.0 3.302 3.302 4.476 0.000 -0.000 -0.000 3/48114 360.0 3.196 3.196 4.331 0.000 -0.000 -0.000 3/48114 370.0 3.097 3.097 4.196 0.000 -0.000 -0.000 3/48114 380.0 3.005 3.005 4.070 0.000 -0.000 -0.000 3/48114 390.0 2.919 2.919 3.952 0.000 -0.000 -0.000 3/48114 400.0 2.838 2.838 3.841 0.000 -0.000 -0.000 3/48114 410.0 2.762 2.762 3.737 0.000 -0.000 -0.000 3/48114 420.0 2.690 2.690 3.639 0.000 -0.000 -0.000 3/48114 430.0 2.623 2.623 3.547 0.000 -0.000 -0.000 3/48114 440.0 2.560 2.560 3.459 0.000 -0.000 -0.000 3/48114 450.0 2.500 2.500 3.377 0.000 -0.000 -0.000 3/48114 460.0 2.443 2.443 3.298 0.000 -0.000 -0.000 3/48114 470.0 2.389 2.389 3.224 0.000 -0.000 -0.000 3/48114 480.0 2.338 2.338 3.154 0.000 -0.000 -0.000 3/48114 490.0 2.289 2.289 3.086 0.000 -0.000 -0.000 3/48114 500.0 2.243 2.243 3.022 0.000 -0.000 -0.000 3/48114 510.0 2.198 2.198 2.961 0.000 -0.000 -0.000 3/48114 520.0 2.156 2.156 2.903 0.000 -0.000 -0.000 3/48114 530.0 2.116 2.116 2.847 0.000 -0.000 -0.000 3/48114 540.0 2.077 2.077 2.794 0.000 -0.000 -0.000 3/48114 550.0 2.040 2.040 2.742 0.000 -0.000 -0.000 3/48114 560.0 2.004 2.004 2.693 0.000 -0.000 -0.000 3/48114 570.0 1.970 1.970 2.646 0.000 -0.000 -0.000 3/48114 580.0 1.937 1.937 2.601 0.000 -0.000 -0.000 3/48114 590.0 1.906 1.906 2.557 0.000 -0.000 -0.000 3/48114 600.0 1.875 1.875 2.515 0.000 -0.000 -0.000 3/48114 610.0 1.846 1.846 2.475 0.000 -0.000 -0.000 3/48114 620.0 1.818 1.818 2.435 0.000 -0.000 -0.000 3/48114 630.0 1.790 1.790 2.398 0.000 -0.000 -0.000 3/48114 640.0 1.764 1.764 2.361 0.000 -0.000 -0.000 3/48114 650.0 1.738 1.738 2.326 0.000 -0.000 -0.000 3/48114 660.0 1.714 1.714 2.292 0.000 -0.000 -0.000 3/48114 670.0 1.690 1.690 2.259 0.000 -0.000 -0.000 3/48114 680.0 1.666 1.666 2.227 0.000 -0.000 -0.000 3/48114 690.0 1.644 1.644 2.196 0.000 -0.000 -0.000 3/48114 700.0 1.622 1.622 2.166 0.000 -0.000 -0.000 3/48114 710.0 1.601 1.601 2.137 0.000 -0.000 -0.000 3/48114 720.0 1.580 1.580 2.108 0.000 -0.000 -0.000 3/48114 730.0 1.560 1.560 2.081 0.000 -0.000 -0.000 3/48114 740.0 1.541 1.541 2.054 0.000 -0.000 -0.000 3/48114 750.0 1.522 1.522 2.028 0.000 -0.000 -0.000 3/48114 760.0 1.503 1.503 2.002 0.000 -0.000 -0.000 3/48114 770.0 1.485 1.485 1.978 0.000 -0.000 -0.000 3/48114 780.0 1.468 1.468 1.954 0.000 -0.000 -0.000 3/48114 790.0 1.451 1.451 1.930 0.000 -0.000 -0.000 3/48114 800.0 1.434 1.434 1.907 0.000 -0.000 -0.000 3/48114 810.0 1.418 1.418 1.885 0.000 -0.000 -0.000 3/48114 820.0 1.402 1.402 1.864 0.000 -0.000 -0.000 3/48114 830.0 1.386 1.386 1.842 0.000 -0.000 -0.000 3/48114 840.0 1.371 1.371 1.822 0.000 -0.000 -0.000 3/48114 850.0 1.357 1.357 1.801 0.000 -0.000 -0.000 3/48114 860.0 1.342 1.342 1.782 0.000 -0.000 -0.000 3/48114 870.0 1.328 1.328 1.762 0.000 -0.000 -0.000 3/48114 880.0 1.314 1.314 1.744 0.000 -0.000 -0.000 3/48114 890.0 1.301 1.301 1.725 0.000 -0.000 -0.000 3/48114 900.0 1.287 1.287 1.707 0.000 -0.000 -0.000 3/48114 910.0 1.275 1.275 1.689 0.000 -0.000 -0.000 3/48114 920.0 1.262 1.262 1.672 0.000 -0.000 -0.000 3/48114 930.0 1.249 1.249 1.655 0.000 -0.000 -0.000 3/48114 940.0 1.237 1.237 1.639 0.000 -0.000 -0.000 3/48114 950.0 1.225 1.225 1.622 0.000 -0.000 -0.000 3/48114 960.0 1.214 1.214 1.607 0.000 -0.000 -0.000 3/48114 970.0 1.202 1.202 1.591 0.000 -0.000 -0.000 3/48114 980.0 1.191 1.191 1.576 0.000 -0.000 -0.000 3/48114 990.0 1.180 1.180 1.561 0.000 -0.000 -0.000 3/48114 1000.0 1.169 1.169 1.546 0.000 -0.000 -0.000 3/48114 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:07:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|