----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:10:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 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 4.791375163529826 2.766301740452426 3.705330239999995 b -4.791375163529816 2.766301740452426 3.705330239999995 c 0.000000000000005 -5.532603480904861 3.705330239999995 Atomic positions (fractional): *1 O 0.78851045682512 0.59467386174837 0.46350470083845 15.999 2 O 0.59467386174837 0.46350470083845 0.78851045682512 15.999 3 O 0.46350470083845 0.78851045682512 0.59467386174837 15.999 4 O 0.03649529916155 0.90532613825163 0.71148954317488 15.999 5 O 0.90532613825163 0.71148954317488 0.03649529916155 15.999 6 O 0.71148954317488 0.03649529916155 0.90532613825163 15.999 7 O 0.21148954317488 0.40532613825163 0.53649529916155 15.999 8 O 0.40532613825163 0.53649529916155 0.21148954317488 15.999 9 O 0.53649529916155 0.21148954317488 0.40532613825163 15.999 10 O 0.96350470083845 0.09467386174837 0.28851045682512 15.999 11 O 0.28851045682512 0.96350470083845 0.09467386174837 15.999 12 O 0.09467386174837 0.28851045682512 0.96350470083845 15.999 *13 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 14 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 *15 Sr 0.25000000000000 0.61516711477241 0.88483288522759 87.620 16 Sr 0.61516711477241 0.88483288522759 0.25000000000000 87.620 17 Sr 0.11516711477241 0.75000000000000 0.38483288522759 87.620 18 Sr 0.75000000000000 0.38483288522759 0.11516711477241 87.620 19 Sr 0.38483288522759 0.11516711477241 0.75000000000000 87.620 20 Sr 0.88483288522759 0.25000000000000 0.61516711477241 87.620 *21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.582750327059642 0.000000000000000 0.000000000000000 b -4.791375163529821 8.298905221357288 0.000000000000000 c 0.000000000000000 0.000000000000000 11.115990719999997 Atomic positions (fractional): *1 O 0.17294745035447 0.15205830563220 0.61556300647065 15.999 > 1 2 O 0.97911085527773 0.82705254964553 0.61556300647065 15.999 > 2 3 O 0.84794169436780 0.02088914472227 0.61556300647065 15.999 > 3 4 O 0.48539163896553 0.83961411702114 0.55110366019602 15.999 > 4 5 O 0.35422247805561 0.51460836103447 0.55110366019602 15.999 > 5 6 O 0.16038588297886 0.64577752194439 0.55110366019602 15.999 > 6 7 O 0.82705254964553 0.84794169436780 0.38443699352935 15.999 > 7 8 O 0.02088914472227 0.17294745035447 0.38443699352935 15.999 > 8 9 O 0.15205830563220 0.97911085527773 0.38443699352935 15.999 > 9 10 O 0.51460836103447 0.16038588297886 0.44889633980398 15.999 > 10 11 O 0.83961411702114 0.35422247805561 0.44889633980398 15.999 > 11 12 O 0.64577752194439 0.48539163896553 0.44889633980398 15.999 > 12 13 O 0.83961411702114 0.48539163896553 0.94889633980398 15.999 > 1 14 O 0.64577752194439 0.16038588297886 0.94889633980398 15.999 > 2 15 O 0.51460836103447 0.35422247805561 0.94889633980398 15.999 > 3 16 O 0.15205830563220 0.17294745035447 0.88443699352935 15.999 > 4 17 O 0.02088914472227 0.84794169436780 0.88443699352935 15.999 > 5 18 O 0.82705254964553 0.97911085527773 0.88443699352935 15.999 > 6 19 O 0.49371921631219 0.18127502770113 0.71777032686269 15.999 > 7 20 O 0.68755581138894 0.50628078368781 0.71777032686269 15.999 > 8 21 O 0.81872497229887 0.31244418861106 0.71777032686269 15.999 > 9 22 O 0.18127502770113 0.49371921631219 0.78222967313731 15.999 > 10 23 O 0.50628078368781 0.68755581138894 0.78222967313731 15.999 > 11 24 O 0.31244418861106 0.81872497229887 0.78222967313731 15.999 > 12 25 O 0.50628078368781 0.81872497229887 0.28222967313731 15.999 > 1 26 O 0.31244418861106 0.49371921631219 0.28222967313731 15.999 > 2 27 O 0.18127502770113 0.68755581138894 0.28222967313731 15.999 > 3 28 O 0.81872497229887 0.50628078368781 0.21777032686269 15.999 > 4 29 O 0.68755581138894 0.18127502770113 0.21777032686269 15.999 > 5 30 O 0.49371921631219 0.31244418861106 0.21777032686269 15.999 > 6 31 O 0.16038588297886 0.51460836103447 0.05110366019602 15.999 > 7 32 O 0.35422247805561 0.83961411702114 0.05110366019602 15.999 > 8 33 O 0.48539163896553 0.64577752194439 0.05110366019602 15.999 > 9 34 O 0.84794169436780 0.82705254964553 0.11556300647065 15.999 > 10 35 O 0.17294745035447 0.02088914472227 0.11556300647065 15.999 > 11 36 O 0.97911085527773 0.15205830563220 0.11556300647065 15.999 > 12 *37 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 13 38 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 14 39 Mg 0.66666666666667 0.33333333333333 0.58333333333333 24.305 > 13 40 Mg 0.66666666666667 0.33333333333333 0.08333333333333 24.305 > 14 41 Mg 0.33333333333333 0.66666666666667 0.91666666666667 24.305 > 13 42 Mg 0.33333333333333 0.66666666666667 0.41666666666667 24.305 > 14 *43 Sr 0.66666666666667 0.69850044810574 0.58333333333333 87.620 > 15 44 Sr 0.03183378143908 0.33333333333333 0.58333333333333 87.620 > 16 45 Sr 0.69850044810574 0.03183378143908 0.41666666666667 87.620 > 17 46 Sr 0.33333333333333 0.30149955189426 0.41666666666667 87.620 > 18 47 Sr 0.96816621856092 0.66666666666667 0.41666666666667 87.620 > 19 48 Sr 0.30149955189426 0.96816621856092 0.58333333333333 87.620 > 20 49 Sr 0.33333333333333 0.03183378143908 0.91666666666667 87.620 > 15 50 Sr 0.69850044810574 0.66666666666667 0.91666666666667 87.620 > 16 51 Sr 0.36516711477241 0.36516711477241 0.75000000000000 87.620 > 17 52 Sr 0.00000000000000 0.63483288522759 0.75000000000000 87.620 > 18 53 Sr 0.63483288522759 0.00000000000000 0.75000000000000 87.620 > 19 54 Sr 0.96816621856092 0.30149955189426 0.91666666666667 87.620 > 20 55 Sr 0.00000000000000 0.36516711477241 0.25000000000000 87.620 > 15 56 Sr 0.36516711477241 0.00000000000000 0.25000000000000 87.620 > 16 57 Sr 0.03183378143908 0.69850044810574 0.08333333333333 87.620 > 17 58 Sr 0.66666666666667 0.96816621856092 0.08333333333333 87.620 > 18 59 Sr 0.30149955189426 0.33333333333333 0.08333333333333 87.620 > 19 60 Sr 0.63483288522759 0.63483288522759 0.25000000000000 87.620 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.582750327059642 0.000000000000000 0.000000000000000 b -4.791375163529821 8.298905221357288 0.000000000000000 c 0.000000000000000 0.000000000000000 11.115990719999997 Atomic positions (fractional): *1 O 0.17294745035447 0.15205830563220 0.61556300647065 15.999 > 1 2 O 0.97911085527773 0.82705254964553 0.61556300647065 15.999 > 2 3 O 0.84794169436780 0.02088914472227 0.61556300647065 15.999 > 3 4 O 0.48539163896553 0.83961411702114 0.55110366019602 15.999 > 4 5 O 0.35422247805561 0.51460836103447 0.55110366019602 15.999 > 5 6 O 0.16038588297886 0.64577752194439 0.55110366019602 15.999 > 6 7 O 0.82705254964553 0.84794169436780 0.38443699352935 15.999 > 7 8 O 0.02088914472227 0.17294745035447 0.38443699352935 15.999 > 8 9 O 0.15205830563220 0.97911085527773 0.38443699352935 15.999 > 9 10 O 0.51460836103447 0.16038588297886 0.44889633980398 15.999 > 10 11 O 0.83961411702114 0.35422247805561 0.44889633980398 15.999 > 11 12 O 0.64577752194439 0.48539163896553 0.44889633980398 15.999 > 12 13 O 0.83961411702114 0.48539163896553 0.94889633980398 15.999 > 1 14 O 0.64577752194439 0.16038588297886 0.94889633980398 15.999 > 2 15 O 0.51460836103447 0.35422247805561 0.94889633980398 15.999 > 3 16 O 0.15205830563220 0.17294745035447 0.88443699352935 15.999 > 4 17 O 0.02088914472227 0.84794169436780 0.88443699352935 15.999 > 5 18 O 0.82705254964553 0.97911085527773 0.88443699352935 15.999 > 6 19 O 0.49371921631219 0.18127502770113 0.71777032686269 15.999 > 7 20 O 0.68755581138894 0.50628078368781 0.71777032686269 15.999 > 8 21 O 0.81872497229887 0.31244418861106 0.71777032686269 15.999 > 9 22 O 0.18127502770113 0.49371921631219 0.78222967313731 15.999 > 10 23 O 0.50628078368781 0.68755581138894 0.78222967313731 15.999 > 11 24 O 0.31244418861106 0.81872497229887 0.78222967313731 15.999 > 12 25 O 0.50628078368781 0.81872497229887 0.28222967313731 15.999 > 1 26 O 0.31244418861106 0.49371921631219 0.28222967313731 15.999 > 2 27 O 0.18127502770113 0.68755581138894 0.28222967313731 15.999 > 3 28 O 0.81872497229887 0.50628078368781 0.21777032686269 15.999 > 4 29 O 0.68755581138894 0.18127502770113 0.21777032686269 15.999 > 5 30 O 0.49371921631219 0.31244418861106 0.21777032686269 15.999 > 6 31 O 0.16038588297886 0.51460836103447 0.05110366019602 15.999 > 7 32 O 0.35422247805561 0.83961411702114 0.05110366019602 15.999 > 8 33 O 0.48539163896553 0.64577752194439 0.05110366019602 15.999 > 9 34 O 0.84794169436780 0.82705254964553 0.11556300647065 15.999 > 10 35 O 0.17294745035447 0.02088914472227 0.11556300647065 15.999 > 11 36 O 0.97911085527773 0.15205830563220 0.11556300647065 15.999 > 12 *37 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 13 38 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 14 39 Mg 0.66666666666667 0.33333333333333 0.58333333333333 24.305 > 13 40 Mg 0.66666666666667 0.33333333333333 0.08333333333333 24.305 > 14 41 Mg 0.33333333333333 0.66666666666667 0.91666666666667 24.305 > 13 42 Mg 0.33333333333333 0.66666666666667 0.41666666666667 24.305 > 14 *43 Sr 0.66666666666667 0.69850044810574 0.58333333333333 87.620 > 15 44 Sr 0.03183378143908 0.33333333333333 0.58333333333333 87.620 > 16 45 Sr 0.69850044810574 0.03183378143908 0.41666666666667 87.620 > 17 46 Sr 0.33333333333333 0.30149955189426 0.41666666666667 87.620 > 18 47 Sr 0.96816621856092 0.66666666666667 0.41666666666667 87.620 > 19 48 Sr 0.30149955189426 0.96816621856092 0.58333333333333 87.620 > 20 49 Sr 0.33333333333333 0.03183378143908 0.91666666666667 87.620 > 15 50 Sr 0.69850044810574 0.66666666666667 0.91666666666667 87.620 > 16 51 Sr 0.36516711477241 0.36516711477241 0.75000000000000 87.620 > 17 52 Sr 0.00000000000000 0.63483288522759 0.75000000000000 87.620 > 18 53 Sr 0.63483288522759 0.00000000000000 0.75000000000000 87.620 > 19 54 Sr 0.96816621856092 0.30149955189426 0.91666666666667 87.620 > 20 55 Sr 0.00000000000000 0.36516711477241 0.25000000000000 87.620 > 15 56 Sr 0.36516711477241 0.00000000000000 0.25000000000000 87.620 > 16 57 Sr 0.03183378143908 0.69850044810574 0.08333333333333 87.620 > 17 58 Sr 0.66666666666667 0.96816621856092 0.08333333333333 87.620 > 18 59 Sr 0.30149955189426 0.33333333333333 0.08333333333333 87.620 > 19 60 Sr 0.63483288522759 0.63483288522759 0.25000000000000 87.620 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4405737 -0.0000000 0.0000000 0.0000000 4.4405737 0.0000000 0.0000000 0.0000000 4.6930713 -------------------------- Born effective charges -------------------------- 1 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 2 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 3 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 4 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 5 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 6 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 7 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 8 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 9 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 10 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 11 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 12 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 13 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 14 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 15 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 16 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 17 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 18 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 19 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 20 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 21 Pt 1.5644903 -0.0491214 0.0000000 0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 22 Pt 1.5644903 0.0491214 0.0000000 -0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 ---------------------------------------------------------------------------- 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: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 293 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): 0.003 Solver_block: 100 / 240 - Time: 0.297 Solver_block: 200 / 240 - Time: 0.315 Solver_block: 240 / 240 - Time: 0.140 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.765 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 293 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:10:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:10:57]------------------------- 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 4.791375163529826 2.766301740452426 3.705330239999995 b -4.791375163529816 2.766301740452426 3.705330239999995 c 0.000000000000005 -5.532603480904861 3.705330239999995 Atomic positions (fractional): 1 O 0.78851045682512 0.59467386174837 0.46350470083845 15.999 2 O 0.59467386174837 0.46350470083845 0.78851045682512 15.999 3 O 0.46350470083845 0.78851045682512 0.59467386174837 15.999 4 O 0.03649529916155 0.90532613825163 0.71148954317488 15.999 5 O 0.90532613825163 0.71148954317488 0.03649529916155 15.999 6 O 0.71148954317488 0.03649529916155 0.90532613825163 15.999 7 O 0.21148954317488 0.40532613825163 0.53649529916155 15.999 8 O 0.40532613825163 0.53649529916155 0.21148954317488 15.999 9 O 0.53649529916155 0.21148954317488 0.40532613825163 15.999 10 O 0.96350470083845 0.09467386174837 0.28851045682512 15.999 11 O 0.28851045682512 0.96350470083845 0.09467386174837 15.999 12 O 0.09467386174837 0.28851045682512 0.96350470083845 15.999 13 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 14 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 15 Sr 0.25000000000000 0.61516711477241 0.88483288522759 87.620 16 Sr 0.61516711477241 0.88483288522759 0.25000000000000 87.620 17 Sr 0.11516711477241 0.75000000000000 0.38483288522759 87.620 18 Sr 0.75000000000000 0.38483288522759 0.11516711477241 87.620 19 Sr 0.38483288522759 0.11516711477241 0.75000000000000 87.620 20 Sr 0.88483288522759 0.25000000000000 0.61516711477241 87.620 21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582750327059642 0.000000000000000 0.000000000000000 b -4.791375163529821 8.298905221357288 0.000000000000000 c 0.000000000000000 0.000000000000000 11.115990719999997 Atomic positions (fractional): 1 O 0.17294745035447 0.15205830563220 0.61556300647065 15.999 > 1 2 O 0.97911085527773 0.82705254964553 0.61556300647065 15.999 > 2 3 O 0.84794169436780 0.02088914472227 0.61556300647065 15.999 > 3 4 O 0.48539163896553 0.83961411702114 0.55110366019602 15.999 > 4 5 O 0.35422247805561 0.51460836103447 0.55110366019602 15.999 > 5 6 O 0.16038588297886 0.64577752194439 0.55110366019602 15.999 > 6 7 O 0.82705254964553 0.84794169436780 0.38443699352935 15.999 > 7 8 O 0.02088914472227 0.17294745035447 0.38443699352935 15.999 > 8 9 O 0.15205830563220 0.97911085527773 0.38443699352935 15.999 > 9 10 O 0.51460836103447 0.16038588297886 0.44889633980398 15.999 > 10 11 O 0.83961411702114 0.35422247805561 0.44889633980398 15.999 > 11 12 O 0.64577752194439 0.48539163896553 0.44889633980398 15.999 > 12 13 O 0.83961411702114 0.48539163896553 0.94889633980398 15.999 > 1 14 O 0.64577752194439 0.16038588297886 0.94889633980398 15.999 > 2 15 O 0.51460836103447 0.35422247805561 0.94889633980398 15.999 > 3 16 O 0.15205830563220 0.17294745035447 0.88443699352935 15.999 > 4 17 O 0.02088914472227 0.84794169436780 0.88443699352935 15.999 > 5 18 O 0.82705254964553 0.97911085527773 0.88443699352935 15.999 > 6 19 O 0.49371921631219 0.18127502770113 0.71777032686269 15.999 > 7 20 O 0.68755581138894 0.50628078368781 0.71777032686269 15.999 > 8 21 O 0.81872497229887 0.31244418861106 0.71777032686269 15.999 > 9 22 O 0.18127502770113 0.49371921631219 0.78222967313731 15.999 > 10 23 O 0.50628078368781 0.68755581138894 0.78222967313731 15.999 > 11 24 O 0.31244418861106 0.81872497229887 0.78222967313731 15.999 > 12 25 O 0.50628078368781 0.81872497229887 0.28222967313731 15.999 > 1 26 O 0.31244418861106 0.49371921631219 0.28222967313731 15.999 > 2 27 O 0.18127502770113 0.68755581138894 0.28222967313731 15.999 > 3 28 O 0.81872497229887 0.50628078368781 0.21777032686269 15.999 > 4 29 O 0.68755581138894 0.18127502770113 0.21777032686269 15.999 > 5 30 O 0.49371921631219 0.31244418861106 0.21777032686269 15.999 > 6 31 O 0.16038588297886 0.51460836103447 0.05110366019602 15.999 > 7 32 O 0.35422247805561 0.83961411702114 0.05110366019602 15.999 > 8 33 O 0.48539163896553 0.64577752194439 0.05110366019602 15.999 > 9 34 O 0.84794169436780 0.82705254964553 0.11556300647065 15.999 > 10 35 O 0.17294745035447 0.02088914472227 0.11556300647065 15.999 > 11 36 O 0.97911085527773 0.15205830563220 0.11556300647065 15.999 > 12 37 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 37 38 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 38 39 Mg 0.66666666666667 0.33333333333333 0.58333333333333 24.305 > 37 40 Mg 0.66666666666667 0.33333333333333 0.08333333333333 24.305 > 38 41 Mg 0.33333333333333 0.66666666666667 0.91666666666667 24.305 > 37 42 Mg 0.33333333333333 0.66666666666667 0.41666666666667 24.305 > 38 43 Sr 0.66666666666667 0.69850044810574 0.58333333333333 87.620 > 43 44 Sr 0.03183378143908 0.33333333333333 0.58333333333333 87.620 > 44 45 Sr 0.69850044810574 0.03183378143908 0.41666666666667 87.620 > 45 46 Sr 0.33333333333333 0.30149955189426 0.41666666666667 87.620 > 46 47 Sr 0.96816621856092 0.66666666666667 0.41666666666667 87.620 > 47 48 Sr 0.30149955189426 0.96816621856092 0.58333333333333 87.620 > 48 49 Sr 0.33333333333333 0.03183378143908 0.91666666666667 87.620 > 43 50 Sr 0.69850044810574 0.66666666666667 0.91666666666667 87.620 > 44 51 Sr 0.36516711477241 0.36516711477241 0.75000000000000 87.620 > 45 52 Sr 0.00000000000000 0.63483288522759 0.75000000000000 87.620 > 46 53 Sr 0.63483288522759 0.00000000000000 0.75000000000000 87.620 > 47 54 Sr 0.96816621856092 0.30149955189426 0.91666666666667 87.620 > 48 55 Sr 0.00000000000000 0.36516711477241 0.25000000000000 87.620 > 43 56 Sr 0.36516711477241 0.00000000000000 0.25000000000000 87.620 > 44 57 Sr 0.03183378143908 0.69850044810574 0.08333333333333 87.620 > 45 58 Sr 0.66666666666667 0.96816621856092 0.08333333333333 87.620 > 46 59 Sr 0.30149955189426 0.33333333333333 0.08333333333333 87.620 > 47 60 Sr 0.63483288522759 0.63483288522759 0.25000000000000 87.620 > 48 61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4405737 -0.0000000 0.0000000 0.0000000 4.4405737 0.0000000 0.0000000 0.0000000 4.6930713 -------------------------- Born effective charges -------------------------- 1 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 2 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 3 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 4 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 5 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 6 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 7 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 8 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 9 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 10 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 11 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 12 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 13 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 14 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 15 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 16 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 17 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 18 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 19 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 20 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 21 Pt 1.5644903 -0.0491214 0.0000000 0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 22 Pt 1.5644903 0.0491214 0.0000000 -0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-07 21:11:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:11:03]------------------------- 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 4.791375163529826 2.766301740452426 3.705330239999995 b -4.791375163529816 2.766301740452426 3.705330239999995 c 0.000000000000005 -5.532603480904861 3.705330239999995 Atomic positions (fractional): 1 O 0.78851045682512 0.59467386174837 0.46350470083845 15.999 2 O 0.59467386174837 0.46350470083845 0.78851045682512 15.999 3 O 0.46350470083845 0.78851045682512 0.59467386174837 15.999 4 O 0.03649529916155 0.90532613825163 0.71148954317488 15.999 5 O 0.90532613825163 0.71148954317488 0.03649529916155 15.999 6 O 0.71148954317488 0.03649529916155 0.90532613825163 15.999 7 O 0.21148954317488 0.40532613825163 0.53649529916155 15.999 8 O 0.40532613825163 0.53649529916155 0.21148954317488 15.999 9 O 0.53649529916155 0.21148954317488 0.40532613825163 15.999 10 O 0.96350470083845 0.09467386174837 0.28851045682512 15.999 11 O 0.28851045682512 0.96350470083845 0.09467386174837 15.999 12 O 0.09467386174837 0.28851045682512 0.96350470083845 15.999 13 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 14 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 15 Sr 0.25000000000000 0.61516711477241 0.88483288522759 87.620 16 Sr 0.61516711477241 0.88483288522759 0.25000000000000 87.620 17 Sr 0.11516711477241 0.75000000000000 0.38483288522759 87.620 18 Sr 0.75000000000000 0.38483288522759 0.11516711477241 87.620 19 Sr 0.38483288522759 0.11516711477241 0.75000000000000 87.620 20 Sr 0.88483288522759 0.25000000000000 0.61516711477241 87.620 21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.582750327059642 0.000000000000000 0.000000000000000 b -4.791375163529821 8.298905221357288 0.000000000000000 c 0.000000000000000 0.000000000000000 11.115990719999997 Atomic positions (fractional): 1 O 0.17294745035447 0.15205830563220 0.61556300647065 15.999 > 1 2 O 0.97911085527773 0.82705254964553 0.61556300647065 15.999 > 2 3 O 0.84794169436780 0.02088914472227 0.61556300647065 15.999 > 3 4 O 0.48539163896553 0.83961411702114 0.55110366019602 15.999 > 4 5 O 0.35422247805561 0.51460836103447 0.55110366019602 15.999 > 5 6 O 0.16038588297886 0.64577752194439 0.55110366019602 15.999 > 6 7 O 0.82705254964553 0.84794169436780 0.38443699352935 15.999 > 7 8 O 0.02088914472227 0.17294745035447 0.38443699352935 15.999 > 8 9 O 0.15205830563220 0.97911085527773 0.38443699352935 15.999 > 9 10 O 0.51460836103447 0.16038588297886 0.44889633980398 15.999 > 10 11 O 0.83961411702114 0.35422247805561 0.44889633980398 15.999 > 11 12 O 0.64577752194439 0.48539163896553 0.44889633980398 15.999 > 12 13 O 0.83961411702114 0.48539163896553 0.94889633980398 15.999 > 1 14 O 0.64577752194439 0.16038588297886 0.94889633980398 15.999 > 2 15 O 0.51460836103447 0.35422247805561 0.94889633980398 15.999 > 3 16 O 0.15205830563220 0.17294745035447 0.88443699352935 15.999 > 4 17 O 0.02088914472227 0.84794169436780 0.88443699352935 15.999 > 5 18 O 0.82705254964553 0.97911085527773 0.88443699352935 15.999 > 6 19 O 0.49371921631219 0.18127502770113 0.71777032686269 15.999 > 7 20 O 0.68755581138894 0.50628078368781 0.71777032686269 15.999 > 8 21 O 0.81872497229887 0.31244418861106 0.71777032686269 15.999 > 9 22 O 0.18127502770113 0.49371921631219 0.78222967313731 15.999 > 10 23 O 0.50628078368781 0.68755581138894 0.78222967313731 15.999 > 11 24 O 0.31244418861106 0.81872497229887 0.78222967313731 15.999 > 12 25 O 0.50628078368781 0.81872497229887 0.28222967313731 15.999 > 1 26 O 0.31244418861106 0.49371921631219 0.28222967313731 15.999 > 2 27 O 0.18127502770113 0.68755581138894 0.28222967313731 15.999 > 3 28 O 0.81872497229887 0.50628078368781 0.21777032686269 15.999 > 4 29 O 0.68755581138894 0.18127502770113 0.21777032686269 15.999 > 5 30 O 0.49371921631219 0.31244418861106 0.21777032686269 15.999 > 6 31 O 0.16038588297886 0.51460836103447 0.05110366019602 15.999 > 7 32 O 0.35422247805561 0.83961411702114 0.05110366019602 15.999 > 8 33 O 0.48539163896553 0.64577752194439 0.05110366019602 15.999 > 9 34 O 0.84794169436780 0.82705254964553 0.11556300647065 15.999 > 10 35 O 0.17294745035447 0.02088914472227 0.11556300647065 15.999 > 11 36 O 0.97911085527773 0.15205830563220 0.11556300647065 15.999 > 12 37 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 37 38 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 38 39 Mg 0.66666666666667 0.33333333333333 0.58333333333333 24.305 > 37 40 Mg 0.66666666666667 0.33333333333333 0.08333333333333 24.305 > 38 41 Mg 0.33333333333333 0.66666666666667 0.91666666666667 24.305 > 37 42 Mg 0.33333333333333 0.66666666666667 0.41666666666667 24.305 > 38 43 Sr 0.66666666666667 0.69850044810574 0.58333333333333 87.620 > 43 44 Sr 0.03183378143908 0.33333333333333 0.58333333333333 87.620 > 44 45 Sr 0.69850044810574 0.03183378143908 0.41666666666667 87.620 > 45 46 Sr 0.33333333333333 0.30149955189426 0.41666666666667 87.620 > 46 47 Sr 0.96816621856092 0.66666666666667 0.41666666666667 87.620 > 47 48 Sr 0.30149955189426 0.96816621856092 0.58333333333333 87.620 > 48 49 Sr 0.33333333333333 0.03183378143908 0.91666666666667 87.620 > 43 50 Sr 0.69850044810574 0.66666666666667 0.91666666666667 87.620 > 44 51 Sr 0.36516711477241 0.36516711477241 0.75000000000000 87.620 > 45 52 Sr 0.00000000000000 0.63483288522759 0.75000000000000 87.620 > 46 53 Sr 0.63483288522759 0.00000000000000 0.75000000000000 87.620 > 47 54 Sr 0.96816621856092 0.30149955189426 0.91666666666667 87.620 > 48 55 Sr 0.00000000000000 0.36516711477241 0.25000000000000 87.620 > 43 56 Sr 0.36516711477241 0.00000000000000 0.25000000000000 87.620 > 44 57 Sr 0.03183378143908 0.69850044810574 0.08333333333333 87.620 > 45 58 Sr 0.66666666666667 0.96816621856092 0.08333333333333 87.620 > 46 59 Sr 0.30149955189426 0.33333333333333 0.08333333333333 87.620 > 47 60 Sr 0.63483288522759 0.63483288522759 0.25000000000000 87.620 > 48 61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4405737 -0.0000000 0.0000000 0.0000000 4.4405737 0.0000000 0.0000000 0.0000000 4.6930713 -------------------------- Born effective charges -------------------------- 1 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 2 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 3 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 4 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 5 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 6 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 7 O -1.7131161 -0.3876032 -0.3860341 -0.4526638 -2.0824184 -0.5221901 -0.4312355 -0.6730970 -2.0331339 8 O -1.6262466 0.4025096 -0.2592128 0.3374490 -2.1692880 0.5954104 -0.3673014 0.7100093 -2.0331339 9 O -2.3539391 0.0826844 0.6452469 0.0176239 -1.4415954 -0.0732203 0.7985368 -0.0369124 -2.0331339 10 O -1.6262466 -0.4025096 0.2592128 -0.3374490 -2.1692880 0.5954104 0.3673014 0.7100093 -2.0331339 11 O -2.3539391 -0.0826844 -0.6452469 -0.0176239 -1.4415954 -0.0732203 -0.7985368 -0.0369124 -2.0331339 12 O -1.7131161 0.3876032 0.3860341 0.4526638 -2.0824184 -0.5221901 0.4312355 -0.6730970 -2.0331339 13 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 14 Mg 1.3352422 -0.0000000 0.0000000 0.0000000 1.3352422 0.0000000 0.0000000 0.0000000 3.0201015 15 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 16 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 17 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 18 Sr 2.8750185 0.0797807 -0.2936277 0.0797807 2.7828956 -0.1695260 -0.2812340 -0.1623705 2.3330291 19 Sr 2.7368342 -0.0000000 0.0000000 0.0000000 2.9210799 0.3390520 0.0000000 0.3247411 2.3330291 20 Sr 2.8750185 -0.0797807 0.2936277 -0.0797807 2.7828956 -0.1695260 0.2812340 -0.1623705 2.3330291 21 Pt 1.5644903 -0.0491214 0.0000000 0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 22 Pt 1.5644903 0.0491214 0.0000000 -0.0491214 1.5644903 0.0000000 0.0000000 0.0000000 2.1796147 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.468 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.022 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 12.097 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 16.305 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 18.068 ( 0.000 0.000 0.000) 0.000 18.068 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 19.010 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 13.126 7.578 25.129) 29.346 0.552 ( 19.181 11.074 19.458) 29.481 1.032 ( 32.301 18.649 39.630) 54.421 3.402 ( -13.229 -7.638 1.766) 15.378 3.437 ( -10.838 -6.257 -7.985) 14.845 3.518 ( -2.784 -1.607 -3.916) 5.066 3.602 ( -2.337 -1.349 1.259) 2.978 3.673 ( 4.861 2.807 -3.658) 6.700 3.694 ( 1.795 1.036 3.039) 3.679 3.771 ( -3.134 -1.810 10.668) 11.266 3.872 ( 9.264 5.349 -1.388) 10.787 3.911 ( 8.413 4.857 1.101) 9.777 4.107 ( -12.497 -7.215 21.408) 25.818 4.293 ( -4.001 -2.310 0.033) 4.620 4.361 ( 2.732 1.577 -0.973) 3.302 4.684 ( -7.114 -4.107 -2.929) 8.721 4.777 ( 5.416 3.127 -9.059) 11.008 5.123 ( -1.275 -0.736 -8.415) 8.543 5.131 ( -0.795 -0.459 -3.203) 3.332 5.185 ( 0.685 0.396 -3.968) 4.046 5.299 ( 6.087 3.514 1.719) 7.236 5.483 ( -0.558 -0.322 0.555) 0.850 5.640 ( 0.426 0.246 1.407) 1.490 6.049 ( 24.017 13.866 -42.100) 50.413 6.120 ( -0.033 -0.019 -2.134) 2.134 6.318 ( -0.337 -0.194 -3.138) 3.162 6.323 ( -1.763 -1.018 -1.402) 2.472 6.452 ( -4.297 -2.481 0.511) 4.988 6.720 ( -2.471 -1.427 -3.970) 4.889 6.732 ( -0.065 -0.038 -5.624) 5.624 7.844 ( 1.778 1.026 6.052) 6.391 7.846 ( 1.286 0.742 -0.064) 1.486 8.031 ( 4.400 2.540 0.655) 5.123 8.707 ( -8.281 -4.781 -3.641) 10.232 8.895 ( 1.109 0.640 -6.739) 6.860 8.915 ( 3.070 1.772 -2.470) 4.320 8.968 ( -1.383 -0.798 12.663) 12.763 9.332 ( 0.778 0.449 -0.383) 0.976 9.384 ( 3.971 2.293 10.222) 11.203 9.851 ( -1.712 -0.988 3.938) 4.406 9.894 ( 1.662 0.959 4.022) 4.456 9.954 ( -1.671 -0.965 -5.020) 5.378 10.190 ( 13.728 7.926 -14.502) 21.485 10.641 ( -5.061 -2.922 -4.144) 7.164 10.946 ( -3.617 -2.088 -3.072) 5.184 10.964 ( -5.436 -3.139 -0.020) 6.278 11.157 ( 2.326 1.343 -4.126) 4.924 11.206 ( 0.562 0.325 -0.953) 1.153 11.230 ( -5.145 -2.971 5.415) 8.039 11.429 ( 9.642 5.567 -10.865) 15.557 11.704 ( 10.178 5.876 -2.644) 12.046 12.127 ( -2.386 -1.378 8.292) 8.738 12.581 ( -26.310 -15.190 39.676) 49.971 13.421 ( -2.382 -1.375 -3.671) 4.587 16.394 ( 1.236 0.714 5.519) 5.701 16.422 ( 2.859 1.651 6.265) 7.082 16.761 ( -24.833 -14.337 40.876) 49.931 17.335 ( 2.656 1.533 -4.322) 5.299 17.403 ( -0.373 -0.216 -8.456) 8.467 18.016 ( -3.084 -1.780 -4.283) 5.570 18.101 ( 0.444 0.257 4.632) 4.661 18.512 ( -0.209 -0.121 -1.184) 1.208 18.576 ( 3.438 1.985 4.211) 5.787 18.788 ( 0.345 0.199 2.814) 2.842 19.005 ( 0.095 0.055 -1.042) 1.048 19.446 ( 6.352 3.668 -11.375) 13.535 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 15.526 8.964 24.328) 30.221 1.105 ( 19.481 11.248 19.040) 29.471 1.987 ( 28.474 16.439 34.782) 47.862 3.107 ( -14.140 -8.164 -11.810) 20.151 3.111 ( -17.790 -10.271 -5.501) 21.266 3.443 ( -4.328 -2.499 1.531) 5.227 3.601 ( -0.564 -0.325 3.458) 3.519 3.740 ( 7.460 4.307 -3.258) 9.209 3.750 ( 1.914 1.105 0.785) 2.345 3.844 ( -1.607 -0.928 9.431) 9.612 4.013 ( 9.589 5.536 -2.766) 11.413 4.028 ( 5.240 3.025 -1.582) 6.254 4.180 ( -5.289 -3.054 19.109) 20.061 4.226 ( -4.931 -2.847 1.454) 5.876 4.392 ( 0.808 0.466 0.420) 1.023 4.495 ( -9.250 -5.341 -4.578) 11.621 4.739 ( 5.679 3.279 -15.286) 16.633 4.956 ( -1.384 -0.799 -18.117) 18.187 5.074 ( -4.180 -2.413 -6.011) 7.709 5.080 ( -2.084 -1.203 -1.367) 2.768 5.451 ( 6.824 3.940 4.457) 9.053 5.518 ( 0.766 0.442 6.062) 6.126 5.708 ( 2.962 1.710 2.934) 4.506 5.970 ( 7.710 4.451 -20.545) 22.391 6.081 ( 0.267 0.154 -4.912) 4.921 6.225 ( -8.015 -4.627 0.288) 9.259 6.272 ( -0.079 -0.046 -3.654) 3.655 6.409 ( -1.336 -0.771 0.599) 1.655 6.600 ( -4.572 -2.640 -5.734) 7.794 6.641 ( -0.503 -0.291 -9.273) 9.291 7.891 ( 0.200 0.115 6.294) 6.299 7.975 ( 2.606 1.504 9.711) 10.166 8.137 ( 6.951 4.013 -0.261) 8.031 8.525 ( -6.724 -3.882 -5.174) 9.330 8.822 ( 1.840 1.063 -10.430) 10.644 8.863 ( -1.977 -1.141 -4.845) 5.356 9.195 ( -1.334 -0.770 27.873) 27.915 9.329 ( -2.999 -1.731 3.616) 5.006 9.532 ( 1.487 0.859 3.346) 3.761 9.871 ( 4.041 2.333 -7.990) 9.253 9.900 ( -1.244 -0.718 8.892) 9.007 10.000 ( -1.497 -0.864 12.346) 12.467 10.249 ( 8.926 5.153 -11.528) 15.464 10.455 ( -0.746 -0.431 -19.014) 19.034 10.862 ( -2.763 -1.595 -1.582) 3.561 10.869 ( -4.953 -2.859 0.377) 5.731 11.093 ( -5.033 -2.906 -1.425) 5.984 11.133 ( 0.237 0.137 -4.018) 4.028 11.315 ( 1.593 0.920 5.191) 5.507 11.473 ( 6.193 3.575 -6.567) 9.709 11.854 ( 11.105 6.411 -4.375) 13.549 12.173 ( -6.606 -3.814 12.358) 14.523 12.594 ( -7.773 -4.488 16.971) 19.198 13.301 ( -4.368 -2.522 -6.993) 8.622 16.512 ( 3.283 1.896 8.014) 8.865 16.580 ( 3.792 2.189 10.100) 11.008 16.799 ( -10.994 -6.347 21.075) 24.603 17.269 ( -0.673 -0.388 -13.022) 13.045 17.339 ( 5.522 3.188 -7.367) 9.743 17.876 ( -5.745 -3.317 -6.256) 9.118 18.176 ( 1.001 0.578 6.167) 6.274 18.484 ( -0.594 -0.343 -2.513) 2.605 18.714 ( 4.565 2.636 6.466) 8.342 18.847 ( 1.568 0.905 5.366) 5.663 18.989 ( 0.066 0.038 -2.164) 2.166 19.409 ( 0.722 0.417 -6.527) 6.580 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 18.046 10.419 22.184) 30.435 1.654 ( 19.485 11.250 18.216) 28.949 2.674 ( -19.925 -11.504 -12.759) 26.309 2.679 ( -14.977 -8.647 -11.354) 20.688 2.770 ( 19.384 11.191 20.473) 30.334 3.385 ( -6.441 -3.719 3.140) 8.073 3.651 ( 0.145 0.084 5.316) 5.318 3.766 ( 1.149 0.663 -3.257) 3.517 3.873 ( 10.513 6.070 -0.503) 12.150 3.932 ( 0.231 0.133 8.667) 8.671 4.096 ( 5.830 3.366 -0.983) 6.804 4.134 ( -4.611 -2.662 0.278) 5.331 4.150 ( 6.899 3.983 -2.547) 8.364 4.275 ( -7.506 -4.333 -6.572) 10.877 4.307 ( -5.323 -3.073 16.370) 17.486 4.402 ( -1.257 -0.726 4.292) 4.530 4.637 ( 2.590 1.495 -16.120) 16.395 4.657 ( -7.428 -4.289 -18.856) 20.715 4.991 ( 1.842 1.064 -5.497) 5.895 5.030 ( -3.423 -1.977 1.062) 4.093 5.614 ( 5.448 3.145 4.358) 7.653 5.622 ( 0.912 0.526 8.803) 8.866 5.767 ( 0.478 0.276 1.618) 1.709 5.869 ( 4.331 2.500 -15.375) 16.168 6.033 ( 2.471 1.427 -7.205) 7.750 6.092 ( -10.187 -5.882 5.434) 12.958 6.256 ( 2.099 1.212 -1.360) 2.779 6.405 ( 1.812 1.046 -2.648) 3.375 6.451 ( -7.257 -4.190 -1.210) 8.467 6.524 ( -0.709 -0.409 -8.670) 8.709 7.997 ( 1.107 0.639 10.178) 10.258 8.129 ( 1.949 1.125 8.907) 9.187 8.247 ( 7.021 4.054 -2.767) 8.566 8.359 ( -5.019 -2.897 -5.808) 8.205 8.733 ( 2.384 1.376 -11.175) 11.509 8.762 ( -5.506 -3.179 -0.522) 6.379 9.328 ( -3.650 -2.107 7.398) 8.514 9.461 ( -0.549 -0.317 1.807) 1.915 9.543 ( -1.055 -0.609 21.348) 21.383 9.933 ( 7.551 4.359 -2.486) 9.066 9.980 ( -1.944 -1.123 8.333) 8.630 10.105 ( -4.578 -2.643 15.050) 15.951 10.176 ( -0.450 -0.260 -21.106) 21.112 10.253 ( 7.178 4.145 -19.135) 20.853 10.814 ( -1.668 -0.963 -0.004) 1.927 10.816 ( -1.732 -1.000 0.224) 2.012 11.024 ( -1.053 -0.608 -1.131) 1.660 11.081 ( -1.731 -0.999 -2.519) 3.216 11.391 ( 0.768 0.443 4.854) 4.935 11.485 ( 3.036 1.753 -5.795) 6.772 11.985 ( 10.538 6.084 -5.934) 13.538 12.158 ( -9.810 -5.664 10.709) 15.588 12.709 ( 1.623 0.937 12.429) 12.569 13.119 ( -5.480 -3.164 -9.627) 11.520 16.676 ( 4.570 2.639 8.298) 9.834 16.744 ( 1.912 1.104 8.607) 8.886 16.847 ( -6.569 -3.793 14.415) 16.289 17.096 ( -0.514 -0.297 -15.441) 15.452 17.379 ( 8.374 4.835 -6.063) 11.413 17.689 ( -7.986 -4.611 -5.036) 10.507 18.268 ( 1.464 0.845 6.055) 6.286 18.433 ( -1.122 -0.648 -3.940) 4.147 18.837 ( 1.634 0.944 5.308) 5.633 18.957 ( -0.147 -0.085 -3.351) 3.355 18.983 ( 4.992 2.882 8.156) 9.987 19.318 ( -2.651 -1.531 -6.814) 7.470 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -9.431 -5.445 -9.114) 14.201 2.122 ( 9.431 5.445 9.114) 14.201 2.214 ( -8.427 -4.865 -7.626) 12.363 2.214 ( 8.427 4.865 7.626) 12.363 3.227 ( -12.181 -7.033 -6.260) 15.395 3.227 ( 12.181 7.033 6.260) 15.395 3.717 ( -0.057 -0.033 -5.976) 5.976 3.717 ( 0.057 0.033 5.976) 5.976 4.030 ( -4.970 -2.870 -1.698) 5.985 4.030 ( 4.970 2.870 1.698) 5.985 4.063 ( -6.753 -3.899 -4.726) 9.118 4.063 ( 6.753 3.899 4.726) 9.118 4.284 ( 3.802 2.195 -4.130) 6.028 4.284 ( -3.802 -2.195 4.130) 6.028 4.298 ( -6.809 -3.931 -11.632) 14.040 4.298 ( 6.809 3.931 11.632) 14.040 4.504 ( 2.197 1.268 -15.760) 15.962 4.504 ( -2.197 -1.268 15.760) 15.962 4.992 ( 3.879 2.240 -3.887) 5.931 4.992 ( -3.879 -2.240 3.887) 5.931 5.702 ( 0.467 0.270 -1.006) 1.141 5.702 ( -0.467 -0.270 1.006) 1.141 5.785 ( 5.299 3.060 -12.787) 14.176 5.785 ( -5.299 -3.060 12.787) 14.176 6.019 ( 7.330 4.232 -9.359) 12.619 6.019 ( -7.330 -4.232 9.359) 12.619 6.319 ( -3.913 -2.259 -2.892) 5.365 6.319 ( 3.913 2.259 2.892) 5.365 6.439 ( 0.237 0.137 -5.345) 5.352 6.439 ( -0.237 -0.137 5.345) 5.352 8.140 ( -1.505 -0.869 -9.144) 9.308 8.140 ( 1.505 0.869 9.144) 9.308 8.288 ( 3.820 2.206 -6.694) 8.016 8.288 ( -3.820 -2.206 6.694) 8.016 8.691 ( 4.910 2.835 -5.824) 8.128 8.691 ( -4.910 -2.835 5.824) 8.128 9.378 ( 1.757 1.014 -9.801) 10.009 9.378 ( -1.757 -1.014 9.801) 10.009 9.859 ( 1.060 0.612 -29.621) 29.646 9.859 ( -1.060 -0.612 29.621) 29.646 10.015 ( 7.057 4.074 -6.711) 10.556 10.015 ( -7.057 -4.074 6.711) 10.556 10.179 ( 7.653 4.419 -17.861) 19.928 10.179 ( -7.653 -4.419 17.861) 19.928 10.802 ( 0.729 0.421 -0.932) 1.256 10.802 ( -0.729 -0.421 0.932) 1.256 11.029 ( -1.870 -1.079 -0.337) 2.185 11.029 ( 1.870 1.079 0.337) 2.185 11.451 ( 0.494 0.285 -5.239) 5.270 11.451 ( -0.494 -0.285 5.239) 5.270 12.087 ( 10.177 5.876 -7.915) 14.168 12.087 ( -10.177 -5.876 7.915) 14.168 12.906 ( -5.030 -2.904 -11.330) 12.732 12.906 ( 5.030 2.904 11.330) 12.732 16.804 ( -2.559 -1.478 1.173) 3.180 16.804 ( 2.559 1.478 -1.173) 3.180 16.922 ( 2.688 1.552 -16.550) 16.838 16.922 ( -2.688 -1.552 16.550) 16.838 17.503 ( -9.415 -5.436 -0.186) 10.873 17.503 ( 9.415 5.436 0.186) 10.873 18.358 ( -1.507 -0.870 -5.215) 5.498 18.358 ( 1.507 0.870 5.215) 5.498 18.908 ( -0.524 -0.302 -4.396) 4.438 18.908 ( 0.524 0.302 4.396) 4.438 19.167 ( -4.878 -2.817 -8.059) 9.832 19.167 ( 4.878 2.817 8.059) 9.832 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 13.097 26.531) 29.588 0.836 ( -0.000 15.049 25.993) 30.035 1.549 ( -0.000 21.329 51.779) 56.000 3.355 ( -0.000 -14.833 -2.034) 14.972 3.426 ( 0.000 -6.832 -6.521) 9.444 3.515 ( 0.000 -2.677 -5.948) 6.523 3.591 ( 0.000 2.546 0.287) 2.562 3.665 ( -0.000 2.722 1.494) 3.105 3.695 ( 0.000 3.195 -0.296) 3.208 3.833 ( 0.000 -0.942 -5.057) 5.145 3.850 ( -0.000 0.386 7.587) 7.596 3.923 ( -0.000 2.992 5.792) 6.519 4.271 ( -0.000 -10.713 6.684) 12.628 4.311 ( -0.000 -0.790 2.937) 3.042 4.444 ( -0.000 -2.782 11.410) 11.744 4.601 ( 0.000 4.438 -17.166) 17.730 4.728 ( -0.000 -3.992 0.310) 4.004 4.978 ( 0.000 -0.782 -18.249) 18.266 5.081 ( 0.000 4.937 -7.934) 9.344 5.150 ( 0.000 0.280 -3.116) 3.129 5.230 ( 0.000 5.528 0.045) 5.528 5.505 ( -0.000 -0.307 0.757) 0.817 5.661 ( -0.000 0.900 3.926) 4.028 5.719 ( 0.000 22.543 -16.089) 27.695 6.084 ( 0.000 -1.353 -3.609) 3.854 6.241 ( 0.000 -3.782 -5.460) 6.642 6.349 ( 0.000 4.865 -3.381) 5.925 6.443 ( -0.000 -6.151 -0.392) 6.164 6.631 ( 0.000 -4.558 -7.009) 8.361 6.699 ( 0.000 0.921 -4.242) 4.341 7.876 ( -0.000 -0.576 7.481) 7.503 7.938 ( -0.000 3.043 7.794) 8.367 8.043 ( 0.000 4.195 1.566) 4.478 8.668 ( 0.000 -4.569 -12.137) 12.969 8.712 ( 0.000 -4.833 -5.180) 7.084 8.907 ( 0.000 4.013 -3.462) 5.300 9.214 ( -0.000 -3.305 26.916) 27.118 9.399 ( -0.000 1.544 10.198) 10.314 9.506 ( -0.000 8.096 5.001) 9.516 9.838 ( 0.000 1.419 -3.604) 3.873 9.855 ( 0.000 4.740 -11.287) 12.242 10.036 ( -0.000 -1.165 8.747) 8.824 10.098 ( -0.000 2.432 6.136) 6.600 10.496 ( 0.000 -2.461 -19.389) 19.544 10.900 ( 0.000 -4.441 -4.901) 6.614 10.923 ( 0.000 -3.804 -5.174) 6.422 11.123 ( -0.000 -3.095 1.053) 3.269 11.228 ( 0.000 4.471 -0.674) 4.522 11.248 ( -0.000 -6.780 1.180) 6.882 11.400 ( -0.000 5.184 2.884) 5.932 11.650 ( 0.000 10.878 -5.526) 12.201 12.233 ( -0.000 -1.459 10.505) 10.606 12.832 ( -0.000 -18.231 8.923) 20.297 13.360 ( 0.000 -2.454 -7.308) 7.709 16.483 ( -0.000 1.763 8.890) 9.063 16.509 ( -0.000 2.466 10.713) 10.993 17.068 ( -0.000 -21.504 12.359) 24.803 17.263 ( 0.000 2.142 -7.559) 7.856 17.333 ( 0.000 1.845 -9.576) 9.753 18.035 ( -0.000 -7.957 3.415) 8.659 18.137 ( -0.000 -0.368 4.424) 4.439 18.518 ( -0.000 -1.722 0.874) 1.931 18.575 ( -0.000 0.767 3.870) 3.945 18.831 ( -0.000 0.368 4.755) 4.769 18.988 ( 0.000 0.314 -2.105) 2.129 19.338 ( 0.000 10.154 -7.716) 12.753 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 7.271 12.924 24.731) 28.836 1.278 ( 7.542 13.534 24.137) 28.682 2.326 ( 10.012 18.101 42.928) 47.652 3.108 ( -14.068 -11.727 -6.503) 19.435 3.176 ( -15.798 -6.779 -9.853) 19.814 3.484 ( 2.931 -3.814 1.743) 5.117 3.620 ( 7.279 0.302 -7.415) 10.395 3.663 ( -2.255 4.203 2.160) 5.236 3.751 ( 0.648 -0.122 2.684) 2.763 3.809 ( 9.014 -2.259 -4.746) 10.435 3.953 ( -1.023 -1.944 9.980) 10.219 4.013 ( 2.536 7.654 -0.566) 8.083 4.243 ( -1.316 -5.395 1.187) 5.679 4.357 ( 0.668 -2.458 2.175) 3.350 4.454 ( 2.945 1.730 -13.143) 13.580 4.526 ( -5.162 -0.640 10.461) 11.683 4.626 ( -13.482 4.701 -2.666) 14.525 4.734 ( 1.903 -4.423 -13.161) 14.014 5.056 ( -3.918 -3.811 -3.346) 6.409 5.095 ( 0.685 1.636 -3.689) 4.094 5.348 ( 12.154 4.748 -3.436) 13.493 5.533 ( 3.825 -0.536 2.195) 4.443 5.725 ( 0.856 3.163 2.046) 3.863 5.739 ( 4.500 9.455 -11.360) 15.450 6.021 ( -0.186 -3.333 -3.825) 5.077 6.149 ( 2.531 -3.138 -8.430) 9.345 6.306 ( -4.439 1.587 -2.975) 5.574 6.387 ( 0.164 -0.830 -4.328) 4.410 6.514 ( -0.810 -7.714 -3.718) 8.602 6.658 ( -3.941 1.228 0.721) 4.190 7.974 ( 0.543 -0.049 9.230) 9.246 8.063 ( 2.033 1.370 7.993) 8.361 8.115 ( 2.659 4.660 1.905) 5.694 8.477 ( -3.731 -4.219 -8.676) 10.344 8.635 ( 3.950 -2.873 -9.924) 11.060 8.886 ( -2.830 -2.231 1.452) 3.885 9.427 ( -2.945 0.594 10.165) 10.600 9.549 ( -5.068 4.143 10.523) 12.393 9.594 ( -2.910 1.217 12.750) 13.134 9.741 ( 5.141 3.950 -6.476) 9.164 9.880 ( 9.158 5.216 -9.359) 14.095 10.146 ( -0.514 -1.408 1.870) 2.397 10.185 ( -1.360 -0.979 10.590) 10.722 10.238 ( -1.999 -0.356 -14.398) 14.540 10.811 ( 0.793 -5.884 -4.056) 7.190 10.841 ( 1.039 -4.891 -3.607) 6.165 11.102 ( -1.311 -1.587 -1.739) 2.695 11.133 ( -6.565 -2.255 0.832) 6.991 11.319 ( 5.765 0.725 0.314) 5.818 11.464 ( -2.148 5.727 2.907) 6.772 11.721 ( 8.182 8.576 -6.230) 13.390 12.323 ( -2.134 -4.472 10.325) 11.452 12.764 ( -4.336 -6.265 5.620) 9.467 13.223 ( -2.144 -3.068 -10.609) 11.250 16.609 ( 0.691 3.004 9.153) 9.658 16.676 ( 2.390 3.137 10.015) 10.763 17.024 ( -4.196 -8.151 7.628) 11.926 17.193 ( -4.370 0.620 -6.857) 8.154 17.222 ( 2.212 4.706 -8.565) 10.019 17.931 ( -10.341 -7.184 3.875) 13.174 18.213 ( 3.281 -0.406 4.156) 5.311 18.477 ( -2.964 -0.943 -1.187) 3.329 18.705 ( 8.196 -0.136 5.234) 9.726 18.899 ( 0.901 0.556 5.724) 5.821 18.962 ( 0.086 0.864 -3.056) 3.177 19.329 ( 0.982 3.854 -6.640) 7.740 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 11.288 13.865 20.908) 27.510 1.767 ( 12.406 11.084 22.459) 27.949 2.695 ( -19.849 -9.039 -14.623) 26.258 2.706 ( -19.252 -10.276 -9.859) 23.947 2.975 ( 4.890 12.857 22.399) 26.286 3.512 ( -5.507 -1.997 6.421) 8.692 3.632 ( 8.149 -2.937 -4.650) 9.832 3.744 ( -1.476 0.327 3.308) 3.637 3.796 ( 7.133 5.570 0.745) 9.080 3.896 ( 11.893 -1.076 -2.180) 12.139 4.016 ( -0.969 -4.136 7.027) 8.212 4.081 ( 3.863 8.890 -6.009) 11.404 4.153 ( -2.603 -2.428 -3.930) 5.302 4.248 ( -3.280 -3.899 -8.620) 10.013 4.380 ( 1.595 -3.332 -5.186) 6.368 4.496 ( -2.620 2.327 -3.826) 5.188 4.609 ( -7.970 0.684 -1.568) 8.151 4.637 ( -7.245 -0.586 17.341) 18.803 4.946 ( -2.079 -0.214 -2.687) 3.404 5.078 ( -1.561 -2.089 2.141) 3.374 5.494 ( 14.072 4.101 -8.562) 16.974 5.625 ( 5.533 -0.367 2.143) 5.945 5.700 ( 1.976 3.446 -10.220) 10.965 5.773 ( 2.142 3.718 -0.903) 4.385 5.954 ( -0.615 -3.972 -2.199) 4.582 6.094 ( 8.116 -2.570 -8.976) 12.371 6.215 ( -5.651 -5.529 2.156) 8.195 6.344 ( -0.254 6.516 -6.602) 9.280 6.436 ( -0.256 -7.465 2.305) 7.817 6.635 ( -7.402 2.141 6.152) 9.860 8.094 ( 1.368 1.120 8.862) 9.036 8.123 ( 2.989 -1.681 -5.587) 6.555 8.206 ( 1.562 4.227 -0.879) 4.591 8.366 ( -2.500 -3.193 5.589) 6.905 8.564 ( 4.975 -2.366 -7.788) 9.540 8.834 ( -5.410 -5.269 4.393) 8.737 9.407 ( -3.989 4.379 -12.031) 13.410 9.476 ( -5.367 3.596 6.391) 9.087 9.798 ( 7.527 2.557 -10.072) 12.831 9.851 ( 2.559 3.490 -12.331) 13.068 9.905 ( -1.264 -1.226 20.546) 20.622 9.967 ( 5.957 4.946 -14.750) 16.659 10.191 ( -5.941 -3.806 7.896) 10.589 10.332 ( -3.478 -1.355 16.025) 16.454 10.754 ( 2.707 -4.820 -2.797) 6.195 10.809 ( 2.929 -6.136 0.859) 6.854 11.012 ( -3.816 0.882 -4.246) 5.776 11.089 ( -2.818 -3.299 2.897) 5.217 11.395 ( 4.196 2.060 -0.643) 4.719 11.497 ( -2.855 4.871 2.145) 6.040 11.824 ( 9.454 6.010 -6.339) 12.872 12.316 ( -6.319 -7.647 6.895) 12.081 12.805 ( 1.962 1.850 6.965) 7.469 13.026 ( -3.578 -3.016 -13.336) 14.133 16.728 ( 2.066 3.907 2.669) 5.163 16.783 ( 1.934 3.215 -2.009) 4.256 16.985 ( -4.706 -2.220 -1.770) 5.496 17.083 ( -7.593 -1.132 7.909) 11.022 17.285 ( 7.299 4.595 2.155) 8.890 17.781 ( -12.010 -6.349 5.149) 14.528 18.300 ( 3.453 -0.024 3.298) 4.775 18.408 ( -2.914 -0.452 -2.962) 4.179 18.848 ( 5.381 -1.112 3.585) 6.561 18.916 ( -0.341 0.001 -3.182) 3.201 19.024 ( 4.820 2.487 5.902) 8.016 19.259 ( -2.195 0.329 -7.113) 7.451 ======================= Grid point 13 (9/65) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -22.001 -6.880 -18.672) 29.665 2.195 ( 0.747 5.976 8.221) 10.191 2.238 ( -6.715 -1.527 -1.762) 7.109 2.270 ( 10.603 7.830 16.320) 20.978 3.243 ( 3.284 5.115 3.557) 7.043 3.358 ( -20.905 -4.161 -1.652) 21.379 3.644 ( 1.420 -0.187 -4.977) 5.179 3.744 ( 3.760 -2.258 1.615) 4.674 3.900 ( 5.234 -2.381 -3.833) 6.910 3.962 ( 3.675 -2.795 -5.950) 7.532 4.017 ( 4.114 4.646 -8.676) 10.667 4.084 ( 2.145 3.942 -1.253) 4.660 4.157 ( 1.255 -4.815 2.076) 5.391 4.289 ( -3.426 -3.430 -0.887) 4.929 4.338 ( 2.899 0.349 0.152) 2.924 4.362 ( -0.089 1.190 10.373) 10.442 4.517 ( -7.163 4.233 2.580) 8.711 4.762 ( -5.954 0.237 16.155) 17.219 4.934 ( 2.492 2.348 -1.985) 3.957 5.091 ( -3.117 -2.424 8.598) 9.462 5.534 ( 8.754 1.690 -14.886) 17.352 5.644 ( 2.080 0.450 -6.621) 6.955 5.713 ( 3.503 3.111 0.965) 4.783 5.826 ( 8.400 3.836 -9.046) 12.927 5.924 ( 0.026 -4.782 6.981) 8.461 6.116 ( 10.378 -3.689 -5.763) 12.431 6.141 ( -4.138 -5.622 4.548) 8.331 6.338 ( -0.389 5.642 -1.409) 5.828 6.446 ( 0.583 -3.339 5.309) 6.299 6.641 ( -7.906 3.077 9.743) 12.919 8.010 ( 0.702 -2.311 -12.004) 12.245 8.157 ( -0.935 0.269 -7.239) 7.304 8.233 ( 3.965 1.847 4.271) 6.113 8.424 ( -5.020 -2.722 10.276) 11.756 8.596 ( 6.860 -1.193 1.941) 7.229 8.794 ( -3.105 -5.438 7.891) 10.074 9.282 ( -0.467 6.219 -10.954) 12.605 9.496 ( -2.181 2.356 -14.779) 15.124 9.549 ( -1.937 2.068 -7.706) 8.210 9.867 ( 6.801 3.265 -10.993) 13.332 9.934 ( 4.740 7.416 -13.758) 16.332 10.145 ( -3.716 -4.311 11.456) 12.792 10.189 ( -3.678 -1.822 19.454) 19.883 10.427 ( -5.056 -3.521 14.717) 15.955 10.742 ( 3.760 -3.260 -1.450) 5.183 10.829 ( -1.080 -2.688 4.149) 5.060 10.946 ( 3.327 -3.363 -4.242) 6.354 11.073 ( -2.194 -0.757 3.821) 4.470 11.420 ( -0.388 3.281 -3.420) 4.755 11.540 ( -1.257 2.163 6.013) 6.513 11.905 ( 8.696 4.613 -7.644) 12.463 12.229 ( -7.666 -6.830 4.475) 11.200 12.794 ( -3.755 -2.063 -15.387) 15.972 12.964 ( 5.715 3.426 7.437) 9.985 16.741 ( 1.544 3.053 -11.604) 12.097 16.752 ( 0.692 1.983 -6.366) 6.704 16.843 ( -7.044 -0.027 -5.366) 8.855 17.157 ( -4.546 -1.387 17.815) 18.439 17.493 ( 7.144 4.085 9.920) 12.889 17.649 ( -12.008 -5.127 7.163) 14.893 18.301 ( -0.730 -1.319 -6.313) 6.490 18.401 ( 0.974 1.314 4.369) 4.665 18.854 ( -0.112 -0.563 -4.882) 4.916 18.928 ( 2.180 -1.429 2.233) 3.433 19.115 ( -3.343 -1.153 -7.197) 8.019 19.197 ( 5.083 2.302 5.198) 7.626 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -22.876 -5.316 -21.145) 31.602 1.713 ( -25.586 -8.630 -10.413) 28.940 2.645 ( 15.859 11.472 8.689) 21.415 2.694 ( 5.387 2.966 9.241) 11.100 2.871 ( -24.648 -3.933 -5.710) 25.604 3.340 ( 3.105 3.377 0.546) 4.620 3.595 ( 0.175 1.718 -5.689) 5.945 3.758 ( 2.136 -6.246 -2.184) 6.953 3.829 ( 0.727 -1.796 -7.425) 7.674 3.947 ( -2.333 0.941 -3.582) 4.377 4.006 ( -1.415 -3.373 -6.444) 7.410 4.049 ( 3.968 2.012 -1.017) 4.563 4.156 ( -0.612 -1.937 -0.267) 2.049 4.227 ( 5.158 -4.767 3.199) 7.718 4.369 ( -9.287 1.517 -1.981) 9.617 4.404 ( 2.186 5.408 5.392) 7.943 4.748 ( 5.396 0.125 13.226) 14.284 4.855 ( 2.458 2.854 11.157) 11.775 5.002 ( 0.644 0.319 7.215) 7.251 5.133 ( -3.780 0.999 6.884) 7.916 5.476 ( 3.945 1.103 -9.670) 10.502 5.571 ( -0.475 -0.670 -9.108) 9.145 5.742 ( -0.728 -1.753 -0.456) 1.952 5.896 ( 11.219 6.196 -5.405) 13.910 6.033 ( 6.795 -2.549 6.589) 9.802 6.116 ( -0.835 -3.637 3.798) 5.324 6.177 ( 5.373 -3.938 2.203) 7.016 6.375 ( 0.831 7.597 -2.756) 8.125 6.511 ( 1.490 -4.075 9.023) 10.012 6.701 ( -4.815 3.309 10.855) 12.327 7.886 ( 0.881 -1.063 -8.625) 8.735 8.026 ( -1.301 -1.984 -10.047) 10.323 8.355 ( 4.908 2.722 2.807) 6.275 8.377 ( -9.716 -2.690 4.193) 10.919 8.714 ( 5.794 -5.407 6.715) 10.387 8.866 ( 1.597 -0.325 8.518) 8.672 9.190 ( -1.854 0.881 -22.469) 22.563 9.262 ( 2.587 6.671 -6.292) 9.528 9.569 ( -0.972 1.469 -0.408) 1.808 9.841 ( 4.855 5.268 -14.566) 16.233 9.869 ( -0.070 4.008 -6.034) 7.244 10.106 ( -7.124 -4.598 5.310) 10.005 10.368 ( -0.915 -0.359 12.454) 12.492 10.516 ( -2.063 -6.118 17.047) 18.229 10.764 ( 3.523 0.136 -2.308) 4.214 10.807 ( -2.669 1.038 0.501) 2.907 10.955 ( 6.416 -4.510 -1.648) 8.014 11.116 ( 0.628 -0.244 5.454) 5.495 11.376 ( -2.678 2.251 -3.749) 5.128 11.609 ( -3.234 -0.546 9.555) 10.103 11.947 ( 7.860 3.727 -9.743) 13.061 12.121 ( -8.561 -5.310 3.240) 10.582 12.563 ( -2.295 -0.157 -16.832) 16.988 13.149 ( 6.769 2.786 6.009) 9.470 16.629 ( -2.356 0.485 -8.954) 9.271 16.649 ( -1.889 -0.959 -9.761) 9.989 16.702 ( -4.176 2.337 -8.698) 9.928 17.301 ( -3.025 0.121 16.202) 16.483 17.548 ( -10.360 -3.654 7.254) 13.165 17.729 ( 5.766 3.341 10.720) 12.623 18.200 ( -0.910 -1.016 -7.339) 7.465 18.472 ( 0.566 1.317 3.946) 4.198 18.781 ( -1.076 -1.492 -5.615) 5.909 18.911 ( -1.677 -3.941 -5.210) 6.745 19.006 ( -2.122 1.114 -0.148) 2.401 19.339 ( 5.357 1.409 3.865) 6.754 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -22.758 -2.784 -16.123) 28.029 1.207 ( -27.658 -5.263 -7.706) 29.190 2.082 ( -42.946 -8.860 -14.982) 46.339 2.981 ( 15.951 6.081 1.852) 17.171 3.128 ( 12.472 5.340 11.078) 17.515 3.430 ( 3.281 3.024 4.215) 6.138 3.562 ( 1.067 2.724 -4.079) 5.019 3.682 ( 2.834 -5.587 -7.057) 9.436 3.764 ( -0.383 -1.168 -4.034) 4.217 3.841 ( -7.518 -4.309 2.662) 9.065 3.917 ( 1.996 3.196 -9.399) 10.126 4.074 ( -4.702 -6.943 3.680) 9.157 4.129 ( -1.832 2.432 -2.750) 4.103 4.237 ( -5.560 3.852 -2.073) 7.074 4.333 ( 8.835 -4.257 1.821) 9.975 4.542 ( 0.866 9.274 3.371) 9.906 4.823 ( 4.458 -8.835 4.806) 11.001 5.063 ( -0.856 0.135 7.815) 7.863 5.135 ( 3.715 2.913 11.512) 12.443 5.161 ( -0.412 2.290 1.402) 2.716 5.413 ( -2.938 -2.747 -6.638) 7.762 5.486 ( 0.420 7.354 -3.477) 8.145 5.669 ( -2.395 -7.001 -2.265) 7.738 6.073 ( 11.804 6.886 -0.200) 13.668 6.126 ( -0.508 -1.103 3.164) 3.389 6.183 ( 11.806 -2.332 -0.666) 12.052 6.257 ( 0.191 -2.538 10.097) 10.413 6.406 ( 1.038 3.972 -0.890) 4.201 6.614 ( 3.886 -2.345 6.188) 7.674 6.783 ( -3.104 2.406 7.619) 8.572 7.834 ( 1.274 -0.187 -2.456) 2.773 7.895 ( -1.229 -1.236 -7.199) 7.407 8.242 ( -11.055 -2.167 1.320) 11.343 8.488 ( 7.689 3.196 1.587) 8.477 8.799 ( 5.048 -6.575 3.830) 9.131 8.906 ( 2.531 -0.113 -13.142) 13.384 9.038 ( -3.325 5.164 5.680) 8.366 9.311 ( 1.586 -0.551 1.442) 2.214 9.513 ( -2.461 3.939 -6.665) 8.123 9.728 ( 4.264 -2.152 -12.124) 13.031 9.915 ( -0.930 10.470 -1.164) 10.575 10.034 ( -5.352 -6.500 6.179) 10.444 10.438 ( -4.098 -1.219 8.279) 9.317 10.618 ( -2.799 -6.139 10.404) 12.400 10.769 ( 6.332 3.507 -5.760) 9.251 10.856 ( 2.926 1.643 3.516) 4.861 11.000 ( 7.814 -1.488 -2.653) 8.385 11.179 ( 0.731 -0.737 3.886) 4.022 11.308 ( -3.569 0.965 -2.901) 4.700 11.653 ( -6.554 -3.532 12.781) 14.791 11.947 ( 6.572 2.756 -11.601) 13.615 11.997 ( -9.809 -3.031 1.705) 10.407 12.358 ( -0.815 1.374 -16.975) 17.050 13.305 ( 6.197 1.480 3.363) 7.204 16.487 ( -4.895 -1.922 -6.364) 8.256 16.517 ( -3.408 -1.101 -5.153) 6.276 16.566 ( -2.428 2.853 -10.828) 11.458 17.424 ( -2.134 1.172 9.889) 10.184 17.476 ( -7.985 -2.110 4.680) 9.493 17.923 ( 4.475 2.112 7.483) 8.971 18.109 ( -0.293 -0.725 -5.681) 5.735 18.521 ( -0.735 1.464 3.191) 3.587 18.665 ( -3.096 -3.661 -6.029) 7.703 18.811 ( -1.558 -0.894 -3.258) 3.720 19.010 ( -0.343 0.261 0.895) 0.994 19.442 ( 3.930 0.527 2.502) 4.689 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -23.188 0.000 0.000) 23.188 0.763 ( -29.195 0.000 0.000) 29.195 1.319 ( -49.805 0.000 0.000) 49.805 3.213 ( 15.706 -0.000 -0.000) 15.706 3.376 ( 11.976 -0.000 -0.000) 11.976 3.542 ( 3.720 -0.000 -0.000) 3.720 3.561 ( 1.058 -0.000 -0.000) 1.058 3.636 ( 2.596 -0.000 -0.000) 2.596 3.707 ( -2.755 0.000 0.000) 2.755 3.760 ( -5.906 0.000 0.000) 5.906 3.907 ( 4.612 -0.000 -0.000) 4.612 3.985 ( -7.898 0.000 0.000) 7.898 4.013 ( -10.457 0.000 0.000) 10.457 4.244 ( 3.466 -0.000 -0.000) 3.466 4.399 ( 0.219 -0.000 -0.000) 0.219 4.634 ( 5.850 -0.000 -0.000) 5.850 4.856 ( -0.426 0.000 0.000) 0.426 5.111 ( 2.103 -0.000 -0.000) 2.103 5.180 ( 0.877 -0.000 -0.000) 0.877 5.242 ( -2.036 0.000 0.000) 2.036 5.295 ( -2.853 0.000 0.000) 2.853 5.526 ( -4.368 0.000 0.000) 4.368 5.590 ( 3.778 -0.000 -0.000) 3.778 6.135 ( -0.314 0.000 0.000) 0.314 6.242 ( 7.742 -0.000 -0.000) 7.742 6.293 ( 5.430 -0.000 -0.000) 5.430 6.350 ( 6.947 -0.000 -0.000) 6.947 6.453 ( 1.852 -0.000 -0.000) 1.852 6.696 ( 4.309 -0.000 -0.000) 4.309 6.802 ( -2.626 0.000 0.000) 2.626 7.815 ( -1.530 0.000 0.000) 1.530 7.863 ( 1.774 -0.000 -0.000) 1.774 8.107 ( -8.795 0.000 0.000) 8.795 8.631 ( 9.624 -0.000 -0.000) 9.624 8.822 ( 2.210 -0.000 -0.000) 2.210 8.863 ( 3.304 -0.000 -0.000) 3.304 9.080 ( -4.577 0.000 0.000) 4.577 9.287 ( -0.783 0.000 0.000) 0.783 9.449 ( -5.457 0.000 0.000) 5.457 9.729 ( 7.932 -0.000 -0.000) 7.932 9.899 ( -3.680 0.000 0.000) 3.680 10.032 ( -1.201 0.000 0.000) 1.201 10.481 ( -0.853 0.000 0.000) 0.853 10.547 ( -6.252 0.000 0.000) 6.252 10.863 ( 8.796 -0.000 -0.000) 8.796 10.939 ( 3.738 -0.000 -0.000) 3.738 11.085 ( 9.085 -0.000 -0.000) 9.085 11.201 ( -0.061 0.000 0.000) 0.061 11.245 ( -3.986 0.000 0.000) 3.986 11.681 ( -4.245 0.000 0.000) 4.245 11.849 ( -11.937 0.000 0.000) 11.937 11.917 ( 4.553 -0.000 -0.000) 4.553 12.206 ( -4.058 0.000 0.000) 4.058 13.401 ( 4.582 -0.000 -0.000) 4.582 16.366 ( -4.291 0.000 0.000) 4.291 16.427 ( -5.000 0.000 0.000) 5.000 16.472 ( -1.935 0.000 0.000) 1.935 17.406 ( -5.399 0.000 0.000) 5.399 17.468 ( -1.054 0.000 0.000) 1.054 18.028 ( 3.072 -0.000 -0.000) 3.072 18.069 ( -0.021 0.000 0.000) 0.021 18.547 ( -1.827 0.000 0.000) 1.827 18.553 ( -2.301 0.000 0.000) 2.301 18.777 ( -0.682 0.000 0.000) 0.682 19.013 ( -0.220 0.000 0.000) 0.220 19.507 ( 2.993 -0.000 -0.000) 2.993 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -0.000 12.879 24.555) 27.728 1.594 ( -0.000 12.982 21.943) 25.496 2.823 ( -0.000 10.173 28.059) 29.846 3.103 ( -0.000 -12.865 -1.700) 12.977 3.239 ( -0.000 0.531 1.005) 1.137 3.300 ( 0.000 -6.636 -23.562) 24.478 3.398 ( -0.000 1.877 1.233) 2.246 3.716 ( 0.000 3.788 -1.323) 4.012 3.737 ( -0.000 1.176 0.860) 1.457 3.815 ( -0.000 -0.200 5.383) 5.387 4.037 ( -0.000 1.253 0.730) 1.450 4.092 ( -0.000 3.266 10.362) 10.865 4.217 ( -0.000 -3.571 0.298) 3.583 4.226 ( 0.000 -0.077 -15.654) 15.654 4.353 ( 0.000 -3.956 -3.196) 5.085 4.542 ( 0.000 -1.194 -9.913) 9.984 4.708 ( -0.000 1.869 8.238) 8.448 4.814 ( -0.000 5.831 5.153) 7.782 5.005 ( -0.000 -5.521 4.978) 7.433 5.044 ( 0.000 -2.612 -3.880) 4.678 5.260 ( 0.000 4.728 -5.845) 7.518 5.502 ( -0.000 -1.322 0.446) 1.395 5.687 ( 0.000 6.468 -6.601) 9.242 5.739 ( 0.000 4.250 -5.031) 6.586 5.961 ( -0.000 -6.957 1.266) 7.071 5.975 ( 0.000 -0.842 -15.617) 15.640 6.310 ( -0.000 -8.476 -1.239) 8.566 6.322 ( 0.000 11.027 -7.611) 13.399 6.450 ( -0.000 -8.596 2.227) 8.879 6.738 ( -0.000 1.070 6.803) 6.886 8.072 ( 0.000 -1.990 -3.566) 4.084 8.080 ( -0.000 0.625 9.337) 9.358 8.180 ( -0.000 5.307 3.425) 6.317 8.425 ( -0.000 -4.137 3.210) 5.237 8.467 ( 0.000 -3.234 -10.482) 10.969 8.916 ( -0.000 -4.816 4.722) 6.745 9.543 ( 0.000 5.878 -19.933) 20.781 9.573 ( -0.000 5.225 4.076) 6.627 9.672 ( 0.000 5.377 0.412) 5.393 9.696 ( 0.000 4.692 -9.644) 10.725 9.925 ( 0.000 0.837 -25.701) 25.715 9.932 ( -0.000 -2.061 27.955) 28.031 10.300 ( -0.000 -2.457 11.593) 11.851 10.357 ( -0.000 -0.974 15.132) 15.163 10.695 ( 0.000 -9.091 -4.307) 10.059 10.746 ( 0.000 -6.118 -2.914) 6.776 11.095 ( -0.000 -2.278 0.968) 2.475 11.229 ( -0.000 -2.450 3.788) 4.511 11.236 ( 0.000 4.744 -3.566) 5.935 11.581 ( -0.000 3.975 5.581) 6.852 11.643 ( 0.000 8.828 -8.032) 11.935 12.392 ( -0.000 -7.276 6.752) 9.926 12.794 ( -0.000 -0.924 2.752) 2.903 13.075 ( 0.000 -3.097 -13.934) 14.274 16.702 ( -0.000 3.859 2.360) 4.523 16.756 ( 0.000 3.518 0.629) 3.574 17.109 ( -0.000 -1.731 12.375) 12.496 17.129 ( 0.000 4.299 -8.239) 9.293 17.203 ( -0.000 -0.525 1.989) 2.057 18.041 ( -0.000 -9.593 9.646) 13.604 18.190 ( 0.000 0.179 -0.192) 0.262 18.501 ( -0.000 -3.316 0.858) 3.425 18.681 ( -0.000 1.422 3.382) 3.669 18.924 ( 0.000 1.197 -4.701) 4.851 18.963 ( -0.000 0.773 5.587) 5.640 19.286 ( 0.000 2.903 -5.834) 6.517 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 5.268 12.234 17.954) 22.356 1.982 ( 6.087 11.237 22.678) 26.031 2.720 ( -20.623 -6.695 -18.286) 28.364 2.814 ( -19.845 -8.757 -4.230) 22.100 3.130 ( 7.582 0.423 -1.443) 7.730 3.392 ( 14.851 -1.685 -1.481) 15.020 3.607 ( 0.332 4.435 6.455) 7.839 3.734 ( 2.451 -0.476 -4.189) 4.877 3.796 ( 4.467 7.264 4.881) 9.826 3.873 ( 2.504 0.981 6.356) 6.902 4.027 ( -4.402 -4.302 -3.277) 6.974 4.067 ( -8.891 0.586 -6.922) 11.283 4.108 ( 1.557 -0.281 -4.115) 4.409 4.216 ( 0.068 2.853 10.981) 11.346 4.332 ( 1.830 -3.460 0.668) 3.971 4.500 ( 0.136 1.111 0.176) 1.133 4.702 ( -6.655 -0.147 -1.846) 6.908 4.897 ( -3.101 2.983 8.482) 9.511 4.967 ( -3.730 1.160 -1.914) 4.350 5.108 ( 1.636 -6.445 14.013) 15.511 5.257 ( 8.070 3.718 -9.981) 13.363 5.537 ( 5.901 0.314 -2.562) 6.441 5.629 ( -0.628 2.575 -5.802) 6.379 5.703 ( 2.163 2.065 -9.730) 10.179 5.834 ( 6.851 -0.234 -13.143) 14.823 5.957 ( 0.458 -5.926 5.607) 8.171 6.219 ( -1.650 -7.477 -0.837) 7.703 6.337 ( 0.557 10.411 -5.759) 11.911 6.436 ( -0.007 -7.258 6.164) 9.522 6.815 ( -4.031 1.639 9.414) 10.371 7.968 ( 1.510 -4.190 -10.972) 11.842 8.167 ( 0.943 1.319 0.003) 1.621 8.214 ( -2.985 3.268 -0.464) 4.450 8.399 ( 6.097 -2.660 0.972) 6.723 8.504 ( -0.738 -4.455 13.997) 14.707 8.908 ( -3.799 -5.591 4.991) 8.403 9.329 ( -2.319 5.635 -18.246) 19.237 9.519 ( 1.047 1.840 -21.701) 21.804 9.651 ( -4.989 5.045 0.552) 7.117 9.695 ( 3.779 5.554 -16.152) 17.493 9.809 ( 5.181 9.451 -0.814) 10.808 10.172 ( -0.229 -4.081 18.353) 18.803 10.356 ( -7.073 -4.597 11.040) 13.894 10.513 ( -1.032 -0.281 11.687) 11.735 10.628 ( 6.495 -9.099 -0.728) 11.203 10.691 ( 3.304 -7.458 -0.861) 8.202 11.074 ( -5.070 0.186 1.726) 5.360 11.155 ( -5.480 -0.523 2.115) 5.897 11.348 ( 5.938 2.783 0.976) 6.630 11.590 ( -2.860 5.015 -0.172) 5.776 11.716 ( 5.614 4.606 -0.890) 7.316 12.364 ( -2.538 -8.323 2.638) 9.093 12.856 ( 2.067 3.188 4.097) 5.587 12.869 ( -1.510 -2.479 -16.418) 16.673 16.716 ( 0.653 3.576 -5.732) 6.788 16.741 ( -0.038 3.212 -6.083) 6.879 17.022 ( -5.487 3.020 -6.694) 9.167 17.272 ( -2.916 -1.303 14.697) 15.040 17.323 ( 5.133 1.792 14.542) 15.525 17.981 ( -12.135 -5.806 8.335) 15.825 18.242 ( 5.524 -1.382 -0.774) 5.747 18.446 ( -4.072 -1.096 0.553) 4.253 18.784 ( 6.684 -0.386 2.397) 7.111 18.873 ( 0.250 1.226 -5.965) 6.095 19.044 ( 2.512 1.160 4.489) 5.273 19.221 ( -1.798 0.431 -5.845) 6.131 ======================= Grid point 21 (15/65) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -19.965 -4.093 -19.709) 28.352 2.306 ( 3.867 6.647 9.052) 11.878 2.381 ( -6.864 2.882 8.690) 11.443 2.426 ( -7.035 2.290 8.769) 11.473 3.221 ( 7.893 0.824 -1.032) 8.003 3.564 ( 7.585 -1.082 1.327) 7.775 3.586 ( -9.839 -0.043 -2.489) 10.149 3.632 ( -0.607 -4.861 -5.961) 7.716 3.769 ( -1.757 -0.066 -13.411) 13.526 3.846 ( 0.186 -3.008 -2.261) 3.768 3.958 ( -0.573 3.050 -1.454) 3.427 4.071 ( 4.115 -1.868 4.592) 6.442 4.171 ( -1.040 4.151 3.344) 5.431 4.305 ( -2.650 -1.964 -0.584) 3.350 4.376 ( -7.135 -0.400 1.239) 7.253 4.517 ( 0.929 2.181 14.895) 15.083 4.641 ( 0.208 0.832 6.569) 6.625 4.870 ( -2.980 2.151 -6.373) 7.357 5.000 ( -1.082 2.688 7.967) 8.478 5.221 ( -1.742 -5.301 9.233) 10.788 5.289 ( 8.285 2.487 -5.170) 10.078 5.520 ( 2.964 -0.070 -8.922) 9.402 5.630 ( 7.148 2.017 -10.121) 12.554 5.693 ( 6.969 3.473 0.218) 7.789 5.842 ( 6.376 0.678 -5.115) 8.202 6.003 ( 3.766 -6.796 6.513) 10.139 6.155 ( -0.275 -5.443 1.191) 5.579 6.361 ( 0.850 8.283 -3.841) 9.169 6.474 ( 1.280 -4.929 6.779) 8.479 6.867 ( -6.432 2.061 9.461) 11.625 7.838 ( 2.337 -3.274 -10.342) 11.097 8.061 ( -1.364 -1.946 -9.888) 10.169 8.265 ( 0.919 3.495 2.944) 4.661 8.539 ( 6.957 -1.613 7.153) 10.108 8.601 ( -4.416 -4.727 12.841) 14.378 8.858 ( -3.200 -5.396 3.453) 7.161 9.192 ( 2.564 5.369 -14.283) 15.473 9.268 ( -3.008 2.595 -18.110) 18.541 9.565 ( 2.312 0.890 -10.983) 11.259 9.719 ( 2.156 9.767 -6.193) 11.765 9.905 ( -1.384 9.361 0.553) 9.479 10.250 ( -3.371 -5.688 6.342) 9.161 10.384 ( -0.949 -3.516 11.681) 12.235 10.540 ( -1.795 -5.279 3.280) 6.469 10.654 ( 4.532 -4.147 0.433) 6.159 10.749 ( 8.051 -5.966 2.466) 10.319 11.010 ( -9.516 2.288 3.437) 10.373 11.135 ( -1.797 -1.689 3.682) 4.431 11.411 ( 0.944 3.430 -2.844) 4.554 11.644 ( -0.290 1.844 9.036) 9.227 11.797 ( 4.034 3.526 -1.610) 5.595 12.285 ( -3.987 -6.094 1.185) 7.378 12.628 ( -2.102 -1.389 -18.548) 18.719 12.983 ( 5.195 3.198 4.444) 7.548 16.653 ( -1.082 2.733 -7.639) 8.185 16.689 ( -0.453 1.520 -6.469) 6.661 16.885 ( -7.460 1.902 -5.643) 9.546 17.403 ( -3.948 -1.033 17.117) 17.596 17.569 ( 5.752 2.113 12.972) 14.346 17.867 ( -12.841 -3.169 6.657) 14.807 18.221 ( -0.327 -2.000 -6.002) 6.335 18.455 ( 0.422 1.639 4.434) 4.746 18.798 ( -0.388 0.082 -5.554) 5.568 18.876 ( 4.111 -1.512 -0.607) 4.422 19.087 ( -2.208 -0.121 -3.714) 4.322 19.184 ( 4.610 0.701 1.696) 4.962 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -24.088 -2.351 -13.696) 27.809 1.939 ( -27.927 -4.345 -3.938) 28.536 2.618 ( 11.292 6.617 5.516) 14.203 2.771 ( 8.079 4.970 12.280) 15.517 3.186 ( -32.516 -3.510 -2.928) 32.836 3.336 ( 6.135 3.126 2.707) 7.399 3.529 ( 1.111 -1.753 -4.596) 5.043 3.629 ( -0.302 -4.215 -6.320) 7.603 3.683 ( 4.189 0.708 -7.893) 8.964 3.894 ( 11.801 1.236 -0.124) 11.866 3.974 ( -0.496 3.210 -0.885) 3.366 4.060 ( -3.954 -7.783 1.257) 8.820 4.170 ( -2.633 4.896 -2.322) 6.025 4.189 ( -4.659 -6.493 2.440) 8.356 4.419 ( 2.288 7.299 0.535) 7.668 4.540 ( -6.543 -3.115 7.719) 10.587 4.732 ( 0.599 -4.156 -4.017) 5.811 4.977 ( 6.392 8.642 14.760) 18.259 5.095 ( 1.156 1.487 5.370) 5.691 5.181 ( -0.715 -2.824 -3.061) 4.225 5.375 ( 6.054 -1.072 -4.760) 7.775 5.449 ( -0.034 -0.064 -2.669) 2.670 5.710 ( 10.305 4.674 -2.299) 11.547 5.810 ( 0.788 3.634 1.357) 3.959 5.840 ( 9.033 -5.746 -4.555) 11.635 6.110 ( 5.424 -1.121 3.867) 6.755 6.162 ( 3.902 -3.192 2.780) 5.757 6.394 ( 0.803 4.933 -1.714) 5.284 6.536 ( 2.357 -3.175 5.020) 6.390 6.893 ( -5.705 1.693 6.755) 9.003 7.767 ( 3.429 -1.270 -5.421) 6.539 7.932 ( -1.577 -1.867 -6.420) 6.870 8.339 ( 3.319 2.667 1.300) 4.452 8.553 ( -11.123 -1.527 3.597) 11.789 8.673 ( 4.295 -4.710 5.402) 8.355 8.834 ( 2.143 -1.629 -4.684) 5.403 9.088 ( -0.322 2.220 -3.090) 3.818 9.222 ( 4.726 2.760 -2.213) 5.903 9.491 ( 2.125 1.067 -7.345) 7.720 9.691 ( 0.096 3.878 -11.138) 11.794 9.967 ( -3.136 9.113 5.047) 10.879 10.193 ( -6.053 -6.103 1.844) 8.791 10.474 ( 0.160 -0.432 5.725) 5.744 10.543 ( 4.757 -5.820 3.338) 8.225 10.706 ( 4.422 0.173 0.682) 4.478 10.786 ( 4.732 -3.711 -3.496) 6.956 10.953 ( -7.618 0.865 4.142) 8.714 11.158 ( 0.289 -0.443 3.127) 3.171 11.384 ( -1.862 1.908 -3.259) 4.211 11.763 ( -1.548 -1.526 11.479) 11.683 11.841 ( 1.330 2.907 -1.015) 3.354 12.201 ( -5.335 -3.102 1.020) 6.255 12.395 ( -1.313 0.159 -16.778) 16.830 13.124 ( 6.939 1.714 2.755) 7.660 16.574 ( -2.533 1.660 -5.126) 5.954 16.605 ( -2.759 -0.542 -4.537) 5.337 16.737 ( -8.418 1.062 -3.798) 9.296 17.514 ( -4.449 -0.418 12.118) 12.916 17.740 ( -10.165 -1.477 5.060) 11.451 17.788 ( 4.099 1.625 6.814) 8.116 18.122 ( -0.960 -1.015 -6.320) 6.473 18.535 ( 0.073 2.433 5.321) 5.851 18.718 ( -0.985 -1.542 -6.262) 6.524 18.858 ( -1.244 -2.096 -2.715) 3.649 19.027 ( -1.072 0.279 -0.902) 1.429 19.293 ( 6.859 0.516 1.337) 7.007 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -24.739 0.000 0.000) 24.739 1.523 ( -29.048 0.000 0.000) 29.048 2.555 ( -42.538 0.000 0.000) 42.538 2.830 ( 13.079 -0.000 -0.000) 13.079 3.071 ( 9.588 -0.000 -0.000) 9.588 3.494 ( 7.688 -0.000 -0.000) 7.688 3.501 ( -1.553 0.000 0.000) 1.553 3.526 ( 1.986 -0.000 -0.000) 1.986 3.696 ( 3.819 -0.000 -0.000) 3.819 3.925 ( -4.732 0.000 0.000) 4.732 3.926 ( -5.904 0.000 0.000) 5.904 4.128 ( -3.527 0.000 0.000) 3.527 4.141 ( -0.641 0.000 0.000) 0.641 4.153 ( 14.093 -0.000 -0.000) 14.093 4.351 ( -10.128 0.000 0.000) 10.128 4.629 ( -1.564 0.000 0.000) 1.564 4.693 ( 8.837 -0.000 -0.000) 8.837 5.132 ( -1.573 0.000 0.000) 1.573 5.143 ( 1.765 -0.000 -0.000) 1.765 5.228 ( 2.344 -0.000 -0.000) 2.344 5.321 ( 3.607 -0.000 -0.000) 3.607 5.482 ( 2.638 -0.000 -0.000) 2.638 5.703 ( -7.848 0.000 0.000) 7.848 5.947 ( 15.432 -0.000 -0.000) 15.432 5.952 ( 13.068 -0.000 -0.000) 13.068 6.143 ( -0.028 0.000 0.000) 0.028 6.271 ( 6.539 -0.000 -0.000) 6.539 6.406 ( -0.229 0.000 0.000) 0.229 6.592 ( 3.297 -0.000 -0.000) 3.297 6.882 ( -3.729 0.000 0.000) 3.729 7.785 ( 3.982 -0.000 -0.000) 3.982 7.862 ( -1.933 0.000 0.000) 1.933 8.403 ( -12.895 0.000 0.000) 12.895 8.420 ( 6.021 -0.000 -0.000) 6.021 8.727 ( 3.785 -0.000 -0.000) 3.785 8.806 ( 1.686 -0.000 -0.000) 1.686 9.133 ( 0.659 -0.000 -0.000) 0.659 9.267 ( 3.240 -0.000 -0.000) 3.240 9.521 ( 6.154 -0.000 -0.000) 6.154 9.583 ( -3.966 0.000 0.000) 3.966 10.051 ( -0.388 0.000 0.000) 0.388 10.051 ( -7.817 0.000 0.000) 7.817 10.502 ( -0.516 0.000 0.000) 0.516 10.635 ( 8.097 -0.000 -0.000) 8.097 10.710 ( -4.090 0.000 0.000) 4.090 10.842 ( 9.139 -0.000 -0.000) 9.139 10.908 ( -3.003 0.000 0.000) 3.003 11.188 ( 1.069 -0.000 -0.000) 1.069 11.337 ( -3.032 0.000 0.000) 3.032 11.815 ( -5.436 0.000 0.000) 5.436 11.831 ( 2.176 -0.000 -0.000) 2.176 12.115 ( -7.812 0.000 0.000) 7.812 12.272 ( -0.952 0.000 0.000) 0.952 13.241 ( 7.186 -0.000 -0.000) 7.186 16.495 ( -4.821 0.000 0.000) 4.821 16.539 ( -2.927 0.000 0.000) 2.927 16.606 ( -8.345 0.000 0.000) 8.345 17.529 ( -3.852 0.000 0.000) 3.852 17.616 ( -10.413 0.000 0.000) 10.413 17.913 ( 5.539 -0.000 -0.000) 5.539 18.070 ( -0.218 0.000 0.000) 0.218 18.595 ( -1.355 0.000 0.000) 1.355 18.619 ( -2.357 0.000 0.000) 2.357 18.808 ( -1.769 0.000 0.000) 1.769 19.020 ( -0.281 0.000 0.000) 0.281 19.388 ( 6.103 -0.000 -0.000) 6.103 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.000 7.302 10.551) 12.831 2.275 ( -0.000 11.433 20.083) 23.109 2.622 ( 0.000 -5.786 -19.507) 20.347 2.944 ( -0.000 -5.880 -0.709) 5.923 2.945 ( 0.000 -1.456 -1.094) 1.822 3.221 ( 0.000 -0.528 -2.312) 2.372 3.616 ( 0.000 -5.653 -4.457) 7.199 3.647 ( 0.000 2.868 -8.562) 9.030 3.819 ( 0.000 -4.544 -7.066) 8.401 3.883 ( 0.000 3.629 0.649) 3.686 3.981 ( 0.000 2.709 -2.089) 3.421 4.162 ( -0.000 5.557 6.106) 8.257 4.207 ( -0.000 -7.332 2.256) 7.672 4.296 ( -0.000 7.092 11.801) 13.768 4.418 ( -0.000 2.618 15.406) 15.627 4.507 ( -0.000 0.600 1.972) 2.061 4.716 ( 0.000 -1.795 -1.529) 2.358 4.929 ( 0.000 1.776 -3.857) 4.246 5.024 ( -0.000 2.745 1.683) 3.219 5.130 ( 0.000 3.844 -7.009) 7.994 5.266 ( -0.000 -7.285 18.876) 20.233 5.465 ( 0.000 1.306 -4.255) 4.451 5.528 ( 0.000 -0.180 -14.642) 14.643 5.630 ( 0.000 -0.576 -9.057) 9.075 5.640 ( 0.000 1.941 -1.301) 2.337 5.989 ( -0.000 -4.445 6.390) 7.784 6.156 ( -0.000 -6.422 -1.663) 6.634 6.347 ( 0.000 9.320 -5.663) 10.906 6.454 ( -0.000 -5.287 5.686) 7.765 6.961 ( -0.000 1.334 9.305) 9.400 7.801 ( 0.000 -4.139 -10.417) 11.209 8.081 ( 0.000 -1.753 -9.942) 10.095 8.288 ( 0.000 3.828 0.879) 3.928 8.402 ( -0.000 -1.693 11.470) 11.595 8.644 ( -0.000 -6.382 14.974) 16.277 8.951 ( -0.000 -4.453 4.152) 6.089 9.143 ( 0.000 4.658 -19.657) 20.201 9.313 ( 0.000 1.495 -19.551) 19.608 9.500 ( 0.000 5.047 -13.543) 14.453 9.720 ( 0.000 8.443 -5.870) 10.283 9.918 ( -0.000 12.206 7.200) 14.171 10.290 ( -0.000 -4.013 9.532) 10.343 10.434 ( -0.000 -13.955 -1.815) 14.072 10.525 ( -0.000 -1.809 6.850) 7.085 10.602 ( -0.000 -8.428 -0.965) 8.483 10.630 ( -0.000 0.940 7.557) 7.615 11.133 ( -0.000 -2.752 4.783) 5.518 11.238 ( 0.000 3.348 -1.637) 3.726 11.333 ( -0.000 1.656 2.861) 3.305 11.656 ( -0.000 4.782 5.866) 7.568 11.734 ( -0.000 2.281 3.323) 4.030 12.335 ( -0.000 -6.641 0.199) 6.644 12.657 ( 0.000 -1.959 -19.388) 19.487 12.910 ( -0.000 3.386 3.457) 4.839 16.670 ( 0.000 2.571 -5.749) 6.297 16.693 ( 0.000 2.631 -5.993) 6.546 17.004 ( 0.000 3.350 -6.708) 7.498 17.463 ( -0.000 -0.993 16.618) 16.648 17.474 ( -0.000 0.802 14.942) 14.963 18.125 ( 0.000 0.587 -6.227) 6.255 18.176 ( -0.000 -5.247 11.518) 12.656 18.462 ( -0.000 -2.798 0.249) 2.809 18.772 ( -0.000 3.224 1.274) 3.467 18.803 ( 0.000 0.810 -6.219) 6.272 19.080 ( -0.000 0.654 3.381) 3.443 19.163 ( 0.000 -1.303 -6.193) 6.328 ======================= Grid point 29 (19/65) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -10.055 -1.759 -11.433) 15.327 2.428 ( -5.003 2.231 4.376) 7.011 2.577 ( 3.556 7.667 13.997) 16.350 2.681 ( -22.419 -1.324 0.226) 22.459 3.055 ( 13.004 -0.762 -0.921) 13.059 3.385 ( 19.249 0.545 0.589) 19.266 3.506 ( 0.695 -5.077 -6.342) 8.153 3.587 ( 0.285 -0.345 -3.851) 3.877 3.664 ( -3.020 -3.063 -9.358) 10.300 3.867 ( -3.891 -0.738 -1.439) 4.213 4.016 ( -2.144 5.824 0.413) 6.220 4.114 ( -4.855 -5.538 3.862) 8.316 4.267 ( 1.748 4.950 2.130) 5.666 4.347 ( -6.087 -0.501 2.232) 6.503 4.511 ( -11.913 0.469 0.503) 11.933 4.584 ( 3.083 -5.097 3.125) 6.727 4.786 ( 1.178 8.018 17.858) 19.610 4.878 ( -3.753 3.148 -3.052) 5.771 5.038 ( 3.856 1.338 -1.347) 4.298 5.138 ( 1.677 1.792 -2.315) 3.374 5.291 ( 1.325 -8.179 -8.024) 11.534 5.436 ( 0.689 1.373 3.231) 3.578 5.480 ( 4.422 1.067 -1.816) 4.898 5.571 ( 5.192 -1.993 -4.733) 7.303 5.760 ( 10.635 5.559 2.204) 12.201 6.000 ( -2.443 -5.588 3.616) 7.090 6.115 ( 1.580 -3.506 -0.024) 3.845 6.353 ( 1.332 5.624 -4.128) 7.102 6.486 ( 1.292 -2.847 3.655) 4.810 7.034 ( -3.576 0.941 5.936) 6.993 7.690 ( 1.817 -2.354 -6.300) 6.966 7.966 ( -0.785 -1.761 -6.213) 6.506 8.313 ( -0.567 2.197 1.072) 2.510 8.554 ( 3.263 -0.763 9.823) 10.379 8.713 ( -0.460 -5.137 5.487) 7.531 8.902 ( -6.458 -1.512 -0.069) 6.633 9.050 ( 3.023 1.273 -6.135) 6.957 9.122 ( 2.153 1.402 -13.891) 14.127 9.441 ( 1.347 3.981 -6.059) 7.374 9.701 ( -0.585 6.572 -6.882) 9.534 10.060 ( -3.370 8.895 5.365) 10.921 10.301 ( -2.163 -3.016 2.654) 4.562 10.394 ( 4.917 -6.433 2.589) 8.501 10.511 ( -0.697 -7.401 -1.351) 7.555 10.576 ( 2.767 -2.164 1.007) 3.654 10.709 ( 1.400 0.029 3.092) 3.394 11.152 ( -2.200 -0.315 3.026) 3.754 11.189 ( -5.757 0.273 0.363) 5.775 11.376 ( 2.702 1.868 -2.411) 4.074 11.772 ( -0.288 0.974 3.665) 3.804 11.831 ( 0.403 2.457 14.377) 14.591 12.285 ( -1.427 -3.462 -0.198) 3.750 12.417 ( -0.370 -1.183 -19.533) 19.573 12.983 ( 3.122 1.956 2.105) 4.243 16.624 ( -1.073 1.491 -3.512) 3.963 16.649 ( -0.775 1.125 -3.649) 3.897 16.931 ( -5.005 1.591 -3.442) 6.279 17.614 ( -2.314 -0.565 13.183) 13.396 17.641 ( 3.717 0.447 8.626) 9.404 18.016 ( -5.367 0.329 -4.289) 6.878 18.202 ( -6.417 -2.881 2.648) 7.517 18.488 ( 3.925 -0.061 3.636) 5.350 18.723 ( 0.430 0.634 -7.368) 7.408 18.848 ( 1.225 1.639 2.949) 3.589 19.065 ( -1.509 -1.579 -4.526) 5.026 19.140 ( 3.738 0.085 0.980) 3.865 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -21.389 0.000 0.000) 21.389 2.259 ( -25.417 0.000 0.000) 25.417 2.570 ( 4.103 -0.000 -0.000) 4.103 2.775 ( 7.002 -0.000 -0.000) 7.002 3.227 ( 13.175 -0.000 -0.000) 13.175 3.464 ( 2.317 -0.000 -0.000) 2.317 3.474 ( -14.155 0.000 0.000) 14.155 3.597 ( 2.993 -0.000 -0.000) 2.993 3.667 ( 19.668 -0.000 -0.000) 19.668 3.704 ( -16.231 0.000 0.000) 16.231 4.012 ( -1.907 0.000 0.000) 1.907 4.071 ( -2.598 0.000 0.000) 2.598 4.262 ( -6.893 0.000 0.000) 6.893 4.267 ( -9.751 0.000 0.000) 9.751 4.411 ( 3.121 -0.000 -0.000) 3.121 4.621 ( 2.386 -0.000 -0.000) 2.386 4.726 ( -10.554 0.000 0.000) 10.554 5.098 ( 1.641 -0.000 -0.000) 1.641 5.099 ( 6.867 -0.000 -0.000) 6.867 5.141 ( 4.624 -0.000 -0.000) 4.624 5.161 ( 2.090 -0.000 -0.000) 2.090 5.481 ( -0.965 0.000 0.000) 0.965 5.581 ( 11.473 -0.000 -0.000) 11.473 5.620 ( 9.345 -0.000 -0.000) 9.345 5.918 ( -6.682 0.000 0.000) 6.682 5.991 ( 14.105 -0.000 -0.000) 14.105 6.124 ( 1.490 -0.000 -0.000) 1.490 6.379 ( 2.444 -0.000 -0.000) 2.444 6.521 ( 2.235 -0.000 -0.000) 2.235 7.012 ( -5.454 0.000 0.000) 5.454 7.680 ( 3.439 -0.000 -0.000) 3.439 7.908 ( -1.435 0.000 0.000) 1.435 8.331 ( 1.001 -0.000 -0.000) 1.001 8.635 ( 0.982 -0.000 -0.000) 0.982 8.702 ( -3.311 0.000 0.000) 3.311 8.806 ( -5.330 0.000 0.000) 5.330 9.054 ( 4.499 -0.000 -0.000) 4.499 9.129 ( 5.740 -0.000 -0.000) 5.740 9.441 ( 1.190 -0.000 -0.000) 1.190 9.659 ( -2.099 0.000 0.000) 2.099 10.080 ( -2.632 0.000 0.000) 2.632 10.263 ( -7.165 0.000 0.000) 7.165 10.442 ( 6.715 -0.000 -0.000) 6.715 10.499 ( 1.714 -0.000 -0.000) 1.714 10.624 ( 6.169 -0.000 -0.000) 6.169 10.735 ( 0.572 -0.000 -0.000) 0.572 11.086 ( -8.387 0.000 0.000) 8.387 11.169 ( 0.136 -0.000 -0.000) 0.136 11.385 ( 0.054 -0.000 -0.000) 0.054 11.795 ( 0.667 -0.000 -0.000) 0.667 11.939 ( -3.666 0.000 0.000) 3.666 12.249 ( -2.691 0.000 0.000) 2.691 12.267 ( 0.909 -0.000 -0.000) 0.909 13.062 ( 5.688 -0.000 -0.000) 5.688 16.589 ( -2.240 0.000 0.000) 2.240 16.610 ( -2.196 0.000 0.000) 2.196 16.830 ( -7.932 0.000 0.000) 7.932 17.651 ( -4.551 0.000 0.000) 4.551 17.757 ( 5.803 -0.000 -0.000) 5.803 17.904 ( -9.115 0.000 0.000) 9.115 18.108 ( -4.590 0.000 0.000) 4.590 18.583 ( 3.182 -0.000 -0.000) 3.182 18.664 ( -1.051 0.000 0.000) 1.051 18.861 ( -1.872 0.000 0.000) 1.872 19.024 ( 0.037 -0.000 -0.000) 0.037 19.213 ( 6.259 -0.000 -0.000) 6.259 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.000 -0.000 -0.000) 0.000 2.514 ( 0.000 -0.000 -0.000) 0.000 2.676 ( 0.000 -0.000 -0.000) 0.000 2.912 ( -0.000 0.000 0.000) 0.000 2.919 ( 0.000 -0.000 -0.000) 0.000 3.192 ( 0.000 -0.000 -0.000) 0.000 3.433 ( 0.000 -0.000 -0.000) 0.000 3.563 ( 0.000 -0.000 -0.000) 0.000 3.615 ( 0.000 -0.000 -0.000) 0.000 3.878 ( 0.000 -0.000 -0.000) 0.000 4.102 ( -0.000 0.000 0.000) 0.000 4.103 ( 0.000 -0.000 -0.000) 0.000 4.278 ( 0.000 -0.000 -0.000) 0.000 4.404 ( -0.000 0.000 0.000) 0.000 4.547 ( 0.000 -0.000 -0.000) 0.000 4.644 ( -0.000 0.000 0.000) 0.000 4.915 ( -0.000 0.000 0.000) 0.000 4.975 ( 0.000 -0.000 -0.000) 0.000 5.035 ( 0.000 -0.000 -0.000) 0.000 5.070 ( 0.000 -0.000 -0.000) 0.000 5.135 ( 0.000 -0.000 -0.000) 0.000 5.409 ( 0.000 -0.000 -0.000) 0.000 5.494 ( 0.000 -0.000 -0.000) 0.000 5.509 ( 0.000 -0.000 -0.000) 0.000 5.705 ( 0.000 -0.000 -0.000) 0.000 6.033 ( 0.000 -0.000 -0.000) 0.000 6.082 ( 0.000 -0.000 -0.000) 0.000 6.337 ( 0.000 -0.000 -0.000) 0.000 6.486 ( 0.000 -0.000 -0.000) 0.000 7.096 ( 0.000 -0.000 -0.000) 0.000 7.631 ( 0.000 -0.000 -0.000) 0.000 7.928 ( 0.000 -0.000 -0.000) 0.000 8.329 ( 0.000 -0.000 -0.000) 0.000 8.613 ( 0.000 -0.000 -0.000) 0.000 8.709 ( 0.000 -0.000 -0.000) 0.000 8.977 ( 0.000 -0.000 -0.000) 0.000 8.983 ( -0.000 0.000 0.000) 0.000 8.999 ( 0.000 -0.000 -0.000) 0.000 9.424 ( 0.000 -0.000 -0.000) 0.000 9.689 ( 0.000 -0.000 -0.000) 0.000 10.179 ( -0.000 0.000 0.000) 0.000 10.282 ( 0.000 -0.000 -0.000) 0.000 10.366 ( 0.000 -0.000 -0.000) 0.000 10.451 ( 0.000 -0.000 -0.000) 0.000 10.564 ( 0.000 -0.000 -0.000) 0.000 10.724 ( 0.000 -0.000 -0.000) 0.000 11.171 ( 0.000 -0.000 -0.000) 0.000 11.249 ( 0.000 -0.000 -0.000) 0.000 11.338 ( -0.000 0.000 0.000) 0.000 11.789 ( 0.000 -0.000 -0.000) 0.000 11.990 ( 0.000 -0.000 -0.000) 0.000 12.250 ( 0.000 -0.000 -0.000) 0.000 12.279 ( 0.000 -0.000 -0.000) 0.000 12.982 ( 0.000 -0.000 -0.000) 0.000 16.617 ( 0.000 -0.000 -0.000) 0.000 16.640 ( 0.000 -0.000 -0.000) 0.000 16.952 ( 0.000 -0.000 -0.000) 0.000 17.663 ( 0.000 -0.000 -0.000) 0.000 17.720 ( 0.000 -0.000 -0.000) 0.000 17.992 ( 0.000 -0.000 -0.000) 0.000 18.309 ( -0.000 0.000 0.000) 0.000 18.443 ( 0.000 -0.000 -0.000) 0.000 18.677 ( 0.000 -0.000 -0.000) 0.000 18.888 ( 0.000 -0.000 -0.000) 0.000 19.021 ( 0.000 -0.000 -0.000) 0.000 19.124 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.000 0.000 30.543) 30.543 1.056 ( -0.000 0.000 30.543) 30.543 2.019 ( -0.000 0.000 54.845) 54.845 3.440 ( 0.000 -0.000 -6.260) 6.260 3.440 ( 0.000 -0.000 -6.260) 6.260 3.497 ( 0.000 -0.000 -4.640) 4.640 3.563 ( 0.000 0.000 -4.101) 4.101 3.563 ( 0.000 0.000 -4.101) 4.101 3.661 ( -0.000 0.000 3.950) 3.950 3.844 ( -0.000 -0.000 0.890) 0.890 3.844 ( -0.000 0.000 0.890) 0.890 4.062 ( -0.000 0.000 11.428) 11.428 4.318 ( 0.000 -0.000 -21.443) 21.443 4.330 ( -0.000 0.000 1.472) 1.472 4.330 ( -0.000 0.000 1.472) 1.472 4.712 ( 0.000 0.000 -3.559) 3.559 4.712 ( 0.000 0.000 -3.559) 3.559 4.786 ( 0.000 -0.000 -18.485) 18.485 4.938 ( -0.000 0.000 15.071) 15.071 5.158 ( -0.000 -0.000 -0.726) 0.726 5.158 ( 0.000 0.000 -0.726) 0.726 5.518 ( -0.000 -0.000 1.026) 1.026 5.518 ( -0.000 0.000 1.026) 1.026 5.658 ( 0.000 -0.000 -0.950) 0.950 6.074 ( 0.000 -0.000 -0.646) 0.646 6.197 ( 0.000 -0.000 -11.365) 11.365 6.197 ( 0.000 -0.000 -11.365) 11.365 6.470 ( 0.000 -0.000 -2.418) 2.418 6.645 ( 0.000 -0.000 -0.813) 0.813 6.645 ( 0.000 0.000 -0.813) 0.813 7.994 ( -0.000 0.000 9.079) 9.079 7.994 ( -0.000 0.000 9.079) 9.079 8.049 ( -0.000 0.000 4.106) 4.106 8.590 ( 0.000 -0.000 -11.504) 11.504 8.590 ( 0.000 -0.000 -11.504) 11.504 8.936 ( -0.000 0.000 6.447) 6.447 9.487 ( -0.000 0.000 5.093) 5.093 9.487 ( -0.000 0.000 5.093) 5.093 9.601 ( -0.000 0.000 33.935) 33.935 9.694 ( 0.000 -0.000 -12.629) 12.629 9.694 ( 0.000 -0.000 -12.629) 12.629 10.205 ( -0.000 0.000 13.733) 13.733 10.205 ( -0.000 0.000 13.733) 13.733 10.237 ( 0.000 -0.000 -27.139) 27.139 10.891 ( 0.000 -0.000 -3.961) 3.961 10.891 ( 0.000 -0.000 -3.961) 3.961 11.160 ( 0.000 0.000 -1.969) 1.969 11.160 ( 0.000 0.000 -1.969) 1.969 11.387 ( -0.000 0.000 4.539) 4.539 11.387 ( -0.000 0.000 4.539) 4.539 11.461 ( 0.000 -0.000 -7.337) 7.337 12.357 ( -0.000 0.000 10.260) 10.260 12.953 ( 0.000 -0.000 -6.171) 6.171 13.273 ( 0.000 -0.000 -11.218) 11.218 16.596 ( -0.000 0.000 10.065) 10.065 16.596 ( -0.000 0.000 10.065) 10.065 17.152 ( 0.000 -0.000 -8.737) 8.737 17.212 ( 0.000 -0.000 -6.519) 6.519 17.212 ( 0.000 -0.000 -6.519) 6.519 18.192 ( -0.000 0.000 3.396) 3.396 18.192 ( -0.000 0.000 3.396) 3.396 18.603 ( 0.000 -0.000 4.178) 4.178 18.603 ( 0.000 0.000 4.178) 4.178 18.887 ( -0.000 0.000 5.523) 5.523 18.955 ( 0.000 -0.000 -3.440) 3.440 19.162 ( 0.000 -0.000 -2.698) 2.698 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 4.888 2.822 27.262) 27.840 1.460 ( 6.898 3.983 29.191) 30.258 2.663 ( 6.844 3.951 43.559) 44.270 3.165 ( -15.542 -8.973 -12.401) 21.814 3.207 ( -17.853 -10.308 -4.252) 21.049 3.503 ( 8.340 4.815 -6.052) 11.374 3.576 ( 5.618 3.243 -1.025) 6.567 3.595 ( -0.533 -0.308 -1.375) 1.506 3.718 ( 9.342 5.393 -6.953) 12.834 3.834 ( -2.526 -1.459 2.595) 3.904 3.854 ( 2.563 1.480 -1.314) 3.238 4.139 ( -5.000 -2.886 10.663) 12.125 4.191 ( 4.684 2.704 -12.651) 13.759 4.323 ( -0.969 -0.559 2.088) 2.369 4.407 ( 3.288 1.898 3.668) 5.279 4.484 ( -9.138 -5.276 -12.250) 16.167 4.637 ( 0.164 0.095 -9.374) 9.376 4.752 ( 0.195 0.112 9.411) 9.413 5.080 ( -5.814 -3.357 -2.416) 7.135 5.121 ( 0.188 0.108 9.882) 9.884 5.210 ( 7.172 4.141 -4.298) 9.330 5.540 ( 2.884 1.665 0.588) 3.382 5.585 ( 5.202 3.003 -2.381) 6.461 5.647 ( 2.474 1.428 -5.574) 6.264 6.007 ( -0.823 -0.475 -11.814) 11.853 6.086 ( 0.272 0.157 -0.976) 1.025 6.118 ( 4.621 2.668 -12.131) 13.253 6.405 ( -3.168 -1.829 -3.391) 4.988 6.604 ( -3.546 -2.047 2.603) 4.852 6.678 ( -1.283 -0.741 4.900) 5.119 8.071 ( -0.163 -0.094 7.220) 7.222 8.107 ( 1.813 1.047 2.059) 2.937 8.114 ( 1.297 0.749 4.372) 4.622 8.447 ( -2.432 -1.404 -2.473) 3.742 8.520 ( 2.790 1.611 -8.531) 9.120 8.982 ( -3.396 -1.960 6.472) 7.567 9.441 ( -4.156 -2.400 -12.896) 13.760 9.494 ( -2.046 -1.181 4.046) 4.685 9.629 ( 6.127 3.537 -0.843) 7.125 9.645 ( 7.864 4.540 -15.930) 18.337 9.916 ( -0.349 -0.201 -27.597) 27.600 9.969 ( -1.776 -1.026 32.356) 32.421 10.321 ( -3.422 -1.976 11.669) 12.320 10.370 ( -0.071 -0.041 14.599) 14.600 10.833 ( -1.727 -0.997 -2.732) 3.383 10.856 ( -0.124 -0.072 -0.648) 0.664 11.088 ( -4.120 -2.379 -4.214) 6.355 11.130 ( -0.171 -0.099 -2.089) 2.098 11.394 ( 1.805 1.042 0.932) 2.283 11.395 ( -1.208 -0.698 2.606) 2.956 11.565 ( 8.895 5.136 -1.221) 10.344 12.458 ( -1.025 -0.592 7.829) 7.918 12.838 ( -3.708 -2.141 -3.559) 5.568 13.111 ( -1.795 -1.036 -14.682) 14.827 16.669 ( 0.319 0.184 4.077) 4.094 16.708 ( 2.064 1.191 1.380) 2.754 17.063 ( -0.066 -0.038 -8.660) 8.660 17.174 ( 0.046 0.026 5.784) 5.784 17.188 ( -2.466 -1.424 6.341) 6.952 18.108 ( -10.936 -6.314 4.459) 13.391 18.256 ( 2.179 1.258 3.049) 3.953 18.508 ( -7.571 -4.371 1.018) 8.801 18.753 ( 6.045 3.490 4.828) 8.487 18.910 ( 0.253 0.146 -4.795) 4.804 18.956 ( 0.962 0.556 5.567) 5.677 19.189 ( 4.741 2.737 -5.651) 7.868 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.899 5.138 22.272) 24.528 1.929 ( 10.164 5.868 26.998) 29.439 2.658 ( -21.065 -12.162 -18.482) 30.548 2.793 ( -21.660 -12.505 -6.084) 25.740 3.114 ( 2.505 1.446 18.016) 18.246 3.551 ( 0.827 0.478 -4.881) 4.974 3.605 ( 9.072 5.238 -3.507) 11.047 3.753 ( 8.330 4.810 7.240) 12.040 3.792 ( 0.882 0.509 -2.782) 2.963 3.824 ( -1.331 -0.768 0.616) 1.656 3.948 ( 7.514 4.338 5.538) 10.294 4.099 ( -6.957 -4.017 -11.485) 14.016 4.145 ( 1.631 0.941 -9.493) 9.678 4.159 ( -2.928 -1.691 8.750) 9.381 4.413 ( -1.370 -0.791 4.300) 4.581 4.499 ( 1.014 0.586 4.741) 4.884 4.532 ( -2.090 -1.206 -7.241) 7.633 4.867 ( -3.657 -2.112 13.323) 13.977 4.933 ( -5.367 -3.099 -3.252) 6.999 5.198 ( -1.667 -0.962 8.806) 9.014 5.290 ( 9.359 5.404 -8.717) 13.885 5.561 ( 2.572 1.485 -6.785) 7.406 5.620 ( 3.447 1.990 -3.667) 5.412 5.656 ( 5.904 3.409 -5.803) 8.953 5.905 ( 4.529 2.615 -9.591) 10.924 6.097 ( -0.066 -0.038 2.281) 2.283 6.111 ( 6.880 3.972 -7.073) 10.636 6.303 ( -3.965 -2.289 -2.795) 5.364 6.587 ( -3.441 -1.987 5.337) 6.654 6.707 ( -4.006 -2.313 8.623) 9.785 8.048 ( -0.768 -0.443 -11.226) 11.261 8.147 ( 1.005 0.580 -3.896) 4.065 8.149 ( 1.148 0.663 5.120) 5.289 8.496 ( -0.603 -0.348 12.060) 12.080 8.530 ( 3.482 2.011 1.964) 4.475 8.966 ( -5.965 -3.444 5.790) 8.998 9.229 ( -1.637 -0.945 -13.996) 14.123 9.494 ( -0.290 -0.167 -16.642) 16.646 9.533 ( 0.974 0.562 -4.180) 4.329 9.687 ( 6.515 3.762 -19.669) 21.059 9.720 ( 6.292 3.633 -3.466) 8.049 10.243 ( -3.057 -1.765 23.571) 23.834 10.352 ( -6.382 -3.685 9.640) 12.134 10.507 ( -1.289 -0.744 10.941) 11.042 10.785 ( -0.952 -0.550 -1.509) 1.867 10.881 ( -0.660 -0.381 4.610) 4.673 10.993 ( -1.312 -0.758 -1.356) 2.034 11.090 ( -1.377 -0.795 -2.893) 3.301 11.397 ( -0.684 -0.395 0.326) 0.855 11.473 ( 3.139 1.812 4.970) 6.151 11.689 ( 7.549 4.359 -2.358) 9.030 12.448 ( -5.968 -3.445 1.371) 7.026 12.832 ( 3.324 1.919 3.465) 5.171 12.887 ( -2.918 -1.684 -17.449) 17.771 16.690 ( 0.704 0.406 -6.852) 6.900 16.696 ( 1.576 0.910 -2.092) 2.772 16.946 ( -3.282 -1.895 -6.626) 7.633 17.268 ( -3.724 -2.150 16.223) 16.784 17.340 ( 3.954 2.283 14.495) 15.197 17.959 ( -12.351 -7.131 5.847) 15.414 18.336 ( 2.787 1.609 3.267) 4.586 18.383 ( -5.222 -3.015 -3.495) 6.969 18.856 ( 0.320 0.185 -5.786) 5.798 18.891 ( 3.929 2.268 3.288) 5.603 19.058 ( 4.076 2.354 5.349) 7.125 19.159 ( 0.343 0.198 -7.586) 7.596 ======================= Grid point 79 (25/65) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -22.197 -12.815 -18.551) 31.640 2.230 ( 11.901 6.871 16.032) 21.115 2.317 ( -24.614 -14.211 -6.188) 29.088 2.407 ( 10.904 6.295 24.500) 27.546 3.250 ( 1.955 1.129 3.977) 4.573 3.469 ( -16.404 -9.471 0.440) 18.946 3.587 ( -6.224 -3.593 -7.616) 10.471 3.739 ( 9.095 5.251 -1.218) 10.573 3.781 ( 4.560 2.633 -13.416) 14.412 3.910 ( -2.331 -1.346 -7.287) 7.768 3.912 ( 4.236 2.446 2.809) 5.640 4.052 ( -0.057 -0.033 1.107) 1.109 4.199 ( 5.816 3.358 0.147) 6.717 4.328 ( -9.777 -5.645 -2.649) 11.596 4.419 ( -4.097 -2.366 -0.286) 4.740 4.445 ( 12.864 7.427 20.259) 25.121 4.522 ( -5.016 -2.896 5.568) 8.034 4.889 ( 2.684 1.550 -0.447) 3.132 4.911 ( -3.142 -1.814 7.080) 7.955 5.275 ( -6.345 -3.663 12.684) 14.648 5.312 ( 9.364 5.406 -13.153) 17.027 5.545 ( 4.088 2.360 -6.867) 8.332 5.652 ( 6.348 3.665 -11.030) 13.243 5.663 ( 4.726 2.729 -0.638) 5.494 5.958 ( 7.842 4.527 -2.788) 9.474 6.139 ( 1.758 1.015 2.715) 3.390 6.176 ( 5.920 3.418 -2.451) 7.261 6.216 ( -2.925 -1.689 -1.790) 3.823 6.604 ( -2.224 -1.284 6.512) 7.000 6.740 ( -4.350 -2.512 10.509) 11.648 7.902 ( -0.536 -0.309 -10.883) 10.901 8.064 ( -0.649 -0.375 -9.475) 9.505 8.232 ( 3.055 1.764 3.131) 4.717 8.583 ( -6.240 -3.603 10.142) 12.441 8.670 ( 4.247 2.452 8.846) 10.114 8.929 ( -3.881 -2.241 2.722) 5.243 9.109 ( 3.198 1.846 -6.412) 7.399 9.211 ( -1.333 -0.769 -22.359) 22.412 9.573 ( 0.060 0.034 -0.673) 0.676 9.623 ( 8.067 4.657 -11.887) 15.102 9.761 ( 4.195 2.422 -5.678) 7.463 10.327 ( -8.111 -4.683 8.678) 12.768 10.402 ( -1.862 -1.075 12.894) 13.072 10.572 ( 0.225 0.130 3.382) 3.392 10.764 ( 0.612 0.353 -1.691) 1.833 10.870 ( -5.929 -3.423 5.586) 8.836 11.021 ( -1.656 -0.956 -4.164) 4.582 11.057 ( 3.522 2.034 5.104) 6.526 11.375 ( -1.089 -0.629 -1.372) 1.861 11.610 ( 1.738 1.003 11.203) 11.381 11.771 ( 5.754 3.322 -3.687) 7.599 12.333 ( -6.747 -3.896 -0.703) 7.823 12.627 ( -2.982 -1.722 -19.103) 19.411 12.978 ( 6.604 3.813 5.154) 9.204 16.613 ( -0.241 -0.139 -6.863) 6.868 16.677 ( 0.387 0.223 -4.408) 4.430 16.803 ( -5.582 -3.223 -4.956) 8.131 17.395 ( -4.668 -2.695 18.356) 19.131 17.585 ( 4.894 2.825 14.096) 15.186 17.816 ( -11.489 -6.633 5.641) 14.416 18.250 ( -3.210 -1.853 -6.960) 7.885 18.421 ( 2.439 1.408 3.421) 4.431 18.793 ( 0.252 0.145 -6.075) 6.082 18.965 ( 1.580 0.912 2.043) 2.739 19.042 ( -3.085 -1.781 -8.040) 8.793 19.203 ( 6.053 3.494 3.659) 7.889 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -22.442 -12.957 -11.163) 28.216 1.813 ( -26.113 -15.077 -4.337) 30.463 2.592 ( 13.311 7.685 8.690) 17.657 2.807 ( -1.991 -1.149 12.130) 12.346 2.991 ( -21.190 -12.234 2.710) 24.618 3.333 ( 3.103 1.792 4.160) 5.490 3.514 ( 0.474 0.273 -5.465) 5.492 3.712 ( 3.044 1.757 -9.075) 9.732 3.807 ( 0.135 0.078 -7.761) 7.762 3.864 ( 1.739 1.004 1.034) 2.259 3.929 ( 3.284 1.896 -4.317) 5.746 4.090 ( -11.006 -6.354 -1.289) 12.774 4.137 ( 7.091 4.094 0.262) 8.193 4.253 ( -0.670 -0.387 -4.474) 4.541 4.416 ( 0.418 0.241 6.109) 6.128 4.451 ( -7.221 -4.169 4.824) 9.633 4.896 ( 10.842 6.259 19.813) 23.437 4.946 ( -0.063 -0.036 3.726) 3.727 4.965 ( 4.523 2.611 0.969) 5.312 5.208 ( -1.795 -1.037 -5.581) 5.954 5.367 ( 0.988 0.571 1.427) 1.827 5.474 ( -0.175 -0.101 -10.787) 10.789 5.732 ( 2.068 1.194 -0.112) 2.391 5.740 ( 12.312 7.108 -2.892) 14.508 6.064 ( 7.814 4.511 -3.477) 9.669 6.164 ( -1.184 -0.684 -1.103) 1.757 6.221 ( 4.409 2.545 2.046) 5.486 6.248 ( 3.423 1.976 1.294) 4.159 6.651 ( -0.278 -0.160 5.268) 5.277 6.790 ( -2.704 -1.561 8.524) 9.078 7.810 ( 1.040 0.601 -5.732) 5.857 7.942 ( -1.290 -0.745 -8.378) 8.510 8.330 ( 4.608 2.661 2.688) 5.962 8.498 ( -11.213 -6.474 3.809) 13.497 8.810 ( 3.784 2.185 -1.742) 4.704 8.863 ( 0.275 0.159 -7.485) 7.492 9.025 ( -1.590 -0.918 -0.271) 1.856 9.227 ( 5.438 3.139 10.382) 12.133 9.486 ( 2.563 1.480 -15.209) 15.494 9.699 ( 3.648 2.106 2.802) 5.059 9.741 ( 1.006 0.581 -5.339) 5.464 10.268 ( -8.922 -5.151 7.301) 12.627 10.478 ( -1.065 -0.615 5.520) 5.655 10.606 ( 4.935 2.849 -5.794) 8.126 10.775 ( 2.557 1.476 -0.852) 3.073 10.833 ( -7.394 -4.269 8.966) 12.381 10.954 ( 0.630 0.364 -5.434) 5.483 11.166 ( 2.264 1.307 4.748) 5.420 11.332 ( -1.598 -0.923 -2.038) 2.749 11.759 ( 0.450 0.260 10.268) 10.281 11.807 ( 1.859 1.073 -1.863) 2.842 12.205 ( -6.983 -4.032 -1.114) 8.140 12.376 ( -1.723 -0.995 -16.481) 16.601 13.150 ( 7.018 4.052 3.522) 8.836 16.535 ( -1.279 -0.739 -4.572) 4.805 16.611 ( -2.450 -1.415 -3.731) 4.682 16.650 ( -6.950 -4.012 -1.980) 8.265 17.493 ( -5.066 -2.925 12.838) 14.108 17.688 ( -9.829 -5.675 4.766) 12.309 17.807 ( 4.688 2.706 9.885) 11.270 18.127 ( -1.082 -0.625 -7.494) 7.597 18.491 ( 1.338 0.773 3.150) 3.508 18.726 ( -0.422 -0.244 -6.110) 6.129 18.894 ( -4.059 -2.344 -5.844) 7.492 19.002 ( 0.623 0.360 1.189) 1.389 19.336 ( 5.598 3.232 1.544) 6.645 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -21.917 -12.654 4.596) 25.721 1.330 ( -26.323 -15.198 0.785) 30.405 2.227 ( -39.266 -22.670 -2.305) 45.399 2.885 ( 13.371 7.720 2.604) 15.658 3.231 ( 7.067 4.080 14.142) 16.328 3.458 ( 3.959 2.285 6.524) 7.966 3.475 ( 2.269 1.310 -3.622) 4.471 3.674 ( -0.029 -0.016 -3.657) 3.657 3.755 ( 3.318 1.915 -6.300) 7.373 3.788 ( -5.314 -3.068 -1.771) 6.387 3.931 ( -6.516 -3.762 2.046) 7.797 3.991 ( 6.300 3.637 -8.080) 10.872 4.157 ( -5.192 -2.997 -2.269) 6.410 4.212 ( 0.619 0.357 1.891) 2.021 4.452 ( 2.069 1.195 4.435) 5.037 4.481 ( -0.856 -0.494 3.938) 4.060 4.958 ( -1.182 -0.683 -2.201) 2.590 5.047 ( 4.076 2.353 -0.065) 4.707 5.152 ( 1.049 0.605 -0.552) 1.331 5.249 ( 4.420 2.552 15.295) 16.124 5.339 ( -1.392 -0.803 -9.614) 9.748 5.359 ( 2.273 1.312 -4.986) 5.635 5.702 ( -3.040 -1.755 -3.152) 4.718 5.964 ( 12.912 7.455 1.384) 14.973 6.140 ( -0.067 -0.038 -1.802) 1.804 6.155 ( 7.890 4.556 -3.807) 9.874 6.315 ( 6.035 3.484 -3.333) 7.724 6.334 ( 2.023 1.168 4.912) 5.439 6.694 ( 1.188 0.686 -0.162) 1.382 6.813 ( -1.928 -1.113 1.899) 2.926 7.815 ( 2.523 1.456 0.867) 3.039 7.847 ( -1.375 -0.794 -3.724) 4.048 8.319 ( -11.110 -6.414 0.273) 12.832 8.457 ( 6.552 3.783 2.516) 7.973 8.791 ( 2.864 1.653 -10.325) 10.842 8.797 ( 1.589 0.918 -0.752) 1.983 9.128 ( -0.912 -0.527 13.917) 13.956 9.333 ( -0.385 -0.222 -14.481) 14.488 9.463 ( 2.701 1.559 16.736) 17.024 9.695 ( 0.407 0.235 -3.684) 3.714 9.782 ( 2.379 1.374 2.115) 3.467 10.193 ( -7.313 -4.222 5.010) 9.819 10.500 ( -0.754 -0.435 1.075) 1.383 10.571 ( 2.771 1.600 -14.318) 14.671 10.831 ( 3.126 1.805 1.117) 3.779 10.834 ( -2.392 -1.381 7.277) 7.783 10.939 ( 5.515 3.184 -5.782) 8.601 11.240 ( 0.205 0.118 4.516) 4.522 11.276 ( -2.146 -1.239 -1.997) 3.182 11.740 ( -1.076 -0.621 -12.418) 12.480 11.863 ( 0.065 0.038 8.854) 8.855 12.057 ( -8.165 -4.714 -2.011) 9.640 12.260 ( -1.404 -0.810 2.729) 3.174 13.288 ( 6.036 3.485 0.491) 6.987 16.457 ( -3.946 -2.278 -0.827) 4.631 16.521 ( -4.588 -2.649 -0.598) 5.331 16.553 ( -5.202 -3.003 5.228) 7.964 17.482 ( -4.135 -2.388 -0.306) 4.785 17.586 ( -7.606 -4.391 3.203) 9.348 17.956 ( 3.832 2.213 2.835) 5.256 18.064 ( 0.319 0.184 -2.007) 2.041 18.536 ( 0.027 0.016 2.741) 2.741 18.630 ( -2.332 -1.346 -6.301) 6.852 18.803 ( -1.909 -1.102 -0.738) 2.325 19.015 ( -0.003 -0.002 0.340) 0.340 19.431 ( 4.424 2.554 -0.249) 5.114 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -19.554 -11.289 18.686) 29.308 0.952 ( -23.638 -13.648 11.761) 29.721 1.618 ( -37.532 -21.669 21.174) 48.234 3.131 ( 13.516 7.804 0.087) 15.608 3.387 ( 5.342 3.084 -3.273) 6.983 3.531 ( 1.942 1.121 0.285) 2.261 3.585 ( 1.826 1.054 4.889) 5.324 3.667 ( 2.869 1.657 2.127) 3.937 3.687 ( -3.571 -2.062 -0.940) 4.229 3.746 ( -0.795 -0.459 1.715) 1.945 3.930 ( -0.042 -0.024 -10.005) 10.005 3.977 ( 3.742 2.161 11.623) 12.400 4.030 ( -7.699 -4.445 -0.051) 8.891 4.256 ( 0.584 0.337 4.125) 4.180 4.463 ( -3.857 -2.227 0.882) 4.540 4.581 ( 7.646 4.414 1.489) 8.953 4.845 ( -3.635 -2.099 -9.635) 10.510 5.100 ( 3.245 1.874 -2.082) 4.287 5.154 ( -0.329 -0.190 -8.854) 8.862 5.229 ( -0.902 -0.521 -6.268) 6.354 5.259 ( -1.395 -0.805 1.378) 2.120 5.501 ( 2.112 1.219 5.465) 5.984 5.610 ( -1.167 -0.674 -0.754) 1.544 6.113 ( 0.482 0.278 -3.616) 3.659 6.125 ( 4.366 2.521 -7.458) 9.003 6.265 ( 5.110 2.950 -9.440) 11.132 6.312 ( 6.614 3.819 -5.336) 9.317 6.396 ( -1.339 -0.773 3.625) 3.941 6.671 ( 1.833 1.059 -7.903) 8.181 6.768 ( -1.295 -0.748 -4.152) 4.413 7.820 ( -0.733 -0.423 2.459) 2.600 7.888 ( 1.068 0.616 4.597) 4.759 8.144 ( -8.226 -4.749 -0.460) 9.510 8.604 ( 7.542 4.354 1.227) 8.795 8.728 ( 4.230 2.442 -11.772) 12.745 8.917 ( 2.339 1.350 16.027) 16.253 9.094 ( -4.901 -2.829 -10.553) 11.975 9.302 ( -1.038 -0.599 10.856) 10.922 9.582 ( -7.107 -4.103 7.552) 11.152 9.765 ( 6.262 3.615 7.787) 10.627 9.832 ( 0.900 0.520 2.102) 2.345 10.129 ( -4.639 -2.678 1.873) 5.674 10.289 ( -7.393 -4.268 -22.233) 23.816 10.553 ( 3.924 2.266 -2.848) 5.352 10.886 ( 3.200 1.847 -1.920) 4.164 10.891 ( 4.467 2.579 -2.246) 5.626 11.023 ( 7.521 4.342 -0.866) 8.727 11.220 ( -1.505 -0.869 -1.203) 2.113 11.267 ( -2.319 -1.339 3.320) 4.266 11.529 ( -4.912 -2.836 -11.111) 12.475 11.871 ( -9.552 -5.515 -3.681) 11.627 12.038 ( 6.354 3.669 11.885) 13.967 12.396 ( 2.429 1.402 23.014) 23.185 13.363 ( 4.256 2.457 -3.276) 5.906 16.435 ( -2.800 -1.616 8.689) 9.271 16.460 ( -4.188 -2.418 4.204) 6.408 16.621 ( 0.954 0.551 18.669) 18.702 17.380 ( -2.883 -1.665 -5.815) 6.701 17.471 ( -4.186 -2.417 -5.367) 7.223 17.999 ( 2.510 1.449 -4.264) 5.156 18.084 ( 0.281 0.162 3.701) 3.715 18.534 ( -1.529 -0.883 -3.402) 3.833 18.557 ( -1.037 -0.598 2.831) 3.074 18.796 ( -0.691 -0.399 2.745) 2.858 19.010 ( -0.333 -0.192 -0.765) 0.856 19.469 ( 1.550 0.895 -4.020) 4.400 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.000 3.892 26.014) 26.303 1.766 ( -0.000 4.154 28.745) 29.044 3.033 ( -0.000 -3.046 16.099) 16.385 3.173 ( 0.000 -10.353 -20.704) 23.149 3.233 ( 0.000 1.114 0.059) 1.116 3.306 ( -0.000 -15.305 -0.659) 15.320 3.454 ( -0.000 0.818 14.059) 14.083 3.544 ( 0.000 10.721 -12.442) 16.424 3.702 ( 0.000 5.919 1.616) 6.136 3.828 ( 0.000 1.287 -0.664) 1.448 3.905 ( 0.000 9.205 -1.098) 9.270 4.115 ( 0.000 -0.637 -2.738) 2.811 4.263 ( -0.000 -5.377 9.598) 11.002 4.324 ( -0.000 -7.431 3.301) 8.131 4.389 ( 0.000 -4.132 -2.262) 4.711 4.430 ( 0.000 2.638 -5.565) 6.159 4.613 ( 0.000 7.024 -3.923) 8.046 4.777 ( 0.000 8.731 2.464) 9.072 5.071 ( 0.000 -5.380 -2.578) 5.966 5.146 ( 0.000 0.846 -4.366) 4.447 5.270 ( -0.000 -6.478 17.357) 18.527 5.501 ( 0.000 -0.633 -3.439) 3.496 5.554 ( 0.000 5.080 -2.961) 5.881 5.590 ( 0.000 4.971 -7.342) 8.867 5.819 ( 0.000 -3.118 -14.876) 15.199 5.990 ( 0.000 5.626 -7.579) 9.439 6.126 ( -0.000 2.580 1.281) 2.880 6.354 ( 0.000 -2.789 -5.398) 6.076 6.619 ( -0.000 -7.712 4.669) 9.015 6.779 ( -0.000 3.953 6.794) 7.860 8.049 ( 0.000 -3.102 -8.555) 9.100 8.114 ( 0.000 2.274 -1.831) 2.920 8.177 ( -0.000 0.517 6.183) 6.205 8.434 ( -0.000 -2.770 0.421) 2.802 8.517 ( -0.000 3.316 9.691) 10.243 9.054 ( -0.000 -4.312 6.178) 7.534 9.299 ( 0.000 -1.770 -17.147) 17.238 9.430 ( 0.000 4.229 -16.075) 16.622 9.577 ( -0.000 4.582 2.887) 5.415 9.585 ( 0.000 2.456 -8.121) 8.484 9.622 ( 0.000 2.344 -19.030) 19.174 10.287 ( -0.000 -4.207 23.136) 23.516 10.467 ( -0.000 -1.686 11.023) 11.151 10.511 ( -0.000 0.439 10.725) 10.734 10.801 ( -0.000 -7.047 -0.144) 7.048 10.813 ( -0.000 -4.653 -0.503) 4.680 11.085 ( 0.000 1.364 -1.164) 1.793 11.122 ( 0.000 4.511 -3.391) 5.644 11.353 ( -0.000 -3.860 5.050) 6.356 11.468 ( 0.000 4.234 -0.968) 4.343 11.567 ( -0.000 5.185 4.295) 6.733 12.516 ( -0.000 -2.697 2.165) 3.458 12.802 ( 0.000 0.027 -2.062) 2.062 12.928 ( 0.000 -1.453 -18.101) 18.160 16.671 ( 0.000 0.200 -2.190) 2.199 16.690 ( 0.000 1.469 -3.980) 4.242 16.987 ( 0.000 2.000 -6.680) 6.973 17.293 ( -0.000 -1.371 16.073) 16.132 17.319 ( -0.000 -0.322 14.433) 14.437 18.191 ( 0.000 -2.010 -1.597) 2.567 18.235 ( -0.000 -2.923 4.197) 5.114 18.588 ( -0.000 -5.902 1.851) 6.185 18.716 ( -0.000 -0.884 2.852) 2.986 18.848 ( 0.000 0.750 -6.262) 6.307 19.010 ( -0.000 0.661 4.566) 4.614 19.147 ( 0.000 6.027 -4.980) 7.818 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.143 3.888 21.444) 21.899 2.160 ( 6.435 3.784 26.523) 27.554 2.653 ( -20.653 -11.154 -16.144) 28.488 2.935 ( -20.663 -11.385 -2.667) 23.742 3.166 ( 7.745 -5.982 -0.730) 9.813 3.402 ( 11.797 -0.458 -0.099) 11.806 3.506 ( 2.125 7.682 -7.630) 11.034 3.706 ( 0.911 0.413 -2.287) 2.496 3.773 ( 3.655 3.248 5.683) 7.497 3.900 ( 7.902 2.444 3.682) 9.054 3.999 ( -0.245 -1.779 -5.483) 5.770 4.033 ( -1.019 4.761 3.196) 5.824 4.141 ( -13.526 -6.239 4.771) 15.641 4.297 ( -3.341 2.749 7.947) 9.049 4.423 ( 3.706 -4.586 0.799) 5.951 4.463 ( 1.334 2.612 1.617) 3.350 4.628 ( -2.755 6.541 2.852) 7.649 4.926 ( -1.669 -2.325 -1.489) 3.227 4.967 ( 2.531 2.914 1.868) 4.288 5.081 ( 1.343 1.577 -9.791) 10.008 5.380 ( -1.600 -4.421 11.596) 12.513 5.481 ( 0.910 -0.055 -4.270) 4.366 5.525 ( 2.622 3.274 -8.188) 9.200 5.558 ( 2.105 2.536 -5.168) 6.130 5.727 ( 7.589 -0.829 -6.367) 9.941 6.018 ( 3.698 6.861 -0.986) 7.856 6.149 ( -0.540 2.728 -0.034) 2.781 6.262 ( -0.631 -2.694 -5.713) 6.348 6.614 ( 0.452 -7.435 4.411) 8.657 6.868 ( -3.382 4.050 7.279) 8.990 7.904 ( 0.251 -3.779 -11.243) 11.863 8.066 ( 0.282 2.189 -9.558) 9.810 8.230 ( -2.222 -0.051 6.269) 6.651 8.509 ( 5.627 -3.428 8.873) 11.052 8.683 ( -1.305 3.417 14.492) 14.947 9.038 ( -3.954 -5.141 -2.844) 7.082 9.093 ( -0.059 -0.931 -9.616) 9.661 9.252 ( -1.315 2.092 -19.623) 19.778 9.413 ( 5.313 4.619 -18.332) 19.637 9.597 ( -0.465 2.358 0.643) 2.488 9.683 ( 1.613 8.010 2.026) 8.419 10.424 ( -0.655 -6.269 10.973) 12.654 10.516 ( -5.119 -2.335 6.696) 8.746 10.583 ( -0.640 -0.026 1.336) 1.482 10.745 ( 0.037 -5.716 -0.070) 5.716 10.833 ( 7.550 -8.672 3.034) 11.892 11.056 ( -6.591 3.207 2.064) 7.615 11.133 ( -1.705 6.146 -0.780) 6.426 11.386 ( 0.702 -4.836 2.098) 5.318 11.556 ( 1.750 4.345 11.273) 12.207 11.660 ( 2.248 4.608 2.027) 5.513 12.453 ( -2.271 -4.354 -4.257) 6.499 12.689 ( -1.358 -1.514 -20.429) 20.530 12.846 ( 2.863 3.422 3.466) 5.650 16.635 ( -0.990 0.218 -3.557) 3.698 16.660 ( 0.684 0.682 -2.718) 2.884 16.923 ( -2.791 1.069 -4.074) 5.053 17.484 ( -0.558 -1.340 17.688) 17.747 17.495 ( 0.726 -0.479 16.950) 16.973 18.083 ( -7.407 -3.005 -1.497) 8.133 18.300 ( 2.983 -3.118 2.524) 4.999 18.462 ( -9.298 -1.333 -0.215) 9.396 18.774 ( 2.583 0.935 -7.920) 8.383 18.833 ( 7.000 -1.813 2.212) 7.562 19.070 ( 1.413 0.888 2.427) 2.945 19.120 ( -0.774 3.981 -4.878) 6.344 ======================= Grid point 87 (31/65) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -20.975 -11.467 -9.599) 25.760 2.350 ( 3.221 4.228 14.661) 15.595 2.506 ( -25.318 -11.781 -1.298) 27.955 2.591 ( 8.409 1.635 24.149) 25.623 3.239 ( 6.685 -2.156 1.954) 7.290 3.494 ( 1.834 5.991 -3.008) 6.950 3.566 ( 8.653 -0.623 -4.871) 9.949 3.650 ( 3.055 -0.191 -6.278) 6.985 3.684 ( -13.946 -8.054 -7.725) 17.861 3.884 ( 5.285 1.562 1.212) 5.643 3.907 ( -11.263 -4.263 0.337) 12.048 4.119 ( -6.096 1.471 1.862) 6.541 4.141 ( 9.332 4.707 2.822) 10.826 4.360 ( -1.050 -1.086 -1.799) 2.349 4.390 ( -8.718 -8.443 -1.632) 12.245 4.628 ( 8.326 12.071 18.087) 23.285 4.672 ( -5.702 1.593 6.665) 8.915 4.821 ( 1.786 -4.478 -4.994) 6.941 4.994 ( -0.853 3.878 -0.508) 4.003 5.113 ( 6.647 4.604 -5.826) 9.966 5.416 ( 3.557 0.367 -9.121) 9.796 5.447 ( -3.308 -3.586 5.480) 7.337 5.489 ( 5.253 3.355 -4.076) 7.447 5.637 ( 5.011 5.418 1.621) 7.556 5.788 ( 10.317 -1.338 -4.259) 11.241 6.123 ( 2.998 -0.584 2.430) 3.903 6.169 ( 2.430 8.599 -2.694) 9.333 6.187 ( 0.430 -0.825 -3.562) 3.682 6.620 ( 1.945 -5.765 2.407) 6.543 6.913 ( -5.165 3.329 5.725) 8.398 7.777 ( 1.374 -2.375 -8.080) 8.533 7.965 ( -0.585 0.613 -8.903) 8.943 8.278 ( -0.699 0.320 5.765) 5.816 8.660 ( 4.936 -3.137 6.424) 8.687 8.781 ( -6.930 -2.414 7.862) 10.754 8.867 ( -0.797 -0.953 -11.947) 12.011 9.062 ( -0.149 0.547 -6.771) 6.794 9.105 ( 2.321 1.597 3.579) 4.555 9.348 ( 5.983 6.036 -14.484) 16.794 9.624 ( 1.646 -0.459 1.201) 2.088 9.785 ( -2.226 9.972 4.507) 11.168 10.431 ( -2.564 -9.077 3.617) 10.102 10.500 ( -0.663 -1.357 2.506) 2.926 10.568 ( -1.761 0.776 -1.415) 2.389 10.700 ( 2.137 -2.748 -3.932) 5.251 10.881 ( 5.282 -9.393 0.572) 10.792 11.020 ( -6.688 1.920 3.236) 7.674 11.159 ( -2.215 5.102 3.181) 6.407 11.362 ( -0.077 -2.244 -1.383) 2.637 11.708 ( 0.895 4.094 1.250) 4.373 11.795 ( 1.300 1.406 16.333) 16.444 12.335 ( -3.002 -3.152 -4.883) 6.542 12.426 ( -1.689 -0.940 -19.675) 19.770 12.973 ( 5.676 3.704 3.521) 7.638 16.587 ( -2.205 -0.269 -0.910) 2.401 16.644 ( -0.297 -0.794 -0.939) 1.265 16.836 ( -6.308 -0.646 -0.896) 6.404 17.632 ( -4.223 -3.671 16.625) 17.541 17.690 ( 3.870 0.488 11.048) 11.716 17.940 ( -7.932 -2.366 -1.761) 8.462 18.213 ( -6.217 -4.974 -4.730) 9.261 18.457 ( 0.723 4.051 3.732) 5.555 18.715 ( 1.230 0.764 -7.115) 7.261 18.910 ( 4.021 -3.126 -0.106) 5.094 19.029 ( -2.939 1.928 -4.126) 5.420 19.177 ( 5.411 2.282 1.322) 6.019 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -23.750 -10.876 3.500) 26.355 2.045 ( -27.585 -11.754 0.274) 29.986 2.603 ( 7.623 4.152 8.320) 12.024 2.943 ( 6.037 -3.877 16.477) 17.971 3.247 ( -25.938 -7.820 -2.529) 27.208 3.352 ( 4.297 0.775 4.731) 6.438 3.479 ( -0.947 1.720 -3.576) 4.079 3.601 ( 5.020 0.120 -1.358) 5.202 3.683 ( -0.108 -5.736 -1.817) 6.018 3.804 ( 4.711 6.711 -5.315) 9.772 3.956 ( -0.434 -1.545 1.028) 1.906 4.073 ( 0.413 3.589 -2.236) 4.249 4.158 ( -9.668 -5.851 -2.940) 11.677 4.283 ( -2.233 8.735 -1.136) 9.087 4.348 ( 6.459 -8.471 3.091) 11.092 4.613 ( -7.445 1.418 1.108) 7.659 4.796 ( 6.296 -8.654 -1.888) 10.867 5.009 ( 5.361 6.873 9.502) 12.894 5.073 ( 4.697 9.791 3.186) 11.317 5.125 ( 1.364 1.629 -0.415) 2.165 5.313 ( 2.817 -2.807 -11.995) 12.637 5.431 ( -3.980 1.326 -0.994) 4.312 5.625 ( 11.305 5.684 1.678) 12.764 5.738 ( 0.365 5.397 -0.617) 5.444 5.872 ( 12.242 -3.624 -2.697) 13.049 6.121 ( 1.985 0.042 -3.978) 4.446 6.182 ( 4.220 -0.150 -2.433) 4.873 6.289 ( 2.088 8.415 2.756) 9.098 6.623 ( 3.333 -4.235 -1.757) 5.668 6.910 ( -4.817 2.100 1.356) 5.427 7.738 ( 3.154 -0.437 -1.843) 3.679 7.880 ( -1.146 0.577 -4.270) 4.459 8.345 ( 1.623 0.619 4.430) 4.758 8.633 ( -11.093 -5.220 0.174) 12.261 8.706 ( 2.866 -1.508 -7.608) 8.268 8.771 ( -0.097 1.566 -2.985) 3.372 9.107 ( 3.102 0.076 8.558) 9.103 9.226 ( 7.021 -1.220 -2.255) 7.474 9.366 ( 3.060 7.731 2.881) 8.799 9.655 ( 0.797 -3.666 4.403) 5.785 9.871 ( -5.136 9.961 5.692) 12.570 10.339 ( -2.467 -9.803 -1.112) 10.170 10.494 ( -0.056 1.674 -5.085) 5.354 10.524 ( -0.494 0.095 -2.342) 2.396 10.709 ( 6.059 0.928 -2.294) 6.545 10.848 ( 1.370 -6.524 -1.934) 6.941 10.970 ( -5.969 0.373 0.642) 6.015 11.215 ( 0.222 -0.961 4.799) 4.899 11.333 ( -1.330 1.037 -0.527) 1.767 11.733 ( 0.398 4.213 -3.830) 5.708 11.921 ( -2.960 -1.809 3.002) 4.587 12.222 ( -4.102 -1.704 -4.160) 6.086 12.271 ( 0.397 0.359 0.118) 0.548 13.111 ( 6.900 2.938 1.246) 7.603 16.556 ( -3.524 -0.987 2.885) 4.660 16.616 ( -2.477 -2.478 1.729) 3.907 16.740 ( -8.127 -1.946 3.182) 8.942 17.637 ( -6.973 -4.084 1.256) 8.178 17.817 ( -6.697 -3.643 2.263) 7.953 17.838 ( 2.630 -0.288 3.939) 4.745 18.071 ( -1.881 -0.030 -3.934) 4.361 18.542 ( -0.242 3.668 4.783) 6.033 18.654 ( 0.380 -0.078 -6.557) 6.568 18.869 ( -2.393 -2.643 -1.874) 4.028 19.010 ( 0.362 1.163 -0.038) 1.219 19.281 ( 6.610 1.940 -0.103) 6.890 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -23.045 -9.744 16.907) 30.197 1.632 ( -27.338 -9.573 5.508) 29.485 2.656 ( -36.703 -9.102 5.936) 38.277 2.809 ( 9.504 2.606 2.754) 10.232 3.189 ( 8.200 -10.745 1.037) 13.556 3.474 ( 2.317 3.563 5.518) 6.965 3.527 ( 5.749 -1.252 1.140) 5.993 3.563 ( -0.729 -1.468 2.200) 2.744 3.718 ( 2.971 1.156 4.868) 5.819 3.836 ( -1.422 4.712 -7.318) 8.819 3.909 ( -3.750 6.910 -3.057) 8.435 4.005 ( -4.855 -2.034 1.026) 5.363 4.152 ( 6.697 0.264 1.230) 6.814 4.240 ( -4.481 1.801 -1.844) 5.170 4.384 ( 1.996 -7.181 2.191) 7.769 4.603 ( -1.370 5.999 0.724) 6.196 4.768 ( 6.136 -11.808 -4.019) 13.901 5.042 ( -0.393 4.059 -7.511) 8.547 5.136 ( 1.822 1.949 -0.279) 2.683 5.189 ( 2.746 -4.662 -10.343) 11.673 5.364 ( -2.252 9.109 -4.740) 10.513 5.391 ( 4.850 4.679 13.861) 15.412 5.687 ( -4.025 -0.648 -4.100) 5.782 5.883 ( 13.306 6.968 4.145) 15.582 5.996 ( 11.841 -1.667 -0.418) 11.965 6.094 ( 1.089 1.875 -5.971) 6.352 6.193 ( 3.872 1.536 -8.870) 9.799 6.401 ( 1.123 3.623 5.133) 6.383 6.591 ( 3.670 -3.114 -7.426) 8.849 6.842 ( -4.030 0.562 -4.966) 6.420 7.802 ( 3.770 0.076 3.566) 5.190 7.863 ( -1.091 2.218 3.181) 4.029 8.415 ( -7.332 -2.785 -2.679) 8.287 8.434 ( 0.261 -0.363 1.465) 1.531 8.640 ( 2.562 1.865 -9.852) 10.349 8.838 ( 3.612 1.937 6.979) 8.094 9.151 ( 0.475 -2.327 -4.188) 4.814 9.316 ( 1.174 -1.455 13.002) 13.136 9.550 ( 7.339 0.708 5.575) 9.244 9.711 ( -2.470 -2.806 14.442) 14.918 9.920 ( -6.268 8.512 3.369) 11.095 10.196 ( -1.976 -11.007 -4.472) 12.044 10.429 ( -0.623 6.554 -13.050) 14.617 10.483 ( 0.581 -0.114 -4.824) 4.860 10.796 ( 6.761 0.503 -6.190) 9.180 10.815 ( 2.195 -1.061 4.735) 5.325 10.888 ( -2.862 0.232 -4.131) 5.031 11.223 ( 1.029 -4.865 -0.797) 5.036 11.343 ( -3.045 2.077 4.312) 5.673 11.650 ( -3.933 2.985 -10.679) 11.765 11.909 ( 2.907 0.072 4.051) 4.987 12.092 ( -6.516 -0.954 -4.931) 8.227 12.395 ( -0.439 -0.497 16.111) 16.125 13.214 ( 6.702 1.803 -2.205) 7.282 16.548 ( -4.900 -1.481 7.715) 9.259 16.590 ( -4.541 -2.342 5.190) 7.283 16.691 ( -5.825 -3.222 9.425) 11.539 17.480 ( -4.906 -1.616 -8.871) 10.265 17.646 ( -9.186 -5.388 -4.848) 11.701 17.893 ( 5.218 -0.720 -4.720) 7.073 18.086 ( -0.292 1.513 4.973) 5.206 18.571 ( -0.788 -1.257 -5.821) 6.007 18.609 ( -2.406 3.881 4.772) 6.605 18.828 ( -1.762 -0.854 2.129) 2.893 19.018 ( -0.154 0.233 -0.163) 0.323 19.368 ( 5.749 1.426 -1.510) 6.113 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -21.811 -6.575 20.686) 30.771 1.342 ( -23.658 -5.964 14.189) 28.224 2.298 ( -34.152 -5.048 27.318) 44.024 2.978 ( 14.209 -0.234 -2.538) 14.436 3.186 ( 10.845 -10.892 -6.581) 16.720 3.457 ( 1.725 -3.918 -1.700) 4.606 3.636 ( 1.767 1.219 5.052) 5.489 3.686 ( 2.250 1.379 2.045) 3.339 3.742 ( -5.524 3.869 -1.994) 7.033 3.799 ( 1.018 1.749 5.913) 6.250 3.859 ( -3.240 8.968 -8.136) 12.534 4.065 ( 3.480 0.126 10.690) 11.243 4.143 ( -8.133 1.052 1.831) 8.403 4.281 ( 5.285 1.816 1.347) 5.748 4.388 ( 4.500 -8.332 2.711) 9.850 4.626 ( -1.329 7.881 -3.569) 8.753 4.687 ( 2.496 -11.235 -4.766) 12.456 4.909 ( 0.469 -2.023 -17.639) 17.761 5.069 ( 3.649 -1.169 -8.558) 9.377 5.166 ( -0.141 -0.176 -2.825) 2.834 5.373 ( -3.903 8.276 2.754) 9.556 5.556 ( -5.060 2.868 -2.983) 6.537 5.641 ( 3.425 0.072 9.796) 10.378 6.018 ( -2.067 1.003 -13.003) 13.204 6.065 ( -1.420 3.810 -9.115) 9.980 6.115 ( 7.706 0.929 -2.150) 8.054 6.172 ( 13.486 1.247 2.148) 13.713 6.462 ( -2.181 -0.936 3.212) 3.994 6.516 ( 4.082 -0.436 -10.742) 11.499 6.719 ( -2.012 -1.383 -7.196) 7.598 7.879 ( 0.172 0.356 6.679) 6.691 7.964 ( 0.380 2.067 9.253) 9.489 8.222 ( -9.238 -1.744 -2.408) 9.705 8.498 ( 6.451 -1.912 -5.070) 8.425 8.616 ( 3.599 7.204 -5.324) 9.654 8.922 ( 3.867 -0.053 -8.813) 9.624 9.191 ( -2.092 -1.357 23.221) 23.355 9.433 ( -0.453 -5.611 11.206) 12.540 9.631 ( 0.204 -4.431 3.662) 5.752 9.878 ( 0.279 1.305 8.340) 8.446 9.901 ( -5.108 1.886 2.066) 5.824 10.060 ( -0.794 -6.290 0.327) 6.348 10.254 ( -7.983 5.108 -12.348) 15.566 10.420 ( 2.970 1.005 -14.506) 14.841 10.790 ( 3.901 1.840 -6.598) 7.883 10.812 ( 2.568 1.463 -4.078) 5.036 10.975 ( 7.715 3.735 3.269) 9.174 11.172 ( 0.692 -5.247 -2.794) 5.984 11.350 ( -4.284 0.968 2.636) 5.122 11.526 ( -4.677 0.666 -2.572) 5.379 11.922 ( -9.547 0.091 -6.019) 11.287 12.090 ( 8.556 1.618 11.330) 14.290 12.575 ( 1.801 -0.687 15.376) 15.497 13.256 ( 5.494 0.650 -6.304) 8.387 16.573 ( -5.238 -2.073 8.876) 10.513 16.601 ( -4.491 -0.012 11.071) 11.947 16.787 ( 2.603 -2.666 16.102) 16.527 17.314 ( -1.506 -0.889 -10.946) 11.085 17.423 ( -6.869 -3.981 -8.997) 11.999 17.876 ( 5.601 -2.537 -6.364) 8.849 18.154 ( -1.031 1.985 5.711) 6.134 18.499 ( -0.088 -1.041 -3.564) 3.714 18.655 ( -3.743 4.899 4.889) 7.868 18.849 ( -1.039 0.097 4.781) 4.893 19.002 ( -0.815 -0.282 -1.457) 1.693 19.403 ( 2.573 0.246 -4.108) 4.853 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.000 -2.847 12.292) 12.618 2.431 ( -0.000 2.631 24.434) 24.575 2.600 ( 0.000 -9.289 -5.208) 10.649 2.983 ( -0.000 -4.053 0.182) 4.057 3.098 ( -0.000 -13.448 1.153) 13.498 3.211 ( 0.000 -0.676 -1.251) 1.422 3.487 ( 0.000 7.567 -5.138) 9.147 3.625 ( 0.000 -4.975 -7.580) 9.067 3.791 ( 0.000 -3.845 -8.591) 9.413 3.901 ( 0.000 3.415 -3.828) 5.130 3.908 ( -0.000 2.394 7.382) 7.761 4.127 ( -0.000 1.397 1.023) 1.731 4.347 ( -0.000 1.011 7.688) 7.754 4.354 ( -0.000 -5.512 2.509) 6.056 4.471 ( 0.000 2.984 -0.299) 2.998 4.499 ( -0.000 11.690 14.851) 18.900 4.697 ( -0.000 0.144 1.800) 1.805 4.904 ( 0.000 -2.357 -3.684) 4.373 4.972 ( 0.000 7.360 -5.287) 9.063 5.021 ( -0.000 1.325 1.752) 2.197 5.359 ( 0.000 0.461 -12.961) 12.969 5.408 ( 0.000 0.750 -3.107) 3.196 5.520 ( -0.000 -5.576 7.351) 9.227 5.542 ( 0.000 6.941 -3.060) 7.586 5.611 ( -0.000 -3.774 -0.716) 3.842 6.071 ( -0.000 6.825 4.254) 8.042 6.150 ( 0.000 3.467 -4.207) 5.451 6.173 ( 0.000 -2.259 -6.525) 6.905 6.586 ( -0.000 -6.734 1.350) 6.868 6.990 ( -0.000 5.010 3.915) 6.358 7.755 ( 0.000 -4.041 -8.627) 9.527 7.972 ( 0.000 1.791 -8.958) 9.135 8.314 ( -0.000 -1.412 6.143) 6.304 8.563 ( -0.000 -2.672 11.345) 11.655 8.853 ( -0.000 -5.799 0.095) 5.800 8.905 ( 0.000 6.917 -2.466) 7.343 9.057 ( 0.000 -1.799 -7.745) 7.952 9.090 ( 0.000 -2.154 -7.108) 7.428 9.261 ( 0.000 7.550 -8.877) 11.654 9.604 ( 0.000 2.314 -0.050) 2.315 9.817 ( -0.000 11.037 6.892) 13.012 10.464 ( -0.000 -6.434 4.803) 8.029 10.515 ( 0.000 -4.786 -7.909) 9.244 10.570 ( 0.000 -0.724 -0.453) 0.854 10.705 ( -0.000 -7.086 -2.088) 7.388 10.778 ( -0.000 -7.308 8.209) 10.991 11.165 ( 0.000 4.781 1.201) 4.929 11.167 ( 0.000 5.013 0.179) 5.016 11.351 ( -0.000 -5.276 -0.421) 5.293 11.704 ( 0.000 4.576 1.066) 4.699 11.765 ( -0.000 2.632 21.180) 21.343 12.372 ( 0.000 -2.921 -6.615) 7.231 12.449 ( 0.000 -1.222 -21.155) 21.191 12.893 ( -0.000 3.654 3.399) 4.990 16.629 ( -0.000 -0.806 0.363) 0.884 16.636 ( 0.000 0.153 -0.168) 0.227 16.929 ( 0.000 1.295 -0.465) 1.376 17.629 ( -0.000 -1.619 11.183) 11.300 17.689 ( -0.000 -2.937 17.612) 17.855 18.051 ( 0.000 -1.643 -8.184) 8.347 18.319 ( -0.000 -0.997 4.802) 4.905 18.521 ( -0.000 -4.862 -0.068) 4.863 18.642 ( 0.000 4.021 -9.618) 10.424 18.814 ( -0.000 -0.195 3.881) 3.886 19.084 ( 0.000 2.020 -6.138) 6.462 19.096 ( -0.000 0.975 1.745) 1.998 ======================= Grid point 95 (36/65) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -11.549 -10.751 3.529) 16.168 2.518 ( -5.716 -2.880 10.085) 11.944 2.738 ( 5.955 -2.809 18.604) 19.734 2.758 ( -23.942 -7.770 1.117) 25.196 3.100 ( 12.146 -4.070 2.204) 12.998 3.385 ( 14.493 0.258 -0.159) 14.496 3.502 ( 2.140 1.724 -5.184) 5.867 3.508 ( 2.673 -2.224 -3.471) 4.913 3.634 ( -3.536 -3.547 -6.274) 8.028 3.893 ( -2.007 5.018 0.931) 5.484 3.996 ( -1.997 -8.229 1.953) 8.691 4.136 ( 1.728 7.960 1.715) 8.324 4.267 ( -7.859 -2.391 1.239) 8.307 4.365 ( -4.167 -0.524 0.145) 4.202 4.439 ( -7.313 3.325 -5.549) 9.764 4.657 ( 1.670 -5.846 -6.760) 9.092 4.810 ( 2.957 10.195 10.579) 14.987 4.852 ( -4.743 4.348 8.018) 10.280 4.987 ( 2.925 3.930 -0.164) 4.902 5.089 ( 1.356 3.447 0.969) 3.830 5.220 ( 3.193 -3.324 -13.290) 14.066 5.417 ( 3.784 2.055 0.510) 4.336 5.524 ( -2.302 -1.736 -0.102) 2.885 5.600 ( 5.994 -4.029 1.017) 7.294 5.648 ( 7.074 7.911 -1.429) 10.708 6.075 ( -0.215 -3.159 -4.120) 5.196 6.110 ( 1.841 -0.356 -6.178) 6.456 6.218 ( 2.307 10.026 4.104) 11.076 6.550 ( 1.775 -4.612 -2.408) 5.498 7.024 ( -2.857 4.223 -0.945) 5.186 7.671 ( 1.542 -2.222 -3.113) 4.124 7.904 ( -0.547 1.792 -4.479) 4.855 8.355 ( -1.280 -2.345 5.745) 6.336 8.644 ( 1.460 -1.836 -0.998) 2.549 8.723 ( -0.002 -0.435 -9.069) 9.079 8.929 ( -5.919 -1.570 0.818) 6.178 8.990 ( 3.396 0.715 0.664) 3.534 9.079 ( 3.493 -2.030 2.004) 4.509 9.313 ( 1.179 8.429 3.868) 9.349 9.651 ( -0.125 0.970 6.683) 6.754 9.969 ( -2.030 11.125 6.869) 13.231 10.359 ( -1.068 -5.505 -7.876) 9.669 10.476 ( 3.284 -4.177 -0.678) 5.356 10.558 ( 0.184 -2.362 -1.606) 2.863 10.597 ( -0.406 -5.057 -6.063) 7.905 10.808 ( 1.301 -6.750 3.448) 7.690 11.143 ( -6.383 3.525 0.701) 7.325 11.227 ( -0.092 -1.220 2.460) 2.748 11.324 ( 1.930 0.475 -1.023) 2.235 11.736 ( -0.331 4.169 -1.083) 4.320 11.977 ( -1.086 0.132 6.724) 6.813 12.254 ( 0.434 0.048 -4.768) 4.788 12.280 ( -0.710 -0.413 -6.440) 6.492 12.969 ( 3.172 2.697 1.826) 4.546 16.629 ( -1.805 -1.399 3.938) 4.552 16.652 ( -0.360 -1.642 3.318) 3.719 16.920 ( -4.448 -0.286 3.256) 5.520 17.712 ( 3.158 -1.888 2.398) 4.391 17.787 ( -3.416 -7.035 4.441) 8.994 17.958 ( -1.412 1.844 -0.384) 2.354 18.244 ( -9.598 -3.135 -4.398) 11.013 18.521 ( 2.941 0.740 2.976) 4.249 18.618 ( 1.624 3.690 -4.502) 6.043 18.881 ( 1.178 -0.524 3.940) 4.145 19.016 ( -0.854 1.006 -4.748) 4.928 19.136 ( 3.369 1.030 -0.084) 3.524 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -20.929 -8.748 15.420) 27.429 2.341 ( -25.273 -8.070 2.857) 26.684 2.607 ( 2.407 -3.598 3.023) 5.280 2.905 ( 7.408 -12.968 3.227) 15.279 3.270 ( 12.557 -3.374 3.047) 13.354 3.418 ( -3.557 3.050 -1.120) 4.817 3.452 ( -4.887 1.465 -0.603) 5.137 3.611 ( 2.684 1.070 3.087) 4.228 3.670 ( 12.106 2.593 5.322) 13.476 3.820 ( -13.722 -5.480 1.201) 14.824 3.923 ( 0.191 1.759 0.922) 1.996 4.140 ( -5.389 -3.742 -3.713) 7.539 4.211 ( -11.429 1.717 -0.924) 11.594 4.277 ( 2.244 0.748 1.985) 3.088 4.370 ( -1.400 6.372 -0.400) 6.536 4.533 ( 1.900 -2.194 -12.205) 12.545 4.802 ( -5.495 -2.491 3.653) 7.053 5.028 ( 2.633 1.983 -6.861) 7.612 5.083 ( 2.256 6.363 2.808) 7.311 5.096 ( 3.742 -3.507 -9.158) 10.496 5.189 ( 5.879 5.082 6.977) 10.443 5.455 ( -2.397 -0.102 -1.624) 2.897 5.561 ( 9.827 4.014 4.093) 11.377 5.689 ( 9.049 -3.595 2.315) 10.008 5.773 ( 1.656 9.743 -2.888) 10.296 6.030 ( 5.257 -3.070 -4.215) 7.405 6.064 ( 2.471 1.158 -7.360) 7.850 6.363 ( 1.657 5.904 5.090) 7.969 6.503 ( 2.685 -2.316 -6.394) 7.312 6.961 ( -4.397 2.155 -5.835) 7.617 7.699 ( 3.364 0.125 3.521) 4.871 7.895 ( -1.057 2.977 1.904) 3.689 8.376 ( -0.337 -2.899 3.197) 4.329 8.557 ( 1.185 2.337 -12.815) 13.080 8.665 ( 0.919 -1.366 -4.893) 5.163 8.815 ( -6.658 -1.193 -0.984) 6.835 9.100 ( 2.529 -0.491 8.529) 8.910 9.210 ( 5.502 -1.732 12.218) 13.511 9.446 ( 1.539 3.901 7.256) 8.381 9.765 ( -1.852 0.080 14.617) 14.734 10.054 ( -3.724 3.888 2.689) 6.018 10.249 ( -0.603 1.326 -6.182) 6.352 10.415 ( -1.241 -6.870 -7.905) 10.546 10.469 ( 2.224 -1.002 -6.059) 6.532 10.594 ( 5.917 1.384 -3.300) 6.915 10.790 ( 1.034 -5.072 -0.569) 5.208 11.064 ( -8.644 1.758 -1.292) 8.915 11.200 ( 0.426 -4.967 -1.424) 5.185 11.386 ( 0.688 2.764 4.272) 5.135 11.720 ( -1.736 4.072 -6.875) 8.177 11.878 ( 0.049 -1.405 -7.663) 7.791 12.201 ( -2.079 1.680 -5.746) 6.337 12.394 ( 0.378 0.803 17.704) 17.727 13.047 ( 5.324 1.260 -0.905) 5.545 16.652 ( -2.732 -2.178 7.871) 8.612 16.673 ( -2.045 -3.089 6.663) 7.623 16.885 ( -7.572 -2.204 6.548) 10.251 17.619 ( -4.922 -4.529 -11.388) 13.207 17.737 ( 5.535 -1.998 -5.606) 8.127 17.929 ( -10.415 -3.161 -2.709) 11.217 18.106 ( -1.967 1.682 3.638) 4.464 18.551 ( 2.847 -0.957 -5.529) 6.292 18.665 ( -1.630 4.989 6.231) 8.147 18.878 ( -1.768 -1.856 0.381) 2.591 19.013 ( 0.500 1.970 0.788) 2.180 19.199 ( 6.156 0.936 -1.256) 6.352 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -23.257 -6.166 21.137) 32.026 2.005 ( -26.331 -4.200 7.379) 27.666 2.645 ( 9.999 -6.876 -4.349) 12.891 2.844 ( 7.010 -15.805 -7.426) 18.817 3.231 ( -24.808 -1.573 7.328) 25.916 3.389 ( 5.784 -5.771 0.925) 8.222 3.543 ( 3.416 4.239 7.134) 8.974 3.650 ( 0.258 0.856 2.241) 2.413 3.771 ( 0.397 2.028 5.327) 5.713 3.858 ( -2.192 9.674 0.627) 9.939 3.973 ( 9.832 -4.709 4.196) 11.682 4.033 ( -3.981 0.476 -2.434) 4.691 4.090 ( -7.258 3.478 1.408) 8.171 4.271 ( -0.886 -4.614 1.113) 4.828 4.393 ( -3.291 4.653 -5.591) 7.984 4.471 ( 8.141 -2.297 -3.814) 9.279 4.731 ( -1.501 -2.776 -4.013) 5.105 4.948 ( -1.827 4.310 -16.455) 17.107 4.974 ( 2.068 -6.968 -6.148) 9.520 5.141 ( 1.415 1.836 -0.500) 2.371 5.389 ( 5.764 4.501 4.512) 8.593 5.506 ( 1.822 2.759 9.965) 10.500 5.717 ( -3.940 5.614 -5.275) 8.653 5.798 ( 12.171 4.174 4.206) 13.537 5.866 ( 9.673 -2.319 4.820) 11.054 6.021 ( 1.299 2.852 -7.854) 8.456 6.046 ( 5.083 1.760 -6.871) 8.726 6.400 ( 2.172 0.056 -8.835) 9.099 6.493 ( 1.033 0.372 3.639) 3.801 6.819 ( -4.994 -0.645 -8.834) 10.169 7.824 ( 3.608 1.342 8.408) 9.247 7.969 ( -0.889 4.272 8.511) 9.564 8.358 ( 1.816 -1.481 -6.775) 7.169 8.454 ( -2.458 2.180 -7.297) 8.003 8.583 ( -2.547 -1.381 -1.765) 3.392 8.769 ( 4.582 2.389 -7.798) 9.355 9.260 ( -1.828 -1.739 21.462) 21.609 9.386 ( 3.642 -5.993 11.398) 13.383 9.579 ( 1.577 0.712 9.139) 9.302 9.917 ( -2.589 0.915 14.940) 15.190 9.987 ( -0.530 -6.131 -3.923) 7.298 10.169 ( -7.414 -2.119 0.159) 7.712 10.320 ( 3.016 7.469 -12.400) 14.786 10.380 ( -0.364 -0.192 -11.441) 11.449 10.657 ( 6.660 2.304 -4.633) 8.434 10.774 ( 4.775 0.850 -5.970) 7.692 10.926 ( -8.349 -0.961 -0.061) 8.404 11.148 ( 0.984 -4.283 -3.240) 5.459 11.443 ( -2.157 0.285 4.851) 5.317 11.617 ( -2.326 2.449 -7.130) 7.890 11.904 ( 5.398 -0.100 4.765) 7.201 12.111 ( -4.821 3.353 -5.978) 8.380 12.587 ( -1.165 0.234 16.159) 16.203 13.097 ( 6.064 -0.112 -4.543) 7.577 16.703 ( -3.359 -2.368 11.374) 12.094 16.710 ( -3.237 -3.158 10.222) 11.178 16.850 ( -6.663 -3.969 8.638) 11.609 17.380 ( -3.779 -3.125 -14.977) 15.759 17.659 ( -7.947 -1.775 -9.580) 12.574 17.730 ( 3.024 -2.549 -9.078) 9.902 18.182 ( -0.932 1.440 7.570) 7.762 18.496 ( 0.781 -1.134 -5.922) 6.080 18.741 ( -2.685 4.250 5.672) 7.579 18.872 ( -0.293 -0.155 2.609) 2.630 19.033 ( -1.545 1.291 1.249) 2.370 19.270 ( 6.671 0.421 -2.646) 7.189 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -23.018 -2.015 20.201) 30.691 1.787 ( -22.726 0.598 14.401) 26.911 2.669 ( 14.948 -9.244 -9.143) 19.811 2.745 ( 8.652 -12.619 -7.949) 17.242 3.020 ( -20.142 -5.927 14.936) 25.766 3.427 ( 2.562 -4.375 4.980) 7.107 3.661 ( -0.354 5.230 -5.148) 7.347 3.686 ( 1.820 -0.231 6.115) 6.385 3.833 ( -1.227 7.246 -1.905) 7.592 3.879 ( -0.936 3.063 6.241) 7.014 3.941 ( -7.711 6.811 -2.455) 10.578 4.128 ( 1.127 0.607 3.628) 3.848 4.159 ( 7.730 -0.185 4.206) 8.802 4.242 ( -1.082 -2.109 0.097) 2.372 4.333 ( 3.601 -1.898 -2.355) 4.702 4.513 ( 2.534 -3.458 1.882) 4.682 4.651 ( 4.010 -3.408 -7.820) 9.426 4.703 ( -4.022 -1.678 -16.959) 17.510 4.944 ( 0.760 -0.936 0.211) 1.224 5.116 ( 0.203 -2.508 -5.041) 5.634 5.524 ( -2.118 6.951 7.296) 10.298 5.631 ( -6.389 6.910 -4.501) 10.432 5.691 ( 5.904 0.678 8.285) 10.196 5.883 ( 0.488 -0.530 -12.783) 12.803 5.980 ( 0.576 4.296 -8.627) 9.655 6.034 ( 11.511 -1.203 5.204) 12.690 6.098 ( 3.714 6.319 2.492) 7.741 6.325 ( 5.647 1.203 -10.340) 11.843 6.528 ( -3.737 -3.228 3.131) 5.847 6.649 ( -2.192 -3.782 -6.047) 7.462 7.975 ( 0.857 1.446 10.722) 10.853 8.103 ( -1.095 3.293 9.679) 10.282 8.262 ( -1.633 2.536 -7.428) 8.017 8.357 ( 0.151 -2.849 -5.944) 6.593 8.584 ( 1.350 5.941 -3.160) 6.863 8.760 ( 6.345 -1.108 -6.027) 8.821 9.437 ( -1.298 -6.930 11.826) 13.768 9.546 ( 0.623 -3.358 25.347) 25.576 9.608 ( -1.356 -5.763 -3.492) 6.874 9.889 ( -4.017 3.864 -0.783) 5.629 10.065 ( -4.293 -2.937 4.988) 7.206 10.118 ( 2.477 -2.714 8.538) 9.295 10.188 ( 1.948 -1.570 -16.750) 16.936 10.222 ( -5.975 6.122 -13.770) 16.211 10.702 ( 4.769 5.713 -3.597) 8.266 10.747 ( 2.119 4.470 -6.662) 8.298 10.960 ( 4.661 0.936 6.164) 7.784 11.084 ( 0.632 -4.598 -4.089) 6.185 11.441 ( -4.527 0.304 2.235) 5.058 11.549 ( -1.971 -1.553 -1.521) 2.934 11.984 ( -8.205 4.651 -6.789) 11.621 12.091 ( 9.843 -0.310 9.424) 13.630 12.726 ( -2.207 0.185 12.049) 12.251 13.095 ( 5.596 -1.089 -8.818) 10.501 16.743 ( -6.516 -1.815 9.471) 11.638 16.781 ( -3.768 -1.091 10.858) 11.544 16.880 ( 1.608 -4.704 10.040) 11.203 17.159 ( -0.035 -4.231 -13.621) 14.263 17.424 ( -9.817 1.332 -8.031) 12.754 17.696 ( 7.676 -4.742 -4.508) 10.086 18.254 ( -1.717 2.003 5.824) 6.393 18.439 ( 1.176 -1.108 -4.425) 4.711 18.794 ( -2.585 4.597 4.370) 6.849 18.910 ( 0.634 0.814 2.115) 2.354 19.023 ( -3.874 1.215 2.114) 4.578 19.303 ( 4.666 -0.850 -4.981) 6.878 ======================= Grid point 103 (40/65) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 0.000 -9.290 13.825) 16.657 2.619 ( 0.000 -9.644 5.122) 10.919 2.783 ( 0.000 -10.192 4.038) 10.963 2.949 ( 0.000 -3.517 1.901) 3.998 2.986 ( -0.000 -7.405 1.643) 7.586 3.223 ( 0.000 -2.457 2.280) 3.352 3.403 ( 0.000 2.465 -0.713) 2.566 3.523 ( 0.000 4.082 0.602) 4.126 3.641 ( 0.000 1.298 4.390) 4.578 3.970 ( 0.000 -7.074 4.283) 8.270 3.987 ( 0.000 7.282 0.450) 7.296 4.204 ( 0.000 8.849 1.033) 8.909 4.214 ( 0.000 -9.585 -4.416) 10.553 4.399 ( 0.000 -2.426 -5.022) 5.577 4.448 ( 0.000 7.115 -5.656) 9.089 4.602 ( -0.000 2.240 -4.510) 5.036 4.917 ( -0.000 1.192 1.008) 1.561 4.970 ( 0.000 -5.217 -13.209) 14.202 5.003 ( 0.000 1.163 4.351) 4.504 5.056 ( 0.000 9.437 3.758) 10.158 5.116 ( 0.000 2.995 1.282) 3.258 5.414 ( 0.000 1.823 2.426) 3.034 5.498 ( 0.000 -3.112 -2.817) 4.197 5.568 ( 0.000 -3.914 7.232) 8.223 5.630 ( 0.000 7.389 -2.379) 7.762 5.994 ( 0.000 -1.740 -8.081) 8.266 6.029 ( 0.000 2.870 -5.862) 6.527 6.335 ( 0.000 6.084 7.476) 9.638 6.466 ( 0.000 -1.987 -5.722) 6.057 7.026 ( 0.000 3.655 -7.061) 7.951 7.652 ( 0.000 -0.159 3.333) 3.336 7.910 ( 0.000 3.383 1.573) 3.731 8.399 ( 0.000 -4.619 5.264) 7.003 8.534 ( 0.000 -0.088 -13.385) 13.386 8.617 ( 0.000 3.062 -11.676) 12.071 8.958 ( 0.000 -2.652 -0.450) 2.690 9.064 ( 0.000 -1.374 10.839) 10.925 9.114 ( 0.000 0.036 15.172) 15.172 9.425 ( 0.000 4.301 7.416) 8.573 9.793 ( 0.000 1.133 15.594) 15.635 10.130 ( 0.000 8.648 4.306) 9.661 10.222 ( 0.000 -2.442 -10.935) 11.204 10.393 ( 0.000 -0.921 -4.353) 4.450 10.455 ( 0.000 -10.206 -6.724) 12.222 10.541 ( 0.000 0.843 -3.343) 3.448 10.772 ( 0.000 -5.424 -1.138) 5.542 11.196 ( 0.000 -4.687 -1.912) 5.062 11.248 ( 0.000 1.437 2.293) 2.707 11.313 ( -0.000 3.970 0.892) 4.069 11.748 ( 0.000 3.344 -2.447) 4.144 11.878 ( 0.000 -1.725 -15.039) 15.137 12.224 ( 0.000 2.761 -5.941) 6.551 12.387 ( 0.000 1.463 19.216) 19.271 12.972 ( 0.000 1.091 -0.268) 1.124 16.686 ( 0.000 -3.292 7.455) 8.150 16.701 ( 0.000 -2.533 7.147) 7.583 17.004 ( 0.000 -1.552 7.059) 7.227 17.646 ( 0.000 -2.513 -6.571) 7.035 17.691 ( 0.000 -5.716 -12.295) 13.559 18.051 ( 0.000 0.152 9.930) 9.931 18.222 ( -0.000 0.717 -12.700) 12.720 18.455 ( 0.000 -2.216 -0.890) 2.388 18.687 ( 0.000 4.643 6.613) 8.080 18.904 ( 0.000 -2.604 -1.195) 2.865 19.001 ( 0.000 3.863 1.949) 4.326 19.111 ( 0.000 0.506 -1.528) 1.610 ======================= Grid point 105 (41/65) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -4.143 -8.558 13.083) 16.173 2.507 ( -11.886 -8.402 5.379) 15.518 2.654 ( 1.798 -17.041 -8.055) 18.935 2.719 ( -19.914 -6.351 0.602) 20.911 3.105 ( 13.654 -3.388 4.845) 14.879 3.389 ( 15.822 -1.121 -1.400) 15.924 3.502 ( 2.244 4.643 7.486) 9.090 3.598 ( -1.854 5.671 8.092) 10.053 3.732 ( 0.772 1.765 7.672) 7.910 3.946 ( -6.022 -3.503 1.950) 7.235 3.988 ( -4.900 4.311 0.090) 6.527 4.088 ( -1.232 -5.894 -3.331) 6.881 4.287 ( 3.671 0.187 -2.176) 4.272 4.300 ( -1.864 -0.292 -3.656) 4.114 4.438 ( -3.308 6.229 -3.166) 7.731 4.478 ( -9.816 3.038 -3.815) 10.961 4.692 ( 2.228 -7.826 -19.353) 20.994 4.949 ( -0.546 1.029 -1.212) 1.681 5.034 ( -2.965 1.552 -3.834) 5.089 5.109 ( 1.295 5.024 -4.831) 7.089 5.196 ( 5.338 2.072 5.255) 7.772 5.497 ( 1.534 -0.344 7.233) 7.401 5.537 ( 4.165 2.295 8.163) 9.447 5.645 ( 3.960 0.253 3.235) 5.120 5.733 ( 8.883 3.397 1.107) 9.574 5.892 ( -0.307 -1.122 -6.786) 6.885 6.008 ( 0.583 6.496 -5.400) 8.467 6.383 ( -0.106 0.839 -7.906) 7.951 6.457 ( 1.103 0.982 6.826) 6.984 6.929 ( -2.561 2.157 -10.470) 10.992 7.742 ( 1.919 2.008 8.859) 9.284 7.991 ( -0.555 5.055 7.636) 9.174 8.355 ( -1.809 -2.056 -7.985) 8.441 8.440 ( 2.193 0.158 -3.931) 4.504 8.520 ( 3.697 1.914 -12.295) 12.981 8.869 ( -5.958 -1.143 -3.558) 7.033 9.241 ( 2.233 -2.389 19.579) 19.850 9.331 ( 0.482 -0.612 19.232) 19.248 9.549 ( 0.799 1.105 10.799) 10.885 9.959 ( -0.666 -9.043 14.794) 17.352 10.059 ( -5.265 2.817 -5.181) 7.905 10.215 ( 5.035 2.939 -8.654) 10.434 10.290 ( -0.398 -3.515 -8.955) 9.629 10.390 ( -0.280 4.850 -0.845) 4.931 10.506 ( 2.140 2.062 -6.077) 6.764 10.701 ( 1.224 -3.878 -6.346) 7.537 11.123 ( -0.491 -3.401 -4.987) 6.056 11.190 ( -8.789 0.340 0.200) 8.798 11.405 ( 5.216 0.887 1.892) 5.619 11.688 ( -3.506 0.814 -6.148) 7.124 11.788 ( 3.950 -0.511 -2.033) 4.472 12.185 ( -1.156 5.485 -5.597) 7.921 12.610 ( -0.450 1.707 17.743) 17.830 12.975 ( 2.683 -0.550 -2.926) 4.008 16.752 ( -0.803 -4.623 10.432) 11.439 16.764 ( -0.992 -3.923 9.612) 10.429 17.041 ( -5.828 -3.375 9.014) 11.252 17.476 ( -2.489 -3.866 -15.858) 16.511 17.549 ( 4.869 -2.780 -11.849) 13.108 17.984 ( -10.621 1.014 -11.086) 15.386 18.181 ( 1.868 0.388 6.235) 6.521 18.450 ( 2.212 -0.555 -3.352) 4.054 18.792 ( -1.045 2.660 7.320) 7.858 18.853 ( 1.215 -2.580 -2.510) 3.799 19.072 ( -1.149 3.486 3.679) 5.197 19.117 ( 3.773 0.930 -1.870) 4.313 ======================= Grid point 106 (42/65) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 4.548 -11.721 -6.879) 14.331 2.369 ( -19.780 -2.411 16.576) 25.920 2.426 ( -19.531 -3.615 4.985) 20.479 2.471 ( 5.886 -18.656 -11.282) 22.583 3.302 ( 8.513 -4.486 6.102) 11.394 3.508 ( 2.178 1.783 -2.700) 3.900 3.615 ( -5.096 4.349 6.912) 9.626 3.660 ( -2.132 -2.020 3.482) 4.555 3.799 ( 1.917 5.198 -1.455) 5.728 3.879 ( -0.782 -2.228 -1.661) 2.887 3.973 ( -0.103 2.393 6.659) 7.077 4.089 ( 0.924 -1.199 6.907) 7.071 4.199 ( 2.280 -5.580 -5.139) 7.921 4.289 ( -4.519 1.000 0.064) 4.628 4.352 ( -3.365 0.748 -0.239) 3.455 4.391 ( -0.002 -0.485 -9.964) 9.976 4.563 ( 1.441 1.969 -4.281) 4.927 4.809 ( -3.796 5.049 -19.755) 20.740 4.993 ( -3.102 -2.948 6.533) 7.810 5.093 ( 1.416 -1.214 -4.794) 5.144 5.404 ( 9.445 2.207 10.687) 14.433 5.616 ( 0.443 1.246 9.047) 9.143 5.696 ( 8.208 -1.192 -1.673) 8.461 5.738 ( 3.797 8.765 -2.117) 9.784 5.802 ( 0.852 0.896 -0.469) 1.323 5.943 ( 8.111 -0.820 9.264) 12.340 6.005 ( -0.894 8.581 -5.641) 10.308 6.285 ( -1.359 3.612 -10.902) 11.565 6.535 ( 1.003 -3.719 6.571) 7.617 6.771 ( -4.543 -0.133 -10.162) 11.132 7.916 ( 2.980 2.955 12.148) 12.853 8.130 ( -0.821 4.668 11.263) 12.219 8.227 ( 0.397 0.767 -11.775) 11.806 8.380 ( 0.759 3.913 -12.278) 12.908 8.518 ( 6.621 -4.378 0.962) 7.996 8.736 ( -6.750 2.624 -5.371) 9.017 9.449 ( 0.454 -5.727 13.940) 15.078 9.552 ( -0.775 -1.393 26.078) 26.127 9.664 ( -2.456 -1.689 4.327) 5.255 9.906 ( 1.606 -5.450 1.477) 5.870 10.084 ( 2.397 -8.613 6.398) 10.994 10.130 ( -1.981 0.579 -6.985) 7.284 10.155 ( -1.373 2.852 -16.811) 17.107 10.395 ( -5.820 6.331 -3.463) 9.271 10.551 ( 7.743 6.239 -2.918) 10.363 10.629 ( 4.047 2.468 -8.230) 9.497 11.026 ( -5.069 -2.504 0.201) 5.657 11.087 ( -3.340 -1.055 -3.213) 4.753 11.479 ( 3.356 -1.995 2.188) 4.476 11.599 ( -3.465 0.385 -3.135) 4.688 11.873 ( 6.909 -1.325 5.383) 8.858 12.138 ( -3.594 7.204 -6.248) 10.191 12.789 ( -1.999 2.001 14.256) 14.533 12.961 ( 4.087 -1.704 -6.329) 7.724 16.831 ( -0.795 -4.807 9.812) 10.955 16.834 ( -0.368 -5.526 12.736) 13.888 16.995 ( -8.514 -3.778 4.422) 10.311 17.223 ( -4.143 -2.410 -16.767) 17.439 17.490 ( 7.757 -4.197 -7.723) 11.724 17.720 ( -11.695 2.662 -10.519) 15.953 18.277 ( 1.111 0.222 6.454) 6.553 18.413 ( 0.171 -0.191 -5.005) 5.012 18.840 ( 0.564 -0.104 2.264) 2.335 18.869 ( 0.787 1.422 1.122) 1.975 19.111 ( 0.328 1.269 2.570) 2.885 19.158 ( 2.579 1.582 -1.623) 3.434 ======================= Grid point 107 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 6.484 -12.135 -8.308) 16.072 2.232 ( -13.751 -0.452 8.308) 16.072 2.304 ( 7.089 -14.070 -11.374) 19.431 2.304 ( -15.729 -0.896 11.374) 19.431 3.357 ( 0.386 -8.919 -1.952) 9.138 3.357 ( -7.917 -4.125 1.952) 9.138 3.681 ( -2.334 3.967 -1.153) 4.745 3.681 ( 4.603 -0.038 1.153) 4.745 3.874 ( 3.232 5.722 -2.244) 6.944 3.874 ( 3.339 5.660 2.244) 6.944 4.095 ( 2.423 -0.542 -3.497) 4.289 4.095 ( -1.681 1.827 3.497) 4.289 4.236 ( -1.848 0.202 -7.527) 7.753 4.236 ( 1.099 -1.499 7.527) 7.753 4.319 ( 9.102 -5.686 -12.158) 16.218 4.319 ( -9.476 5.040 12.158) 16.218 4.598 ( -2.318 -0.780 -10.309) 10.595 4.598 ( 0.483 -2.398 10.309) 10.595 5.016 ( 0.346 -2.891 -6.700) 7.305 5.016 ( -2.677 -1.146 6.700) 7.305 5.674 ( -0.512 6.083 -8.345) 10.339 5.674 ( 5.524 2.598 8.345) 10.339 5.721 ( 7.289 -1.824 -2.338) 7.869 5.721 ( -5.224 5.400 2.338) 7.869 5.962 ( -4.524 7.883 -7.419) 11.733 5.962 ( 9.089 0.023 7.419) 11.733 6.171 ( -0.613 6.466 -11.556) 13.256 6.171 ( 5.906 2.703 11.556) 13.256 6.587 ( -6.139 -2.814 -7.942) 10.425 6.587 ( 0.633 -6.724 7.942) 10.425 8.112 ( 1.219 2.220 -12.470) 12.725 8.112 ( 1.313 2.165 12.470) 12.725 8.274 ( 0.187 1.304 -10.511) 10.593 8.274 ( 1.036 0.814 10.511) 10.593 8.627 ( -2.505 4.345 -6.318) 8.066 8.627 ( 5.015 0.003 6.318) 8.066 9.508 ( -5.270 -5.767 -9.721) 12.471 9.508 ( -2.360 -7.447 9.721) 12.471 9.868 ( -0.585 -0.206 -28.771) 28.777 9.868 ( 0.114 -0.610 28.771) 28.777 10.010 ( -1.189 1.167 -8.904) 9.058 10.010 ( 1.605 -0.446 8.904) 9.058 10.214 ( -8.676 1.566 -13.799) 16.375 10.214 ( 5.694 -6.730 13.799) 16.375 10.687 ( 4.487 7.889 -2.819) 9.503 10.687 ( 4.588 7.831 2.819) 9.503 11.004 ( -0.521 -1.291 -5.549) 5.721 11.004 ( -0.858 -1.096 5.549) 5.721 11.516 ( -2.019 -1.867 -3.977) 4.835 11.516 ( -0.607 -2.682 3.977) 4.835 12.048 ( -6.782 7.181 -7.598) 12.462 12.048 ( 9.610 -2.283 7.598) 12.462 12.906 ( 4.185 -2.221 -10.628) 11.636 12.906 ( -4.016 2.514 10.628) 11.636 16.870 ( -3.569 -3.474 -4.072) 6.433 16.870 ( -1.224 -4.828 4.072) 6.433 16.967 ( -2.582 -2.509 -16.234) 16.628 16.967 ( -0.882 -3.491 16.234) 16.628 17.524 ( -5.407 1.446 -2.588) 6.166 17.524 ( 3.956 -3.959 2.588) 6.166 18.354 ( 1.244 -0.411 -5.902) 6.045 18.354 ( -0.978 0.871 5.902) 6.045 18.882 ( 1.967 0.521 -2.961) 3.593 18.882 ( -0.532 1.964 2.961) 3.593 19.160 ( 5.237 -1.951 -6.065) 8.247 19.160 ( -4.308 3.560 6.065) 8.247 ======================= Grid point 114 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 -16.176 -8.655) 18.346 2.338 ( 0.000 -21.715 -14.256) 25.976 2.813 ( -0.000 -0.380 14.937) 14.942 2.965 ( -0.000 -2.006 11.543) 11.716 2.974 ( -0.000 -2.554 3.015) 3.952 3.244 ( -0.000 0.254 2.484) 2.497 3.601 ( -0.000 2.397 5.452) 5.956 3.759 ( -0.000 3.867 9.063) 9.854 3.797 ( -0.000 1.738 1.297) 2.169 3.957 ( -0.000 -4.292 -1.334) 4.495 4.016 ( 0.000 0.219 -0.717) 0.750 4.132 ( -0.000 4.235 6.177) 7.490 4.147 ( 0.000 -7.959 -12.878) 15.139 4.266 ( 0.000 -8.676 -17.223) 19.285 4.305 ( 0.000 1.438 -3.838) 4.099 4.458 ( 0.000 3.963 -0.179) 3.967 4.657 ( 0.000 6.003 1.337) 6.150 4.882 ( 0.000 8.721 -17.735) 19.763 5.052 ( -0.000 -2.153 1.525) 2.638 5.057 ( 0.000 -3.044 -1.649) 3.462 5.242 ( -0.000 0.377 8.152) 8.161 5.536 ( -0.000 -3.633 0.384) 3.654 5.609 ( 0.000 7.933 1.679) 8.109 5.661 ( -0.000 0.925 11.919) 11.955 5.795 ( -0.000 -1.904 15.909) 16.023 5.839 ( 0.000 4.250 -6.801) 8.019 6.017 ( 0.000 9.912 -3.926) 10.661 6.311 ( 0.000 3.273 -7.526) 8.207 6.519 ( -0.000 -4.002 6.729) 7.829 6.834 ( 0.000 2.209 -11.841) 12.045 7.870 ( -0.000 3.170 11.942) 12.356 8.139 ( -0.000 4.444 8.247) 9.368 8.244 ( 0.000 3.294 -9.751) 10.292 8.358 ( 0.000 6.613 -16.587) 17.857 8.408 ( -0.000 -8.343 4.402) 9.434 8.857 ( 0.000 0.895 -5.222) 5.298 9.444 ( -0.000 -2.704 21.775) 21.942 9.552 ( -0.000 -1.225 18.790) 18.830 9.695 ( -0.000 0.051 15.183) 15.184 9.926 ( -0.000 -8.878 -0.483) 8.892 9.991 ( 0.000 -9.288 -11.046) 14.432 10.141 ( 0.000 -1.336 -14.174) 14.237 10.261 ( -0.000 9.966 8.561) 13.139 10.348 ( 0.000 3.901 -12.536) 13.129 10.516 ( -0.000 6.319 3.030) 7.008 10.573 ( 0.000 -2.823 -9.363) 9.779 11.049 ( 0.000 -0.453 -5.407) 5.426 11.305 ( -0.000 -1.988 3.167) 3.739 11.307 ( 0.000 -1.078 -3.719) 3.872 11.695 ( 0.000 0.940 -5.116) 5.202 11.736 ( -0.000 -2.916 6.237) 6.885 12.182 ( 0.000 8.359 -5.890) 10.225 12.816 ( -0.000 2.813 15.002) 15.264 12.905 ( 0.000 -1.824 -4.984) 5.307 16.835 ( -0.000 -6.833 10.517) 12.541 16.840 ( -0.000 -5.425 8.636) 10.199 17.175 ( -0.000 -5.003 11.263) 12.324 17.293 ( 0.000 -2.152 -14.091) 14.255 17.323 ( 0.000 -2.774 -16.578) 16.808 17.940 ( 0.000 5.500 -14.200) 15.228 18.208 ( -0.000 -2.456 4.524) 5.148 18.428 ( 0.000 1.351 -0.302) 1.384 18.782 ( 0.000 -2.790 -3.335) 4.348 18.891 ( -0.000 0.562 6.424) 6.448 19.042 ( 0.000 -0.444 -4.457) 4.479 19.180 ( -0.000 4.711 5.082) 6.930 ======================= Grid point 115 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 4.504 -18.678 -13.807) 23.659 2.035 ( 5.841 -22.491 -16.343) 28.409 2.760 ( -16.888 4.325 4.850) 18.095 2.847 ( -16.615 -0.510 10.609) 19.719 3.215 ( 3.925 -7.089 1.554) 8.250 3.395 ( 12.441 2.641 6.054) 14.085 3.606 ( 1.933 -7.248 -8.231) 11.136 3.740 ( -3.941 1.237 -3.258) 5.261 3.790 ( 0.716 -0.411 -4.844) 4.914 3.868 ( 6.283 -6.067 -2.415) 9.062 3.946 ( -3.224 1.950 -6.442) 7.463 4.100 ( -0.119 5.515 2.870) 6.218 4.181 ( 0.830 -1.069 -2.671) 2.994 4.209 ( -0.189 -1.060 9.924) 9.982 4.305 ( 1.049 1.293 1.694) 2.375 4.509 ( -0.741 2.228 5.236) 5.739 4.648 ( -3.235 3.424 -6.675) 8.170 4.737 ( -8.804 6.654 -4.225) 11.817 4.996 ( 0.382 -4.710 -3.619) 5.953 5.077 ( 0.064 -1.534 5.228) 5.449 5.388 ( 9.357 -0.408 6.464) 11.380 5.530 ( 5.391 -0.310 -3.533) 6.453 5.732 ( -1.004 5.449 5.962) 8.139 5.792 ( -0.675 2.498 -2.387) 3.521 5.810 ( 2.826 1.737 9.686) 10.238 5.986 ( 3.958 -0.025 11.159) 11.840 6.051 ( -1.728 11.724 -3.435) 12.339 6.266 ( -2.597 5.937 -2.651) 7.002 6.550 ( 0.869 -7.320 5.467) 9.177 6.713 ( -2.295 1.409 -8.395) 8.816 8.037 ( 2.077 2.296 8.816) 9.344 8.091 ( 0.752 0.693 -9.658) 9.712 8.241 ( 1.077 5.066 -12.045) 13.111 8.318 ( -3.064 2.425 8.906) 9.726 8.443 ( 5.468 -3.050 5.592) 8.395 8.786 ( -4.437 3.706 -3.799) 6.918 9.596 ( -4.647 -4.653 11.961) 13.650 9.685 ( -7.602 -3.486 -3.424) 9.036 9.770 ( 6.334 -3.999 6.925) 10.201 9.860 ( 2.490 -0.844 -12.099) 12.382 9.936 ( -0.628 -2.541 3.894) 4.692 10.011 ( 5.798 -4.470 8.148) 10.954 10.198 ( -5.034 0.983 -5.309) 7.382 10.341 ( 0.433 0.606 -14.255) 14.274 10.545 ( 2.919 5.775 6.271) 9.011 10.614 ( 1.156 6.707 3.737) 7.764 11.001 ( 0.107 2.026 -4.518) 4.953 11.169 ( -8.709 -2.327 0.396) 9.023 11.400 ( 6.811 -3.048 1.127) 7.546 11.612 ( -2.899 -0.852 -4.017) 5.026 11.842 ( 5.516 -3.895 8.021) 10.485 12.165 ( -2.137 9.559 -7.424) 12.290 12.831 ( 1.443 -2.058 -7.703) 8.103 12.983 ( -1.576 3.719 11.882) 12.550 16.851 ( 0.362 -7.896 0.243) 7.908 16.871 ( 1.516 -6.810 1.618) 7.162 17.059 ( -6.347 -2.041 -9.090) 11.273 17.152 ( -4.047 0.229 -2.706) 4.873 17.322 ( 5.998 -6.771 6.276) 11.009 17.788 ( -8.633 5.738 -7.278) 12.666 18.253 ( 4.442 -1.514 -0.711) 4.746 18.427 ( -2.556 1.390 1.373) 3.217 18.763 ( 4.992 -1.254 -3.125) 6.022 18.928 ( -2.165 0.250 1.761) 2.801 19.017 ( 4.094 -1.554 -3.260) 5.460 19.255 ( -1.997 3.914 4.831) 6.531 ======================= Grid point 123 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 -23.357 -18.126) 29.565 1.649 ( 0.000 -21.801 -15.161) 26.554 2.753 ( 0.000 -21.239 -24.508) 32.430 2.951 ( 0.000 8.883 -0.120) 8.884 3.241 ( -0.000 -0.718 0.534) 0.895 3.458 ( -0.000 -4.429 2.862) 5.273 3.472 ( -0.000 4.240 19.534) 19.989 3.720 ( 0.000 1.806 -6.155) 6.415 3.729 ( 0.000 0.138 -2.826) 2.830 3.776 ( -0.000 -3.981 -0.695) 4.041 3.876 ( 0.000 3.750 -11.162) 11.775 4.134 ( 0.000 -0.372 -3.476) 3.496 4.188 ( 0.000 -3.305 -3.861) 5.083 4.243 ( 0.000 7.982 2.602) 8.396 4.420 ( -0.000 3.583 10.788) 11.367 4.557 ( 0.000 1.300 -8.732) 8.828 4.649 ( -0.000 -0.231 14.345) 14.347 4.904 ( -0.000 -7.275 2.036) 7.555 4.922 ( -0.000 7.374 5.581) 9.248 5.114 ( -0.000 -1.187 4.934) 5.075 5.336 ( 0.000 0.234 -2.437) 2.448 5.494 ( -0.000 -0.852 3.019) 3.137 5.737 ( 0.000 3.703 -8.760) 9.510 5.891 ( -0.000 -4.819 12.498) 13.395 5.906 ( -0.000 4.486 10.593) 11.504 6.059 ( -0.000 5.511 2.201) 5.935 6.132 ( 0.000 12.696 -1.617) 12.798 6.375 ( -0.000 4.763 9.942) 11.024 6.520 ( -0.000 -6.062 -0.603) 6.092 6.684 ( -0.000 0.135 0.278) 0.309 7.970 ( 0.000 0.194 -9.659) 9.661 8.041 ( 0.000 2.231 -8.344) 8.637 8.215 ( -0.000 -2.524 3.885) 4.633 8.422 ( -0.000 -0.844 7.810) 7.856 8.496 ( -0.000 5.649 5.396) 7.812 8.834 ( -0.000 4.543 2.626) 5.247 9.498 ( 0.000 -3.269 -24.723) 24.938 9.643 ( 0.000 -2.702 -14.142) 14.398 9.707 ( 0.000 -0.745 -2.428) 2.540 9.870 ( -0.000 -3.168 2.208) 3.862 9.870 ( -0.000 -6.293 16.364) 17.532 10.143 ( 0.000 -1.327 -7.255) 7.375 10.188 ( 0.000 -0.526 -2.096) 2.161 10.225 ( -0.000 1.128 13.567) 13.614 10.664 ( -0.000 4.217 9.965) 10.821 10.706 ( -0.000 5.294 5.424) 7.579 10.977 ( 0.000 5.793 -5.033) 7.674 11.230 ( -0.000 -2.673 0.129) 2.676 11.331 ( -0.000 -3.233 2.255) 3.942 11.561 ( 0.000 -1.751 -5.245) 5.530 11.862 ( -0.000 -6.882 8.778) 11.154 12.158 ( 0.000 9.919 -9.690) 13.866 12.716 ( 0.000 -0.311 -9.970) 9.974 13.145 ( -0.000 4.788 9.194) 10.366 16.723 ( 0.000 -7.177 -9.141) 11.622 16.756 ( 0.000 -5.366 -10.847) 12.102 16.961 ( 0.000 -0.272 -11.807) 11.810 17.212 ( -0.000 -1.048 8.756) 8.818 17.365 ( -0.000 -7.508 11.932) 14.097 17.848 ( 0.000 6.096 -0.691) 6.135 18.187 ( 0.000 -1.071 -3.160) 3.337 18.476 ( -0.000 0.869 2.238) 2.401 18.668 ( 0.000 -1.831 -4.076) 4.468 18.912 ( 0.000 -0.997 -5.586) 5.675 18.983 ( -0.000 -0.892 2.672) 2.817 19.345 ( -0.000 2.794 4.375) 5.191 ======================= Grid point 152 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.000 0.000 27.478) 27.478 2.039 ( -0.000 0.000 27.478) 27.478 3.104 ( 0.000 -0.000 -22.736) 22.736 3.201 ( 0.000 -0.000 -5.385) 5.385 3.201 ( 0.000 0.000 -5.385) 5.385 3.219 ( -0.000 0.000 3.945) 3.945 3.540 ( -0.000 0.000 2.336) 2.336 3.540 ( 0.000 0.000 2.336) 2.336 3.745 ( -0.000 0.000 30.447) 30.447 3.798 ( 0.000 -0.000 -2.835) 2.835 3.798 ( 0.000 -0.000 -2.835) 2.835 4.067 ( 0.000 -0.000 -10.105) 10.105 4.367 ( 0.000 -0.000 -3.179) 3.179 4.367 ( 0.000 -0.000 -3.179) 3.179 4.448 ( -0.000 0.000 7.044) 7.044 4.490 ( -0.000 0.000 13.181) 13.181 4.595 ( 0.000 -0.000 -1.010) 1.010 4.595 ( -0.000 0.000 -1.010) 1.010 5.099 ( 0.000 -0.000 -4.363) 4.363 5.099 ( 0.000 0.000 -4.363) 4.363 5.442 ( 0.000 -0.000 -6.716) 6.716 5.442 ( 0.000 -0.000 -6.716) 6.716 5.470 ( 0.000 -0.000 -6.596) 6.596 5.521 ( -0.000 0.000 14.731) 14.731 5.774 ( 0.000 0.000 -6.489) 6.489 5.774 ( 0.000 0.000 -6.489) 6.489 6.155 ( -0.000 0.000 2.346) 2.346 6.295 ( 0.000 -0.000 -7.766) 7.766 6.770 ( -0.000 -0.000 4.378) 4.378 6.770 ( -0.000 0.000 4.378) 4.378 7.989 ( 0.000 -0.000 -10.137) 10.137 7.989 ( 0.000 -0.000 -10.137) 10.137 8.268 ( -0.000 0.000 8.195) 8.195 8.559 ( -0.000 0.000 10.353) 10.353 8.559 ( -0.000 0.000 10.353) 10.353 9.156 ( -0.000 0.000 5.095) 5.095 9.173 ( 0.000 -0.000 -16.640) 16.640 9.173 ( 0.000 -0.000 -16.640) 16.640 9.330 ( 0.000 -0.000 -20.766) 20.766 9.568 ( -0.000 0.000 1.778) 1.778 9.568 ( -0.000 0.000 1.778) 1.778 10.511 ( -0.000 0.000 9.168) 9.168 10.581 ( -0.000 0.000 4.203) 4.203 10.581 ( -0.000 0.000 4.203) 4.203 10.866 ( -0.000 0.000 2.985) 2.985 10.866 ( -0.000 0.000 2.985) 2.985 11.047 ( 0.000 -0.000 -2.835) 2.835 11.047 ( 0.000 -0.000 -2.835) 2.835 11.469 ( -0.000 0.000 17.197) 17.197 11.527 ( 0.000 -0.000 2.663) 2.663 11.527 ( 0.000 0.000 2.663) 2.663 12.517 ( 0.000 -0.000 -5.996) 5.996 12.717 ( 0.000 -0.000 -21.079) 21.079 12.786 ( -0.000 0.000 1.518) 1.518 16.646 ( 0.000 -0.000 -1.813) 1.813 16.646 ( 0.000 -0.000 -1.813) 1.813 16.921 ( 0.000 -0.000 -2.766) 2.766 17.503 ( -0.000 0.000 17.749) 17.749 17.503 ( -0.000 0.000 17.749) 17.749 18.225 ( -0.000 -0.000 -1.304) 1.304 18.225 ( 0.000 0.000 -1.304) 1.304 18.711 ( 0.000 -0.000 1.437) 1.437 18.711 ( 0.000 0.000 1.437) 1.437 18.741 ( 0.000 -0.000 -9.992) 9.992 19.047 ( -0.000 0.000 3.155) 3.155 19.053 ( 0.000 -0.000 -3.049) 3.049 ======================= Grid point 153 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -1.709 -0.987 23.265) 23.348 2.410 ( 4.036 2.330 24.898) 25.330 2.694 ( -17.980 -10.381 -6.650) 21.801 3.071 ( -16.042 -9.262 -1.773) 18.608 3.246 ( 9.289 5.363 -4.689) 11.706 3.256 ( 1.646 0.951 -0.461) 1.956 3.448 ( 1.197 0.691 1.871) 2.326 3.667 ( -0.676 -0.390 -2.059) 2.202 3.783 ( 2.087 1.205 0.126) 2.413 3.841 ( 8.706 5.026 -0.842) 10.088 3.897 ( -2.385 -1.377 -13.141) 13.426 4.154 ( 4.807 2.775 20.066) 20.819 4.309 ( 1.275 0.736 1.414) 2.041 4.313 ( -7.860 -4.538 1.170) 9.151 4.350 ( -5.337 -3.081 -3.296) 6.989 4.592 ( -0.607 -0.350 8.385) 8.414 4.631 ( 1.403 0.810 9.295) 9.435 4.815 ( 11.907 6.875 -3.618) 14.217 4.949 ( -6.104 -3.524 -7.215) 10.087 5.032 ( -1.298 -0.749 -4.747) 4.978 5.365 ( 1.765 1.019 -9.833) 10.042 5.403 ( 0.128 0.074 -4.538) 4.540 5.427 ( 4.510 2.604 -2.831) 5.927 5.617 ( -2.811 -1.623 6.524) 7.286 5.701 ( 1.789 1.033 -0.735) 2.193 5.866 ( 8.355 4.824 -0.644) 9.669 6.164 ( -0.400 -0.231 0.455) 0.648 6.198 ( -0.206 -0.119 -8.524) 8.528 6.726 ( -3.491 -2.016 0.613) 4.078 6.871 ( 2.335 1.348 2.647) 3.779 7.828 ( -2.201 -1.271 -9.340) 9.680 7.923 ( 2.274 1.313 -9.505) 9.861 8.335 ( -2.859 -1.651 8.593) 9.205 8.651 ( 0.571 0.330 8.823) 8.848 8.752 ( 3.796 2.192 9.715) 10.658 8.938 ( -3.039 -1.754 -12.922) 13.389 9.035 ( 2.190 1.264 -14.201) 14.424 9.162 ( -3.893 -2.247 2.590) 5.187 9.180 ( 3.289 1.899 -11.305) 11.926 9.613 ( 2.222 1.283 2.974) 3.928 9.635 ( 1.615 0.933 6.236) 6.509 10.543 ( -1.215 -0.701 0.747) 1.589 10.557 ( -1.351 -0.780 -5.756) 5.964 10.587 ( -0.192 -0.111 -0.113) 0.249 10.814 ( -6.645 -3.836 1.282) 7.779 10.965 ( 2.349 1.356 6.149) 6.721 11.030 ( -0.253 -0.146 -1.366) 1.397 11.048 ( 1.527 0.881 1.016) 2.035 11.470 ( -4.207 -2.429 0.663) 4.903 11.613 ( 3.028 1.748 1.246) 3.712 11.733 ( 1.972 1.138 22.898) 23.011 12.406 ( -1.260 -0.727 -9.859) 9.966 12.464 ( -0.894 -0.516 -21.718) 21.743 12.847 ( 2.900 1.674 3.943) 5.173 16.629 ( -1.442 -0.832 1.415) 2.185 16.651 ( 0.219 0.126 1.614) 1.634 16.905 ( -1.337 -0.772 0.972) 1.824 17.669 ( -0.645 -0.373 13.358) 13.379 17.709 ( -0.121 -0.070 17.624) 17.625 18.091 ( -6.475 -3.738 -5.221) 9.119 18.313 ( 5.737 3.312 1.427) 6.776 18.504 ( -11.256 -6.498 -5.064) 13.949 18.679 ( 1.237 0.714 -6.411) 6.568 18.839 ( 6.462 3.731 0.541) 7.481 19.025 ( -0.172 -0.099 -3.557) 3.563 19.087 ( 1.627 0.940 1.710) 2.541 ======================= Grid point 154 (49/65) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -22.028 -12.718 3.575) 25.686 2.502 ( -0.180 -0.104 17.218) 17.220 2.693 ( -23.840 -13.764 -0.230) 27.529 2.848 ( 5.835 3.369 25.817) 26.682 3.310 ( 1.860 1.074 4.670) 5.140 3.369 ( 7.244 4.183 -0.918) 8.415 3.525 ( 6.553 3.783 -2.462) 7.957 3.558 ( -4.235 -2.445 -7.623) 9.057 3.670 ( -5.220 -3.014 -9.841) 11.540 3.873 ( 6.517 3.763 1.852) 7.750 4.005 ( 0.932 0.538 1.870) 2.157 4.125 ( -9.674 -5.585 4.084) 11.893 4.127 ( -5.791 -3.343 -2.994) 7.327 4.312 ( 2.415 1.394 -5.218) 5.917 4.515 ( -10.168 -5.871 -3.849) 12.356 4.619 ( 5.803 3.350 10.507) 12.462 4.720 ( 4.733 2.733 3.299) 6.384 4.857 ( 4.056 2.342 -3.294) 5.725 4.873 ( 1.506 0.870 1.916) 2.588 5.057 ( 3.139 1.812 1.091) 3.785 5.280 ( 2.242 1.294 -11.297) 11.590 5.418 ( 4.536 2.619 0.843) 5.306 5.480 ( 1.827 1.055 -2.765) 3.478 5.612 ( 0.694 0.401 0.192) 0.824 5.762 ( 5.025 2.901 -0.392) 5.816 6.023 ( 7.679 4.433 1.574) 9.006 6.112 ( 1.797 1.038 -7.213) 7.506 6.163 ( 0.732 0.423 -1.216) 1.481 6.666 ( -1.244 -0.718 -4.128) 4.371 6.909 ( 0.504 0.291 -0.256) 0.636 7.727 ( -0.155 -0.090 -4.287) 4.291 7.862 ( 1.207 0.697 -6.261) 6.414 8.376 ( -3.210 -1.853 8.201) 9.000 8.705 ( 0.240 0.138 -16.146) 16.149 8.707 ( 1.385 0.800 -1.944) 2.517 8.903 ( -6.669 -3.851 7.107) 10.479 9.020 ( 5.085 2.936 0.081) 5.872 9.159 ( 2.611 1.507 5.821) 6.555 9.176 ( 2.993 1.728 1.196) 3.657 9.708 ( 2.082 1.202 6.881) 7.288 9.740 ( 0.649 0.375 8.149) 8.183 10.435 ( -0.980 -0.566 -10.389) 10.450 10.532 ( -0.299 -0.172 -1.167) 1.217 10.591 ( 2.547 1.471 -2.141) 3.638 10.677 ( -8.250 -4.763 -2.308) 9.802 10.986 ( -3.569 -2.060 -0.581) 4.162 10.999 ( -0.138 -0.080 -2.078) 2.084 11.160 ( 2.722 1.571 9.415) 9.925 11.399 ( -3.452 -1.993 -1.019) 4.115 11.653 ( 1.977 1.141 -1.998) 3.033 11.967 ( -0.577 -0.333 8.592) 8.618 12.257 ( 0.344 0.199 -6.241) 6.253 12.279 ( -0.828 -0.478 -9.211) 9.260 12.957 ( 5.069 2.927 2.603) 6.406 16.631 ( -2.763 -1.595 5.501) 6.359 16.679 ( -1.286 -0.742 4.555) 4.791 16.885 ( -4.702 -2.715 4.735) 7.205 17.776 ( 1.412 0.815 4.470) 4.758 17.866 ( -8.642 -4.989 9.146) 13.536 17.911 ( 0.011 0.006 -2.381) 2.381 18.236 ( -10.440 -6.028 -8.296) 14.634 18.442 ( 4.441 2.564 4.845) 7.055 18.633 ( 1.102 0.636 -5.512) 5.657 18.938 ( 4.277 2.469 0.108) 4.940 18.960 ( -2.515 -1.452 -3.021) 4.191 19.148 ( 4.293 2.478 0.117) 4.958 ======================= Grid point 155 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -22.705 -13.109 15.541) 30.477 2.268 ( -25.422 -14.677 2.803) 29.488 2.679 ( 1.936 1.118 10.780) 11.009 3.197 ( -1.446 -0.835 17.873) 17.951 3.323 ( -8.380 -4.838 -3.008) 10.133 3.404 ( -1.308 -0.755 -4.619) 4.859 3.421 ( 2.424 1.399 7.808) 8.295 3.605 ( 8.189 4.728 -6.644) 11.557 3.611 ( 3.559 2.055 2.468) 4.794 3.824 ( -15.095 -8.715 4.017) 17.887 3.976 ( -5.042 -2.911 -2.569) 6.364 4.024 ( 6.183 3.570 0.243) 7.143 4.167 ( 1.558 0.900 -0.816) 1.976 4.195 ( -5.993 -3.460 -4.038) 8.012 4.429 ( 4.199 2.424 -1.595) 5.104 4.562 ( -1.993 -1.151 -7.018) 7.386 4.884 ( 1.937 1.118 -1.531) 2.711 4.921 ( 1.449 0.836 -0.522) 1.752 5.006 ( 8.533 4.927 2.440) 10.151 5.125 ( 4.282 2.472 3.879) 6.284 5.199 ( 2.432 1.404 -9.457) 9.865 5.409 ( -3.432 -1.982 -0.966) 4.079 5.577 ( 9.644 5.568 4.724) 12.097 5.653 ( 3.982 2.299 -4.507) 6.439 5.859 ( 6.350 3.666 0.182) 7.334 6.025 ( 2.699 1.558 -9.054) 9.576 6.149 ( 0.829 0.478 -4.647) 4.744 6.239 ( 7.021 4.054 7.456) 11.014 6.588 ( 0.963 0.556 -9.534) 9.598 6.881 ( -1.166 -0.673 -3.915) 4.140 7.738 ( 2.488 1.437 2.836) 4.037 7.837 ( 0.713 0.412 -0.726) 1.098 8.407 ( -1.450 -0.837 4.900) 5.178 8.531 ( 0.696 0.402 -16.381) 16.401 8.727 ( 4.758 2.747 -2.553) 6.058 8.761 ( -10.955 -6.325 -0.304) 12.653 9.130 ( 2.696 1.557 6.068) 6.820 9.312 ( 1.470 0.849 14.617) 14.715 9.362 ( 7.667 4.427 9.974) 13.336 9.829 ( -0.790 -0.456 7.557) 7.612 9.830 ( -0.201 -0.116 11.461) 11.463 10.299 ( 0.640 0.369 -12.897) 12.918 10.485 ( -7.599 -4.387 -6.567) 10.960 10.497 ( -0.366 -0.212 -4.812) 4.830 10.633 ( 5.259 3.037 -2.793) 6.685 10.907 ( -4.861 -2.807 0.746) 5.663 10.937 ( -1.569 -0.906 -6.514) 6.761 11.305 ( 0.894 0.516 9.513) 9.568 11.333 ( -2.471 -1.427 -1.523) 3.234 11.624 ( 0.683 0.395 -8.087) 8.125 11.894 ( -0.273 -0.157 -6.223) 6.231 12.166 ( -1.223 -0.706 -8.250) 8.370 12.388 ( 0.956 0.552 17.028) 17.064 13.067 ( 5.819 3.359 -0.413) 6.732 16.656 ( -4.072 -2.351 9.556) 10.650 16.703 ( -3.574 -2.064 7.225) 8.320 16.856 ( -6.740 -3.891 8.678) 11.656 17.640 ( -7.539 -4.352 -11.078) 14.089 17.821 ( 3.330 1.922 -3.662) 5.310 17.913 ( -10.425 -6.019 -5.134) 13.087 18.064 ( -0.110 -0.063 5.529) 5.531 18.560 ( 1.697 0.980 6.069) 6.378 18.584 ( 0.379 0.219 -5.807) 5.823 18.892 ( -2.898 -1.673 0.300) 3.359 18.992 ( 2.043 1.179 -0.103) 2.361 19.233 ( 5.849 3.377 -1.247) 6.868 ======================= Grid point 156 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -22.189 -12.811 19.286) 32.069 1.895 ( -23.761 -13.718 8.032) 28.588 2.820 ( 4.368 2.522 4.981) 7.089 2.938 ( -23.314 -13.461 8.446) 28.215 3.283 ( -1.962 -1.133 -2.885) 3.668 3.539 ( 2.856 1.649 1.459) 3.607 3.551 ( 3.389 1.957 4.769) 6.169 3.610 ( -5.146 -2.971 8.015) 9.978 3.643 ( 5.950 3.435 -7.153) 9.918 3.765 ( 0.749 0.433 5.376) 5.445 3.854 ( -5.158 -2.978 -1.067) 6.051 4.071 ( -2.824 -1.630 3.894) 5.079 4.138 ( 6.734 3.888 -0.933) 7.832 4.205 ( -1.065 -0.615 1.724) 2.118 4.473 ( 0.947 0.547 -7.068) 7.152 4.494 ( 3.127 1.805 -0.239) 3.619 4.819 ( -0.741 -0.428 -11.004) 11.037 4.909 ( 3.506 2.024 -7.214) 8.272 5.029 ( -0.221 -0.128 -7.835) 7.839 5.160 ( 1.195 0.690 -4.227) 4.447 5.245 ( 3.000 1.732 4.790) 5.911 5.479 ( 2.767 1.598 9.750) 10.260 5.631 ( 1.698 0.981 -5.090) 5.455 5.836 ( 12.416 7.168 5.793) 15.463 5.969 ( 3.060 1.766 -10.060) 10.662 5.984 ( 6.682 3.858 1.303) 7.825 6.069 ( -0.668 -0.386 -10.307) 10.335 6.438 ( 3.991 2.304 9.441) 10.506 6.480 ( 1.905 1.100 -14.001) 14.173 6.783 ( -2.844 -1.642 -6.791) 7.543 7.869 ( 4.115 2.376 9.138) 10.300 7.875 ( 0.583 0.337 5.410) 5.451 8.356 ( -1.061 -0.613 -13.815) 13.870 8.447 ( 2.281 1.317 1.130) 2.866 8.569 ( -7.338 -4.237 -4.495) 9.592 8.794 ( 6.650 3.839 -5.032) 9.181 9.271 ( -2.489 -1.437 20.099) 20.304 9.508 ( -0.174 -0.100 16.152) 16.154 9.596 ( 6.385 3.686 7.788) 10.724 9.879 ( -1.609 -0.929 5.104) 5.432 9.944 ( -2.776 -1.602 12.512) 12.916 10.165 ( 0.609 0.352 -13.075) 13.094 10.286 ( -5.402 -3.119 -7.265) 9.575 10.396 ( -0.559 -0.323 -11.810) 11.828 10.690 ( 6.062 3.500 -6.287) 9.408 10.794 ( -1.729 -0.998 -12.742) 12.897 10.874 ( -1.073 -0.619 4.799) 4.957 11.278 ( -2.203 -1.272 -1.164) 2.797 11.374 ( -1.822 -1.052 3.103) 3.749 11.546 ( -0.034 -0.019 -2.643) 2.643 11.939 ( 5.122 2.957 5.665) 8.189 12.038 ( -3.195 -1.845 -8.218) 9.009 12.580 ( -0.207 -0.120 15.114) 15.116 13.139 ( 5.349 3.088 -4.507) 7.646 16.702 ( -5.108 -2.949 12.766) 14.063 16.718 ( -5.643 -3.258 9.710) 11.693 16.867 ( -4.816 -2.781 12.006) 13.231 17.391 ( -4.783 -2.761 -12.940) 14.069 17.634 ( -8.915 -5.147 -11.480) 15.419 17.819 ( 3.866 2.232 -6.800) 8.134 18.144 ( -0.642 -0.371 6.909) 6.949 18.519 ( -0.268 -0.155 -5.312) 5.321 18.634 ( -0.490 -0.283 5.377) 5.407 18.877 ( -1.675 -0.967 3.948) 4.396 19.007 ( 0.422 0.244 -0.998) 1.110 19.312 ( 5.273 3.044 -2.470) 6.570 ======================= Grid point 161 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -0.000 -9.321 16.884) 19.286 2.684 ( -0.000 2.430 24.473) 24.594 2.751 ( -0.000 -8.249 6.964) 10.796 3.070 ( -0.000 -5.654 2.212) 6.072 3.214 ( -0.000 -0.895 -0.090) 0.900 3.270 ( 0.000 2.145 -1.990) 2.926 3.397 ( -0.000 -7.910 4.485) 9.093 3.633 ( 0.000 -6.266 -5.589) 8.396 3.739 ( 0.000 -3.090 -10.996) 11.422 3.798 ( 0.000 5.037 -2.475) 5.612 3.839 ( 0.000 12.861 2.514) 13.104 4.182 ( 0.000 -4.294 -3.456) 5.512 4.282 ( 0.000 5.835 -6.669) 8.861 4.430 ( -0.000 -2.150 7.451) 7.755 4.493 ( -0.000 5.749 13.556) 14.724 4.557 ( -0.000 -7.968 0.229) 7.971 4.752 ( -0.000 -1.386 3.067) 3.365 4.811 ( 0.000 10.091 2.432) 10.380 4.870 ( 0.000 -1.240 -7.166) 7.273 4.985 ( 0.000 3.747 -2.776) 4.663 5.251 ( 0.000 -2.287 -8.370) 8.677 5.366 ( 0.000 1.339 -3.524) 3.770 5.395 ( 0.000 6.660 -2.256) 7.032 5.636 ( -0.000 -4.704 0.995) 4.808 5.682 ( -0.000 -4.233 1.769) 4.587 5.912 ( 0.000 12.021 3.735) 12.588 6.089 ( 0.000 0.227 -10.400) 10.403 6.149 ( 0.000 -1.102 -2.026) 2.306 6.681 ( 0.000 -7.447 -3.705) 8.318 6.900 ( 0.000 7.431 -2.667) 7.895 7.732 ( 0.000 -3.567 -5.447) 6.511 7.840 ( 0.000 3.670 -6.319) 7.308 8.440 ( -0.000 -3.048 9.221) 9.712 8.675 ( 0.000 -1.671 -5.418) 5.670 8.715 ( 0.000 1.431 -14.696) 14.765 8.920 ( -0.000 0.632 2.003) 2.100 8.954 ( -0.000 2.468 9.440) 9.757 9.145 ( -0.000 4.022 4.291) 5.881 9.176 ( -0.000 -4.659 -0.065) 4.660 9.647 ( -0.000 -1.365 7.789) 7.908 9.758 ( -0.000 7.516 8.115) 11.061 10.464 ( 0.000 -2.870 -9.967) 10.372 10.518 ( 0.000 -0.800 -5.840) 5.894 10.543 ( 0.000 0.999 -3.050) 3.210 10.823 ( -0.000 -10.534 -0.426) 10.542 10.955 ( -0.000 -5.928 2.383) 6.389 11.091 ( -0.000 5.719 2.945) 6.433 11.093 ( -0.000 6.528 3.608) 7.459 11.451 ( -0.000 -7.432 -0.929) 7.490 11.630 ( 0.000 5.229 -0.873) 5.302 11.970 ( -0.000 0.510 13.379) 13.388 12.253 ( 0.000 -0.073 -10.742) 10.742 12.284 ( 0.000 0.225 -11.583) 11.585 12.884 ( -0.000 2.326 3.203) 3.959 16.680 ( -0.000 -1.113 6.039) 6.140 16.686 ( -0.000 -1.318 6.055) 6.196 16.952 ( -0.000 -0.278 5.611) 5.617 17.760 ( -0.000 -3.631 4.170) 5.529 17.876 ( -0.000 3.778 8.118) 8.954 18.044 ( -0.000 -10.615 -1.444) 10.713 18.328 ( -0.000 4.405 2.541) 5.085 18.460 ( 0.000 3.294 -12.624) 13.046 18.607 ( -0.000 -6.929 -0.427) 6.942 18.826 ( 0.000 4.982 1.504) 5.204 19.001 ( 0.000 0.393 -3.006) 3.032 19.092 ( 0.000 0.838 0.204) 0.862 ======================= Grid point 162 (53/65) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -12.896 -14.256 14.849) 24.291 2.719 ( -7.897 -4.729 14.131) 16.865 2.904 ( -21.042 -9.825 0.993) 23.244 3.032 ( 7.626 -3.905 20.549) 22.263 3.226 ( 9.757 -5.193 6.989) 13.078 3.371 ( 7.470 0.119 -2.021) 7.739 3.421 ( -1.289 1.089 -0.599) 1.790 3.538 ( 3.741 -4.384 -4.670) 7.418 3.609 ( -1.663 0.426 -2.138) 2.742 3.813 ( 0.688 3.680 -0.406) 3.766 4.008 ( 4.261 10.033 0.689) 10.922 4.125 ( 0.439 -1.385 -2.021) 2.489 4.250 ( -0.182 6.728 -6.096) 9.081 4.318 ( -12.408 -5.671 3.124) 13.996 4.463 ( -3.110 -10.050 -5.169) 11.721 4.598 ( -2.660 -3.084 -13.697) 14.290 4.778 ( 4.564 10.815 11.243) 16.254 4.849 ( -0.628 3.680 1.170) 3.912 4.926 ( 0.318 4.699 2.225) 5.209 5.045 ( 3.074 3.869 0.387) 4.957 5.131 ( 1.736 -2.470 -10.224) 10.660 5.390 ( 5.327 3.229 -0.914) 6.296 5.447 ( 1.476 6.902 -1.461) 7.207 5.583 ( -0.253 -2.406 -2.885) 3.765 5.714 ( 3.394 -4.881 6.146) 8.551 5.977 ( 0.715 2.235 -10.384) 10.646 6.044 ( 4.329 1.736 -1.350) 4.856 6.158 ( 0.887 6.653 4.089) 7.859 6.566 ( 0.415 -5.266 -8.249) 9.795 6.897 ( -0.224 6.003 -6.828) 9.094 7.688 ( 1.104 -1.769 0.739) 2.212 7.826 ( 0.175 3.550 -1.340) 3.799 8.476 ( -2.449 -3.146 2.433) 4.670 8.519 ( -0.405 0.893 -16.998) 17.026 8.606 ( 3.649 0.976 -7.239) 8.165 9.013 ( -5.236 -4.865 3.599) 8.002 9.068 ( 0.329 0.562 14.350) 14.364 9.169 ( 4.388 -1.226 8.579) 9.713 9.299 ( 0.907 5.959 12.363) 13.754 9.761 ( 1.661 -0.350 10.713) 10.847 9.901 ( -1.271 8.420 7.538) 11.373 10.314 ( -1.127 -3.849 -9.566) 10.373 10.454 ( 3.423 -0.470 -8.888) 9.536 10.514 ( 0.104 1.565 -4.772) 5.023 10.688 ( -3.721 -10.511 -3.438) 11.668 10.913 ( 0.927 -4.977 -3.902) 6.392 11.096 ( -7.100 3.618 2.836) 8.459 11.248 ( 3.866 3.900 7.607) 9.382 11.368 ( -0.379 -7.013 -2.694) 7.522 11.639 ( -1.137 4.558 -3.805) 6.046 11.902 ( -0.131 -0.524 -13.726) 13.736 12.168 ( 0.418 1.933 -10.737) 10.917 12.361 ( 0.742 1.051 18.509) 18.554 12.946 ( 2.749 2.418 1.016) 3.799 16.740 ( -2.119 -2.357 10.194) 10.675 16.760 ( -0.720 -2.484 9.358) 9.709 17.008 ( -3.776 -1.643 9.359) 10.225 17.735 ( 2.126 -3.008 -5.634) 6.731 17.802 ( -3.182 -3.401 -13.400) 14.186 18.068 ( -1.890 -3.641 14.022) 14.609 18.185 ( -6.615 -2.820 -14.181) 15.900 18.521 ( 0.978 8.029 7.514) 11.039 18.560 ( 1.267 -3.553 -3.013) 4.828 18.909 ( 3.146 4.588 1.170) 5.685 18.956 ( -1.334 -1.649 -1.965) 2.891 19.110 ( 2.593 1.290 -1.174) 3.125 ======================= Grid point 163 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -20.934 -11.845 19.771) 31.136 2.533 ( -24.317 -11.404 3.667) 27.107 2.754 ( 0.277 -8.049 6.904) 10.608 3.168 ( 4.530 -18.316 -2.715) 19.063 3.339 ( 1.394 0.974 -0.640) 1.817 3.419 ( 5.538 -0.684 7.542) 9.382 3.450 ( 1.367 0.517 5.362) 5.558 3.583 ( 3.654 5.834 1.840) 7.126 3.679 ( -4.714 7.194 9.137) 12.549 3.838 ( 6.045 -5.725 -1.997) 8.562 4.005 ( -3.293 -0.942 0.069) 3.426 4.132 ( -13.860 3.127 1.800) 14.322 4.187 ( -5.576 -2.333 -5.978) 8.501 4.222 ( -1.346 6.983 2.680) 7.599 4.325 ( 4.455 -2.951 0.774) 5.400 4.434 ( 2.608 -2.257 -11.869) 12.360 4.804 ( 0.668 1.590 -13.761) 13.868 4.879 ( -1.402 -0.259 -9.459) 9.566 4.996 ( 3.282 4.738 1.870) 6.060 5.075 ( 3.884 -0.044 -1.399) 4.129 5.159 ( 4.333 6.512 4.611) 9.079 5.470 ( 0.355 4.530 2.504) 5.188 5.543 ( 6.708 2.268 1.633) 7.267 5.583 ( 3.041 4.242 -0.017) 5.219 5.811 ( 4.840 -1.782 5.121) 7.268 5.901 ( 1.995 3.871 -10.322) 11.203 6.045 ( 4.418 -4.164 -4.221) 7.394 6.331 ( 2.033 7.297 8.119) 11.103 6.435 ( 1.246 -1.158 -10.955) 11.086 6.835 ( -0.871 2.985 -8.775) 9.309 7.757 ( 3.390 0.093 7.208) 7.966 7.874 ( -0.034 4.238 4.783) 6.391 8.339 ( 0.615 1.708 -16.753) 16.851 8.415 ( 1.440 1.068 -7.983) 8.182 8.635 ( 3.657 -2.285 2.226) 4.852 8.842 ( -10.372 -5.405 -3.387) 12.176 9.292 ( 0.831 -0.354 22.244) 22.263 9.388 ( 6.353 -0.090 13.931) 15.311 9.504 ( 1.234 3.544 14.493) 14.971 9.887 ( 0.654 1.380 5.719) 5.919 10.011 ( -1.613 9.316 2.699) 9.832 10.188 ( -1.763 -5.880 -0.943) 6.211 10.369 ( 1.443 -2.137 -11.987) 12.262 10.428 ( -2.817 -0.757 -9.717) 10.145 10.558 ( 2.190 -4.269 -4.057) 6.283 10.811 ( 0.326 -4.086 -9.985) 10.794 11.032 ( -9.114 1.216 2.183) 9.450 11.275 ( 0.879 -7.455 -2.667) 7.966 11.411 ( 2.154 2.383 7.247) 7.927 11.569 ( -3.184 4.293 -7.232) 8.992 11.831 ( 3.442 1.073 -1.697) 3.985 12.077 ( -0.138 2.796 -9.631) 10.029 12.578 ( 0.274 0.909 16.334) 16.361 13.004 ( 4.356 1.973 -2.440) 5.368 16.818 ( -3.254 -3.335 13.479) 14.261 16.833 ( -2.788 -3.624 11.897) 12.745 17.030 ( -7.006 -3.582 10.469) 13.096 17.536 ( -5.140 -4.639 -15.610) 17.076 17.689 ( 5.329 -2.041 -8.796) 10.485 17.879 ( -9.258 -3.446 -14.558) 17.593 18.179 ( -1.527 -0.514 9.950) 10.080 18.509 ( 0.908 -1.754 -5.191) 5.554 18.660 ( -1.085 5.303 7.449) 9.208 18.915 ( -0.352 -2.284 0.128) 2.314 18.982 ( 1.001 3.506 0.974) 3.774 19.157 ( 5.552 1.939 -2.265) 6.302 ======================= Grid point 164 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -22.659 -9.682 8.377) 26.026 2.219 ( -23.886 -9.460 17.000) 30.806 2.761 ( 6.086 -11.184 0.068) 12.733 2.999 ( 2.782 -15.525 -8.565) 17.948 3.307 ( -7.557 1.810 2.658) 8.213 3.470 ( -1.564 6.320 -10.105) 12.020 3.576 ( 2.944 -6.303 10.522) 12.614 3.655 ( -0.667 0.452 7.322) 7.366 3.754 ( 0.442 0.252 4.084) 4.115 3.870 ( -5.233 -0.130 8.448) 9.938 3.967 ( -9.630 2.534 0.603) 9.976 4.027 ( 4.594 1.654 -2.135) 5.329 4.135 ( -0.317 -0.481 5.227) 5.258 4.263 ( -1.322 3.489 0.134) 3.734 4.335 ( 2.418 -1.773 -6.927) 7.548 4.455 ( 7.011 0.890 3.940) 8.091 4.638 ( 1.906 2.445 -17.855) 18.123 4.739 ( 3.383 -3.121 -11.431) 12.323 5.026 ( -1.601 -1.784 1.798) 2.996 5.113 ( 1.746 0.671 -1.159) 2.201 5.343 ( 1.405 9.383 6.619) 11.568 5.536 ( 0.568 3.824 -7.092) 8.077 5.579 ( 3.027 2.800 7.541) 8.595 5.787 ( 10.509 4.299 4.599) 12.250 5.849 ( 1.833 4.784 -8.864) 10.238 5.889 ( 5.845 0.448 -5.449) 8.004 6.027 ( -0.811 -1.009 2.291) 2.631 6.276 ( 3.226 -1.360 -13.536) 13.982 6.539 ( 2.111 3.514 10.064) 10.867 6.727 ( -2.201 -0.087 -8.280) 8.568 7.919 ( 3.915 0.458 10.977) 11.663 8.001 ( 0.431 5.508 10.811) 12.141 8.186 ( 1.724 2.505 -15.122) 15.424 8.368 ( 4.577 1.982 -9.871) 11.060 8.612 ( -9.845 -4.066 -3.523) 11.219 8.708 ( 3.901 -1.900 1.668) 4.649 9.565 ( -1.748 -1.498 26.028) 26.130 9.600 ( 5.473 -3.030 12.126) 13.645 9.682 ( 0.787 -0.452 9.502) 9.545 9.880 ( -1.115 1.172 -6.426) 6.626 10.034 ( -2.279 9.212 -6.878) 11.720 10.189 ( -1.816 -2.792 2.287) 4.041 10.209 ( -0.548 -3.982 -7.682) 8.669 10.263 ( -5.056 -2.644 -1.948) 6.029 10.563 ( 6.398 1.739 -5.455) 8.585 10.639 ( -0.276 -0.781 -15.015) 15.038 10.967 ( -5.321 -0.314 4.410) 6.918 11.213 ( 2.227 -7.659 -1.907) 8.201 11.454 ( -5.169 3.911 -0.341) 6.490 11.555 ( 1.957 0.855 2.834) 3.549 11.948 ( 7.015 2.599 6.464) 9.887 11.977 ( -2.531 2.750 -9.078) 9.818 12.740 ( -0.924 0.568 12.011) 12.060 13.024 ( 4.647 1.243 -6.888) 8.401 16.896 ( -4.978 -3.855 13.055) 14.493 16.897 ( -5.679 -3.710 13.150) 14.796 17.014 ( -4.358 -4.884 7.231) 9.754 17.267 ( -3.448 -3.678 -14.687) 15.529 17.568 ( -8.734 -2.622 -13.450) 16.250 17.685 ( 6.722 -2.160 -3.471) 7.868 18.243 ( -2.752 0.831 6.049) 6.698 18.449 ( 1.272 -1.285 -5.049) 5.363 18.736 ( -3.046 3.622 5.153) 6.996 18.917 ( 1.137 -2.157 1.809) 3.036 19.011 ( -1.547 3.086 0.684) 3.519 19.221 ( 6.318 1.684 -3.381) 7.361 ======================= Grid point 170 (56/65) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 0.000 -14.125 14.971) 20.582 2.892 ( -0.000 -13.784 10.094) 17.085 3.015 ( 0.000 -11.135 5.062) 12.231 3.055 ( -0.000 -6.370 3.215) 7.135 3.159 ( -0.000 -11.689 2.671) 11.990 3.321 ( 0.000 -9.491 -4.293) 10.417 3.378 ( 0.000 4.829 11.363) 12.347 3.474 ( 0.000 4.776 2.639) 5.457 3.664 ( 0.000 3.939 7.370) 8.357 3.903 ( -0.000 6.160 2.467) 6.636 4.053 ( 0.000 6.419 -1.390) 6.568 4.103 ( 0.000 2.495 2.424) 3.478 4.216 ( 0.000 2.931 -10.023) 10.442 4.319 ( 0.000 -2.030 -3.227) 3.812 4.374 ( 0.000 -3.278 -9.063) 9.638 4.526 ( 0.000 -1.951 -0.799) 2.108 4.785 ( 0.000 6.527 -18.408) 19.531 4.932 ( 0.000 -2.106 -7.674) 7.958 4.946 ( 0.000 1.177 1.541) 1.939 5.000 ( 0.000 4.532 3.216) 5.557 5.086 ( 0.000 5.253 3.787) 6.476 5.353 ( 0.000 7.621 -3.808) 8.519 5.497 ( 0.000 6.508 1.695) 6.725 5.566 ( 0.000 -2.988 5.082) 5.895 5.759 ( 0.000 -6.150 12.323) 13.772 5.875 ( 0.000 4.335 -10.212) 11.093 5.939 ( 0.000 -3.477 -7.756) 8.500 6.315 ( 0.000 9.706 10.032) 13.959 6.424 ( 0.000 -4.013 -9.871) 10.655 6.841 ( 0.000 6.475 -11.590) 13.276 7.711 ( 0.000 -0.356 6.567) 6.577 7.875 ( 0.000 5.072 4.332) 6.670 8.348 ( 0.000 1.543 -16.388) 16.461 8.366 ( 0.000 3.894 -16.340) 16.798 8.602 ( 0.000 -7.360 8.567) 11.294 9.008 ( 0.000 -6.085 -3.946) 7.253 9.258 ( 0.000 -0.568 18.147) 18.156 9.303 ( 0.000 1.930 20.078) 20.171 9.485 ( 0.000 3.484 15.150) 15.546 9.875 ( 0.000 6.067 4.529) 7.570 10.028 ( 0.000 9.091 0.557) 9.109 10.216 ( 0.000 -7.206 0.501) 7.223 10.323 ( 0.000 -2.042 -8.288) 8.535 10.456 ( 0.000 1.979 -7.860) 8.106 10.563 ( 0.000 -11.448 -6.586) 13.207 10.803 ( 0.000 -4.450 -8.251) 9.374 11.258 ( 0.000 3.630 1.330) 3.865 11.263 ( 0.000 -7.668 -3.141) 8.286 11.273 ( -0.000 0.976 5.773) 5.855 11.646 ( 0.000 4.851 -4.052) 6.321 11.766 ( 0.000 -0.040 -7.116) 7.117 12.073 ( 0.000 4.772 -10.011) 11.090 12.573 ( 0.000 1.499 17.028) 17.094 12.942 ( 0.000 1.603 -1.463) 2.170 16.864 ( 0.000 -4.237 13.065) 13.735 16.865 ( -0.000 -3.830 12.710) 13.274 17.149 ( 0.000 -2.378 12.878) 13.096 17.587 ( 0.000 -3.608 -12.380) 12.895 17.619 ( 0.000 -5.600 -15.900) 16.857 18.037 ( 0.000 0.398 -17.850) 17.855 18.196 ( 0.000 -3.226 11.145) 11.603 18.490 ( 0.000 -4.697 -2.166) 5.172 18.674 ( 0.000 8.137 8.575) 11.822 18.894 ( 0.000 1.122 -4.982) 5.106 18.979 ( 0.000 2.556 4.420) 5.106 19.079 ( 0.000 0.558 -2.379) 2.443 ======================= Grid point 172 (57/65) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.683 -17.734 1.900) 17.915 2.761 ( -17.950 -9.073 9.643) 22.305 2.833 ( -18.182 -9.427 6.070) 21.362 2.897 ( -0.721 -20.419 -8.091) 21.975 3.255 ( 11.519 -5.072 7.836) 14.826 3.385 ( 11.075 -1.268 -2.389) 11.401 3.529 ( -2.184 5.014 9.371) 10.851 3.631 ( 5.584 2.779 10.066) 11.842 3.776 ( -1.674 0.484 3.810) 4.190 3.910 ( -6.160 4.821 5.196) 9.391 4.020 ( -3.041 -2.199 -2.528) 4.525 4.119 ( 1.090 -1.455 -4.088) 4.474 4.220 ( 3.443 6.680 -1.414) 7.647 4.246 ( 1.399 0.074 -7.665) 7.792 4.324 ( -0.718 5.272 0.418) 5.337 4.458 ( -9.505 -2.338 3.647) 10.445 4.561 ( 1.944 -1.312 -19.562) 19.702 4.732 ( -1.186 -1.020 -16.372) 16.447 5.036 ( -0.056 2.365 3.687) 4.381 5.061 ( 1.475 2.495 0.457) 2.934 5.214 ( 4.445 5.709 7.304) 10.281 5.417 ( 5.630 11.146 -7.007) 14.319 5.589 ( 2.500 2.928 6.270) 7.358 5.641 ( -1.148 -0.254 9.911) 9.981 5.795 ( -0.085 -0.088 -5.053) 5.054 5.820 ( 0.622 4.844 -7.700) 9.118 5.932 ( 6.303 -5.334 9.228) 12.383 6.276 ( -1.900 -0.856 -11.215) 11.407 6.496 ( 0.851 5.956 9.881) 11.569 6.746 ( 0.318 4.644 -12.457) 13.298 7.831 ( 1.998 1.305 11.474) 11.720 7.998 ( 0.009 6.419 9.732) 11.658 8.174 ( -0.869 3.061 -15.574) 15.895 8.248 ( 3.983 4.248 -15.231) 16.306 8.635 ( 0.906 -9.074 7.540) 11.832 8.863 ( -6.342 -4.629 -5.917) 9.831 9.483 ( 2.405 0.074 17.182) 17.350 9.561 ( 1.441 1.153 21.480) 21.559 9.676 ( -0.229 0.596 13.693) 13.707 9.899 ( -0.404 6.673 -5.482) 8.646 10.030 ( 0.901 6.799 -11.836) 13.680 10.191 ( 0.519 -2.528 -15.152) 15.370 10.258 ( -1.810 -6.630 15.393) 16.858 10.407 ( -1.844 2.289 0.155) 2.944 10.412 ( 1.932 -7.678 -6.715) 10.382 10.653 ( -0.535 -3.740 -12.714) 13.263 11.152 ( 0.449 -6.969 -3.860) 7.979 11.193 ( -8.739 -0.242 1.318) 8.841 11.423 ( 6.938 0.345 3.667) 7.855 11.597 ( -4.166 4.229 -3.987) 7.151 11.792 ( 4.688 1.383 3.659) 6.106 12.009 ( -0.347 6.353 -8.848) 10.898 12.755 ( -0.279 2.070 13.080) 13.246 12.930 ( 2.078 0.686 -4.941) 5.404 16.969 ( -0.928 -5.761 13.022) 14.270 16.978 ( -1.293 -5.542 15.074) 16.112 17.202 ( -8.037 -4.121 6.050) 10.871 17.364 ( -2.924 -5.167 -16.796) 17.815 17.482 ( 7.682 -4.275 -6.537) 10.955 17.802 ( -6.668 1.474 -16.002) 17.398 18.283 ( 0.379 -2.308 7.969) 8.305 18.430 ( -0.307 -2.185 -4.165) 4.713 18.806 ( -1.781 5.528 6.701) 8.868 18.855 ( 2.536 -1.531 -3.789) 4.810 19.049 ( -0.901 4.480 3.437) 5.718 19.074 ( 3.566 0.843 -2.961) 4.711 ======================= Grid point 173 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 5.176 -19.790 -6.430) 21.442 2.515 ( -19.726 -5.412 6.430) 21.442 2.646 ( 6.064 -22.191 -14.352) 27.114 2.646 ( -22.250 -5.844 14.352) 27.114 3.429 ( 0.221 3.031 -6.585) 7.253 3.429 ( 2.514 1.707 6.585) 7.253 3.643 ( 0.837 0.681 -8.806) 8.872 3.643 ( 0.171 1.066 8.806) 8.872 3.830 ( -1.602 -2.574 -11.562) 11.953 3.830 ( -1.428 -2.674 11.562) 11.953 4.060 ( 1.474 0.441 -11.159) 11.265 4.060 ( -0.355 1.497 11.159) 11.265 4.251 ( -0.046 2.056 -5.045) 5.448 4.251 ( 1.803 0.988 5.045) 5.448 4.356 ( 5.925 -5.723 -6.829) 10.700 4.356 ( -7.919 2.270 6.829) 10.700 4.551 ( 0.576 2.351 -11.538) 11.789 4.551 ( 1.748 1.674 11.538) 11.789 5.072 ( 0.849 -0.925 -3.105) 3.349 5.072 ( -1.226 0.273 3.105) 3.349 5.453 ( 2.339 10.634 -10.314) 14.998 5.453 ( 8.040 7.343 10.314) 14.998 5.697 ( 3.508 -2.195 -6.335) 7.567 5.697 ( -3.655 1.941 6.335) 7.567 5.804 ( 0.400 7.590 -5.010) 9.103 5.804 ( 6.373 4.142 5.010) 9.103 6.105 ( -3.082 1.844 -13.113) 13.596 6.105 ( 3.138 -1.747 13.113) 13.596 6.646 ( -0.178 1.702 -9.784) 9.932 6.646 ( 1.563 0.697 9.784) 9.932 8.026 ( 0.231 3.674 -14.211) 14.680 8.026 ( 3.067 2.037 14.211) 14.680 8.182 ( 5.501 3.427 -13.168) 14.677 8.182 ( 0.218 6.478 13.168) 14.677 8.668 ( -8.422 -1.722 -6.017) 10.492 8.668 ( 2.720 -8.154 6.017) 10.492 9.654 ( -2.664 -0.800 -9.479) 9.879 9.654 ( 0.639 -2.707 9.479) 9.879 9.861 ( -0.736 2.628 -22.251) 22.417 9.861 ( 2.644 0.676 22.251) 22.417 9.999 ( 0.433 0.093 -13.147) 13.154 9.999 ( -0.136 0.421 13.147) 13.154 10.321 ( -2.309 -3.401 -6.100) 7.356 10.321 ( -1.791 -3.701 6.100) 7.356 10.489 ( 0.414 2.723 -8.526) 8.960 10.489 ( 2.151 1.720 8.526) 8.960 11.092 ( 2.127 -6.586 -3.402) 7.711 11.092 ( -6.767 -1.451 3.402) 7.711 11.534 ( -3.082 3.157 -3.247) 5.478 11.534 ( 4.275 -1.091 3.247) 5.478 11.949 ( -2.287 6.597 -7.782) 10.455 11.949 ( 6.857 1.317 7.782) 10.455 12.887 ( 2.918 -0.107 -9.333) 9.779 12.887 ( -1.552 2.474 9.333) 9.779 17.030 ( -5.494 -4.869 -6.067) 9.523 17.030 ( -1.470 -7.192 6.067) 9.523 17.097 ( -2.818 -5.379 -14.327) 15.561 17.097 ( -3.250 -5.130 14.327) 15.561 17.568 ( -8.770 3.072 -7.874) 12.180 17.568 ( 7.046 -6.059 7.874) 12.180 18.354 ( 0.576 -1.055 -6.511) 6.621 18.354 ( -1.202 -0.028 6.511) 6.621 18.854 ( 4.210 -1.447 -3.013) 5.375 18.854 ( -3.358 2.922 3.013) 5.375 19.105 ( 5.632 0.404 -3.793) 6.802 19.105 ( -2.466 5.080 3.793) 6.803 ======================= Grid point 181 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.000 -22.124 -5.533) 22.806 2.556 ( 0.000 -25.306 -12.859) 28.385 2.917 ( -0.000 -5.598 -1.508) 5.798 3.094 ( -0.000 -6.439 6.010) 8.808 3.210 ( -0.000 -3.079 17.319) 17.591 3.266 ( -0.000 0.183 2.414) 2.421 3.670 ( -0.000 -0.885 7.000) 7.055 3.674 ( 0.000 5.339 -2.737) 6.000 3.897 ( -0.000 -1.002 9.287) 9.341 3.911 ( 0.000 -1.005 -13.689) 13.726 3.956 ( 0.000 3.271 -2.928) 4.390 4.133 ( 0.000 -11.344 -17.965) 21.247 4.179 ( 0.000 1.532 -6.172) 6.359 4.202 ( -0.000 1.614 12.099) 12.206 4.246 ( 0.000 2.569 -3.635) 4.451 4.427 ( -0.000 5.712 9.142) 10.780 4.566 ( 0.000 4.039 -15.648) 16.161 4.650 ( -0.000 1.261 9.411) 9.495 5.055 ( 0.000 0.681 -1.911) 2.028 5.089 ( -0.000 1.494 2.145) 2.614 5.282 ( -0.000 4.218 2.161) 4.739 5.414 ( 0.000 11.473 -0.870) 11.506 5.634 ( -0.000 -3.840 1.687) 4.194 5.729 ( 0.000 4.051 -1.680) 4.386 5.769 ( -0.000 2.281 5.431) 5.890 5.795 ( 0.000 9.857 -2.089) 10.076 6.008 ( -0.000 -4.290 11.708) 12.469 6.206 ( 0.000 1.795 -2.964) 3.465 6.613 ( 0.000 1.976 -0.830) 2.144 6.643 ( 0.000 4.927 -3.868) 6.264 7.976 ( -0.000 1.850 12.910) 13.042 8.052 ( 0.000 2.260 -11.817) 12.031 8.079 ( 0.000 6.328 -13.688) 15.079 8.184 ( -0.000 7.699 12.432) 14.623 8.628 ( -0.000 -11.545 6.396) 13.199 8.802 ( 0.000 -2.432 -7.039) 7.448 9.661 ( -0.000 1.203 10.763) 10.830 9.736 ( -0.000 -0.193 8.190) 8.192 9.745 ( 0.000 5.541 -1.855) 5.843 9.865 ( 0.000 0.614 -21.457) 21.465 9.995 ( 0.000 0.167 -12.566) 12.567 10.005 ( -0.000 0.437 18.069) 18.074 10.258 ( 0.000 -5.592 -4.508) 7.183 10.396 ( -0.000 -6.774 4.343) 8.047 10.485 ( -0.000 3.283 4.988) 5.971 10.515 ( 0.000 -1.382 -0.614) 1.513 11.041 ( 0.000 -5.835 -4.636) 7.453 11.298 ( -0.000 -0.913 -0.327) 0.970 11.370 ( -0.000 -1.688 3.769) 4.129 11.600 ( 0.000 3.292 -5.661) 6.548 11.843 ( -0.000 0.735 9.208) 9.238 11.976 ( 0.000 7.989 -7.589) 11.019 12.847 ( 0.000 -0.157 -8.085) 8.086 12.907 ( -0.000 3.519 9.775) 10.390 17.026 ( -0.000 -8.395 3.872) 9.245 17.072 ( -0.000 -9.861 1.836) 10.031 17.184 ( 0.000 -2.040 -1.666) 2.633 17.188 ( 0.000 -3.587 -15.066) 15.487 17.439 ( -0.000 -7.015 15.759) 17.249 17.723 ( 0.000 4.926 -9.545) 10.742 18.290 ( -0.000 -4.414 -0.301) 4.425 18.420 ( -0.000 0.404 1.903) 1.945 18.769 ( 0.000 -1.299 -5.078) 5.242 18.924 ( -0.000 3.419 4.805) 5.897 19.000 ( 0.000 -0.817 -4.361) 4.437 19.144 ( -0.000 6.195 3.739) 7.236 ======================= Grid point 228 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -0.000 0.000 19.388) 19.388 2.864 ( -0.000 0.000 19.388) 19.388 2.956 ( -0.000 0.000 16.757) 16.757 3.191 ( -0.000 0.000 4.838) 4.838 3.191 ( -0.000 0.000 4.838) 4.838 3.226 ( -0.000 0.000 0.548) 0.548 3.625 ( 0.000 -0.000 -12.041) 12.041 3.640 ( -0.000 0.000 2.649) 2.649 3.640 ( 0.000 0.000 2.649) 2.649 3.692 ( 0.000 0.000 -2.119) 2.119 3.692 ( 0.000 0.000 -2.119) 2.119 4.141 ( 0.000 -0.000 -7.029) 7.029 4.141 ( 0.000 -0.000 -7.029) 7.029 4.554 ( 0.000 -0.000 -6.931) 6.931 4.554 ( 0.000 -0.000 -6.931) 6.931 4.574 ( -0.000 0.000 12.554) 12.554 4.807 ( -0.000 0.000 1.753) 1.753 4.812 ( -0.000 0.000 9.361) 9.361 4.839 ( 0.000 -0.000 -4.303) 4.303 4.839 ( 0.000 0.000 -4.303) 4.303 5.228 ( 0.000 0.000 -7.229) 7.229 5.228 ( 0.000 0.000 -7.229) 7.229 5.355 ( -0.000 0.000 0.301) 0.301 5.640 ( 0.000 -0.000 -3.569) 3.569 5.845 ( -0.000 0.000 9.565) 9.565 5.845 ( -0.000 0.000 9.565) 9.565 5.951 ( 0.000 -0.000 -12.592) 12.592 6.112 ( 0.000 -0.000 -5.162) 5.162 6.725 ( 0.000 -0.000 -8.171) 8.171 6.725 ( 0.000 0.000 -8.171) 8.171 7.742 ( 0.000 -0.000 -1.385) 1.385 7.742 ( 0.000 0.000 -1.385) 1.385 8.513 ( 0.000 -0.000 -17.950) 17.950 8.513 ( 0.000 -0.000 -17.950) 17.950 8.593 ( -0.000 0.000 12.139) 12.139 9.066 ( -0.000 0.000 15.364) 15.364 9.066 ( -0.000 0.000 15.364) 15.364 9.195 ( 0.000 -0.000 -3.145) 3.145 9.218 ( -0.000 0.000 14.134) 14.134 9.778 ( -0.000 0.000 8.380) 8.380 9.778 ( -0.000 0.000 8.380) 8.380 10.398 ( 0.000 -0.000 -8.576) 8.576 10.398 ( 0.000 -0.000 -8.576) 8.576 10.501 ( 0.000 -0.000 -4.648) 4.648 10.916 ( 0.000 -0.000 -6.791) 6.791 10.916 ( 0.000 0.000 -6.791) 6.791 11.122 ( -0.000 0.000 8.719) 8.719 11.122 ( -0.000 0.000 8.719) 8.719 11.532 ( 0.000 -0.000 -2.393) 2.393 11.532 ( 0.000 0.000 -2.393) 2.393 11.907 ( 0.000 -0.000 -15.845) 15.845 12.135 ( 0.000 -0.000 -13.334) 13.334 12.342 ( -0.000 0.000 18.808) 18.808 12.896 ( -0.000 0.000 1.878) 1.878 16.790 ( -0.000 0.000 10.789) 10.789 16.790 ( -0.000 0.000 10.789) 10.789 17.050 ( -0.000 0.000 10.697) 10.697 17.799 ( 0.000 -0.000 -7.541) 7.541 17.799 ( 0.000 -0.000 -7.541) 7.541 18.261 ( 0.000 -0.000 -18.073) 18.073 18.280 ( -0.000 -0.000 9.666) 9.666 18.280 ( -0.000 0.000 9.666) 9.666 18.714 ( -0.000 0.000 -1.066) 1.066 18.714 ( 0.000 0.000 -1.066) 1.066 18.990 ( 0.000 -0.000 -0.454) 0.454 19.080 ( 0.000 -0.000 -0.967) 0.967 ======================= Grid point 229 (61/65) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -16.998 -9.814 17.278) 26.149 2.940 ( -6.625 -3.825 13.711) 15.701 3.065 ( -16.490 -9.520 1.603) 19.108 3.252 ( 4.309 2.488 13.320) 14.219 3.314 ( 4.639 2.678 0.902) 5.432 3.349 ( 6.512 3.760 11.679) 13.891 3.492 ( -2.416 -1.395 -7.500) 8.002 3.545 ( -3.655 -2.110 5.858) 7.220 3.583 ( -3.643 -2.103 4.058) 5.845 3.788 ( 5.430 3.135 -0.032) 6.270 3.858 ( 10.720 6.189 0.605) 12.393 4.070 ( -1.053 -0.608 -4.384) 4.550 4.118 ( 4.410 2.546 -4.154) 6.571 4.375 ( -5.799 -3.348 -9.723) 11.805 4.450 ( 0.220 0.127 -12.509) 12.511 4.620 ( -14.140 -8.164 2.626) 16.538 4.651 ( 6.490 3.747 -14.421) 16.252 4.844 ( 2.175 1.256 7.551) 7.957 4.924 ( 1.119 0.646 3.888) 4.097 4.989 ( 6.905 3.987 1.655) 8.143 5.056 ( -2.483 -1.434 -9.142) 9.581 5.255 ( 7.897 4.559 -7.704) 11.937 5.407 ( 3.670 2.119 3.655) 5.597 5.605 ( -1.397 -0.807 1.230) 2.028 5.828 ( 0.981 0.567 -10.468) 10.529 5.860 ( -4.854 -2.802 8.418) 10.113 6.065 ( 1.661 0.959 -4.228) 4.643 6.095 ( 7.208 4.161 12.958) 15.401 6.512 ( -4.604 -2.658 -12.485) 13.569 6.720 ( 5.615 3.242 -10.720) 12.528 7.737 ( -0.135 -0.078 5.059) 5.061 7.793 ( 2.158 1.246 3.478) 4.279 8.308 ( 0.249 0.144 -17.731) 17.734 8.340 ( 2.707 1.563 -16.934) 17.220 8.702 ( -2.914 -1.682 11.519) 12.001 9.084 ( -6.687 -3.861 -3.993) 8.693 9.263 ( 1.461 0.843 19.942) 20.013 9.281 ( 3.465 2.000 13.490) 14.071 9.436 ( 1.285 0.742 20.509) 20.563 9.832 ( 1.541 0.890 -0.089) 1.782 9.885 ( 2.770 1.600 2.426) 4.015 10.303 ( -2.595 -1.498 1.081) 3.185 10.358 ( 1.154 0.666 -4.129) 4.339 10.419 ( 0.090 0.052 -10.602) 10.602 10.736 ( -5.995 -3.461 -8.556) 11.006 10.850 ( 0.523 0.302 -10.626) 10.643 11.148 ( -5.122 -2.957 6.650) 8.899 11.295 ( 5.215 3.011 8.506) 10.422 11.420 ( -4.111 -2.374 -3.305) 5.784 11.537 ( 0.381 0.220 -5.510) 5.528 11.768 ( 1.906 1.100 -8.269) 8.557 12.007 ( 2.129 1.229 -12.348) 12.590 12.554 ( 0.607 0.351 16.679) 16.693 12.921 ( 1.935 1.117 -0.800) 2.373 16.911 ( -2.165 -1.250 14.395) 14.610 16.919 ( -1.656 -0.956 13.709) 13.841 17.168 ( -3.253 -1.878 13.741) 14.245 17.663 ( -2.209 -1.276 -15.604) 15.811 17.665 ( 0.466 0.269 -11.896) 11.908 18.026 ( -2.931 -1.692 -19.079) 19.377 18.278 ( -5.839 -3.371 11.526) 13.353 18.521 ( 6.072 3.505 9.526) 11.827 18.587 ( -4.896 -2.827 -2.909) 6.358 18.820 ( 6.927 3.999 -2.171) 8.288 18.979 ( -1.279 -0.738 0.850) 1.704 19.076 ( 1.477 0.853 -1.895) 2.550 ======================= Grid point 230 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -20.700 -11.951 2.631) 24.047 2.764 ( -20.286 -11.712 16.215) 28.489 2.958 ( -6.411 -3.701 8.670) 11.400 3.270 ( -3.243 -1.872 -6.522) 7.521 3.313 ( -2.829 -1.633 -5.187) 6.130 3.356 ( 2.092 1.208 -6.394) 6.835 3.585 ( -0.510 -0.295 6.282) 6.310 3.682 ( -0.767 -0.443 14.235) 14.263 3.688 ( 5.014 2.895 15.410) 16.461 3.861 ( 6.318 3.648 -3.585) 8.129 4.011 ( -3.277 -1.892 -1.051) 3.927 4.037 ( 5.834 3.369 5.514) 8.706 4.139 ( 0.248 0.143 -3.148) 3.161 4.208 ( 0.288 0.167 -4.662) 4.674 4.320 ( 0.749 0.433 -11.695) 11.727 4.468 ( -10.259 -5.923 11.482) 16.497 4.518 ( 5.720 3.302 -22.842) 23.778 4.811 ( -4.344 -2.508 -10.815) 11.921 4.990 ( 3.453 1.993 4.655) 6.129 5.056 ( 3.481 2.010 -0.154) 4.023 5.129 ( 6.490 3.747 5.605) 9.358 5.318 ( 8.920 5.150 -8.123) 13.118 5.562 ( 7.177 4.144 6.623) 10.609 5.633 ( -1.616 -0.933 7.414) 7.645 5.740 ( 1.549 0.894 -9.478) 9.646 5.844 ( -0.869 -0.502 -2.340) 2.546 6.080 ( -0.579 -0.334 3.518) 3.581 6.292 ( -2.094 -1.209 -15.238) 15.429 6.372 ( 6.695 3.865 14.171) 16.143 6.685 ( 4.245 2.451 -10.655) 11.728 7.853 ( 2.753 1.590 11.123) 11.568 7.898 ( 2.143 1.237 8.464) 8.818 8.128 ( 1.242 0.717 -16.449) 16.512 8.231 ( 5.251 3.032 -14.777) 15.973 8.761 ( -3.551 -2.050 9.464) 10.314 8.876 ( -9.848 -5.685 -6.113) 12.910 9.504 ( 4.789 2.765 13.100) 14.219 9.550 ( 3.107 1.794 22.767) 23.048 9.682 ( -0.284 -0.164 19.539) 19.542 9.802 ( 3.228 1.864 -11.985) 12.551 9.926 ( 3.470 2.003 -3.987) 5.652 10.231 ( -0.624 -0.360 -17.100) 17.115 10.325 ( -3.214 -1.856 -0.057) 3.712 10.362 ( -3.089 -1.784 11.565) 12.103 10.552 ( -3.059 -1.766 -7.695) 8.467 10.694 ( -1.724 -0.995 -15.383) 15.511 11.101 ( -7.169 -4.139 4.937) 9.639 11.333 ( -2.025 -1.169 -2.291) 3.273 11.448 ( -2.081 -1.202 -3.808) 4.503 11.470 ( 4.620 2.667 5.309) 7.526 11.805 ( 5.090 2.939 2.721) 6.477 11.923 ( 2.608 1.505 -10.628) 11.046 12.728 ( 0.621 0.358 12.176) 12.197 12.935 ( 2.998 1.731 -4.812) 5.928 17.034 ( -3.877 -2.238 16.359) 16.961 17.034 ( -3.932 -2.270 15.285) 15.945 17.195 ( -7.458 -4.306 6.074) 10.538 17.409 ( -5.007 -2.891 -17.162) 18.110 17.605 ( 4.499 2.598 -3.962) 6.534 17.738 ( -5.570 -3.216 -18.344) 19.439 18.309 ( -4.118 -2.378 8.140) 9.427 18.479 ( -2.158 -1.246 -5.114) 5.689 18.691 ( 2.183 1.260 7.609) 8.015 18.897 ( 5.396 3.115 -3.473) 7.133 18.976 ( -1.321 -0.763 2.919) 3.293 19.095 ( 3.911 2.258 -2.759) 5.292 ======================= Grid point 237 (63/65) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 0.000 -14.477 9.216) 17.161 3.162 ( -0.000 -10.460 0.999) 10.508 3.173 ( -0.000 -2.477 6.424) 6.885 3.210 ( 0.000 -7.897 3.365) 8.584 3.314 ( -0.000 -0.556 -4.326) 4.362 3.371 ( 0.000 -7.384 -5.071) 8.958 3.482 ( 0.000 -2.246 17.660) 17.802 3.595 ( 0.000 -7.838 12.117) 14.431 3.720 ( 0.000 3.977 13.605) 14.175 3.818 ( -0.000 8.709 1.463) 8.831 3.882 ( 0.000 13.204 -0.813) 13.229 4.062 ( -0.000 1.374 -0.738) 1.559 4.096 ( 0.000 3.676 2.305) 4.339 4.258 ( 0.000 -1.824 -14.477) 14.592 4.287 ( 0.000 -1.181 -9.799) 9.870 4.403 ( 0.000 7.676 -27.395) 28.450 4.702 ( 0.000 -10.708 7.689) 13.183 4.913 ( 0.000 -8.316 -10.337) 13.267 4.949 ( -0.000 3.074 4.350) 5.326 4.968 ( 0.000 3.333 2.281) 4.039 5.024 ( 0.000 8.813 4.271) 9.793 5.156 ( 0.000 7.844 -7.555) 10.891 5.460 ( 0.000 4.684 5.719) 7.392 5.610 ( 0.000 3.327 -3.386) 4.747 5.763 ( 0.000 -1.909 0.728) 2.044 5.915 ( -0.000 -3.920 -7.866) 8.788 6.016 ( 0.000 -7.196 14.809) 16.465 6.283 ( 0.000 10.896 13.036) 16.990 6.364 ( 0.000 -5.345 -13.232) 14.271 6.585 ( 0.000 7.946 -14.011) 16.107 7.811 ( 0.000 -0.689 9.889) 9.912 7.874 ( 0.000 4.083 8.581) 9.503 8.128 ( 0.000 1.951 -16.419) 16.535 8.140 ( 0.000 1.741 -15.545) 15.642 8.820 ( 0.000 -5.762 10.479) 11.959 9.031 ( 0.000 -4.810 -7.189) 8.649 9.439 ( 0.000 1.174 15.937) 15.980 9.483 ( 0.000 3.562 18.729) 19.065 9.681 ( 0.000 -1.300 18.022) 18.069 9.777 ( 0.000 2.909 -3.564) 4.600 9.850 ( 0.000 6.562 -10.686) 12.539 10.236 ( 0.000 -1.121 -18.384) 18.419 10.384 ( 0.000 -2.688 12.521) 12.806 10.392 ( -0.000 -0.286 6.135) 6.142 10.610 ( 0.000 -7.402 -11.061) 13.309 10.714 ( 0.000 -0.247 -13.245) 13.247 11.270 ( 0.000 -0.902 5.048) 5.128 11.339 ( 0.000 0.667 7.041) 7.073 11.343 ( -0.000 -7.974 -4.394) 9.104 11.519 ( 0.000 5.035 -5.132) 7.189 11.714 ( 0.000 2.120 0.828) 2.276 11.880 ( 0.000 4.195 -10.842) 11.625 12.718 ( 0.000 1.009 12.225) 12.267 12.892 ( 0.000 1.112 -3.845) 4.002 17.083 ( 0.000 -3.087 16.082) 16.376 17.087 ( 0.000 -2.757 16.392) 16.622 17.347 ( 0.000 -3.106 13.113) 13.476 17.473 ( 0.000 -2.644 -16.307) 16.520 17.502 ( 0.000 -1.177 -12.850) 12.904 17.820 ( 0.000 0.206 -19.703) 19.704 18.389 ( 0.000 -6.927 9.179) 11.500 18.543 ( 0.000 -6.849 -4.204) 8.037 18.641 ( 0.000 8.904 8.439) 12.268 18.775 ( 0.000 6.681 -4.758) 8.202 19.000 ( 0.000 0.136 2.075) 2.080 19.045 ( 0.000 0.243 -2.363) 2.375 ======================= Grid point 239 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -3.564 -16.836 -0.516) 17.217 2.937 ( -12.799 -11.505 0.516) 17.217 3.082 ( 1.141 -18.004 -10.867) 21.060 3.082 ( -16.162 -8.014 10.867) 21.060 3.342 ( 1.196 2.429 -4.475) 5.230 3.342 ( 1.505 2.250 4.475) 5.230 3.628 ( -1.656 -0.424 -9.743) 9.891 3.628 ( 0.461 -1.646 9.743) 9.891 3.857 ( -2.500 5.111 -8.973) 10.624 3.857 ( 5.676 0.391 8.973) 10.624 4.036 ( -2.386 3.645 -4.488) 6.255 4.036 ( 4.349 -0.244 4.488) 6.255 4.157 ( 1.683 2.962 -6.345) 7.202 4.157 ( 1.724 2.938 6.345) 7.202 4.266 ( 6.765 3.620 -8.068) 11.134 4.266 ( -0.247 7.669 8.068) 11.134 4.682 ( -2.373 -10.074 -12.147) 15.958 4.682 ( -7.538 -7.092 12.147) 15.958 5.019 ( 2.724 2.617 -1.574) 4.093 5.019 ( 0.905 3.668 1.574) 4.093 5.182 ( 5.713 7.787 -7.071) 11.970 5.182 ( 3.887 8.841 7.071) 11.970 5.603 ( 2.751 6.236 -7.547) 10.169 5.603 ( 4.025 5.500 7.547) 10.169 5.778 ( -1.202 -4.173 -7.828) 8.951 5.778 ( -3.013 -3.127 7.828) 8.951 6.151 ( -4.794 -1.262 -13.663) 14.534 6.151 ( 1.304 -4.783 13.663) 14.534 6.520 ( 5.075 5.953 -13.152) 15.303 6.520 ( 2.618 7.371 13.152) 15.303 7.961 ( -0.652 2.146 -14.066) 14.244 7.961 ( 2.184 0.508 14.066) 14.244 8.033 ( 4.258 3.020 -12.747) 13.774 8.033 ( 0.486 5.197 12.747) 13.774 8.861 ( -6.030 -5.268 -8.396) 11.602 8.861 ( -1.547 -7.856 8.396) 11.602 9.629 ( 1.034 2.012 -12.847) 13.045 9.629 ( 1.226 1.902 12.847) 13.045 9.748 ( 1.064 5.977 -15.817) 16.942 9.748 ( 4.644 3.910 15.817) 16.942 9.991 ( 0.328 0.156 -22.235) 22.238 9.991 ( -0.029 0.363 22.235) 22.238 10.435 ( 0.223 -6.035 -9.013) 10.849 10.435 ( -5.338 -2.824 9.013) 10.849 10.532 ( -1.882 -1.764 -15.378) 15.593 10.532 ( -0.586 -2.512 15.378) 15.593 11.235 ( 1.992 -8.244 -4.075) 9.410 11.235 ( -8.136 -2.397 4.075) 9.410 11.473 ( -3.468 5.508 -4.845) 8.114 11.473 ( 6.504 -0.249 4.845) 8.114 11.820 ( 0.684 5.320 -7.710) 9.393 11.820 ( 4.265 3.253 7.710) 9.393 12.844 ( 1.430 1.018 -8.097) 8.285 12.844 ( 0.166 1.747 8.097) 8.285 17.208 ( -5.375 -3.939 -9.053) 11.240 17.208 ( -0.724 -6.624 9.053) 11.240 17.243 ( -2.865 -3.365 -13.337) 14.050 17.243 ( -1.482 -4.164 13.337) 14.050 17.598 ( -4.411 2.217 -14.868) 15.666 17.598 ( 4.126 -2.712 14.868) 15.666 18.417 ( -2.225 -4.177 -6.673) 8.181 18.417 ( -2.505 -4.015 6.673) 8.181 18.789 ( 5.275 3.010 -6.207) 8.684 18.789 ( -0.030 6.073 6.207) 8.684 19.031 ( 2.385 0.352 -2.955) 3.813 19.031 ( -0.888 2.241 2.955) 3.813 ======================= Grid point 316 (65/65) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 0.000 -3.317 -5.438) 6.369 3.248 ( 0.000 3.317 -5.438) 6.369 3.248 ( -0.000 -3.317 5.438) 6.369 3.248 ( -0.000 3.317 5.438) 6.369 3.319 ( 0.000 0.000 -5.396) 5.396 3.319 ( -0.000 0.000 5.396) 5.396 3.723 ( 0.000 -2.571 -1.642) 3.050 3.723 ( 0.000 -2.571 1.642) 3.050 3.723 ( 0.000 2.571 -1.642) 3.050 3.723 ( 0.000 2.571 1.642) 3.050 3.963 ( 0.000 0.000 -34.759) 34.759 3.963 ( -0.000 0.000 34.759) 34.759 4.140 ( 0.000 -1.767 -11.050) 11.190 4.140 ( 0.000 1.767 -11.050) 11.190 4.140 ( -0.000 -1.767 11.050) 11.190 4.140 ( -0.000 1.767 11.050) 11.190 4.946 ( 0.000 -8.110 -7.558) 11.086 4.946 ( 0.000 8.110 -7.558) 11.086 4.946 ( 0.000 -8.110 7.558) 11.086 4.946 ( 0.000 8.110 7.558) 11.086 4.954 ( 0.000 0.000 -1.718) 1.718 4.954 ( -0.000 0.000 1.718) 1.718 5.497 ( 0.000 0.000 -7.631) 7.631 5.497 ( -0.000 0.000 7.631) 7.631 5.853 ( 0.000 0.000 -8.320) 8.320 5.853 ( -0.000 0.000 8.320) 8.320 6.300 ( 0.000 -7.069 -15.049) 16.626 6.300 ( 0.000 7.069 -15.049) 16.626 6.300 ( -0.000 -7.069 15.049) 16.626 6.300 ( -0.000 7.069 15.049) 16.626 7.955 ( 0.000 -1.115 -13.096) 13.143 7.955 ( 0.000 1.115 -13.096) 13.143 7.955 ( -0.000 -1.115 13.096) 13.143 7.955 ( -0.000 1.115 13.096) 13.143 8.978 ( 0.000 0.000 -9.256) 9.256 8.978 ( -0.000 0.000 9.256) 9.256 9.624 ( 0.000 -2.448 -15.446) 15.639 9.624 ( 0.000 2.448 -15.446) 15.639 9.624 ( -0.000 -2.448 15.446) 15.639 9.624 ( -0.000 2.448 15.446) 15.639 9.987 ( 0.000 0.000 -25.152) 25.152 9.987 ( -0.000 0.000 25.152) 25.152 10.540 ( 0.000 -1.900 -13.572) 13.705 10.540 ( 0.000 1.900 -13.572) 13.705 10.540 ( -0.000 -1.900 13.572) 13.705 10.540 ( -0.000 1.900 13.572) 13.705 11.382 ( 0.000 -3.945 -6.251) 7.392 11.382 ( 0.000 3.945 -6.251) 7.392 11.382 ( -0.000 -3.945 6.251) 7.392 11.382 ( -0.000 3.945 6.251) 7.392 11.738 ( 0.000 0.000 -7.416) 7.416 11.738 ( -0.000 0.000 7.416) 7.416 12.821 ( 0.000 0.000 -7.514) 7.514 12.821 ( -0.000 0.000 7.514) 7.514 17.301 ( 0.000 -0.039 -17.597) 17.597 17.301 ( 0.000 0.039 -17.597) 17.597 17.301 ( -0.000 -0.039 17.597) 17.597 17.301 ( -0.000 0.039 17.597) 17.597 17.593 ( 0.000 0.000 -19.851) 19.851 17.593 ( -0.000 0.000 19.851) 19.851 18.596 ( -0.000 -7.392 -6.647) 9.941 18.596 ( 0.000 7.392 -6.647) 9.941 18.596 ( -0.000 -7.392 6.647) 9.941 18.596 ( 0.000 7.392 6.647) 9.941 19.020 ( 0.000 0.000 -1.905) 1.905 19.020 ( -0.000 0.000 1.905) 1.905 =================== 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 3/33792 10.0 2461.067 2461.067 4281.569 0.000 -0.000 0.000 3/33792 20.0 617.554 617.554 1116.369 0.000 -0.000 0.000 3/33792 30.0 192.998 192.998 319.842 0.000 -0.000 0.000 3/33792 40.0 88.948 88.948 141.411 0.000 -0.000 0.000 3/33792 50.0 52.161 52.161 81.707 0.000 -0.000 0.000 3/33792 60.0 35.155 35.155 54.892 0.000 -0.000 0.000 3/33792 70.0 25.808 25.808 40.335 0.000 -0.000 0.000 3/33792 80.0 20.064 20.064 31.431 0.000 -0.000 0.000 3/33792 90.0 16.254 16.254 25.538 0.000 -0.000 0.000 3/33792 100.0 13.582 13.582 21.415 0.000 -0.000 0.000 3/33792 110.0 11.626 11.626 18.404 0.000 -0.000 0.000 3/33792 120.0 10.145 10.145 16.128 0.000 -0.000 0.000 3/33792 130.0 8.992 8.992 14.359 0.000 -0.000 0.000 3/33792 140.0 8.072 8.072 12.951 0.000 -0.000 0.000 3/33792 150.0 7.323 7.323 11.807 0.000 -0.000 0.000 3/33792 160.0 6.704 6.704 10.860 0.000 -0.000 0.000 3/33792 170.0 6.183 6.183 10.064 0.000 -0.000 0.000 3/33792 180.0 5.740 5.740 9.387 0.000 -0.000 0.000 3/33792 190.0 5.358 5.358 8.803 0.000 -0.000 0.000 3/33792 200.0 5.026 5.026 8.294 0.000 -0.000 0.000 3/33792 210.0 4.735 4.735 7.846 0.000 -0.000 0.000 3/33792 220.0 4.477 4.477 7.448 0.000 -0.000 0.000 3/33792 230.0 4.247 4.247 7.093 0.000 -0.000 0.000 3/33792 240.0 4.040 4.040 6.773 0.000 -0.000 0.000 3/33792 250.0 3.854 3.854 6.483 0.000 -0.000 0.000 3/33792 260.0 3.685 3.685 6.219 0.000 -0.000 0.000 3/33792 270.0 3.531 3.531 5.977 0.000 -0.000 0.000 3/33792 280.0 3.390 3.390 5.755 0.000 -0.000 0.000 3/33792 290.0 3.260 3.260 5.550 0.000 -0.000 0.000 3/33792 300.0 3.140 3.140 5.360 0.000 -0.000 0.000 3/33792 310.0 3.030 3.030 5.183 0.000 -0.000 0.000 3/33792 320.0 2.927 2.927 5.018 0.000 -0.000 0.000 3/33792 330.0 2.831 2.831 4.864 0.000 -0.000 0.000 3/33792 340.0 2.741 2.741 4.720 0.000 -0.000 0.000 3/33792 350.0 2.657 2.657 4.584 0.000 -0.000 0.000 3/33792 360.0 2.578 2.578 4.456 0.000 -0.000 0.000 3/33792 370.0 2.504 2.504 4.336 0.000 -0.000 0.000 3/33792 380.0 2.435 2.435 4.222 0.000 -0.000 0.000 3/33792 390.0 2.369 2.369 4.114 0.000 -0.000 0.000 3/33792 400.0 2.306 2.306 4.011 0.000 -0.000 0.000 3/33792 410.0 2.247 2.247 3.914 0.000 -0.000 0.000 3/33792 420.0 2.191 2.191 3.821 0.000 -0.000 0.000 3/33792 430.0 2.138 2.138 3.733 0.000 -0.000 0.000 3/33792 440.0 2.088 2.088 3.649 0.000 -0.000 0.000 3/33792 450.0 2.039 2.039 3.569 0.000 -0.000 0.000 3/33792 460.0 1.993 1.993 3.492 0.000 -0.000 0.000 3/33792 470.0 1.949 1.949 3.418 0.000 -0.000 0.000 3/33792 480.0 1.908 1.908 3.348 0.000 -0.000 0.000 3/33792 490.0 1.867 1.867 3.280 0.000 -0.000 0.000 3/33792 500.0 1.829 1.829 3.215 0.000 -0.000 0.000 3/33792 510.0 1.792 1.792 3.153 0.000 -0.000 0.000 3/33792 520.0 1.757 1.757 3.093 0.000 -0.000 0.000 3/33792 530.0 1.723 1.723 3.035 0.000 -0.000 0.000 3/33792 540.0 1.690 1.690 2.980 0.000 -0.000 0.000 3/33792 550.0 1.658 1.658 2.926 0.000 -0.000 0.000 3/33792 560.0 1.628 1.628 2.875 0.000 -0.000 0.000 3/33792 570.0 1.599 1.599 2.825 0.000 -0.000 0.000 3/33792 580.0 1.571 1.571 2.777 0.000 -0.000 0.000 3/33792 590.0 1.544 1.544 2.730 0.000 -0.000 0.000 3/33792 600.0 1.517 1.517 2.685 0.000 -0.000 0.000 3/33792 610.0 1.492 1.492 2.642 0.000 -0.000 0.000 3/33792 620.0 1.467 1.467 2.600 0.000 -0.000 0.000 3/33792 630.0 1.444 1.444 2.559 0.000 -0.000 0.000 3/33792 640.0 1.421 1.421 2.519 0.000 -0.000 0.000 3/33792 650.0 1.399 1.399 2.481 0.000 -0.000 0.000 3/33792 660.0 1.377 1.377 2.444 0.000 -0.000 0.000 3/33792 670.0 1.356 1.356 2.408 0.000 -0.000 0.000 3/33792 680.0 1.336 1.336 2.373 0.000 -0.000 0.000 3/33792 690.0 1.316 1.316 2.339 0.000 -0.000 0.000 3/33792 700.0 1.297 1.297 2.306 0.000 -0.000 0.000 3/33792 710.0 1.279 1.279 2.274 0.000 -0.000 0.000 3/33792 720.0 1.261 1.261 2.242 0.000 -0.000 0.000 3/33792 730.0 1.243 1.243 2.212 0.000 -0.000 0.000 3/33792 740.0 1.226 1.226 2.182 0.000 -0.000 0.000 3/33792 750.0 1.210 1.210 2.154 0.000 -0.000 0.000 3/33792 760.0 1.194 1.194 2.126 0.000 -0.000 0.000 3/33792 770.0 1.178 1.178 2.098 0.000 -0.000 0.000 3/33792 780.0 1.163 1.163 2.072 0.000 -0.000 0.000 3/33792 790.0 1.148 1.148 2.046 0.000 -0.000 0.000 3/33792 800.0 1.133 1.133 2.020 0.000 -0.000 0.000 3/33792 810.0 1.119 1.119 1.996 0.000 -0.000 0.000 3/33792 820.0 1.106 1.106 1.972 0.000 -0.000 0.000 3/33792 830.0 1.092 1.092 1.948 0.000 -0.000 0.000 3/33792 840.0 1.079 1.079 1.925 0.000 -0.000 0.000 3/33792 850.0 1.066 1.066 1.903 0.000 -0.000 0.000 3/33792 860.0 1.054 1.054 1.881 0.000 -0.000 0.000 3/33792 870.0 1.041 1.041 1.859 0.000 -0.000 0.000 3/33792 880.0 1.030 1.030 1.838 0.000 -0.000 0.000 3/33792 890.0 1.018 1.018 1.818 0.000 -0.000 0.000 3/33792 900.0 1.007 1.007 1.798 0.000 -0.000 0.000 3/33792 910.0 0.995 0.995 1.778 0.000 -0.000 0.000 3/33792 920.0 0.984 0.984 1.759 0.000 -0.000 0.000 3/33792 930.0 0.974 0.974 1.740 0.000 -0.000 0.000 3/33792 940.0 0.963 0.963 1.722 0.000 -0.000 0.000 3/33792 950.0 0.953 0.953 1.704 0.000 -0.000 0.000 3/33792 960.0 0.943 0.943 1.686 0.000 -0.000 0.000 3/33792 970.0 0.933 0.933 1.669 0.000 -0.000 0.000 3/33792 980.0 0.924 0.924 1.652 0.000 -0.000 0.000 3/33792 990.0 0.914 0.914 1.636 0.000 -0.000 0.000 3/33792 1000.0 0.905 0.905 1.620 0.000 -0.000 0.000 3/33792 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:12:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|