----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:02:03]------------------------- Compiled with OpenMP support (max 48 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 4.514002697087972 2.606160672286432 4.144901883333328 b -4.514002697087964 2.606160672286432 4.144901883333328 c 0.000000000000005 -5.212321344572873 4.144901883333328 Atomic positions (fractional): *1 B 0.38499753710874 0.38499753710874 0.38499753710874 10.811 2 B 0.61500246289127 0.61500246289127 0.61500246289127 10.811 3 B 0.88499753710873 0.88499753710873 0.88499753710874 10.811 4 B 0.11500246289127 0.11500246289127 0.11500246289127 10.811 *5 O 0.89630689177895 0.72686337304221 0.03537045844073 15.999 6 O 0.72686337304220 0.03537045844074 0.89630689177895 15.999 7 O 0.03537045844073 0.89630689177895 0.72686337304220 15.999 8 O 0.77313662695779 0.60369310822105 0.46462954155927 15.999 9 O 0.46462954155926 0.77313662695780 0.60369310822105 15.999 10 O 0.60369310822105 0.46462954155927 0.77313662695780 15.999 11 O 0.27313662695780 0.96462954155927 0.10369310822105 15.999 12 O 0.10369310822105 0.27313662695780 0.96462954155927 15.999 13 O 0.96462954155927 0.10369310822105 0.27313662695779 15.999 14 O 0.53537045844073 0.22686337304221 0.39630689177895 15.999 15 O 0.39630689177895 0.53537045844074 0.22686337304220 15.999 16 O 0.22686337304220 0.39630689177895 0.53537045844073 15.999 *17 Sr 0.10485317260885 0.75000000000000 0.39514682739115 87.620 18 Sr 0.75000000000000 0.39514682739115 0.10485317260885 87.620 19 Sr 0.39514682739115 0.10485317260885 0.75000000000000 87.620 20 Sr 0.89514682739115 0.25000000000000 0.60485317260885 87.620 21 Sr 0.25000000000000 0.60485317260885 0.89514682739115 87.620 22 Sr 0.60485317260885 0.89514682739116 0.25000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.028005394175937 0.000000000000000 0.000000000000000 b -4.514002697087968 7.818482016859305 0.000000000000000 c 0.000000000000000 0.000000000000000 12.434705649999998 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.71833087044207 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.94833579622460 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.21833087044207 10.811 > 3 4 B 0.66666666666667 0.33333333333333 0.44833579622460 10.811 > 4 5 B 0.33333333333333 0.66666666666667 0.05166420377540 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.28166912955793 10.811 > 2 7 B 0.33333333333333 0.66666666666667 0.55166420377540 10.811 > 3 8 B 0.33333333333333 0.66666666666667 0.78166912955793 10.811 > 4 9 B 0.00000000000000 0.00000000000000 0.38499753710873 10.811 > 1 10 B 0.00000000000000 0.00000000000000 0.61500246289127 10.811 > 2 11 B 0.00000000000000 0.00000000000000 0.88499753710873 10.811 > 3 12 B 0.00000000000000 0.00000000000000 0.11500246289127 10.811 > 4 *13 O 0.01012665069165 0.85080978264656 0.88618024108730 15.999 > 5 14 O 0.84068313195491 0.98987334930835 0.88618024108730 15.999 > 6 15 O 0.14919021735344 0.15931686804509 0.88618024108730 15.999 > 7 16 O 0.82598353471176 0.48252355068677 0.94715309224604 15.999 > 8 17 O 0.51747644931323 0.34345998402499 0.94715309224604 15.999 > 9 18 O 0.65654001597501 0.17401646528824 0.94715309224604 15.999 > 10 19 O 0.49265020137842 0.67679331735832 0.78048642557937 15.999 > 11 20 O 0.32320668264168 0.81585688402011 0.78048642557937 15.999 > 12 21 O 0.18414311597989 0.50734979862158 0.78048642557937 15.999 > 13 22 O 0.81585688402011 0.32320668264168 0.71951357442063 15.999 > 14 23 O 0.67679331735832 0.49265020137842 0.71951357442063 15.999 > 15 24 O 0.50734979862158 0.18414311597989 0.71951357442063 15.999 > 16 25 O 0.67679331735832 0.18414311597989 0.21951357442063 15.999 > 5 26 O 0.50734979862158 0.32320668264168 0.21951357442063 15.999 > 6 27 O 0.81585688402011 0.49265020137842 0.21951357442063 15.999 > 7 28 O 0.49265020137842 0.81585688402011 0.28048642557937 15.999 > 8 29 O 0.18414311597989 0.67679331735832 0.28048642557937 15.999 > 9 30 O 0.32320668264168 0.50734979862158 0.28048642557937 15.999 > 10 31 O 0.15931686804509 0.01012665069165 0.11381975891270 15.999 > 11 32 O 0.98987334930835 0.14919021735344 0.11381975891270 15.999 > 12 33 O 0.85080978264656 0.84068313195491 0.11381975891270 15.999 > 13 34 O 0.48252355068677 0.65654001597501 0.05284690775396 15.999 > 14 35 O 0.34345998402499 0.82598353471176 0.05284690775396 15.999 > 15 36 O 0.17401646528824 0.51747644931323 0.05284690775396 15.999 > 16 37 O 0.34345998402499 0.51747644931323 0.55284690775396 15.999 > 5 38 O 0.17401646528824 0.65654001597501 0.55284690775396 15.999 > 6 39 O 0.48252355068677 0.82598353471176 0.55284690775396 15.999 > 7 40 O 0.15931686804509 0.14919021735344 0.61381975891270 15.999 > 8 41 O 0.85080978264656 0.01012665069165 0.61381975891270 15.999 > 9 42 O 0.98987334930835 0.84068313195491 0.61381975891270 15.999 > 10 43 O 0.82598353471176 0.34345998402499 0.44715309224604 15.999 > 11 44 O 0.65654001597501 0.48252355068677 0.44715309224604 15.999 > 12 45 O 0.51747644931323 0.17401646528824 0.44715309224604 15.999 > 13 46 O 0.14919021735344 0.98987334930835 0.38618024108730 15.999 > 14 47 O 0.01012665069165 0.15931686804509 0.38618024108730 15.999 > 15 48 O 0.84068313195491 0.85080978264656 0.38618024108730 15.999 > 16 *49 Sr 0.35485317260885 0.35485317260885 0.75000000000000 87.620 > 17 50 Sr 0.00000000000000 0.64514682739115 0.75000000000000 87.620 > 18 51 Sr 0.64514682739115 0.00000000000000 0.75000000000000 87.620 > 19 52 Sr 0.97848016072449 0.31181349405782 0.91666666666667 87.620 > 20 53 Sr 0.33333333333333 0.02151983927551 0.91666666666667 87.620 > 21 54 Sr 0.68818650594218 0.66666666666667 0.91666666666667 87.620 > 22 55 Sr 0.02151983927551 0.68818650594218 0.08333333333333 87.620 > 17 56 Sr 0.66666666666667 0.97848016072449 0.08333333333333 87.620 > 18 57 Sr 0.31181349405782 0.33333333333333 0.08333333333333 87.620 > 19 58 Sr 0.64514682739115 0.64514682739115 0.25000000000000 87.620 > 20 59 Sr 0.00000000000000 0.35485317260885 0.25000000000000 87.620 > 21 60 Sr 0.35485317260885 0.00000000000000 0.25000000000000 87.620 > 22 61 Sr 0.68818650594218 0.02151983927551 0.41666666666667 87.620 > 17 62 Sr 0.33333333333333 0.31181349405782 0.41666666666667 87.620 > 18 63 Sr 0.97848016072449 0.66666666666667 0.41666666666667 87.620 > 19 64 Sr 0.31181349405782 0.97848016072449 0.58333333333333 87.620 > 20 65 Sr 0.66666666666667 0.68818650594218 0.58333333333333 87.620 > 21 66 Sr 0.02151983927551 0.33333333333333 0.58333333333333 87.620 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.028005394175937 0.000000000000000 0.000000000000000 b -4.514002697087968 7.818482016859305 0.000000000000000 c 0.000000000000000 0.000000000000000 12.434705649999998 Atomic positions (fractional): *1 B 0.66666666666667 0.33333333333333 0.71833087044207 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.94833579622460 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.21833087044207 10.811 > 3 4 B 0.66666666666667 0.33333333333333 0.44833579622460 10.811 > 4 5 B 0.33333333333333 0.66666666666667 0.05166420377540 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.28166912955793 10.811 > 2 7 B 0.33333333333333 0.66666666666667 0.55166420377540 10.811 > 3 8 B 0.33333333333333 0.66666666666667 0.78166912955793 10.811 > 4 9 B 0.00000000000000 0.00000000000000 0.38499753710873 10.811 > 1 10 B 0.00000000000000 0.00000000000000 0.61500246289127 10.811 > 2 11 B 0.00000000000000 0.00000000000000 0.88499753710873 10.811 > 3 12 B 0.00000000000000 0.00000000000000 0.11500246289127 10.811 > 4 *13 O 0.01012665069165 0.85080978264656 0.88618024108730 15.999 > 5 14 O 0.84068313195491 0.98987334930835 0.88618024108730 15.999 > 6 15 O 0.14919021735344 0.15931686804509 0.88618024108730 15.999 > 7 16 O 0.82598353471176 0.48252355068677 0.94715309224604 15.999 > 8 17 O 0.51747644931323 0.34345998402499 0.94715309224604 15.999 > 9 18 O 0.65654001597501 0.17401646528824 0.94715309224604 15.999 > 10 19 O 0.49265020137842 0.67679331735832 0.78048642557937 15.999 > 11 20 O 0.32320668264168 0.81585688402011 0.78048642557937 15.999 > 12 21 O 0.18414311597989 0.50734979862158 0.78048642557937 15.999 > 13 22 O 0.81585688402011 0.32320668264168 0.71951357442063 15.999 > 14 23 O 0.67679331735832 0.49265020137842 0.71951357442063 15.999 > 15 24 O 0.50734979862158 0.18414311597989 0.71951357442063 15.999 > 16 25 O 0.67679331735832 0.18414311597989 0.21951357442063 15.999 > 5 26 O 0.50734979862158 0.32320668264168 0.21951357442063 15.999 > 6 27 O 0.81585688402011 0.49265020137842 0.21951357442063 15.999 > 7 28 O 0.49265020137842 0.81585688402011 0.28048642557937 15.999 > 8 29 O 0.18414311597989 0.67679331735832 0.28048642557937 15.999 > 9 30 O 0.32320668264168 0.50734979862158 0.28048642557937 15.999 > 10 31 O 0.15931686804509 0.01012665069165 0.11381975891270 15.999 > 11 32 O 0.98987334930835 0.14919021735344 0.11381975891270 15.999 > 12 33 O 0.85080978264656 0.84068313195491 0.11381975891270 15.999 > 13 34 O 0.48252355068677 0.65654001597501 0.05284690775396 15.999 > 14 35 O 0.34345998402499 0.82598353471176 0.05284690775396 15.999 > 15 36 O 0.17401646528824 0.51747644931323 0.05284690775396 15.999 > 16 37 O 0.34345998402499 0.51747644931323 0.55284690775396 15.999 > 5 38 O 0.17401646528824 0.65654001597501 0.55284690775396 15.999 > 6 39 O 0.48252355068677 0.82598353471176 0.55284690775396 15.999 > 7 40 O 0.15931686804509 0.14919021735344 0.61381975891270 15.999 > 8 41 O 0.85080978264656 0.01012665069165 0.61381975891270 15.999 > 9 42 O 0.98987334930835 0.84068313195491 0.61381975891270 15.999 > 10 43 O 0.82598353471176 0.34345998402499 0.44715309224604 15.999 > 11 44 O 0.65654001597501 0.48252355068677 0.44715309224604 15.999 > 12 45 O 0.51747644931323 0.17401646528824 0.44715309224604 15.999 > 13 46 O 0.14919021735344 0.98987334930835 0.38618024108730 15.999 > 14 47 O 0.01012665069165 0.15931686804509 0.38618024108730 15.999 > 15 48 O 0.84068313195491 0.85080978264656 0.38618024108730 15.999 > 16 *49 Sr 0.35485317260885 0.35485317260885 0.75000000000000 87.620 > 17 50 Sr 0.00000000000000 0.64514682739115 0.75000000000000 87.620 > 18 51 Sr 0.64514682739115 0.00000000000000 0.75000000000000 87.620 > 19 52 Sr 0.97848016072449 0.31181349405782 0.91666666666667 87.620 > 20 53 Sr 0.33333333333333 0.02151983927551 0.91666666666667 87.620 > 21 54 Sr 0.68818650594218 0.66666666666667 0.91666666666667 87.620 > 22 55 Sr 0.02151983927551 0.68818650594218 0.08333333333333 87.620 > 17 56 Sr 0.66666666666667 0.97848016072449 0.08333333333333 87.620 > 18 57 Sr 0.31181349405782 0.33333333333333 0.08333333333333 87.620 > 19 58 Sr 0.64514682739115 0.64514682739115 0.25000000000000 87.620 > 20 59 Sr 0.00000000000000 0.35485317260885 0.25000000000000 87.620 > 21 60 Sr 0.35485317260885 0.00000000000000 0.25000000000000 87.620 > 22 61 Sr 0.68818650594218 0.02151983927551 0.41666666666667 87.620 > 17 62 Sr 0.33333333333333 0.31181349405782 0.41666666666667 87.620 > 18 63 Sr 0.97848016072449 0.66666666666667 0.41666666666667 87.620 > 19 64 Sr 0.31181349405782 0.97848016072449 0.58333333333333 87.620 > 20 65 Sr 0.66666666666667 0.68818650594218 0.58333333333333 87.620 > 21 66 Sr 0.02151983927551 0.33333333333333 0.58333333333333 87.620 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3273946 0.0000000 0.0000000 0.0000000 3.3273946 0.0000000 0.0000000 0.0000000 2.8544110 -------------------------- Born effective charges -------------------------- 1 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 2 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 3 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 4 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 5 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 6 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 7 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 8 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 9 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 10 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 11 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 12 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 13 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 14 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 15 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 16 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 17 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 18 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 19 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 20 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 21 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 22 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 ---------------------------------------------------------------------------- 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: 8265/8265 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 589 Number of blocks in projector: 289 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: 274 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (589, 572), data: False |-- (81, 78), data: True |-- (234, 228), data: True |-- (274, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 0.260 Solver_block: 200 / 240 - Time: 0.264 Solver_block: 240 / 240 - Time: 0.118 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.655 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 198/198 Permutation basis: 8265/8265 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 589 Number of blocks in projector: 289 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: 274 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 81 Use standard eigh solver. Tree of FC basis block matrices: - (589, 572), data: False |-- (81, 78), data: True |-- (234, 228), data: True |-- (274, 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 2026-01-08 02:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:02:12]------------------------- Compiled with OpenMP support (max 48 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 4.514002697087972 2.606160672286432 4.144901883333328 b -4.514002697087964 2.606160672286432 4.144901883333328 c 0.000000000000005 -5.212321344572873 4.144901883333328 Atomic positions (fractional): 1 B 0.38499753710874 0.38499753710874 0.38499753710874 10.811 2 B 0.61500246289127 0.61500246289127 0.61500246289127 10.811 3 B 0.88499753710873 0.88499753710873 0.88499753710874 10.811 4 B 0.11500246289127 0.11500246289127 0.11500246289127 10.811 5 O 0.89630689177895 0.72686337304221 0.03537045844073 15.999 6 O 0.72686337304220 0.03537045844074 0.89630689177895 15.999 7 O 0.03537045844073 0.89630689177895 0.72686337304220 15.999 8 O 0.77313662695779 0.60369310822105 0.46462954155927 15.999 9 O 0.46462954155926 0.77313662695780 0.60369310822105 15.999 10 O 0.60369310822105 0.46462954155927 0.77313662695780 15.999 11 O 0.27313662695780 0.96462954155927 0.10369310822105 15.999 12 O 0.10369310822105 0.27313662695780 0.96462954155927 15.999 13 O 0.96462954155927 0.10369310822105 0.27313662695779 15.999 14 O 0.53537045844073 0.22686337304221 0.39630689177895 15.999 15 O 0.39630689177895 0.53537045844074 0.22686337304220 15.999 16 O 0.22686337304220 0.39630689177895 0.53537045844073 15.999 17 Sr 0.10485317260885 0.75000000000000 0.39514682739115 87.620 18 Sr 0.75000000000000 0.39514682739115 0.10485317260885 87.620 19 Sr 0.39514682739115 0.10485317260885 0.75000000000000 87.620 20 Sr 0.89514682739115 0.25000000000000 0.60485317260885 87.620 21 Sr 0.25000000000000 0.60485317260885 0.89514682739115 87.620 22 Sr 0.60485317260885 0.89514682739116 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.028005394175937 0.000000000000000 0.000000000000000 b -4.514002697087968 7.818482016859305 0.000000000000000 c 0.000000000000000 0.000000000000000 12.434705649999998 Atomic positions (fractional): 1 B 0.66666666666667 0.33333333333333 0.71833087044207 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.94833579622460 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.21833087044207 10.811 > 3 4 B 0.66666666666667 0.33333333333333 0.44833579622460 10.811 > 4 5 B 0.33333333333333 0.66666666666667 0.05166420377540 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.28166912955793 10.811 > 2 7 B 0.33333333333333 0.66666666666667 0.55166420377540 10.811 > 3 8 B 0.33333333333333 0.66666666666667 0.78166912955793 10.811 > 4 9 B 0.00000000000000 0.00000000000000 0.38499753710873 10.811 > 1 10 B 0.00000000000000 0.00000000000000 0.61500246289127 10.811 > 2 11 B 0.00000000000000 0.00000000000000 0.88499753710873 10.811 > 3 12 B 0.00000000000000 0.00000000000000 0.11500246289127 10.811 > 4 13 O 0.01012665069165 0.85080978264656 0.88618024108730 15.999 > 13 14 O 0.84068313195491 0.98987334930835 0.88618024108730 15.999 > 14 15 O 0.14919021735344 0.15931686804509 0.88618024108730 15.999 > 15 16 O 0.82598353471176 0.48252355068677 0.94715309224604 15.999 > 16 17 O 0.51747644931323 0.34345998402499 0.94715309224604 15.999 > 17 18 O 0.65654001597501 0.17401646528824 0.94715309224604 15.999 > 18 19 O 0.49265020137842 0.67679331735832 0.78048642557937 15.999 > 19 20 O 0.32320668264168 0.81585688402011 0.78048642557937 15.999 > 20 21 O 0.18414311597989 0.50734979862158 0.78048642557937 15.999 > 21 22 O 0.81585688402011 0.32320668264168 0.71951357442063 15.999 > 22 23 O 0.67679331735832 0.49265020137842 0.71951357442063 15.999 > 23 24 O 0.50734979862158 0.18414311597989 0.71951357442063 15.999 > 24 25 O 0.67679331735832 0.18414311597989 0.21951357442063 15.999 > 13 26 O 0.50734979862158 0.32320668264168 0.21951357442063 15.999 > 14 27 O 0.81585688402011 0.49265020137842 0.21951357442063 15.999 > 15 28 O 0.49265020137842 0.81585688402011 0.28048642557937 15.999 > 16 29 O 0.18414311597989 0.67679331735832 0.28048642557937 15.999 > 17 30 O 0.32320668264168 0.50734979862158 0.28048642557937 15.999 > 18 31 O 0.15931686804509 0.01012665069165 0.11381975891270 15.999 > 19 32 O 0.98987334930835 0.14919021735344 0.11381975891270 15.999 > 20 33 O 0.85080978264656 0.84068313195491 0.11381975891270 15.999 > 21 34 O 0.48252355068677 0.65654001597501 0.05284690775396 15.999 > 22 35 O 0.34345998402499 0.82598353471176 0.05284690775396 15.999 > 23 36 O 0.17401646528824 0.51747644931323 0.05284690775396 15.999 > 24 37 O 0.34345998402499 0.51747644931323 0.55284690775396 15.999 > 13 38 O 0.17401646528824 0.65654001597501 0.55284690775396 15.999 > 14 39 O 0.48252355068677 0.82598353471176 0.55284690775396 15.999 > 15 40 O 0.15931686804509 0.14919021735344 0.61381975891270 15.999 > 16 41 O 0.85080978264656 0.01012665069165 0.61381975891270 15.999 > 17 42 O 0.98987334930835 0.84068313195491 0.61381975891270 15.999 > 18 43 O 0.82598353471176 0.34345998402499 0.44715309224604 15.999 > 19 44 O 0.65654001597501 0.48252355068677 0.44715309224604 15.999 > 20 45 O 0.51747644931323 0.17401646528824 0.44715309224604 15.999 > 21 46 O 0.14919021735344 0.98987334930835 0.38618024108730 15.999 > 22 47 O 0.01012665069165 0.15931686804509 0.38618024108730 15.999 > 23 48 O 0.84068313195491 0.85080978264656 0.38618024108730 15.999 > 24 49 Sr 0.35485317260885 0.35485317260885 0.75000000000000 87.620 > 49 50 Sr 0.00000000000000 0.64514682739115 0.75000000000000 87.620 > 50 51 Sr 0.64514682739115 0.00000000000000 0.75000000000000 87.620 > 51 52 Sr 0.97848016072449 0.31181349405782 0.91666666666667 87.620 > 52 53 Sr 0.33333333333333 0.02151983927551 0.91666666666667 87.620 > 53 54 Sr 0.68818650594218 0.66666666666667 0.91666666666667 87.620 > 54 55 Sr 0.02151983927551 0.68818650594218 0.08333333333333 87.620 > 49 56 Sr 0.66666666666667 0.97848016072449 0.08333333333333 87.620 > 50 57 Sr 0.31181349405782 0.33333333333333 0.08333333333333 87.620 > 51 58 Sr 0.64514682739115 0.64514682739115 0.25000000000000 87.620 > 52 59 Sr 0.00000000000000 0.35485317260885 0.25000000000000 87.620 > 53 60 Sr 0.35485317260885 0.00000000000000 0.25000000000000 87.620 > 54 61 Sr 0.68818650594218 0.02151983927551 0.41666666666667 87.620 > 49 62 Sr 0.33333333333333 0.31181349405782 0.41666666666667 87.620 > 50 63 Sr 0.97848016072449 0.66666666666667 0.41666666666667 87.620 > 51 64 Sr 0.31181349405782 0.97848016072449 0.58333333333333 87.620 > 52 65 Sr 0.66666666666667 0.68818650594218 0.58333333333333 87.620 > 53 66 Sr 0.02151983927551 0.33333333333333 0.58333333333333 87.620 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3273946 0.0000000 0.0000000 0.0000000 3.3273946 0.0000000 0.0000000 0.0000000 2.8544110 -------------------------- Born effective charges -------------------------- 1 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 2 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 3 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 4 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 5 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 6 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 7 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 8 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 9 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 10 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 11 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 12 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 13 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 14 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 15 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 16 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 17 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 18 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 19 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 20 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 21 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 22 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:02:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:02:20]------------------------- Compiled with OpenMP support (max 48 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 4.514002697087972 2.606160672286432 4.144901883333328 b -4.514002697087964 2.606160672286432 4.144901883333328 c 0.000000000000005 -5.212321344572873 4.144901883333328 Atomic positions (fractional): 1 B 0.38499753710874 0.38499753710874 0.38499753710874 10.811 2 B 0.61500246289127 0.61500246289127 0.61500246289127 10.811 3 B 0.88499753710873 0.88499753710873 0.88499753710874 10.811 4 B 0.11500246289127 0.11500246289127 0.11500246289127 10.811 5 O 0.89630689177895 0.72686337304221 0.03537045844073 15.999 6 O 0.72686337304220 0.03537045844074 0.89630689177895 15.999 7 O 0.03537045844073 0.89630689177895 0.72686337304220 15.999 8 O 0.77313662695779 0.60369310822105 0.46462954155927 15.999 9 O 0.46462954155926 0.77313662695780 0.60369310822105 15.999 10 O 0.60369310822105 0.46462954155927 0.77313662695780 15.999 11 O 0.27313662695780 0.96462954155927 0.10369310822105 15.999 12 O 0.10369310822105 0.27313662695780 0.96462954155927 15.999 13 O 0.96462954155927 0.10369310822105 0.27313662695779 15.999 14 O 0.53537045844073 0.22686337304221 0.39630689177895 15.999 15 O 0.39630689177895 0.53537045844074 0.22686337304220 15.999 16 O 0.22686337304220 0.39630689177895 0.53537045844073 15.999 17 Sr 0.10485317260885 0.75000000000000 0.39514682739115 87.620 18 Sr 0.75000000000000 0.39514682739115 0.10485317260885 87.620 19 Sr 0.39514682739115 0.10485317260885 0.75000000000000 87.620 20 Sr 0.89514682739115 0.25000000000000 0.60485317260885 87.620 21 Sr 0.25000000000000 0.60485317260885 0.89514682739115 87.620 22 Sr 0.60485317260885 0.89514682739116 0.25000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.028005394175937 0.000000000000000 0.000000000000000 b -4.514002697087968 7.818482016859305 0.000000000000000 c 0.000000000000000 0.000000000000000 12.434705649999998 Atomic positions (fractional): 1 B 0.66666666666667 0.33333333333333 0.71833087044207 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.94833579622460 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.21833087044207 10.811 > 3 4 B 0.66666666666667 0.33333333333333 0.44833579622460 10.811 > 4 5 B 0.33333333333333 0.66666666666667 0.05166420377540 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.28166912955793 10.811 > 2 7 B 0.33333333333333 0.66666666666667 0.55166420377540 10.811 > 3 8 B 0.33333333333333 0.66666666666667 0.78166912955793 10.811 > 4 9 B 0.00000000000000 0.00000000000000 0.38499753710873 10.811 > 1 10 B 0.00000000000000 0.00000000000000 0.61500246289127 10.811 > 2 11 B 0.00000000000000 0.00000000000000 0.88499753710873 10.811 > 3 12 B 0.00000000000000 0.00000000000000 0.11500246289127 10.811 > 4 13 O 0.01012665069165 0.85080978264656 0.88618024108730 15.999 > 13 14 O 0.84068313195491 0.98987334930835 0.88618024108730 15.999 > 14 15 O 0.14919021735344 0.15931686804509 0.88618024108730 15.999 > 15 16 O 0.82598353471176 0.48252355068677 0.94715309224604 15.999 > 16 17 O 0.51747644931323 0.34345998402499 0.94715309224604 15.999 > 17 18 O 0.65654001597501 0.17401646528824 0.94715309224604 15.999 > 18 19 O 0.49265020137842 0.67679331735832 0.78048642557937 15.999 > 19 20 O 0.32320668264168 0.81585688402011 0.78048642557937 15.999 > 20 21 O 0.18414311597989 0.50734979862158 0.78048642557937 15.999 > 21 22 O 0.81585688402011 0.32320668264168 0.71951357442063 15.999 > 22 23 O 0.67679331735832 0.49265020137842 0.71951357442063 15.999 > 23 24 O 0.50734979862158 0.18414311597989 0.71951357442063 15.999 > 24 25 O 0.67679331735832 0.18414311597989 0.21951357442063 15.999 > 13 26 O 0.50734979862158 0.32320668264168 0.21951357442063 15.999 > 14 27 O 0.81585688402011 0.49265020137842 0.21951357442063 15.999 > 15 28 O 0.49265020137842 0.81585688402011 0.28048642557937 15.999 > 16 29 O 0.18414311597989 0.67679331735832 0.28048642557937 15.999 > 17 30 O 0.32320668264168 0.50734979862158 0.28048642557937 15.999 > 18 31 O 0.15931686804509 0.01012665069165 0.11381975891270 15.999 > 19 32 O 0.98987334930835 0.14919021735344 0.11381975891270 15.999 > 20 33 O 0.85080978264656 0.84068313195491 0.11381975891270 15.999 > 21 34 O 0.48252355068677 0.65654001597501 0.05284690775396 15.999 > 22 35 O 0.34345998402499 0.82598353471176 0.05284690775396 15.999 > 23 36 O 0.17401646528824 0.51747644931323 0.05284690775396 15.999 > 24 37 O 0.34345998402499 0.51747644931323 0.55284690775396 15.999 > 13 38 O 0.17401646528824 0.65654001597501 0.55284690775396 15.999 > 14 39 O 0.48252355068677 0.82598353471176 0.55284690775396 15.999 > 15 40 O 0.15931686804509 0.14919021735344 0.61381975891270 15.999 > 16 41 O 0.85080978264656 0.01012665069165 0.61381975891270 15.999 > 17 42 O 0.98987334930835 0.84068313195491 0.61381975891270 15.999 > 18 43 O 0.82598353471176 0.34345998402499 0.44715309224604 15.999 > 19 44 O 0.65654001597501 0.48252355068677 0.44715309224604 15.999 > 20 45 O 0.51747644931323 0.17401646528824 0.44715309224604 15.999 > 21 46 O 0.14919021735344 0.98987334930835 0.38618024108730 15.999 > 22 47 O 0.01012665069165 0.15931686804509 0.38618024108730 15.999 > 23 48 O 0.84068313195491 0.85080978264656 0.38618024108730 15.999 > 24 49 Sr 0.35485317260885 0.35485317260885 0.75000000000000 87.620 > 49 50 Sr 0.00000000000000 0.64514682739115 0.75000000000000 87.620 > 50 51 Sr 0.64514682739115 0.00000000000000 0.75000000000000 87.620 > 51 52 Sr 0.97848016072449 0.31181349405782 0.91666666666667 87.620 > 52 53 Sr 0.33333333333333 0.02151983927551 0.91666666666667 87.620 > 53 54 Sr 0.68818650594218 0.66666666666667 0.91666666666667 87.620 > 54 55 Sr 0.02151983927551 0.68818650594218 0.08333333333333 87.620 > 49 56 Sr 0.66666666666667 0.97848016072449 0.08333333333333 87.620 > 50 57 Sr 0.31181349405782 0.33333333333333 0.08333333333333 87.620 > 51 58 Sr 0.64514682739115 0.64514682739115 0.25000000000000 87.620 > 52 59 Sr 0.00000000000000 0.35485317260885 0.25000000000000 87.620 > 53 60 Sr 0.35485317260885 0.00000000000000 0.25000000000000 87.620 > 54 61 Sr 0.68818650594218 0.02151983927551 0.41666666666667 87.620 > 49 62 Sr 0.33333333333333 0.31181349405782 0.41666666666667 87.620 > 50 63 Sr 0.97848016072449 0.66666666666667 0.41666666666667 87.620 > 51 64 Sr 0.31181349405782 0.97848016072449 0.58333333333333 87.620 > 52 65 Sr 0.66666666666667 0.68818650594218 0.58333333333333 87.620 > 53 66 Sr 0.02151983927551 0.33333333333333 0.58333333333333 87.620 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3273946 0.0000000 0.0000000 0.0000000 3.3273946 0.0000000 0.0000000 0.0000000 2.8544110 -------------------------- Born effective charges -------------------------- 1 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 2 B 2.6595905 -0.0058556 0.0000000 0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 3 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 4 B 2.6595905 0.0058556 0.0000000 -0.0058556 2.6595905 -0.0000000 -0.0000000 -0.0000000 0.5731823 5 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 6 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 7 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 8 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 9 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 10 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 11 O -2.5748178 -0.0006539 -0.1702802 0.0035071 -1.7938989 0.0054926 -0.1351421 -0.0022800 -1.2934239 12 O -1.9878932 0.3353540 0.0803834 0.3395150 -2.3808236 -0.1502133 0.0695456 -0.1158965 -1.2934239 13 O -1.9903641 -0.3409416 0.0898968 -0.3367806 -2.3783526 0.1447207 0.0655966 0.1181765 -1.2934239 14 O -2.5748178 0.0006539 0.1702802 -0.0035071 -1.7938989 0.0054926 0.1351421 -0.0022800 -1.2934239 15 O -1.9903641 0.3409416 -0.0898968 0.3367806 -2.3783526 0.1447207 -0.0655966 0.1181765 -1.2934239 16 O -1.9878932 -0.3353540 -0.0803834 -0.3395150 -2.3808236 -0.1502133 -0.0695456 -0.1158965 -1.2934239 17 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 18 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 19 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 20 Sr 2.6130575 -0.0301396 0.0641506 -0.0301396 2.5782553 -0.0370374 0.0300451 -0.0173465 2.2047262 21 Sr 2.6130575 0.0301396 -0.0641506 0.0301396 2.5782553 -0.0370374 -0.0300451 -0.0173465 2.2047262 22 Sr 2.5608542 -0.0000000 -0.0000000 -0.0000000 2.6304586 0.0740747 -0.0000000 0.0346930 2.2047262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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: 0.63, Number of G-points: 293, Lambda: 0.12 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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 1.418 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.528 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.366 ( 0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.033 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000 17.405 ( 0.000 0.000 0.000) 0.000 17.405 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 17.720 ( 0.000 0.000 0.000) 0.000 20.180 ( 0.000 0.000 0.000) 0.000 20.908 ( 0.000 0.000 0.000) 0.000 21.441 ( 0.000 0.000 0.000) 0.000 21.881 ( 0.000 0.000 0.000) 0.000 26.105 ( 0.000 0.000 0.000) 0.000 26.322 ( 0.000 0.000 0.000) 0.000 26.550 ( 0.000 0.000 0.000) 0.000 26.559 ( 0.000 0.000 0.000) 0.000 35.606 ( 0.000 0.000 0.000) 0.000 35.606 ( 0.000 0.000 0.000) 0.000 35.704 ( 0.000 0.000 0.000) 0.000 35.704 ( 0.000 0.000 0.000) 0.000 36.446 ( 0.000 0.000 0.000) 0.000 36.446 ( 0.000 0.000 0.000) 0.000 36.614 ( 0.000 0.000 0.000) 0.000 36.614 ( 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 12.295 7.098 26.621) 30.170 0.576 ( 23.589 13.619 13.169) 30.255 0.907 ( 39.138 22.596 0.515) 45.195 1.462 ( 4.293 2.479 0.467) 4.979 1.642 ( 18.586 10.730 15.205) 26.302 2.745 ( -1.586 -0.916 -4.333) 4.705 2.840 ( 3.609 2.083 -2.597) 4.910 3.571 ( -22.705 -13.108 6.596) 27.034 3.729 ( -2.590 -1.495 -8.425) 8.940 3.904 ( -2.743 -1.584 -2.782) 4.216 3.986 ( 4.605 2.658 -0.860) 5.386 4.014 ( -15.828 -9.138 30.628) 35.666 4.652 ( -10.630 -6.137 -5.132) 13.304 4.827 ( -0.522 -0.301 7.132) 7.158 5.130 ( -3.118 -1.800 3.783) 5.222 5.135 ( -1.191 -0.687 -0.974) 1.685 5.292 ( 0.802 0.463 -4.563) 4.656 5.482 ( -4.180 -2.414 2.491) 5.432 5.547 ( 4.328 2.499 -0.628) 5.037 5.566 ( -11.893 -6.866 31.969) 34.794 5.580 ( 1.477 0.853 -9.531) 9.682 5.848 ( -9.983 -5.764 11.900) 16.568 6.111 ( 0.909 0.525 -3.197) 3.365 6.111 ( 0.790 0.456 -2.597) 2.752 6.541 ( -3.341 -1.929 13.248) 13.798 6.970 ( -1.492 -0.861 2.758) 3.251 7.067 ( 5.824 3.362 3.330) 7.504 7.107 ( 2.863 1.653 -1.537) 3.646 7.200 ( 2.743 1.584 -1.901) 3.694 7.876 ( 0.648 0.374 -1.925) 2.066 8.056 ( 4.417 2.550 -0.371) 5.114 8.157 ( 0.072 0.041 -2.979) 2.981 8.320 ( 0.956 0.552 -1.623) 1.962 8.358 ( -0.650 -0.375 -0.247) 0.790 8.415 ( 2.795 1.614 3.583) 4.822 8.558 ( -1.052 -0.608 -3.261) 3.480 8.746 ( -3.017 -1.742 0.760) 3.566 8.957 ( -2.540 -1.466 1.133) 3.144 9.025 ( -0.166 -0.096 -0.352) 0.401 9.229 ( -2.060 -1.189 -0.606) 2.455 9.263 ( 0.301 0.174 2.179) 2.206 10.885 ( 25.416 14.674 -61.190) 67.864 17.085 ( 0.348 0.201 -0.821) 0.914 17.092 ( 1.059 0.612 -0.965) 1.558 17.285 ( -4.542 -2.622 1.426) 5.435 17.302 ( -5.052 -2.917 -2.561) 6.371 17.445 ( 2.534 1.463 -0.315) 2.943 17.485 ( 3.875 2.237 -0.063) 4.474 17.733 ( 1.821 1.051 -0.888) 2.282 17.771 ( 2.910 1.680 -2.013) 3.917 20.419 ( -19.145 -11.054 36.319) 42.518 20.862 ( 0.528 0.305 -9.298) 9.318 21.481 ( 0.035 0.020 7.198) 7.198 21.871 ( 0.045 0.026 -1.908) 1.909 26.121 ( 0.629 0.363 1.152) 1.362 26.324 ( 0.374 0.216 -0.453) 0.625 26.538 ( -1.498 -0.865 0.433) 1.784 26.554 ( -0.032 -0.019 -0.915) 0.916 35.597 ( -1.663 -0.960 1.328) 2.335 35.634 ( 1.251 0.722 2.798) 3.149 35.682 ( -0.309 -0.179 -3.693) 3.711 36.242 ( 1.555 0.898 -4.051) 4.431 36.268 ( -3.138 -1.812 -11.396) 11.958 36.410 ( -1.704 -0.984 -3.937) 4.401 36.886 ( 7.096 4.097 22.523) 23.967 38.447 ( 56.920 32.863 -111.091) 129.077 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 14.030 8.100 22.663) 27.858 1.122 ( 22.523 13.004 9.534) 27.700 1.387 ( 13.658 7.885 6.007) 16.876 1.578 ( 6.260 3.614 3.069) 7.853 2.389 ( 40.104 23.154 12.598) 47.991 2.623 ( -3.813 -2.202 -10.493) 11.380 2.904 ( 2.874 1.659 4.012) 5.207 3.187 ( -21.745 -12.555 0.630) 25.117 3.540 ( -4.994 -2.883 -12.454) 13.725 3.833 ( -0.126 -0.073 -6.631) 6.632 3.939 ( -14.512 -8.378 14.041) 21.861 4.093 ( 8.513 4.915 -3.241) 10.351 4.400 ( -11.330 -6.541 -2.733) 13.365 4.954 ( 2.632 1.520 12.281) 12.651 4.990 ( -8.623 -4.978 -5.861) 11.553 5.088 ( -3.387 -1.955 0.038) 3.911 5.269 ( 4.139 2.390 -7.100) 8.559 5.404 ( -6.107 -3.526 2.021) 7.336 5.504 ( -2.570 -1.484 -6.878) 7.491 5.627 ( -3.553 -2.052 0.617) 4.149 5.678 ( -2.766 -1.597 15.297) 15.627 5.721 ( -7.642 -4.412 7.082) 11.315 6.088 ( 1.745 1.007 -5.969) 6.300 6.094 ( 0.583 0.337 -3.367) 3.434 6.688 ( 0.271 0.157 21.215) 21.217 7.002 ( 0.747 0.432 5.178) 5.250 7.138 ( 2.723 1.572 -2.958) 4.317 7.167 ( 2.341 1.352 0.689) 2.790 7.271 ( 5.133 2.964 0.492) 5.948 7.834 ( -0.965 -0.557 -6.941) 7.030 8.135 ( 1.511 0.872 -3.588) 3.989 8.173 ( 8.094 4.673 -0.237) 9.349 8.326 ( 1.915 1.106 -2.150) 3.085 8.345 ( -0.322 -0.186 -0.122) 0.391 8.499 ( -1.161 -0.670 -3.608) 3.849 8.507 ( 1.854 1.071 3.910) 4.458 8.672 ( -5.795 -3.346 1.391) 6.835 8.894 ( -5.486 -3.168 1.160) 6.441 9.034 ( 0.343 0.198 1.667) 1.714 9.172 ( -2.637 -1.522 -1.557) 3.420 9.335 ( 4.810 2.777 4.967) 7.452 10.672 ( 2.302 1.329 -31.763) 31.874 17.077 ( -0.660 -0.381 -0.689) 1.027 17.091 ( 0.211 0.122 -2.156) 2.170 17.197 ( -3.410 -1.969 -1.257) 4.133 17.231 ( -2.984 -1.723 1.881) 3.926 17.483 ( 1.531 0.884 1.221) 2.149 17.560 ( 3.429 1.980 1.440) 4.213 17.761 ( 2.518 1.454 -2.150) 3.616 17.788 ( 0.448 0.258 -1.349) 1.445 20.439 ( -9.323 -5.383 20.103) 22.804 20.759 ( 1.203 0.695 -13.427) 13.499 21.569 ( -0.008 -0.005 9.384) 9.384 21.844 ( 0.118 0.068 -3.780) 3.783 26.155 ( 1.683 0.972 1.290) 2.333 26.324 ( 0.404 0.233 -1.117) 1.210 26.509 ( -2.329 -1.345 1.182) 2.938 26.539 ( -0.131 -0.076 -1.741) 1.748 35.573 ( -2.919 -1.685 2.448) 4.166 35.610 ( -0.664 -0.384 -6.285) 6.332 35.721 ( 2.394 1.382 6.078) 6.677 36.162 ( 1.069 0.617 -6.500) 6.616 36.224 ( 0.766 0.442 -3.809) 3.910 36.310 ( -4.246 -2.452 -4.482) 6.643 37.254 ( 5.723 3.304 26.213) 27.033 38.345 ( 23.243 13.419 -56.341) 62.407 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 14.053 8.114 7.639) 17.936 1.522 ( 11.252 6.497 1.533) 13.083 1.660 ( 5.632 3.252 18.236) 19.361 1.796 ( 12.990 7.500 9.603) 17.810 2.388 ( -5.536 -3.196 -18.696) 19.759 2.680 ( -20.692 -11.947 -0.789) 23.906 3.020 ( 4.803 2.773 2.074) 5.921 3.330 ( 33.250 19.197 15.519) 41.412 3.334 ( -4.117 -2.377 -11.047) 12.027 3.763 ( 3.422 1.976 -12.385) 13.000 3.813 ( -12.306 -7.105 12.077) 18.648 4.193 ( -10.333 -5.966 0.448) 11.940 4.237 ( 13.182 7.610 -6.978) 16.744 4.784 ( -10.018 -5.784 -1.286) 11.639 5.012 ( -1.413 -0.816 -5.572) 5.806 5.128 ( 1.496 0.864 13.199) 13.311 5.212 ( -17.104 -9.875 1.029) 19.776 5.293 ( 0.660 0.381 -10.168) 10.197 5.330 ( -5.280 -3.049 6.171) 8.675 5.472 ( -4.585 -2.647 -4.635) 7.036 5.757 ( -2.741 -1.582 10.418) 10.888 5.765 ( 3.859 2.228 -2.279) 5.005 6.064 ( 2.562 1.479 -6.366) 7.020 6.071 ( -0.722 -0.417 -0.648) 1.056 6.929 ( 1.155 0.667 20.625) 20.668 7.086 ( 2.820 1.628 3.051) 4.463 7.147 ( 1.552 0.896 -2.519) 3.091 7.198 ( 2.124 1.226 -2.425) 3.449 7.364 ( 3.176 1.834 3.675) 5.192 7.696 ( -3.717 -2.146 -11.076) 11.879 8.152 ( 4.036 2.330 -2.764) 5.418 8.294 ( 0.389 0.225 0.085) 0.457 8.352 ( 2.750 1.588 -1.327) 3.442 8.361 ( 5.662 3.269 -1.618) 6.735 8.457 ( -0.259 -0.150 -1.567) 1.595 8.534 ( -1.764 -1.018 1.485) 2.521 8.590 ( -3.814 -2.202 2.619) 5.124 8.780 ( -7.675 -4.431 0.543) 8.879 9.055 ( -0.851 -0.491 3.062) 3.216 9.111 ( -1.480 -0.854 -2.562) 3.080 9.572 ( 12.094 6.983 10.509) 17.478 10.344 ( -8.158 -4.710 -21.991) 23.924 17.048 ( -2.188 -1.263 1.253) 2.820 17.062 ( -0.415 -0.239 -2.514) 2.559 17.162 ( 0.999 0.577 -1.971) 2.283 17.202 ( -2.416 -1.395 1.727) 3.282 17.541 ( 2.570 1.484 2.817) 4.092 17.629 ( 2.233 1.289 0.759) 2.688 17.762 ( -1.857 -1.072 -0.282) 2.163 17.772 ( 1.470 0.849 -3.247) 3.664 20.481 ( -5.694 -3.287 16.015) 17.313 20.648 ( 2.173 1.255 -14.611) 14.825 21.660 ( -0.120 -0.070 8.822) 8.823 21.800 ( 0.194 0.112 -5.599) 5.603 26.207 ( 2.180 1.259 1.713) 3.045 26.309 ( -0.570 -0.329 -1.930) 2.039 26.486 ( -1.716 -0.991 2.210) 2.968 26.515 ( -0.114 -0.066 -2.353) 2.357 35.543 ( -3.334 -1.925 3.376) 5.121 35.546 ( 0.764 0.441 -5.801) 5.868 35.847 ( 2.802 1.618 9.098) 9.657 36.152 ( 3.405 1.966 -4.763) 6.176 36.158 ( 1.543 0.891 -17.102) 17.195 36.208 ( -7.037 -4.063 8.911) 12.060 37.610 ( 2.558 1.477 28.950) 29.101 38.171 ( 10.039 5.796 -39.555) 41.219 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -3.579 -2.067 2.360) 4.759 1.594 ( 3.579 2.067 -2.360) 4.759 2.000 ( -6.854 -3.957 -17.451) 19.162 2.000 ( 6.854 3.957 17.451) 19.162 2.258 ( -21.355 -12.330 2.380) 24.774 2.258 ( 21.355 12.330 -2.380) 24.774 3.163 ( -4.412 -2.548 -7.759) 9.283 3.163 ( 4.412 2.548 7.759) 9.283 3.737 ( 8.459 4.884 -14.145) 17.190 3.737 ( -8.459 -4.884 14.145) 17.190 3.950 ( -18.024 -10.406 -4.391) 21.270 3.950 ( 18.024 10.406 4.391) 21.270 4.497 ( -21.703 -12.530 4.205) 25.411 4.497 ( 21.703 12.530 -4.205) 25.411 4.974 ( 6.407 3.699 -6.207) 9.657 4.974 ( -6.407 -3.699 6.207) 9.657 5.246 ( 4.211 2.431 -14.432) 15.229 5.246 ( -4.211 -2.431 14.432) 15.229 5.357 ( -1.449 -0.836 -6.104) 6.329 5.357 ( 1.449 0.836 6.104) 6.329 5.786 ( 3.466 2.001 -6.829) 7.916 5.786 ( -3.466 -2.001 6.829) 7.916 6.058 ( 2.305 1.331 -3.734) 4.585 6.058 ( -2.305 -1.331 3.734) 4.585 7.088 ( 2.179 1.258 -12.111) 12.370 7.088 ( -2.179 -1.258 12.111) 12.370 7.184 ( 0.447 0.258 -5.470) 5.494 7.184 ( -0.447 -0.258 5.470) 5.494 7.502 ( -4.476 -2.584 -10.245) 11.475 7.502 ( 4.476 2.584 10.245) 11.475 8.226 ( -5.522 -3.188 0.965) 6.449 8.226 ( 5.522 3.188 -0.965) 6.449 8.396 ( -1.700 -0.981 -0.945) 2.179 8.396 ( 1.700 0.981 0.945) 2.179 8.488 ( -3.433 -1.982 -0.244) 3.971 8.488 ( 3.433 1.982 0.244) 3.971 8.638 ( -6.306 -3.641 -1.168) 7.375 8.638 ( 6.306 3.641 1.168) 7.375 9.072 ( 0.352 0.203 -3.107) 3.134 9.072 ( -0.352 -0.203 3.107) 3.134 9.950 ( -13.049 -7.534 -16.162) 22.096 9.950 ( 13.049 7.534 16.162) 22.096 17.038 ( 0.748 0.432 -2.365) 2.517 17.038 ( -0.748 -0.432 2.365) 2.517 17.176 ( 2.364 1.365 -2.041) 3.408 17.176 ( -2.364 -1.365 2.041) 3.408 17.620 ( -2.016 -1.164 -2.899) 3.718 17.620 ( 2.016 1.164 2.899) 3.718 17.754 ( 0.610 0.352 -3.310) 3.384 17.754 ( -0.610 -0.352 3.310) 3.384 20.551 ( 3.586 2.070 -14.962) 15.525 20.551 ( -3.586 -2.070 14.962) 15.525 21.739 ( 0.205 0.118 -7.338) 7.342 21.739 ( -0.205 -0.118 7.338) 7.342 26.265 ( -1.858 -1.073 -2.080) 2.988 26.265 ( 1.858 1.073 2.080) 2.988 26.492 ( 0.440 0.254 -2.610) 2.659 26.492 ( -0.440 -0.254 2.610) 2.659 35.526 ( 2.547 1.471 -4.436) 5.323 35.526 ( -2.547 -1.471 4.436) 5.323 36.000 ( -2.216 -1.279 -11.915) 12.187 36.000 ( 2.216 1.279 11.915) 12.187 36.176 ( 4.325 2.497 -5.045) 7.098 36.176 ( -4.325 -2.497 5.045) 7.098 37.922 ( 2.400 1.386 -32.519) 32.637 37.922 ( -2.400 -1.386 32.519) 32.637 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 21.634 13.143) 25.313 0.776 ( 0.000 9.678 28.767) 30.351 1.186 ( 0.000 49.005 13.389) 50.801 1.521 ( 0.000 3.504 10.756) 11.313 1.744 ( 0.000 14.131 13.807) 19.756 2.737 ( -0.000 0.942 -6.343) 6.413 2.766 ( -0.000 1.372 -1.330) 1.911 3.550 ( -0.000 -18.552 -5.862) 19.456 3.619 ( -0.000 -1.736 -14.768) 14.870 3.870 ( -0.000 -3.487 -3.974) 5.287 3.905 ( -0.000 -1.114 -3.291) 3.475 4.379 ( 0.000 -14.879 21.467) 26.119 4.633 ( -0.000 -8.050 -4.587) 9.265 4.766 ( 0.000 -12.104 0.519) 12.115 5.008 ( -0.000 -0.152 -7.138) 7.140 5.238 ( -0.000 4.803 -6.693) 8.239 5.333 ( -0.000 10.793 1.325) 10.874 5.367 ( -0.000 -3.454 -14.258) 14.671 5.527 ( 0.000 -2.762 2.130) 3.488 5.560 ( 0.000 -0.741 5.289) 5.341 5.965 ( 0.000 -46.641 37.282) 59.710 6.016 ( 0.000 -5.565 11.571) 12.840 6.065 ( -0.000 0.373 -3.349) 3.370 6.088 ( 0.000 -4.271 2.033) 4.730 6.711 ( 0.000 -3.671 19.351) 19.697 7.012 ( 0.000 -1.843 3.748) 4.177 7.102 ( -0.000 4.173 -0.366) 4.189 7.103 ( 0.000 7.132 5.007) 8.714 7.173 ( -0.000 2.512 -3.786) 4.544 7.821 ( -0.000 -2.017 -3.984) 4.466 8.047 ( -0.000 5.031 -0.937) 5.117 8.182 ( -0.000 2.203 -2.038) 3.001 8.300 ( -0.000 2.029 -2.583) 3.284 8.360 ( 0.000 -1.320 0.634) 1.464 8.397 ( 0.000 -1.081 1.045) 1.504 8.583 ( -0.000 3.229 -0.614) 3.286 8.759 ( 0.000 -3.458 1.648) 3.831 8.923 ( -0.000 -3.840 -6.454) 7.510 8.980 ( 0.000 -2.261 2.463) 3.343 9.247 ( 0.000 -2.382 0.495) 2.433 9.273 ( 0.000 0.428 1.944) 1.990 10.290 ( -0.000 57.115 -52.868) 77.828 17.069 ( -0.000 0.010 -1.508) 1.508 17.106 ( -0.000 2.706 -0.040) 2.707 17.254 ( 0.000 -5.861 -0.578) 5.889 17.302 ( 0.000 -7.350 -0.242) 7.354 17.443 ( -0.000 3.938 -0.766) 4.011 17.484 ( 0.000 2.708 2.201) 3.490 17.742 ( -0.000 3.002 -1.774) 3.487 17.752 ( -0.000 3.680 0.371) 3.699 20.743 ( -0.000 0.496 -13.384) 13.393 20.746 ( 0.000 -30.155 26.245) 39.977 21.569 ( 0.000 0.054 9.474) 9.475 21.843 ( -0.000 -0.008 -3.737) 3.737 26.134 ( 0.000 0.304 1.490) 1.521 26.317 ( -0.000 0.427 -0.807) 0.913 26.543 ( -0.000 -0.397 -1.178) 1.243 26.544 ( 0.000 -1.590 0.780) 1.771 35.638 ( 0.000 0.222 2.912) 2.920 35.647 ( 0.000 -0.972 2.977) 3.132 35.722 ( -0.000 3.790 -1.359) 4.026 35.870 ( -0.000 -2.862 -11.704) 12.049 36.249 ( -0.000 2.749 -15.427) 15.670 36.719 ( 0.000 -12.930 14.624) 19.521 36.856 ( -0.000 35.393 -5.776) 35.861 37.570 ( -0.000 69.301 -49.391) 85.101 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 17.246 14.693 12.384) 25.820 1.174 ( 7.645 7.595 24.586) 26.844 1.527 ( 1.367 15.565 3.013) 15.912 1.755 ( -5.396 22.669 16.070) 28.306 2.230 ( 27.222 23.514 11.084) 37.641 2.588 ( -8.097 -1.095 -8.791) 12.002 2.874 ( 8.932 3.106 4.361) 10.413 3.269 ( -10.666 -16.902 -4.585) 20.505 3.427 ( -1.682 -1.217 -16.769) 16.897 3.763 ( -2.874 -0.515 -7.434) 7.986 3.930 ( 7.754 0.785 -5.056) 9.290 4.279 ( -17.290 -11.624 12.089) 24.088 4.448 ( -8.261 -8.474 -3.139) 12.243 4.754 ( 9.623 -13.470 -1.800) 16.652 4.976 ( 4.544 -2.519 -7.983) 9.525 5.186 ( -3.396 -0.358 -1.428) 3.702 5.215 ( -1.336 4.261 -4.920) 6.644 5.397 ( 2.109 -0.744 -4.998) 5.475 5.480 ( -6.074 -5.127 6.470) 10.249 5.656 ( 1.948 4.862 2.483) 5.797 5.911 ( -6.339 -16.320 18.477) 25.454 5.951 ( -9.389 -5.644 2.487) 11.233 6.036 ( -5.078 -1.895 1.691) 5.678 6.078 ( -1.554 -1.507 3.665) 4.257 6.891 ( 0.677 -2.037 21.062) 21.171 7.028 ( 0.429 1.377 -0.213) 1.458 7.143 ( -0.223 4.857 1.874) 5.211 7.157 ( 0.592 3.653 -3.372) 5.007 7.246 ( 4.232 3.503 4.497) 7.099 7.760 ( -0.480 -1.492 -6.844) 7.021 8.115 ( 2.102 5.531 -1.953) 6.231 8.142 ( -0.376 4.984 -2.818) 5.738 8.287 ( 0.148 1.963 -3.348) 3.884 8.350 ( -0.603 -1.554 1.190) 2.048 8.422 ( 3.863 -2.092 -1.536) 4.654 8.575 ( -3.194 3.163 0.399) 4.513 8.723 ( -3.213 -4.653 2.446) 6.160 8.912 ( 6.544 -5.270 -2.671) 8.817 8.971 ( -0.319 -3.605 2.282) 4.278 9.196 ( -3.188 -2.367 -0.753) 4.042 9.336 ( 4.103 2.486 3.623) 6.012 10.285 ( 9.636 20.175 -34.838) 41.396 17.021 ( -1.906 -2.660 -0.761) 3.360 17.140 ( -2.326 2.667 -1.316) 3.775 17.183 ( 0.609 -4.203 0.138) 4.249 17.257 ( 0.186 -4.873 -0.474) 4.900 17.460 ( 1.165 0.545 1.123) 1.707 17.562 ( 3.638 2.785 1.951) 4.980 17.737 ( -0.676 2.235 -1.440) 2.743 17.797 ( -0.018 4.226 -0.347) 4.241 20.611 ( 0.578 0.674 -14.224) 14.251 20.707 ( -8.552 -14.616 19.482) 25.813 21.663 ( -0.054 0.030 8.931) 8.932 21.796 ( 0.047 0.041 -5.551) 5.551 26.161 ( 0.854 1.129 1.672) 2.190 26.312 ( 0.067 0.454 -1.211) 1.295 26.523 ( -0.306 -0.412 -1.763) 1.836 26.532 ( -1.075 -1.830 1.265) 2.470 35.577 ( -3.413 -0.154 -6.020) 6.921 35.648 ( -4.015 0.248 2.894) 4.955 35.748 ( 3.343 1.870 4.527) 5.930 35.928 ( 11.105 -2.807 -2.991) 11.838 36.122 ( 0.444 0.886 -12.062) 12.102 36.542 ( -16.477 -0.811 6.798) 17.842 37.320 ( 25.166 13.840 -2.812) 28.858 37.737 ( 9.772 31.389 -22.424) 39.795 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 11.407 10.298 9.145) 17.883 1.582 ( 10.938 10.329 14.753) 21.070 1.669 ( 2.766 4.929 4.976) 7.530 1.999 ( -0.540 16.636 9.560) 19.195 2.316 ( -13.222 -2.864 -11.223) 17.578 2.779 ( 6.166 3.984 3.481) 8.125 2.939 ( -2.722 -5.373 -5.983) 8.490 3.208 ( 10.481 2.387 3.205) 11.217 3.272 ( 8.231 7.520 -1.894) 11.309 3.665 ( -0.667 8.961 -9.961) 13.416 4.002 ( 3.682 2.047 -3.556) 5.513 4.081 ( -6.384 -10.946 6.478) 14.232 4.258 ( -6.170 -8.313 -0.807) 10.383 4.716 ( 3.338 -8.466 -4.047) 9.959 4.911 ( 2.081 -4.698 -6.606) 8.369 5.156 ( 1.104 1.993 -7.709) 8.038 5.242 ( 0.880 -1.255 7.593) 7.746 5.313 ( -3.156 -4.275 -5.687) 7.783 5.430 ( -6.793 -6.486 10.012) 13.728 5.663 ( -14.930 -0.114 3.259) 15.282 5.740 ( -6.628 -0.610 -2.002) 6.951 5.894 ( -3.932 -2.765 4.101) 6.319 5.993 ( 1.390 -4.513 2.862) 5.521 6.105 ( -1.736 -0.693 7.136) 7.377 7.018 ( 1.627 1.290 -6.876) 7.183 7.089 ( 1.365 -2.136 14.618) 14.836 7.163 ( 1.492 5.073 -4.700) 7.075 7.233 ( -2.370 6.746 7.587) 10.425 7.365 ( 5.219 0.709 5.877) 7.891 7.628 ( -4.502 -1.418 -9.796) 10.874 8.105 ( 1.648 2.750 -2.839) 4.282 8.260 ( 6.018 7.458 -1.541) 9.706 8.283 ( 3.627 -0.524 -2.967) 4.716 8.341 ( -0.805 -0.673 0.524) 1.173 8.442 ( 1.734 2.591 -1.746) 3.574 8.545 ( -1.600 -2.442 -0.226) 2.928 8.656 ( -4.444 -3.992 2.559) 6.499 8.861 ( -6.603 -4.304 1.633) 8.049 9.009 ( 5.953 -5.843 1.329) 8.446 9.122 ( -2.846 -2.507 -0.991) 3.920 9.544 ( 12.927 7.725 7.099) 16.649 10.139 ( -0.008 3.619 -25.144) 25.403 16.974 ( 0.724 -4.379 -1.122) 4.578 17.072 ( -2.240 -5.889 1.061) 6.389 17.190 ( -1.511 4.919 -2.560) 5.748 17.227 ( 0.019 -2.883 1.112) 3.090 17.520 ( 4.618 0.806 1.566) 4.942 17.656 ( 2.614 3.922 2.310) 5.249 17.722 ( -0.842 0.541 -2.103) 2.328 17.800 ( -2.746 2.846 -0.535) 3.991 20.489 ( 1.196 0.833 -13.612) 13.690 20.696 ( -6.514 -7.219 16.471) 19.127 21.734 ( 0.113 0.134 -7.222) 7.224 21.744 ( -0.142 -0.033 7.365) 7.366 26.209 ( 1.775 1.499 1.967) 3.044 26.298 ( -0.552 0.029 -1.620) 1.712 26.494 ( -0.406 -0.347 -2.283) 2.345 26.518 ( -1.167 -1.360 1.922) 2.628 35.493 ( -0.275 0.585 -5.533) 5.571 35.623 ( -4.160 -0.571 3.543) 5.495 35.867 ( 5.633 2.825 1.835) 6.563 35.975 ( 3.002 1.636 -10.641) 11.176 36.081 ( 3.891 -4.095 5.083) 7.599 36.397 ( -11.342 -4.271 6.361) 13.687 37.609 ( 20.614 12.893 -29.420) 38.167 37.917 ( 1.101 11.332 15.513) 19.243 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 3.136 5.257 2.074) 6.463 1.714 ( -5.972 4.505 3.856) 8.416 1.897 ( -8.860 0.711 -19.129) 21.093 1.991 ( 13.411 0.917 10.309) 16.941 2.238 ( -2.350 8.421 5.631) 10.399 2.516 ( -18.233 -4.265 5.138) 19.417 3.098 ( -0.249 0.684 -11.725) 11.748 3.137 ( 12.485 3.579 3.478) 13.446 3.506 ( 6.720 0.233 -8.281) 10.667 3.831 ( 4.376 -2.042 2.598) 5.484 3.934 ( -1.493 2.275 8.725) 9.140 4.065 ( -6.306 -6.591 1.224) 9.203 4.273 ( 18.178 12.426 -3.039) 22.227 4.639 ( -3.074 -8.295 -0.301) 8.851 4.870 ( 0.434 3.218 -4.637) 5.661 5.035 ( -8.207 -9.573 -4.722) 13.464 5.119 ( -2.416 0.562 -4.812) 5.414 5.312 ( -1.320 -4.065 -3.740) 5.679 5.389 ( 0.362 -2.152 8.548) 8.822 5.517 ( -11.787 -1.128 13.838) 18.212 5.705 ( 1.505 1.383 -5.161) 5.551 5.848 ( -1.122 0.454 -3.487) 3.691 6.039 ( 1.210 -3.284 6.959) 7.789 6.145 ( -3.264 -1.107 8.686) 9.345 6.930 ( 0.430 -0.998 -14.464) 14.505 7.147 ( 0.448 5.208 -6.377) 8.245 7.197 ( -2.418 -1.349 7.156) 7.673 7.283 ( -3.955 3.550 3.690) 6.471 7.450 ( -4.351 -2.511 -7.482) 9.012 7.558 ( 6.441 2.612 11.088) 13.087 8.166 ( 5.691 3.569 -0.739) 6.758 8.282 ( -3.728 -1.920 1.169) 4.354 8.326 ( 6.580 -1.168 -1.280) 6.805 8.370 ( 1.852 1.255 -1.608) 2.755 8.483 ( 1.329 4.991 -0.809) 5.228 8.507 ( -0.851 0.164 -2.156) 2.323 8.623 ( 0.918 -1.155 2.746) 3.117 8.721 ( -9.941 -4.303 0.917) 10.871 9.020 ( 1.482 -3.655 -2.258) 4.545 9.087 ( 0.795 -3.689 3.180) 4.935 9.865 ( -6.705 -2.663 -18.157) 19.538 9.932 ( 18.207 8.727 10.449) 22.734 16.951 ( 3.053 -4.047 -1.636) 5.327 17.021 ( 0.328 -6.745 1.546) 6.928 17.175 ( -1.357 3.271 -2.104) 4.119 17.233 ( -0.106 0.154 2.293) 2.300 17.611 ( 3.350 2.888 0.046) 4.423 17.670 ( -3.967 0.852 -0.857) 4.147 17.728 ( -0.404 4.041 -0.600) 4.105 17.780 ( -0.145 -0.817 1.985) 2.152 20.386 ( 1.803 0.916 -12.468) 12.631 20.738 ( -4.274 -3.687 14.978) 16.006 21.657 ( 0.086 0.206 -8.572) 8.575 21.806 ( -0.198 -0.084 5.540) 5.544 26.263 ( -1.632 -0.603 -1.657) 2.403 26.270 ( 2.057 1.397 2.300) 3.387 26.463 ( -0.072 -0.176 -2.607) 2.614 26.520 ( -0.477 -0.516 2.242) 2.349 35.468 ( 2.012 1.536 -3.776) 4.546 35.604 ( -3.102 -0.330 3.936) 5.022 35.883 ( -0.051 -1.038 -9.413) 9.470 35.970 ( 6.583 4.503 -5.138) 9.487 36.207 ( 1.985 -3.233 15.357) 15.819 36.289 ( -7.318 -6.066 6.520) 11.527 37.554 ( 7.945 8.349 -33.222) 35.165 38.232 ( 2.487 5.156 25.601) 26.233 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -12.195 -8.974 -22.373) 27.015 1.580 ( -13.865 -7.741 0.249) 15.882 1.763 ( -8.257 7.093 6.095) 12.476 1.975 ( -20.987 4.992 -5.578) 22.282 2.420 ( 20.863 4.985 5.253) 22.084 2.583 ( 2.329 7.333 10.185) 12.764 2.984 ( -0.708 -0.450 -8.743) 8.783 3.348 ( -1.688 -8.436 3.576) 9.317 3.421 ( 0.984 -5.837 -6.867) 9.066 3.666 ( -5.410 -1.499 -5.244) 7.682 3.957 ( -8.690 2.023 6.203) 10.867 4.104 ( 6.976 6.283 0.082) 9.389 4.414 ( -13.250 -9.668 5.361) 17.256 4.649 ( 13.212 3.540 2.061) 13.833 4.849 ( 9.514 -3.999 -7.627) 12.832 5.015 ( 7.458 6.176 -7.953) 12.530 5.104 ( 4.954 4.694 0.952) 6.891 5.256 ( 3.509 2.920 -4.487) 6.401 5.447 ( -0.618 -1.787 2.820) 3.396 5.528 ( -5.082 -4.289 14.046) 15.540 5.692 ( -0.481 0.581 -0.037) 0.756 5.805 ( -1.413 0.302 -2.245) 2.670 6.098 ( 0.167 -1.082 5.996) 6.096 6.171 ( -4.185 -1.000 8.493) 9.521 6.724 ( -1.681 -2.787 -20.296) 20.555 7.084 ( -4.832 5.780 -8.524) 11.376 7.191 ( -1.366 -2.593 1.968) 3.531 7.265 ( -4.414 1.362 0.988) 4.724 7.361 ( -1.664 -2.226 0.184) 2.785 7.760 ( 4.704 1.861 8.859) 10.202 8.224 ( -4.275 -1.676 2.573) 5.264 8.273 ( 4.456 2.010 0.505) 4.914 8.352 ( 0.287 -2.403 -0.399) 2.452 8.416 ( 3.113 -0.751 0.990) 3.352 8.455 ( 0.534 1.383 -1.858) 2.377 8.519 ( -4.730 1.015 -0.528) 4.866 8.572 ( -3.064 -0.260 -0.975) 3.226 8.717 ( 6.248 3.311 1.049) 7.149 8.982 ( 2.096 -3.858 -3.176) 5.419 9.125 ( 1.675 -1.390 3.995) 4.549 9.560 ( -9.541 -3.895 -12.250) 16.008 10.380 ( 18.973 6.902 12.920) 23.969 16.967 ( 5.338 -2.111 -1.591) 5.957 17.001 ( 2.531 -6.825 1.265) 7.388 17.171 ( 0.795 1.496 -1.342) 2.161 17.270 ( -1.403 3.793 3.530) 5.368 17.559 ( -5.633 -0.204 -2.720) 6.259 17.656 ( -3.035 2.148 -1.896) 4.173 17.744 ( 2.007 0.233 1.527) 2.533 17.820 ( 0.206 1.070 2.821) 3.024 20.302 ( 2.198 0.826 -11.281) 11.523 20.813 ( -2.648 -1.747 13.326) 13.698 21.569 ( -0.066 0.192 -9.062) 9.064 21.849 ( -0.189 -0.086 3.707) 3.712 26.214 ( -2.282 -0.802 -1.251) 2.723 26.325 ( 0.863 0.705 2.330) 2.583 26.445 ( 1.498 0.322 -2.501) 2.933 26.537 ( -0.009 -0.033 1.936) 1.937 35.489 ( 3.074 2.008 -2.185) 4.273 35.621 ( -1.073 0.882 5.078) 5.265 35.777 ( -1.755 -1.838 -6.458) 6.940 36.016 ( 6.275 2.184 -8.831) 11.051 36.227 ( -2.674 -4.317 4.696) 6.916 36.382 ( -1.245 -2.634 21.456) 21.653 37.338 ( 0.346 4.258 -30.037) 30.340 38.559 ( 2.016 2.546 26.951) 27.146 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -15.246 -6.766 -19.790) 25.882 1.215 ( -23.257 -12.104 -2.616) 26.348 1.670 ( -13.683 2.228 -3.260) 14.241 1.761 ( -19.397 10.866 6.954) 23.295 2.688 ( -27.231 -11.483 -3.405) 29.748 2.707 ( -11.874 -4.315 1.282) 12.699 2.827 ( 13.567 3.352 0.009) 13.975 2.939 ( 8.832 0.627 -6.307) 10.871 3.587 ( 6.214 1.693 7.675) 10.019 3.677 ( 9.166 1.489 -5.921) 11.013 3.960 ( -3.250 10.148 0.225) 10.658 4.142 ( -2.660 -12.042 1.045) 12.377 4.368 ( 4.327 6.842 5.980) 10.064 4.716 ( 3.766 -8.507 -7.941) 12.231 4.933 ( 11.880 3.865 -0.861) 12.523 5.067 ( 5.738 -1.265 -1.415) 6.044 5.276 ( 9.720 2.652 -0.802) 10.108 5.357 ( 0.442 2.313 -0.166) 2.361 5.465 ( 5.373 11.112 -3.397) 12.801 5.546 ( 1.920 -10.117 5.876) 11.856 5.689 ( -4.122 2.305 1.924) 5.099 5.759 ( -6.321 -1.163 2.898) 7.050 6.138 ( -0.978 -0.273 3.670) 3.808 6.178 ( -4.236 -0.433 5.282) 6.785 6.490 ( -0.005 -1.542 -16.436) 16.508 6.981 ( -3.275 2.306 -5.207) 6.570 7.166 ( -1.493 -1.193 -0.469) 1.968 7.217 ( -4.401 -0.004 0.796) 4.472 7.319 ( -3.712 -1.317 0.875) 4.035 7.879 ( 1.318 0.203 4.343) 4.543 8.195 ( -2.876 -0.261 2.065) 3.550 8.276 ( -6.261 0.638 0.572) 6.319 8.341 ( -0.830 -1.944 -0.307) 2.136 8.357 ( -2.720 -0.786 0.665) 2.908 8.440 ( 0.646 -2.740 -1.577) 3.227 8.558 ( 2.175 3.596 1.497) 4.461 8.595 ( 5.055 1.669 -0.911) 5.401 8.835 ( 5.704 3.020 0.229) 6.458 8.959 ( 3.532 -4.161 -2.402) 5.963 9.182 ( 1.417 0.896 3.142) 3.561 9.329 ( -5.995 -2.279 -6.135) 8.875 10.806 ( 16.959 3.890 12.682) 21.531 17.004 ( 3.328 -4.422 0.595) 5.566 17.039 ( 7.942 -0.650 -0.719) 8.001 17.193 ( 2.261 0.653 -0.706) 2.457 17.306 ( -5.623 6.455 3.794) 9.364 17.462 ( -1.435 -3.284 -2.370) 4.296 17.594 ( -4.249 0.755 -1.451) 4.553 17.773 ( 0.300 -1.468 1.171) 1.902 17.844 ( -1.815 1.756 1.720) 3.055 20.230 ( 1.746 0.428 -9.513) 9.681 20.891 ( -1.609 -0.628 9.185) 9.346 21.484 ( -0.202 0.090 -7.009) 7.012 21.874 ( -0.137 -0.046 1.877) 1.882 26.167 ( -2.289 -0.527 -0.668) 2.442 26.342 ( -0.867 -0.028 0.972) 1.303 26.466 ( 3.278 0.633 -1.018) 3.490 26.554 ( 0.031 0.044 1.129) 1.131 35.533 ( 2.975 1.588 -0.789) 3.464 35.682 ( -0.182 0.875 -1.982) 2.174 35.687 ( -1.873 -0.091 3.766) 4.207 36.012 ( 6.163 -3.672 -6.174) 9.465 36.242 ( 1.893 1.723 1.119) 2.794 36.553 ( -4.385 -1.842 23.462) 23.939 37.043 ( -4.264 1.232 -27.077) 27.438 38.874 ( 2.849 1.070 26.125) 26.301 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -17.462 -0.000 0.000) 17.462 0.777 ( -27.462 -0.000 0.000) 27.462 1.439 ( -22.619 -0.000 0.000) 22.619 1.626 ( -14.517 -0.000 0.000) 14.517 1.872 ( -46.955 -0.000 0.000) 46.955 2.766 ( 0.728 0.000 -0.000) 0.728 2.847 ( 0.284 0.000 -0.000) 0.284 3.219 ( 21.845 0.000 -0.000) 21.845 3.741 ( 4.373 0.000 -0.000) 4.373 3.745 ( 8.345 0.000 -0.000) 8.345 3.983 ( -4.371 -0.000 0.000) 4.371 4.025 ( -2.482 -0.000 0.000) 2.482 4.589 ( 11.916 0.000 -0.000) 11.916 4.649 ( 4.945 0.000 -0.000) 4.945 5.060 ( 4.788 0.000 -0.000) 4.788 5.145 ( 2.260 0.000 -0.000) 2.260 5.314 ( -1.138 -0.000 0.000) 1.138 5.410 ( 8.443 0.000 -0.000) 8.443 5.520 ( -5.398 -0.000 0.000) 5.398 5.592 ( 2.603 0.000 -0.000) 2.603 5.647 ( -8.493 -0.000 0.000) 8.493 5.691 ( 5.110 0.000 -0.000) 5.110 6.137 ( -1.221 -0.000 0.000) 1.221 6.151 ( -2.909 -0.000 0.000) 2.909 6.426 ( 3.246 0.000 -0.000) 3.246 6.944 ( 0.253 0.000 -0.000) 0.253 7.115 ( -4.497 -0.000 0.000) 4.497 7.162 ( -4.154 -0.000 0.000) 4.154 7.257 ( -4.693 -0.000 0.000) 4.693 7.895 ( -1.144 -0.000 0.000) 1.144 8.132 ( -7.039 -0.000 0.000) 7.039 8.206 ( -3.276 -0.000 0.000) 3.276 8.340 ( -1.058 -0.000 0.000) 1.058 8.345 ( 1.962 0.000 -0.000) 1.962 8.411 ( -1.777 -0.000 0.000) 1.777 8.582 ( -0.214 -0.000 0.000) 0.214 8.689 ( 5.701 0.000 -0.000) 5.701 8.916 ( 3.830 0.000 -0.000) 3.830 8.979 ( 3.716 0.000 -0.000) 3.716 9.233 ( 1.294 0.000 -0.000) 1.294 9.236 ( -0.864 -0.000 0.000) 0.864 11.128 ( 14.351 0.000 -0.000) 14.351 17.034 ( 3.179 0.000 -0.000) 3.179 17.156 ( 9.023 0.000 -0.000) 9.023 17.189 ( -4.498 -0.000 0.000) 4.498 17.304 ( 0.865 0.000 -0.000) 0.865 17.438 ( 0.648 0.000 -0.000) 0.648 17.533 ( -3.839 -0.000 0.000) 3.839 17.760 ( -1.677 -0.000 0.000) 1.677 17.826 ( -3.115 -0.000 0.000) 3.115 20.180 ( -0.017 -0.000 0.000) 0.017 20.921 ( -1.004 -0.000 0.000) 1.004 21.443 ( -0.155 -0.000 0.000) 0.155 21.882 ( -0.086 -0.000 0.000) 0.086 26.132 ( -1.838 -0.000 0.000) 1.838 26.333 ( -0.813 -0.000 0.000) 0.813 26.509 ( 2.815 0.000 -0.000) 2.815 26.560 ( -0.038 -0.000 0.000) 0.038 35.573 ( 2.238 0.000 -0.000) 2.238 35.631 ( -1.707 -0.000 0.000) 1.707 35.724 ( -0.891 -0.000 0.000) 0.891 36.056 ( 8.375 0.000 -0.000) 8.375 36.313 ( 5.357 0.000 -0.000) 5.357 36.687 ( -10.146 -0.000 0.000) 10.146 36.725 ( -3.951 -0.000 0.000) 3.951 39.127 ( 6.595 0.000 -0.000) 6.595 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 21.696 14.787) 26.256 1.388 ( 0.000 -0.437 20.960) 20.965 1.668 ( -0.000 17.339 2.402) 17.505 2.132 ( -0.000 11.865 -0.836) 11.894 2.307 ( 0.000 29.747 12.061) 32.099 2.639 ( 0.000 4.288 1.394) 4.509 2.864 ( 0.000 4.312 7.877) 8.980 3.161 ( -0.000 -15.378 -4.595) 16.050 3.252 ( -0.000 1.409 -17.656) 17.712 3.765 ( -0.000 3.117 -3.322) 4.555 3.782 ( -0.000 0.086 -9.257) 9.257 4.325 ( -0.000 -11.241 -3.341) 11.727 4.408 ( -0.000 -19.707 -5.530) 20.468 4.629 ( 0.000 -4.839 12.307) 13.224 4.809 ( -0.000 -7.426 -7.331) 10.435 5.154 ( -0.000 0.597 -5.968) 5.998 5.208 ( -0.000 3.247 -2.471) 4.081 5.332 ( -0.000 -6.109 -3.111) 6.855 5.586 ( 0.000 -2.146 8.952) 9.206 5.686 ( -0.000 4.586 -2.525) 5.235 5.909 ( -0.000 -3.282 -5.657) 6.540 5.909 ( 0.000 -12.375 6.627) 14.038 6.166 ( 0.000 -6.097 13.526) 14.837 6.190 ( 0.000 -2.157 8.416) 8.688 7.034 ( 0.000 -1.210 4.744) 4.896 7.046 ( -0.000 2.836 -0.745) 2.932 7.120 ( 0.000 1.423 4.296) 4.526 7.213 ( 0.000 2.438 5.223) 5.764 7.326 ( 0.000 5.300 6.171) 8.135 7.703 ( -0.000 0.142 -5.048) 5.050 8.126 ( -0.000 -0.353 -4.132) 4.147 8.144 ( -0.000 9.825 -1.730) 9.976 8.321 ( -0.000 5.696 -2.875) 6.380 8.321 ( -0.000 -3.885 -3.406) 5.167 8.359 ( 0.000 -1.392 2.262) 2.656 8.646 ( 0.000 -2.378 2.316) 3.319 8.706 ( -0.000 -3.831 -7.600) 8.511 8.743 ( 0.000 -3.015 3.849) 4.890 8.992 ( 0.000 -3.235 2.903) 4.347 9.176 ( -0.000 -5.263 -1.550) 5.487 9.360 ( 0.000 4.552 2.948) 5.423 10.082 ( -0.000 18.147 -27.062) 32.584 17.032 ( -0.000 -0.287 -1.832) 1.854 17.155 ( 0.000 -9.803 -0.199) 9.805 17.156 ( 0.000 -4.016 0.230) 4.023 17.174 ( -0.000 4.594 -0.448) 4.615 17.494 ( -0.000 2.921 0.233) 2.931 17.540 ( 0.000 -2.252 2.629) 3.462 17.748 ( -0.000 1.785 -1.522) 2.346 17.854 ( -0.000 7.026 1.004) 7.097 20.474 ( -0.000 0.646 -13.212) 13.228 20.820 ( 0.000 -13.728 16.041) 21.113 21.733 ( -0.000 0.040 -7.088) 7.088 21.746 ( 0.000 0.003 7.368) 7.368 26.183 ( 0.000 1.368 1.863) 2.311 26.304 ( -0.000 0.534 -1.300) 1.406 26.502 ( -0.000 -0.658 -1.935) 2.044 26.537 ( 0.000 -1.917 1.433) 2.394 35.519 ( -0.000 -3.102 -7.388) 8.013 35.708 ( 0.000 1.402 0.594) 1.523 35.769 ( -0.000 7.639 -2.208) 7.952 35.886 ( 0.000 -0.976 11.044) 11.087 36.012 ( -0.000 -2.352 -6.398) 6.816 36.727 ( 0.000 -15.996 9.070) 18.389 37.070 ( -0.000 38.466 -31.803) 49.911 37.897 ( 0.000 16.410 12.209) 20.453 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 3.858 15.084 10.988) 19.056 1.576 ( 7.363 -1.188 8.915) 11.623 1.846 ( -1.525 18.270 4.904) 18.978 2.134 ( -4.522 7.650 -4.618) 10.015 2.438 ( -3.481 0.750 -1.676) 3.936 2.768 ( 0.400 10.295 3.760) 10.967 2.966 ( -9.992 -5.954 2.353) 11.867 3.066 ( 5.876 2.390 -10.390) 12.173 3.226 ( 11.323 6.673 7.514) 15.139 3.686 ( 2.323 9.895 -7.821) 12.825 3.840 ( 5.861 5.364 -4.395) 9.080 4.162 ( -7.182 -16.489 0.348) 17.988 4.194 ( -0.260 -9.632 -3.148) 10.137 4.643 ( -2.363 -4.262 0.707) 4.924 4.779 ( 4.806 -6.267 3.077) 8.476 5.077 ( -0.737 -1.873 -7.350) 7.621 5.224 ( 0.777 -5.192 -6.161) 8.095 5.255 ( 2.865 -2.180 3.424) 4.969 5.606 ( -7.046 -2.797 7.341) 10.552 5.676 ( 0.184 1.065 -2.200) 2.451 5.801 ( -1.728 -1.591 -7.136) 7.513 5.948 ( 4.927 -8.074 8.429) 12.669 6.108 ( -17.832 -1.487 5.459) 18.708 6.241 ( -2.826 -2.168 11.611) 12.145 6.947 ( -1.676 0.346 -10.738) 10.874 7.089 ( 2.915 3.864 -3.597) 6.030 7.233 ( -0.725 1.016 10.353) 10.428 7.348 ( 7.174 1.171 7.859) 10.706 7.399 ( -3.152 3.578 6.455) 8.026 7.621 ( -5.848 1.007 -5.572) 8.140 8.080 ( 0.171 0.907 -3.253) 3.381 8.209 ( 0.699 -0.573 -3.942) 4.044 8.249 ( 2.354 8.874 -1.952) 9.386 8.353 ( 0.211 -1.885 1.317) 2.309 8.409 ( 4.113 4.210 -1.340) 6.037 8.549 ( -3.627 -2.067 -1.809) 4.550 8.672 ( -0.206 -7.249 0.571) 7.274 8.830 ( 7.617 -3.021 3.033) 8.737 8.965 ( -3.584 -3.327 2.246) 5.381 9.100 ( -1.048 -5.656 -2.337) 6.209 9.499 ( 9.237 6.913 4.119) 12.251 9.951 ( -0.179 7.466 -21.152) 22.431 16.971 ( -4.091 -1.398 -0.905) 4.417 17.047 ( -1.993 -8.681 0.460) 8.919 17.171 ( 3.970 -3.722 -0.192) 5.445 17.226 ( -0.129 6.551 -1.511) 6.724 17.495 ( 0.873 -0.093 1.569) 1.798 17.607 ( 5.852 -1.042 1.030) 6.033 17.742 ( -0.426 1.317 -0.881) 1.640 17.896 ( -3.861 6.603 1.001) 7.714 20.358 ( 0.393 0.564 -11.202) 11.223 20.855 ( -3.092 -8.550 14.313) 16.957 21.656 ( -0.004 0.181 -8.235) 8.237 21.810 ( -0.077 -0.043 5.479) 5.480 26.221 ( 1.058 1.533 2.009) 2.739 26.291 ( -0.452 0.279 -1.330) 1.432 26.474 ( -0.380 -0.646 -2.134) 2.262 26.535 ( -0.395 -1.405 1.605) 2.169 35.434 ( 0.470 -1.383 -5.274) 5.472 35.687 ( -1.894 1.815 -2.749) 3.799 35.828 ( 2.018 5.454 -2.475) 6.320 35.921 ( -2.707 0.058 0.641) 2.783 36.077 ( 6.497 -3.665 13.247) 15.202 36.561 ( -11.551 -8.718 3.419) 14.870 37.171 ( 16.317 20.316 -29.300) 39.211 38.167 ( 1.346 11.124 17.004) 20.364 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.595 0.721 -8.663) 8.838 1.791 ( 6.220 5.759 5.987) 10.378 1.984 ( -1.824 11.643 4.738) 12.702 2.034 ( -10.281 3.329 1.442) 10.902 2.398 ( -7.303 -0.599 3.380) 8.070 2.720 ( -2.300 0.482 -3.301) 4.052 2.933 ( 0.387 3.593 -6.863) 7.756 3.058 ( 4.548 3.160 2.066) 5.911 3.386 ( 4.466 -3.541 -2.722) 6.316 3.801 ( -5.353 -3.881 -3.672) 7.563 3.941 ( 16.442 -3.322 0.725) 16.790 4.067 ( 0.327 7.579 5.229) 9.213 4.177 ( 5.855 5.741 1.567) 8.348 4.590 ( -0.555 -4.390 0.778) 4.493 4.848 ( 4.478 0.530 3.617) 5.781 4.957 ( -2.030 -2.803 -9.265) 9.891 5.137 ( 1.425 -3.314 -5.217) 6.343 5.307 ( -1.561 -4.014 2.998) 5.248 5.453 ( -13.555 -10.200 1.886) 17.069 5.641 ( 1.742 -0.878 -3.851) 4.317 5.777 ( 0.973 3.967 0.061) 4.085 5.886 ( -17.483 -0.761 7.704) 19.121 6.055 ( 4.059 -4.045 8.394) 10.164 6.289 ( -3.722 -1.268 9.575) 10.351 6.779 ( -2.387 -1.503 -16.695) 16.932 7.117 ( 1.840 5.074 -4.327) 6.917 7.305 ( -3.302 1.559 5.679) 6.751 7.391 ( -3.766 1.426 2.009) 4.501 7.455 ( -8.510 -0.512 -5.084) 9.926 7.576 ( 7.854 1.266 8.713) 11.799 8.110 ( 4.913 2.813 -1.091) 5.765 8.207 ( 5.829 -2.071 -1.576) 6.384 8.317 ( -0.725 2.223 -0.504) 2.392 8.363 ( 0.182 1.163 0.989) 1.537 8.470 ( 2.625 1.071 -3.321) 4.366 8.510 ( -0.430 5.328 -0.565) 5.375 8.621 ( 0.198 -5.358 2.172) 5.785 8.840 ( -8.040 -2.276 1.773) 8.542 8.936 ( 2.323 -5.153 -0.248) 5.658 9.045 ( 2.935 -5.090 0.617) 5.908 9.760 ( -2.366 1.263 -13.314) 13.582 9.812 ( 16.944 6.753 3.343) 18.544 16.906 ( -1.781 -2.055 -0.571) 2.779 16.972 ( -0.336 -7.168 0.577) 7.199 17.210 ( 4.240 -1.259 0.714) 4.480 17.218 ( -3.622 3.480 -1.600) 5.272 17.570 ( 5.687 2.157 0.729) 6.126 17.655 ( 1.598 -1.536 -1.272) 2.556 17.763 ( 2.445 0.619 1.356) 2.864 17.871 ( -7.566 5.259 0.910) 9.259 20.269 ( 0.524 0.397 -8.576) 8.602 20.896 ( -2.959 -4.412 12.530) 13.610 21.572 ( -0.135 0.340 -8.507) 8.515 21.853 ( -0.128 -0.066 3.604) 3.607 26.267 ( -1.350 -0.163 -1.134) 1.771 26.275 ( 1.989 1.398 2.126) 3.230 26.440 ( -0.569 -0.553 -2.247) 2.383 26.539 ( -0.123 -0.600 1.551) 1.668 35.408 ( 2.515 0.053 -3.120) 4.008 35.654 ( -0.793 1.833 -2.214) 2.981 35.813 ( -0.966 -3.195 -1.641) 3.720 35.933 ( -1.135 7.333 -1.511) 7.572 36.272 ( 4.001 -5.893 12.808) 14.655 36.412 ( -5.748 -6.269 8.488) 12.016 37.190 ( 10.199 11.263 -28.632) 32.414 38.445 ( 4.040 6.946 16.139) 18.029 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -13.581 -3.691 -12.919) 19.104 1.795 ( -16.140 0.175 2.664) 16.359 1.958 ( -8.832 2.770 1.668) 9.405 2.197 ( 14.572 5.345 4.612) 16.192 2.271 ( -10.027 2.752 0.585) 10.414 2.748 ( -3.141 6.035 5.389) 8.679 2.865 ( 1.738 -0.291 -9.558) 9.719 3.252 ( 12.088 4.098 0.060) 12.764 3.308 ( -2.136 -11.947 -0.420) 12.144 3.640 ( -1.274 -4.309 -4.595) 6.427 4.056 ( 3.091 -3.468 3.899) 6.065 4.141 ( -0.820 4.788 0.464) 4.880 4.469 ( 11.599 10.077 2.676) 15.596 4.591 ( 0.376 -4.926 6.387) 8.075 4.758 ( -9.651 -3.028 -9.186) 13.664 4.966 ( -4.945 4.846 -1.245) 7.035 5.080 ( 0.761 0.907 1.352) 1.798 5.157 ( 5.345 -1.536 -4.413) 7.099 5.374 ( 4.287 -7.107 -0.090) 8.301 5.650 ( -1.267 -3.754 4.704) 6.150 5.727 ( -2.027 2.141 -6.503) 7.140 5.882 ( -4.421 1.605 12.312) 13.179 6.157 ( 0.132 -0.411 9.343) 9.353 6.308 ( -4.128 -0.532 6.052) 7.345 6.532 ( -2.945 -2.798 -19.502) 19.920 7.132 ( -1.355 8.761 -5.638) 10.506 7.210 ( -7.951 -5.074 -0.319) 9.438 7.349 ( -5.273 -0.046 1.339) 5.440 7.381 ( -1.312 0.124 1.081) 1.705 7.756 ( 7.237 0.650 4.423) 8.506 8.207 ( 6.680 1.101 -0.189) 6.772 8.288 ( -3.362 -0.734 1.050) 3.598 8.298 ( 7.241 0.040 0.080) 7.241 8.365 ( 0.262 -1.298 1.663) 2.126 8.442 ( -0.990 1.189 -3.846) 4.145 8.560 ( 1.395 3.042 0.335) 3.363 8.676 ( 1.950 2.461 1.408) 3.441 8.690 ( -9.228 -1.382 0.905) 9.375 8.888 ( 1.007 -5.253 -2.807) 6.041 9.104 ( 4.865 -2.284 3.105) 6.207 9.552 ( -7.957 -0.739 -8.592) 11.734 10.209 ( 23.661 4.089 4.739) 24.475 16.886 ( 1.969 -1.400 -0.504) 2.469 16.937 ( 1.229 -4.349 0.386) 4.536 17.180 ( -2.104 1.163 -0.832) 2.544 17.281 ( 4.756 0.584 1.286) 4.961 17.599 ( -3.380 -0.469 -1.745) 3.832 17.684 ( 4.317 2.707 0.032) 5.096 17.773 ( -5.584 -1.083 0.618) 5.722 17.843 ( 0.090 2.549 1.572) 2.996 20.207 ( 0.310 0.171 -5.219) 5.231 20.946 ( -2.182 -1.671 8.605) 9.033 21.493 ( -0.399 0.291 -6.503) 6.522 21.878 ( -0.143 -0.048 1.804) 1.810 26.231 ( -2.111 -0.299 -0.645) 2.228 26.338 ( 2.146 0.966 2.401) 3.363 26.406 ( -0.110 -0.440 -2.465) 2.507 26.551 ( 0.167 -0.092 1.008) 1.026 35.435 ( 3.836 0.680 -1.313) 4.111 35.658 ( 1.089 2.357 -0.896) 2.747 35.755 ( -1.931 -4.188 0.829) 4.686 35.933 ( -1.668 4.750 -4.401) 6.687 36.256 ( -2.198 -5.075 2.248) 5.970 36.566 ( 3.169 -3.975 21.507) 22.100 37.072 ( 2.881 6.465 -26.044) 26.989 38.704 ( 7.012 3.186 11.370) 13.733 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -17.505 -0.000 0.000) 17.505 1.502 ( -24.221 -0.000 0.000) 24.221 1.835 ( -11.186 -0.000 0.000) 11.186 2.114 ( -17.183 -0.000 0.000) 17.183 2.533 ( 24.218 0.000 -0.000) 24.218 2.767 ( -1.795 -0.000 0.000) 1.795 2.815 ( -1.244 -0.000 0.000) 1.244 3.072 ( -19.489 -0.000 0.000) 19.489 3.487 ( 13.705 0.000 -0.000) 13.705 3.603 ( 0.025 0.000 -0.000) 0.025 4.071 ( -1.189 -0.000 0.000) 1.189 4.112 ( -5.656 -0.000 0.000) 5.656 4.462 ( -9.169 -0.000 0.000) 9.169 4.623 ( -1.341 -0.000 0.000) 1.341 4.743 ( 16.639 0.000 -0.000) 16.639 4.935 ( 5.889 0.000 -0.000) 5.889 5.188 ( 5.944 0.000 -0.000) 5.944 5.289 ( 10.547 0.000 -0.000) 10.547 5.407 ( 5.842 0.000 -0.000) 5.842 5.578 ( -7.070 -0.000 0.000) 7.070 5.720 ( 1.038 0.000 -0.000) 1.038 5.895 ( -6.232 -0.000 0.000) 6.232 6.198 ( -3.929 -0.000 0.000) 3.929 6.276 ( -4.610 -0.000 0.000) 4.610 6.368 ( 0.873 0.000 -0.000) 0.873 7.038 ( -7.726 -0.000 0.000) 7.726 7.165 ( 0.410 0.000 -0.000) 0.410 7.286 ( -4.851 -0.000 0.000) 4.851 7.362 ( -2.394 -0.000 0.000) 2.394 7.866 ( 4.541 0.000 -0.000) 4.541 8.247 ( -3.130 -0.000 0.000) 3.130 8.297 ( 5.183 0.000 -0.000) 5.183 8.310 ( -0.815 -0.000 0.000) 0.815 8.409 ( -1.340 -0.000 0.000) 1.340 8.468 ( 9.358 0.000 -0.000) 9.358 8.502 ( -12.699 -0.000 0.000) 12.699 8.591 ( 0.554 0.000 -0.000) 0.554 8.783 ( 5.354 0.000 -0.000) 5.354 8.868 ( 3.044 0.000 -0.000) 3.044 9.174 ( 3.408 0.000 -0.000) 3.408 9.384 ( -8.702 -0.000 0.000) 8.702 10.586 ( 23.550 0.000 -0.000) 23.550 16.932 ( 5.758 0.000 -0.000) 5.758 16.947 ( 2.614 0.000 -0.000) 2.614 17.170 ( 0.647 0.000 -0.000) 0.647 17.362 ( 4.553 0.000 -0.000) 4.553 17.503 ( -8.223 -0.000 0.000) 8.223 17.668 ( -6.806 -0.000 0.000) 6.806 17.754 ( 2.691 0.000 -0.000) 2.691 17.871 ( 0.340 0.000 -0.000) 0.340 20.181 ( -0.033 -0.000 0.000) 0.033 20.961 ( -1.749 -0.000 0.000) 1.749 21.451 ( -0.468 -0.000 0.000) 0.468 21.885 ( -0.140 -0.000 0.000) 0.140 26.194 ( -2.418 -0.000 0.000) 2.418 26.365 ( -1.395 -0.000 0.000) 1.395 26.412 ( 3.807 0.000 -0.000) 3.807 26.558 ( 0.147 0.000 -0.000) 0.147 35.488 ( 3.854 0.000 -0.000) 3.854 35.675 ( -0.272 -0.000 0.000) 0.272 35.733 ( -0.162 -0.000 0.000) 0.162 35.906 ( 1.007 0.000 -0.000) 1.007 36.236 ( 0.120 0.000 -0.000) 0.120 36.753 ( 2.402 0.000 -0.000) 2.402 36.900 ( -4.308 -0.000 0.000) 4.308 38.896 ( 9.118 0.000 -0.000) 9.118 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 -0.861 0.985) 1.308 1.665 ( 0.000 10.863 7.196) 13.030 2.047 ( 0.000 14.750 5.631) 15.788 2.202 ( -0.000 11.248 -1.732) 11.381 2.403 ( -0.000 -1.127 -1.886) 2.196 2.820 ( -0.000 -10.491 -2.404) 10.763 2.886 ( -0.000 4.288 -14.694) 15.307 3.203 ( 0.000 0.140 6.410) 6.411 3.257 ( 0.000 11.564 15.201) 19.099 3.528 ( -0.000 -3.217 -9.730) 10.248 3.956 ( -0.000 23.583 1.385) 23.624 4.069 ( -0.000 -8.539 -3.567) 9.254 4.086 ( -0.000 -9.415 -2.275) 9.686 4.612 ( 0.000 -5.951 -0.004) 5.951 4.802 ( 0.000 -5.228 11.349) 12.495 5.001 ( -0.000 -2.493 -6.160) 6.645 5.064 ( -0.000 -13.164 -7.316) 15.061 5.253 ( 0.000 1.233 1.707) 2.105 5.567 ( -0.000 0.163 -9.058) 9.059 5.743 ( -0.000 0.668 -6.106) 6.143 5.830 ( 0.000 -2.849 16.582) 16.825 5.882 ( 0.000 -5.943 3.955) 7.139 6.298 ( 0.000 0.317 3.037) 3.054 6.342 ( 0.000 -2.190 8.469) 8.748 6.828 ( -0.000 -1.065 -13.656) 13.697 7.077 ( -0.000 3.674 -1.580) 3.999 7.349 ( 0.000 1.267 4.403) 4.582 7.350 ( 0.000 0.405 7.891) 7.902 7.499 ( 0.000 0.955 5.354) 5.439 7.656 ( -0.000 2.852 -1.748) 3.345 8.050 ( -0.000 -0.437 -2.207) 2.250 8.151 ( -0.000 -3.341 -5.124) 6.117 8.296 ( -0.000 10.987 -1.961) 11.161 8.322 ( -0.000 0.084 -0.704) 0.709 8.399 ( -0.000 1.872 -0.976) 2.111 8.575 ( -0.000 2.064 -1.735) 2.697 8.585 ( 0.000 -9.685 3.094) 10.167 8.812 ( 0.000 -0.730 4.546) 4.604 8.992 ( 0.000 -2.728 1.296) 3.020 9.025 ( -0.000 -6.500 -2.928) 7.129 9.512 ( 0.000 5.774 2.601) 6.333 9.819 ( -0.000 4.309 -15.546) 16.132 16.983 ( 0.000 -4.316 -0.298) 4.326 17.019 ( -0.000 -2.945 -1.306) 3.221 17.096 ( 0.000 -2.791 0.172) 2.796 17.275 ( -0.000 7.447 -0.259) 7.452 17.517 ( 0.000 -5.908 1.796) 6.175 17.537 ( -0.000 1.692 0.152) 1.699 17.741 ( -0.000 0.585 -0.819) 1.006 17.988 ( 0.000 5.705 1.280) 5.847 20.263 ( -0.000 0.356 -8.006) 8.014 20.944 ( 0.000 -6.409 11.746) 13.381 21.575 ( -0.000 0.308 -8.153) 8.159 21.855 ( 0.000 -0.054 3.560) 3.560 26.245 ( 0.000 1.372 1.838) 2.294 26.286 ( -0.000 0.270 -1.000) 1.036 26.450 ( -0.000 -0.702 -1.906) 2.031 26.542 ( 0.000 -1.039 1.242) 1.619 35.370 ( -0.000 -1.428 -3.697) 3.964 35.656 ( -0.000 1.452 -5.806) 5.984 35.846 ( -0.000 5.174 -2.172) 5.611 36.008 ( 0.000 0.818 6.553) 6.604 36.131 ( 0.000 -2.630 14.658) 14.892 36.587 ( 0.000 -14.492 2.131) 14.648 36.941 ( -0.000 20.644 -25.507) 32.814 38.387 ( 0.000 8.683 12.828) 15.491 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -2.711 0.612 -4.588) 5.364 1.791 ( 5.485 1.690 3.126) 6.535 2.146 ( -5.627 8.631 1.640) 10.433 2.267 ( -7.912 7.065 6.269) 12.321 2.449 ( 3.269 2.144 1.020) 4.040 2.628 ( -3.002 -3.862 -5.415) 7.297 2.848 ( 6.864 0.472 -9.596) 11.808 3.220 ( -6.654 0.381 7.323) 9.902 3.280 ( -3.100 -2.397 -1.576) 4.224 3.683 ( 17.653 -0.811 2.723) 17.880 3.842 ( -10.193 -3.752 -5.919) 12.370 4.060 ( 4.168 -2.397 -0.578) 4.843 4.285 ( 4.922 25.040 6.925) 26.442 4.583 ( -0.309 -3.518 2.010) 4.064 4.788 ( 0.264 -17.285 -0.619) 17.298 4.919 ( -0.380 3.070 -0.914) 3.226 4.982 ( 5.373 -4.436 -4.631) 8.366 5.283 ( 1.145 -1.618 0.834) 2.150 5.518 ( 3.498 -0.753 -3.206) 4.804 5.628 ( -9.696 -2.948 -2.817) 10.519 5.834 ( -3.842 0.743 3.666) 5.363 6.018 ( 1.628 -1.595 5.827) 6.257 6.222 ( -9.740 0.436 7.587) 12.354 6.388 ( -1.168 -1.215 4.986) 5.263 6.644 ( -5.139 -1.690 -14.878) 15.830 7.097 ( 1.245 2.474 -1.429) 3.117 7.396 ( -0.783 1.750 3.504) 3.994 7.434 ( 1.428 -0.220 1.519) 2.097 7.554 ( 3.190 -0.536 3.705) 4.918 7.578 ( -11.204 1.829 -1.420) 11.441 8.057 ( 3.450 1.589 -0.848) 3.891 8.104 ( 3.705 -2.888 -1.976) 5.096 8.341 ( 1.031 1.660 0.393) 1.993 8.366 ( 1.366 2.764 -0.985) 3.237 8.411 ( 1.987 3.024 -2.455) 4.373 8.557 ( 2.438 -3.219 2.243) 4.619 8.580 ( -2.192 0.185 0.481) 2.252 8.874 ( 1.949 -1.237 2.839) 3.659 8.939 ( -0.093 -3.648 -1.193) 3.839 8.965 ( -2.374 -2.610 -0.346) 3.545 9.658 ( 11.606 3.096 2.072) 12.189 9.702 ( -1.712 1.588 -8.864) 9.167 16.937 ( -1.232 -3.263 -0.025) 3.488 16.945 ( -4.704 -1.219 -0.381) 4.875 17.132 ( 5.293 -1.113 0.038) 5.409 17.296 ( -4.624 3.900 -0.641) 6.083 17.508 ( 4.706 -1.384 0.998) 5.006 17.595 ( 4.294 -0.669 -0.151) 4.349 17.744 ( 1.058 0.211 -0.122) 1.086 18.004 ( -4.522 3.214 0.795) 5.604 20.203 ( 0.050 0.164 -4.298) 4.302 20.996 ( -1.108 -3.076 7.685) 8.352 21.503 ( -0.240 0.354 -5.901) 5.917 21.881 ( -0.055 -0.040 1.749) 1.751 26.273 ( -0.826 0.055 -0.569) 1.004 26.279 ( 1.299 0.912 1.339) 2.077 26.425 ( -0.547 -0.503 -1.377) 1.565 26.546 ( 0.115 -0.433 0.756) 0.879 35.347 ( 1.933 -0.516 -1.764) 2.667 35.623 ( 0.962 0.779 -3.273) 3.500 35.833 ( -3.267 0.669 -0.406) 3.359 36.049 ( -4.605 5.137 3.557) 7.762 36.278 ( 2.908 -4.818 7.859) 9.666 36.481 ( -0.361 -7.418 5.727) 9.378 36.908 ( 6.654 9.838 -18.728) 22.176 38.561 ( 2.707 4.470 7.494) 9.136 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -10.280 -0.000 0.000) 10.280 1.915 ( 6.123 0.000 -0.000) 6.123 2.090 ( -7.865 -0.000 0.000) 7.865 2.178 ( -10.604 -0.000 0.000) 10.604 2.394 ( -4.785 -0.000 0.000) 4.785 2.694 ( 8.303 0.000 -0.000) 8.303 2.891 ( 1.484 0.000 -0.000) 1.484 3.173 ( -0.797 -0.000 0.000) 0.797 3.258 ( 1.050 0.000 -0.000) 1.050 3.647 ( -7.852 -0.000 0.000) 7.852 3.924 ( 14.706 0.000 -0.000) 14.706 4.120 ( 4.881 0.000 -0.000) 4.881 4.473 ( -1.256 -0.000 0.000) 1.256 4.642 ( 0.539 0.000 -0.000) 0.539 4.671 ( 5.148 0.000 -0.000) 5.148 4.978 ( 6.305 0.000 -0.000) 6.305 5.021 ( 6.280 0.000 -0.000) 6.280 5.289 ( 2.125 0.000 -0.000) 2.125 5.334 ( -26.287 -0.000 0.000) 26.287 5.593 ( 6.895 0.000 -0.000) 6.895 5.780 ( -6.667 -0.000 0.000) 6.667 5.989 ( -2.478 -0.000 0.000) 2.478 6.296 ( 1.228 0.000 -0.000) 1.228 6.387 ( -9.738 -0.000 0.000) 9.738 6.405 ( -1.190 -0.000 0.000) 1.190 7.122 ( 1.938 0.000 -0.000) 1.938 7.354 ( -12.738 -0.000 0.000) 12.738 7.408 ( -1.292 -0.000 0.000) 1.292 7.434 ( -6.295 -0.000 0.000) 6.295 7.667 ( 8.435 0.000 -0.000) 8.435 8.123 ( 5.297 0.000 -0.000) 5.297 8.179 ( 8.807 0.000 -0.000) 8.807 8.332 ( -2.812 -0.000 0.000) 2.812 8.385 ( 0.082 0.000 -0.000) 0.082 8.429 ( 0.315 0.000 -0.000) 0.315 8.559 ( -0.095 -0.000 0.000) 0.095 8.627 ( 5.697 0.000 -0.000) 5.697 8.844 ( -8.958 -0.000 0.000) 8.958 8.854 ( -2.764 -0.000 0.000) 2.764 9.020 ( 7.457 0.000 -0.000) 7.457 9.602 ( -5.614 -0.000 0.000) 5.614 9.927 ( 21.301 0.000 -0.000) 21.301 16.884 ( -2.537 -0.000 0.000) 2.537 16.913 ( -0.147 -0.000 0.000) 0.147 17.209 ( 6.003 0.000 -0.000) 6.003 17.231 ( -4.944 -0.000 0.000) 4.944 17.606 ( 7.361 0.000 -0.000) 7.361 17.617 ( -0.261 -0.000 0.000) 0.261 17.776 ( 2.786 0.000 -0.000) 2.786 17.935 ( -7.419 -0.000 0.000) 7.419 20.182 ( -0.029 -0.000 0.000) 0.029 21.009 ( -1.467 -0.000 0.000) 1.467 21.466 ( -0.533 -0.000 0.000) 0.533 21.889 ( -0.096 -0.000 0.000) 0.096 26.253 ( -1.631 -0.000 0.000) 1.631 26.318 ( 2.604 0.000 -0.000) 2.604 26.403 ( -1.137 -0.000 0.000) 1.137 26.552 ( 0.282 0.000 -0.000) 0.282 35.377 ( 3.590 0.000 -0.000) 3.590 35.632 ( 2.041 0.000 -0.000) 2.041 35.780 ( -3.549 -0.000 0.000) 3.549 36.009 ( -6.510 -0.000 0.000) 6.510 36.267 ( -1.540 -0.000 0.000) 1.540 36.598 ( 7.854 0.000 -0.000) 7.854 36.903 ( 3.592 0.000 -0.000) 3.592 38.678 ( 5.781 0.000 -0.000) 5.781 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.503 ( -0.000 0.000 -0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 -0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 -0.000 -0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 -0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 0.000) 0.000 16.994 ( 0.000 0.000 0.000) 0.000 17.075 ( 0.000 0.000 0.000) 0.000 17.361 ( 0.000 0.000 0.000) 0.000 17.459 ( 0.000 0.000 0.000) 0.000 17.552 ( 0.000 0.000 0.000) 0.000 17.738 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 20.182 ( 0.000 0.000 0.000) 0.000 21.031 ( -0.000 0.000 -0.000) 0.000 21.475 ( 0.000 0.000 0.000) 0.000 21.890 ( 0.000 0.000 0.000) 0.000 26.277 ( 0.000 0.000 0.000) 0.000 26.281 ( 0.000 0.000 0.000) 0.000 26.420 ( 0.000 0.000 0.000) 0.000 26.547 ( 0.000 0.000 0.000) 0.000 35.322 ( 0.000 0.000 0.000) 0.000 35.602 ( 0.000 0.000 0.000) 0.000 35.863 ( 0.000 0.000 0.000) 0.000 36.136 ( 0.000 0.000 0.000) 0.000 36.294 ( 0.000 0.000 0.000) 0.000 36.444 ( 0.000 0.000 0.000) 0.000 36.813 ( 0.000 0.000 0.000) 0.000 38.597 ( 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 -0.000 22.605) 22.605 0.610 ( 0.000 -0.000 22.605) 22.605 1.245 ( 0.000 -0.000 40.031) 40.031 1.678 ( 0.000 -0.000 10.858) 10.858 1.678 ( 0.000 -0.000 10.858) 10.858 2.706 ( -0.000 0.000 -2.284) 2.284 2.706 ( -0.000 0.000 -2.284) 2.284 3.447 ( -0.000 0.000 -21.410) 21.410 3.592 ( -0.000 0.000 -11.643) 11.643 3.840 ( -0.000 0.000 -6.978) 6.978 3.840 ( -0.000 0.000 -6.978) 6.978 4.733 ( -0.000 0.000 -3.861) 3.861 4.733 ( -0.000 0.000 -3.861) 3.861 4.757 ( 0.000 -0.000 17.596) 17.596 5.072 ( -0.000 0.000 -11.015) 11.015 5.110 ( -0.000 0.000 -2.726) 2.726 5.110 ( -0.000 0.000 -2.726) 2.726 5.235 ( -0.000 0.000 -11.731) 11.731 5.602 ( 0.000 -0.000 3.763) 3.763 5.602 ( 0.000 -0.000 3.763) 3.763 6.026 ( -0.000 0.000 -3.199) 3.199 6.026 ( -0.000 0.000 -3.199) 3.199 6.220 ( 0.000 -0.000 14.082) 14.082 6.879 ( -0.000 0.000 -12.608) 12.608 6.968 ( 0.000 -0.000 21.829) 21.829 7.082 ( 0.000 -0.000 4.089) 4.089 7.082 ( 0.000 -0.000 4.089) 4.089 7.104 ( -0.000 0.000 -4.539) 4.539 7.104 ( -0.000 0.000 -4.539) 4.539 7.926 ( -0.000 0.000 -0.931) 0.931 8.117 ( -0.000 0.000 -2.880) 2.880 8.117 ( -0.000 0.000 -2.880) 2.880 8.247 ( -0.000 0.000 -4.148) 4.148 8.424 ( 0.000 -0.000 3.085) 3.085 8.424 ( 0.000 -0.000 3.085) 3.085 8.503 ( 0.000 -0.000 3.337) 3.337 8.810 ( 0.000 -0.000 2.610) 2.610 8.913 ( -0.000 0.000 -6.789) 6.789 8.913 ( -0.000 0.000 -6.789) 6.789 9.029 ( 0.000 -0.000 3.152) 3.152 9.291 ( 0.000 -0.000 1.380) 1.380 9.291 ( 0.000 -0.000 1.380) 1.380 17.075 ( -0.000 0.000 -0.524) 0.524 17.075 ( -0.000 0.000 -0.524) 0.524 17.334 ( -0.000 0.000 -0.422) 0.422 17.334 ( -0.000 0.000 -0.422) 0.422 17.443 ( 0.000 -0.000 2.181) 2.181 17.443 ( 0.000 -0.000 2.181) 2.181 17.716 ( -0.000 0.000 -0.235) 0.235 17.716 ( -0.000 0.000 -0.235) 0.235 20.599 ( -0.000 0.000 -14.068) 14.068 21.212 ( 0.000 -0.000 2.412) 2.412 21.663 ( 0.000 -0.000 9.029) 9.029 21.799 ( -0.000 0.000 -5.239) 5.239 26.150 ( 0.000 -0.000 1.315) 1.315 26.305 ( -0.000 0.000 -1.026) 1.026 26.541 ( -0.000 0.000 -1.102) 1.102 26.565 ( 0.000 -0.000 0.804) 0.804 35.625 ( -0.000 0.000 -5.028) 5.028 35.625 ( -0.000 0.000 -5.028) 5.028 35.685 ( 0.000 -0.000 3.611) 3.611 35.685 ( 0.000 -0.000 3.611) 3.611 36.105 ( -0.000 0.000 -6.911) 6.911 36.105 ( -0.000 0.000 -6.911) 6.911 37.116 ( 0.000 -0.000 18.355) 18.355 37.116 ( 0.000 -0.000 18.355) 18.355 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 16.166 9.333 16.178) 24.702 1.053 ( 14.797 8.543 18.558) 25.226 1.670 ( 4.108 2.372 31.348) 31.705 1.672 ( -2.020 -1.166 6.015) 6.452 2.045 ( 22.300 12.875 9.837) 27.565 2.565 ( -8.714 -5.031 -3.801) 10.756 2.852 ( 9.960 5.750 6.041) 12.990 3.224 ( 1.076 0.621 -22.987) 23.020 3.380 ( -9.973 -5.758 -9.475) 14.913 3.692 ( -4.816 -2.780 -9.274) 10.813 3.835 ( 5.087 2.937 -7.283) 9.356 4.530 ( -8.910 -5.144 -2.708) 10.638 4.633 ( -21.292 -12.293 11.931) 27.328 4.823 ( 5.718 3.301 -5.942) 8.882 4.882 ( -2.876 -1.660 -13.520) 13.922 5.140 ( -0.658 -0.380 -2.572) 2.682 5.178 ( 6.358 3.671 5.814) 9.365 5.260 ( 7.781 4.493 -7.090) 11.446 5.600 ( -2.921 -1.686 4.641) 5.737 5.628 ( 0.119 0.069 -1.072) 1.081 5.965 ( -2.769 -1.599 -2.299) 3.938 6.046 ( 0.820 0.474 3.302) 3.435 6.232 ( -12.741 -7.356 10.786) 18.243 6.475 ( -23.911 -13.805 4.334) 27.948 6.988 ( -1.362 -0.786 -4.371) 4.645 7.048 ( 1.751 1.011 -7.514) 7.781 7.129 ( 0.375 0.216 4.057) 4.080 7.133 ( -0.048 -0.028 18.829) 18.829 7.248 ( 4.830 2.789 7.805) 9.593 7.789 ( -9.955 -5.747 -0.821) 11.524 8.033 ( 3.555 2.052 -0.829) 4.188 8.062 ( -0.601 -0.347 -2.605) 2.696 8.220 ( 1.813 1.047 -4.136) 4.636 8.392 ( -2.251 -1.300 1.965) 3.258 8.433 ( -2.364 -1.365 -3.610) 4.526 8.527 ( 3.286 1.897 2.829) 4.733 8.806 ( -3.389 -1.957 3.049) 4.961 8.931 ( 5.490 3.170 -3.779) 7.381 9.037 ( -2.328 -1.344 2.900) 3.954 9.202 ( -0.332 -0.192 -2.729) 2.755 9.340 ( 2.551 1.473 1.945) 3.530 9.529 ( 36.559 21.107 -23.679) 48.402 17.060 ( -0.414 -0.239 -0.950) 1.063 17.069 ( -0.774 -0.447 -0.263) 0.932 17.260 ( -3.827 -2.210 -0.477) 4.445 17.325 ( -2.891 -1.669 0.742) 3.420 17.463 ( 2.559 1.477 1.433) 3.284 17.526 ( 3.177 1.834 2.212) 4.284 17.702 ( 0.067 0.039 -1.050) 1.052 17.750 ( 2.111 1.219 -0.080) 2.439 20.466 ( 0.390 0.225 -13.039) 13.047 21.076 ( -14.378 -8.301 9.936) 19.349 21.735 ( -0.292 -0.169 -6.754) 6.763 21.746 ( -0.052 -0.030 7.467) 7.467 26.169 ( 0.532 0.307 1.876) 1.974 26.296 ( 0.155 0.089 -1.219) 1.232 26.517 ( -0.991 -0.572 -1.420) 1.824 26.563 ( -1.046 -0.604 0.957) 1.541 35.514 ( -2.244 -1.296 -5.967) 6.506 35.667 ( 0.121 0.070 -2.217) 2.222 35.752 ( 3.217 1.857 0.502) 3.749 35.842 ( 9.613 5.550 -5.034) 12.188 36.098 ( 1.260 0.728 4.046) 4.300 36.262 ( 21.206 12.243 -13.357) 27.892 37.110 ( -0.663 -0.383 5.120) 5.177 37.550 ( 12.763 7.369 19.526) 24.463 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 9.249 5.340 12.251) 16.253 1.471 ( 11.551 6.669 13.285) 18.825 1.714 ( 4.270 2.465 -2.460) 5.510 2.004 ( 5.034 2.906 20.770) 21.568 2.312 ( -13.570 -7.835 -3.495) 16.054 2.634 ( 26.427 15.258 8.567) 31.695 3.008 ( -12.499 -7.216 -5.971) 15.619 3.048 ( 3.082 1.779 -19.555) 19.876 3.249 ( 13.890 8.019 12.774) 20.504 3.503 ( -3.952 -2.282 -9.906) 10.907 3.873 ( 7.335 4.235 -8.129) 11.740 4.364 ( -7.893 -4.557 -0.265) 9.118 4.380 ( -17.291 -9.983 11.147) 22.867 4.742 ( 0.709 0.409 -9.623) 9.658 4.801 ( 0.787 0.455 -9.809) 9.851 5.094 ( -1.512 -0.873 -3.526) 3.935 5.262 ( 0.736 0.425 -8.005) 8.050 5.338 ( 2.702 1.560 8.807) 9.343 5.611 ( 0.849 0.490 -2.838) 3.002 5.615 ( -1.765 -1.019 8.192) 8.441 5.881 ( -3.750 -2.165 -2.190) 4.852 5.926 ( -22.477 -12.977 6.478) 26.751 6.166 ( -0.333 -0.192 7.872) 7.882 6.238 ( -10.521 -6.074 8.392) 14.765 6.920 ( 0.580 0.335 -9.461) 9.485 7.015 ( 3.568 2.060 -9.282) 10.155 7.185 ( 1.544 0.891 3.250) 3.706 7.328 ( -3.395 -1.960 14.876) 15.384 7.389 ( 7.201 4.157 7.888) 11.461 7.600 ( -7.669 -4.428 -4.352) 9.867 8.050 ( 1.789 1.033 -1.498) 2.551 8.139 ( 8.096 4.674 -1.669) 9.496 8.237 ( 3.973 2.294 -2.821) 5.386 8.370 ( -1.931 -1.115 1.527) 2.702 8.388 ( 0.924 0.534 -3.139) 3.315 8.556 ( -0.700 -0.404 -1.626) 1.815 8.752 ( -5.643 -3.258 3.490) 7.391 8.947 ( -5.930 -3.424 2.148) 7.177 9.082 ( 4.946 2.856 2.275) 6.148 9.127 ( -3.822 -2.207 -2.125) 4.899 9.482 ( 11.602 6.698 4.101) 14.010 9.747 ( 15.525 8.964 -25.409) 31.097 17.031 ( -1.324 -0.765 -1.515) 2.153 17.051 ( -0.498 -0.288 -0.600) 0.831 17.198 ( -2.875 -1.660 0.904) 3.441 17.287 ( -2.183 -1.260 1.301) 2.837 17.534 ( 3.318 1.916 1.932) 4.291 17.597 ( 2.199 1.270 0.934) 2.706 17.692 ( 0.514 0.296 -2.219) 2.297 17.777 ( 0.771 0.445 0.546) 1.045 20.354 ( 0.660 0.381 -11.085) 11.111 20.961 ( -10.266 -5.927 12.451) 17.192 21.656 ( -0.202 -0.117 -8.027) 8.030 21.810 ( -0.120 -0.069 5.553) 5.554 26.210 ( 1.681 0.970 2.193) 2.928 26.283 ( -0.204 -0.118 -1.365) 1.386 26.482 ( -1.025 -0.592 -1.827) 2.177 26.551 ( -1.258 -0.726 1.272) 1.931 35.436 ( -0.225 -0.130 -4.499) 4.506 35.638 ( -0.097 -0.056 -2.993) 2.995 35.806 ( 4.746 2.740 -4.402) 7.029 35.888 ( 0.183 0.106 -0.768) 0.797 36.221 ( 1.669 0.964 14.197) 14.327 36.412 ( 5.522 3.188 -6.307) 8.969 37.162 ( 10.131 5.849 -15.139) 19.132 37.969 ( 11.496 6.637 18.977) 23.159 ======================= Grid point 79 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.109 -0.063 -16.793) 16.793 1.613 ( 4.156 2.400 12.551) 13.437 1.804 ( 0.983 0.567 7.829) 7.911 2.113 ( -2.585 -1.492 4.674) 5.546 2.254 ( -0.674 -0.389 12.830) 12.854 2.646 ( -15.559 -8.983 -1.720) 18.048 2.938 ( 3.764 2.173 -14.983) 15.601 3.095 ( 15.762 9.100 6.223) 19.235 3.389 ( 1.659 0.958 -7.750) 7.983 3.731 ( 17.325 10.003 6.645) 21.080 3.975 ( 12.371 7.142 -2.547) 14.510 4.190 ( -12.404 -7.161 -0.680) 14.339 4.246 ( -7.223 -4.170 10.512) 13.419 4.700 ( 1.045 0.603 -4.733) 4.885 4.711 ( 2.316 1.337 -9.490) 9.860 4.991 ( -3.205 -1.850 -9.811) 10.486 5.164 ( -3.648 -2.106 -2.799) 5.058 5.451 ( 1.262 0.728 5.944) 6.120 5.472 ( -19.634 -11.336 2.004) 22.760 5.677 ( -0.990 -0.571 0.876) 1.440 5.698 ( -2.533 -1.463 14.900) 15.184 5.792 ( -1.727 -0.997 -4.389) 4.821 6.187 ( -4.810 -2.777 7.368) 9.227 6.238 ( -1.782 -1.029 8.619) 8.861 6.790 ( -1.070 -0.618 -16.392) 16.438 6.981 ( 3.408 1.967 -10.735) 11.433 7.235 ( 0.584 0.337 1.680) 1.811 7.335 ( -4.363 -2.519 4.913) 7.037 7.445 ( -4.704 -2.716 -2.022) 5.796 7.628 ( 5.735 3.311 11.597) 13.354 8.110 ( 5.462 3.154 0.542) 6.330 8.260 ( 6.089 3.515 -2.721) 7.539 8.311 ( 5.633 3.252 -0.596) 6.531 8.351 ( -1.852 -1.069 1.615) 2.680 8.399 ( 3.074 1.775 -1.970) 4.060 8.496 ( -2.190 -1.264 -3.767) 4.537 8.693 ( -3.856 -2.226 3.794) 5.849 8.813 ( -9.808 -5.662 1.150) 11.383 9.039 ( -2.734 -1.579 -2.904) 4.289 9.160 ( 0.204 0.118 4.176) 4.183 9.664 ( 2.243 1.295 -20.818) 20.978 9.851 ( 20.627 11.909 6.816) 24.774 16.988 ( -1.080 -0.624 -1.937) 2.304 17.043 ( 0.492 0.284 -0.875) 1.043 17.180 ( -0.923 -0.533 2.498) 2.716 17.264 ( -1.917 -1.107 1.388) 2.613 17.600 ( -1.551 -0.896 -1.858) 2.581 17.625 ( 3.785 2.185 2.528) 5.049 17.672 ( 0.305 0.176 -3.134) 3.154 17.810 ( 1.184 0.683 2.625) 2.960 20.268 ( 0.719 0.415 -8.605) 8.645 20.935 ( -5.997 -3.462 11.516) 13.437 21.569 ( -0.197 -0.114 -8.316) 8.319 21.853 ( -0.156 -0.090 3.630) 3.635 26.258 ( -1.098 -0.634 -1.300) 1.816 26.272 ( 2.360 1.362 2.436) 3.655 26.444 ( -0.816 -0.471 -2.132) 2.331 26.547 ( -0.666 -0.385 1.441) 1.634 35.417 ( 1.768 1.021 -2.354) 3.116 35.614 ( 0.687 0.397 -2.336) 2.467 35.841 ( 5.628 3.250 -7.555) 9.966 35.856 ( -3.500 -2.021 1.139) 4.198 36.395 ( -2.839 -1.639 0.345) 3.296 36.424 ( 0.706 0.408 20.917) 20.933 37.138 ( 8.482 4.897 -24.388) 26.281 38.352 ( 10.330 5.964 17.022) 20.785 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -11.704 -6.757 -20.716) 24.734 1.780 ( -1.901 -1.097 15.184) 15.341 1.800 ( -9.545 -5.511 9.255) 14.393 1.995 ( -23.626 -13.640 -4.790) 27.698 2.324 ( 16.856 9.732 2.956) 19.687 2.640 ( 1.926 1.112 10.933) 11.157 2.878 ( 2.611 1.507 -9.741) 10.197 3.384 ( 10.347 5.974 4.964) 12.938 3.386 ( 4.257 2.458 -8.297) 9.644 3.822 ( -25.681 -14.827 -1.680) 29.702 3.899 ( 4.188 2.418 -4.260) 6.444 4.076 ( -0.917 -0.530 5.356) 5.460 4.530 ( 20.883 12.057 4.637) 24.556 4.592 ( -11.215 -6.475 0.101) 12.950 4.769 ( 12.912 7.455 -4.207) 15.492 4.818 ( -1.461 -0.844 -11.547) 11.670 5.126 ( -1.610 -0.930 3.285) 3.774 5.223 ( -3.924 -2.266 -2.879) 5.369 5.485 ( -1.384 -0.799 -0.031) 1.598 5.706 ( -0.166 -0.096 3.699) 3.704 5.719 ( -4.109 -2.372 4.758) 6.720 5.823 ( -0.016 -0.009 9.602) 9.602 6.184 ( -2.985 -1.723 5.749) 6.703 6.265 ( -3.623 -2.092 6.468) 7.703 6.564 ( -2.936 -1.695 -18.837) 19.140 6.926 ( 1.977 1.142 -9.313) 9.588 7.234 ( -1.762 -1.017 1.189) 2.356 7.292 ( -3.999 -2.309 2.436) 5.221 7.385 ( -1.814 -1.047 -0.021) 2.095 7.811 ( 3.953 2.282 6.920) 8.290 8.242 ( 5.682 3.280 1.901) 6.831 8.273 ( -2.210 -1.276 0.485) 2.598 8.348 ( 0.883 0.510 -1.416) 1.745 8.421 ( 5.065 2.924 0.887) 5.915 8.426 ( -0.061 -0.035 -2.510) 2.511 8.448 ( 3.270 1.888 -1.590) 4.097 8.626 ( -10.299 -5.946 -0.228) 11.894 8.709 ( 1.866 1.077 3.060) 3.743 8.975 ( -0.452 -0.261 -3.838) 3.873 9.195 ( -1.170 -0.676 5.200) 5.373 9.462 ( -3.445 -1.989 -14.735) 15.263 10.320 ( 21.838 12.608 6.400) 26.016 16.968 ( 1.298 0.749 -1.855) 2.385 17.054 ( 1.691 0.976 -0.773) 2.100 17.205 ( -0.090 -0.052 3.540) 3.542 17.240 ( -1.979 -1.143 0.823) 2.429 17.527 ( -2.810 -1.622 -3.029) 4.439 17.626 ( -1.358 -0.784 -2.586) 3.024 17.728 ( 4.018 2.320 1.673) 4.932 17.855 ( -0.053 -0.031 3.213) 3.214 20.208 ( 0.437 0.252 -5.447) 5.470 20.953 ( -3.114 -1.798 7.624) 8.430 21.488 ( -0.355 -0.205 -6.102) 6.116 21.878 ( -0.148 -0.086 1.783) 1.791 26.219 ( -1.859 -1.073 -0.877) 2.319 26.338 ( 1.600 0.924 2.747) 3.311 26.414 ( 0.443 0.256 -2.434) 2.487 26.554 ( -0.091 -0.053 1.059) 1.065 35.449 ( 2.934 1.694 -0.185) 3.393 35.624 ( 2.169 1.252 -1.050) 2.716 35.792 ( -5.096 -2.942 2.700) 6.474 35.863 ( 6.126 3.537 -9.505) 11.848 36.342 ( -4.107 -2.371 2.837) 5.526 36.650 ( -1.678 -0.969 24.885) 24.960 36.991 ( 3.754 2.167 -26.540) 26.891 38.689 ( 9.847 5.685 12.578) 16.956 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -14.071 -8.124 -7.797) 18.022 1.447 ( -27.646 -15.962 -4.713) 32.269 1.677 ( -11.824 -6.827 7.329) 15.496 1.864 ( -7.911 -4.568 16.121) 18.529 2.691 ( 13.133 7.582 -0.775) 15.185 2.751 ( 0.666 0.385 5.479) 5.533 2.816 ( 1.211 0.699 -7.253) 7.386 3.015 ( -31.164 -17.993 -4.639) 36.283 3.594 ( 8.471 4.891 1.677) 9.924 3.609 ( 4.426 2.555 0.611) 5.147 3.864 ( -2.080 -1.201 -0.773) 2.523 4.226 ( 11.999 6.928 1.195) 13.907 4.373 ( -11.601 -6.698 1.004) 13.434 4.684 ( -1.667 -0.962 -9.766) 9.954 4.857 ( 12.756 7.365 2.456) 14.933 5.081 ( 20.987 12.117 -5.003) 24.744 5.103 ( -0.813 -0.469 1.469) 1.743 5.283 ( 6.357 3.670 2.316) 7.697 5.406 ( -4.254 -2.456 -3.606) 6.093 5.702 ( -1.624 -0.938 -0.116) 1.879 5.718 ( -4.145 -2.393 5.615) 7.378 5.861 ( -5.733 -3.310 7.037) 9.661 6.173 ( -2.240 -1.293 0.383) 2.615 6.228 ( -4.079 -2.355 0.373) 4.724 6.399 ( -0.046 -0.027 -2.853) 2.853 6.896 ( 1.808 1.044 -2.459) 3.226 7.207 ( -2.839 -1.639 1.845) 3.761 7.239 ( -3.464 -2.000 0.663) 4.054 7.342 ( -2.810 -1.622 -0.853) 3.355 7.902 ( 0.944 0.545 1.268) 1.672 8.238 ( -2.277 -1.315 1.599) 3.078 8.281 ( -1.479 -0.854 -0.466) 1.770 8.340 ( 0.239 0.138 -2.063) 2.081 8.391 ( -6.390 -3.689 0.162) 7.380 8.460 ( -0.341 -0.197 -2.015) 2.053 8.512 ( 3.773 2.178 1.961) 4.777 8.556 ( 5.241 3.026 0.724) 6.095 8.799 ( 4.690 2.708 1.500) 5.619 8.943 ( 1.436 0.829 -4.470) 4.767 9.224 ( -1.239 -0.716 4.973) 5.175 9.284 ( -2.583 -1.491 -7.786) 8.338 10.748 ( 19.376 11.187 0.715) 22.385 17.006 ( 4.396 2.538 -1.054) 5.184 17.091 ( 2.878 1.661 -0.347) 3.341 17.209 ( -1.319 -0.762 -0.694) 1.674 17.221 ( -2.151 -1.242 2.544) 3.556 17.468 ( -0.228 -0.132 -1.714) 1.734 17.569 ( -2.117 -1.222 -2.166) 3.266 17.798 ( 1.979 1.143 0.593) 2.361 17.861 ( -2.577 -1.488 2.663) 3.993 20.181 ( -0.026 -0.015 0.176) 0.179 20.949 ( -1.498 -0.865 -0.868) 1.935 21.449 ( -0.455 -0.263 0.513) 0.734 21.884 ( -0.115 -0.066 -0.048) 0.141 26.176 ( -2.036 -1.176 -0.220) 2.362 26.355 ( -1.111 -0.641 0.427) 1.352 26.440 ( 3.259 1.882 -0.131) 3.765 26.560 ( 0.024 0.014 0.101) 0.105 35.514 ( 2.947 1.701 1.832) 3.864 35.651 ( 0.972 0.561 -1.488) 1.864 35.750 ( -3.031 -1.750 5.561) 6.571 35.877 ( 6.509 3.758 -10.784) 13.145 36.321 ( -1.683 -0.972 5.172) 5.525 36.760 ( 0.158 0.091 -25.660) 25.660 36.846 ( -5.340 -3.083 26.203) 26.919 38.943 ( 9.360 5.404 -0.513) 10.820 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -10.695 -6.175 17.943) 21.782 0.898 ( -27.553 -15.908 -1.229) 31.839 1.550 ( -9.548 -5.513 8.341) 13.825 1.831 ( -12.579 -7.263 15.856) 21.503 2.036 ( -47.634 -27.501 -3.752) 55.130 2.783 ( -0.280 -0.162 0.738) 0.806 2.805 ( -0.131 -0.075 -5.276) 5.278 3.163 ( 20.336 11.741 5.656) 24.154 3.685 ( 4.203 2.427 -8.046) 9.396 3.745 ( 7.231 4.175 3.004) 8.874 3.873 ( 1.983 1.145 2.090) 3.101 4.215 ( -7.625 -4.402 5.705) 10.491 4.496 ( 15.037 8.682 1.334) 17.415 4.596 ( 2.393 1.382 -7.081) 7.601 5.055 ( 5.895 3.404 -3.140) 7.497 5.186 ( 3.626 2.094 13.429) 14.066 5.298 ( 2.001 1.155 -5.486) 5.953 5.345 ( 10.452 6.034 -6.415) 13.668 5.428 ( 5.674 3.276 3.298) 7.336 5.587 ( -4.937 -2.850 -8.368) 10.126 5.653 ( -9.156 -5.286 6.703) 12.518 5.858 ( -1.270 -0.733 10.301) 10.404 6.121 ( -1.181 -0.682 -3.653) 3.900 6.143 ( -2.249 -1.299 -4.083) 4.839 6.492 ( 1.913 1.105 13.950) 14.124 6.940 ( 1.816 1.049 3.528) 4.104 7.164 ( -4.445 -2.567 3.035) 5.963 7.176 ( -3.492 -2.016 -0.592) 4.075 7.263 ( -3.903 -2.254 -2.133) 4.987 7.876 ( -1.346 -0.777 -3.956) 4.250 8.173 ( -7.959 -4.595 -0.103) 9.191 8.219 ( -1.292 -0.746 0.329) 1.528 8.324 ( 0.119 0.069 -1.107) 1.115 8.359 ( 1.808 1.044 0.334) 2.115 8.401 ( -2.887 -1.667 -2.556) 4.201 8.589 ( 1.042 0.602 2.399) 2.684 8.670 ( 5.303 3.062 0.817) 6.178 8.894 ( 4.540 2.621 -0.513) 5.268 8.936 ( 2.210 1.276 -3.347) 4.209 9.222 ( 0.907 0.524 -2.228) 2.462 9.250 ( -0.557 -0.322 3.608) 3.665 10.955 ( 8.414 4.858 -20.211) 22.426 17.079 ( 2.305 1.331 -0.612) 2.731 17.141 ( 0.435 0.251 0.939) 1.065 17.191 ( 0.319 0.184 -0.772) 0.855 17.201 ( 3.792 2.189 -2.320) 4.955 17.478 ( 0.710 0.410 1.089) 1.363 17.508 ( -2.416 -1.395 -1.506) 3.171 17.803 ( -1.004 -0.580 -1.607) 1.981 17.816 ( -4.273 -2.467 1.523) 5.164 20.259 ( 3.437 1.984 14.539) 15.071 20.873 ( -0.836 -0.482 -9.469) 9.518 21.484 ( -0.253 -0.146 7.203) 7.209 21.872 ( -0.078 -0.045 -1.924) 1.926 26.143 ( -1.633 -0.943 0.578) 1.972 26.335 ( -0.811 -0.468 -0.509) 1.065 26.499 ( 2.607 1.505 0.688) 3.088 26.555 ( -0.052 -0.030 -1.031) 1.033 35.587 ( 2.026 1.170 3.244) 4.000 35.634 ( -1.263 -0.729 0.681) 1.610 35.764 ( -1.881 -1.086 2.994) 3.699 35.886 ( 6.459 3.729 -11.395) 13.619 36.408 ( 2.412 1.392 5.938) 6.559 36.513 ( 0.743 0.429 -18.132) 18.152 36.964 ( -9.729 -5.617 24.031) 26.527 38.859 ( -4.460 -2.575 -42.573) 42.883 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 7.818 22.601) 23.915 1.347 ( 0.000 23.598 14.596) 27.748 1.675 ( 0.000 -8.489 7.715) 11.471 1.957 ( -0.000 9.149 0.309) 9.154 2.141 ( 0.000 14.608 28.803) 32.296 2.639 ( 0.000 -2.243 3.645) 4.279 2.849 ( 0.000 4.612 2.666) 5.327 3.006 ( -0.000 5.863 -17.166) 18.139 3.288 ( -0.000 -8.937 -9.238) 12.853 3.666 ( -0.000 1.106 -7.513) 7.594 3.698 ( -0.000 -0.677 -9.215) 9.239 4.489 ( -0.000 -11.897 -2.975) 12.263 4.622 ( -0.000 -13.969 -9.466) 16.874 4.779 ( -0.000 2.305 -6.940) 7.313 4.907 ( 0.000 -11.082 11.848) 16.223 5.035 ( -0.000 5.456 -5.096) 7.466 5.143 ( -0.000 -0.105 -1.100) 1.105 5.308 ( 0.000 7.240 2.210) 7.570 5.594 ( -0.000 0.397 -5.567) 5.581 5.632 ( -0.000 2.087 -0.963) 2.299 5.989 ( 0.000 -5.325 5.791) 7.867 6.073 ( 0.000 -2.067 6.219) 6.554 6.374 ( 0.000 -9.059 8.735) 12.584 6.446 ( -0.000 -13.012 -5.385) 14.082 6.954 ( -0.000 0.803 -10.454) 10.485 6.956 ( -0.000 2.704 -7.380) 7.860 7.199 ( 0.000 3.213 5.354) 6.244 7.213 ( 0.000 3.369 3.626) 4.950 7.391 ( 0.000 -0.381 17.248) 17.252 7.792 ( 0.000 -12.282 2.369) 12.508 8.013 ( -0.000 3.498 -0.905) 3.613 8.091 ( -0.000 0.448 -2.781) 2.817 8.195 ( -0.000 4.834 -3.513) 5.975 8.363 ( -0.000 -6.578 -1.979) 6.869 8.427 ( 0.000 -3.280 3.101) 4.514 8.634 ( 0.000 6.377 3.697) 7.371 8.686 ( -0.000 -3.874 -8.453) 9.298 8.840 ( 0.000 -3.656 3.414) 5.002 9.071 ( 0.000 -2.669 2.908) 3.947 9.241 ( -0.000 -4.481 -1.525) 4.733 9.247 ( -0.000 19.555 -8.062) 21.152 9.428 ( -0.000 22.127 -8.332) 23.644 17.037 ( -0.000 -1.912 -0.476) 1.970 17.100 ( -0.000 3.135 -0.158) 3.139 17.241 ( 0.000 -5.481 -0.518) 5.506 17.310 ( 0.000 -7.030 -0.205) 7.033 17.455 ( 0.000 1.504 1.282) 1.976 17.565 ( 0.000 3.111 2.890) 4.246 17.708 ( -0.000 1.149 -0.771) 1.384 17.757 ( -0.000 4.705 0.017) 4.705 20.345 ( -0.000 0.273 -10.689) 10.692 21.157 ( 0.000 -11.029 6.096) 12.602 21.664 ( -0.000 -0.790 -7.135) 7.178 21.812 ( 0.000 -0.057 5.556) 5.556 26.187 ( 0.000 0.571 2.017) 2.097 26.284 ( -0.000 0.297 -1.200) 1.236 26.502 ( -0.000 -1.229 -1.508) 1.945 26.572 ( 0.000 -0.991 0.736) 1.235 35.485 ( -0.000 -1.643 -7.076) 7.264 35.593 ( -0.000 5.984 -6.389) 8.754 35.694 ( -0.000 1.136 -1.962) 2.267 35.881 ( -0.000 15.688 -0.958) 15.717 36.063 ( 0.000 -3.943 5.729) 6.955 36.280 ( -0.000 19.999 -0.868) 20.017 37.126 ( 0.000 -20.254 10.704) 22.909 37.760 ( 0.000 19.671 14.912) 24.684 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 6.582 7.169 17.691) 20.191 1.590 ( 0.532 8.425 0.606) 8.463 1.723 ( -0.234 4.534 13.254) 14.010 2.074 ( 7.001 1.785 5.028) 8.802 2.438 ( -3.304 -2.127 2.752) 4.797 2.656 ( -0.944 11.835 11.738) 16.695 2.844 ( 3.801 7.445 -10.703) 13.580 3.054 ( -8.160 -4.754 -4.482) 10.454 3.220 ( 14.411 6.432 9.944) 18.653 3.503 ( -6.434 2.171 -7.429) 10.065 3.708 ( 7.543 2.720 -8.918) 11.993 4.352 ( -1.472 -11.332 -1.515) 11.527 4.434 ( 0.904 -17.110 -4.401) 17.690 4.678 ( -5.996 -0.618 -2.826) 6.657 4.834 ( -7.991 3.348 0.964) 8.717 5.072 ( -0.768 -3.792 -2.090) 4.398 5.153 ( 3.404 1.559 -6.013) 7.084 5.371 ( 3.950 -4.203 6.634) 8.791 5.552 ( 2.097 1.215 -5.580) 6.084 5.651 ( 1.546 5.022 -2.371) 5.764 5.941 ( -7.546 -9.413 7.178) 14.038 6.139 ( 3.524 -6.390 6.690) 9.900 6.235 ( -15.997 -9.242 3.444) 18.793 6.358 ( -3.453 -0.403 4.453) 5.650 6.822 ( -1.873 0.096 -12.994) 13.129 6.920 ( 1.307 7.079 -10.304) 12.569 7.234 ( -1.364 4.399 2.260) 5.130 7.354 ( 5.983 3.745 1.814) 7.288 7.525 ( -1.227 -2.306 15.521) 15.739 7.666 ( -9.069 -8.028 2.303) 12.328 8.040 ( -0.415 1.223 -1.108) 1.702 8.087 ( 3.883 5.855 -1.280) 7.142 8.187 ( 0.463 2.393 -2.383) 3.409 8.337 ( 3.268 0.214 -2.725) 4.261 8.415 ( -2.282 -2.229 3.128) 4.468 8.537 ( -2.080 -0.814 -4.078) 4.650 8.811 ( -1.900 -6.165 3.315) 7.253 8.885 ( 14.228 -1.274 1.133) 14.330 9.043 ( -3.465 -3.656 1.831) 5.359 9.149 ( -2.962 -2.953 -2.738) 4.999 9.395 ( 10.876 9.769 -2.931) 14.910 9.521 ( 3.590 17.914 -13.217) 22.550 17.003 ( -1.654 -3.054 -0.124) 3.475 17.110 ( -2.650 3.728 -0.477) 4.599 17.194 ( -0.004 -4.831 0.192) 4.835 17.257 ( 1.912 -6.984 -0.293) 7.247 17.494 ( 2.242 0.657 1.155) 2.606 17.628 ( 2.481 1.491 1.799) 3.408 17.702 ( -1.384 2.835 -0.444) 3.186 17.795 ( -1.165 5.002 0.002) 5.136 20.256 ( 0.173 0.246 -7.648) 7.654 21.103 ( -4.429 -7.470 6.146) 10.639 21.582 ( -0.591 -0.983 -6.627) 6.726 21.857 ( -0.064 -0.080 3.591) 3.592 26.221 ( 0.992 1.060 2.157) 2.601 26.274 ( -0.204 0.279 -1.101) 1.154 26.471 ( -0.764 -1.190 -1.543) 2.092 26.566 ( -0.496 -0.974 0.647) 1.271 35.402 ( -0.673 -0.538 -4.165) 4.253 35.584 ( 1.174 3.689 -6.399) 7.479 35.713 ( 3.430 3.056 -4.430) 6.382 35.958 ( -3.172 5.613 2.786) 7.024 36.191 ( 10.518 2.786 1.610) 10.999 36.437 ( 0.169 12.330 5.643) 13.561 37.037 ( -0.542 -15.587 2.415) 15.782 38.092 ( 6.267 15.876 12.232) 20.999 ======================= Grid point 87 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -4.726 -1.015 -7.792) 9.170 1.771 ( 1.723 6.281 15.908) 17.190 1.942 ( 1.877 6.095 13.999) 15.383 2.133 ( -3.009 -8.581 4.344) 10.077 2.430 ( -2.362 4.278 7.200) 8.702 2.683 ( 0.095 -3.671 -8.863) 9.594 2.785 ( -3.670 2.398 -9.602) 10.555 3.058 ( 4.345 5.082 9.925) 11.967 3.361 ( -1.066 1.763 -4.550) 4.995 3.668 ( 8.071 11.006 0.637) 13.663 3.817 ( 19.121 11.428 0.687) 22.286 4.223 ( -2.881 -12.896 -1.480) 13.296 4.298 ( -0.570 -14.628 3.181) 14.981 4.607 ( -1.674 1.462 -0.891) 2.394 4.775 ( -6.110 9.156 -1.645) 11.130 4.931 ( -5.420 -3.616 -9.284) 11.342 5.126 ( 2.114 -1.846 -3.598) 4.563 5.459 ( 1.886 -5.488 5.957) 8.317 5.571 ( 3.439 -1.323 -0.519) 3.721 5.665 ( -1.693 -4.110 -5.288) 6.908 5.771 ( -11.352 -7.823 4.787) 14.594 5.978 ( -12.559 -0.399 5.501) 13.716 6.220 ( 2.101 -5.906 9.286) 11.204 6.375 ( -3.891 0.119 6.364) 7.460 6.630 ( -2.710 -1.550 -17.789) 18.061 6.898 ( 0.468 10.414 -10.301) 14.655 7.276 ( -0.873 4.494 1.190) 4.730 7.399 ( -2.147 0.268 0.099) 2.166 7.502 ( -8.605 -5.537 2.446) 10.521 7.676 ( 4.820 -0.972 9.994) 11.138 8.074 ( 4.182 1.494 1.519) 4.693 8.190 ( 5.384 5.485 -2.356) 8.039 8.226 ( 5.358 0.708 -0.474) 5.425 8.382 ( 1.599 6.106 -1.475) 6.482 8.405 ( -1.262 -1.318 3.483) 3.932 8.463 ( -1.520 -1.641 -4.437) 4.969 8.751 ( -3.477 -5.789 3.357) 7.541 8.913 ( -7.857 -4.557 1.233) 9.166 9.004 ( 0.180 -4.796 -2.584) 5.451 9.115 ( 6.669 -3.998 -0.605) 7.799 9.506 ( -0.123 11.423 -14.437) 18.410 9.705 ( 19.529 10.474 2.885) 22.348 16.951 ( -1.101 -3.934 -0.203) 4.090 17.076 ( -2.581 -0.587 -0.507) 2.695 17.172 ( 0.100 -2.714 0.614) 2.784 17.249 ( 2.769 -2.995 0.094) 4.081 17.550 ( 3.649 0.432 0.421) 3.698 17.649 ( -0.045 0.008 -1.816) 1.817 17.731 ( -3.231 8.057 1.687) 8.844 17.810 ( 0.617 0.723 1.020) 1.394 20.201 ( 0.116 0.128 -4.092) 4.095 21.052 ( -3.533 -3.636 3.379) 6.092 21.507 ( -0.974 -1.011 -3.979) 4.219 21.881 ( -0.105 -0.076 1.727) 1.732 26.258 ( -0.909 -0.046 -0.852) 1.247 26.274 ( 2.110 1.369 2.102) 3.278 26.434 ( -1.093 -0.991 -1.444) 2.065 26.560 ( -0.298 -0.569 0.498) 0.813 35.381 ( 1.770 0.424 -1.559) 2.396 35.572 ( 1.318 3.231 -4.220) 5.476 35.730 ( 3.119 3.837 -6.728) 8.349 35.957 ( -5.888 -1.093 6.322) 8.708 36.322 ( 6.771 5.375 -8.082) 11.834 36.624 ( 1.427 -0.899 20.870) 20.938 36.922 ( 0.845 -5.997 -8.113) 10.124 38.410 ( 8.746 11.599 7.821) 16.498 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -13.887 -3.122 -5.175) 15.145 1.910 ( -6.949 -6.440 11.495) 14.896 2.054 ( -8.567 -3.485 11.238) 14.555 2.181 ( 8.884 3.465 6.363) 11.464 2.267 ( -16.605 -1.290 0.254) 16.657 2.707 ( 4.768 3.007 1.961) 5.968 2.779 ( 2.104 3.970 -1.187) 4.647 3.199 ( 8.133 -0.783 -4.089) 9.137 3.357 ( 3.979 4.138 -3.814) 6.892 3.728 ( 4.269 -5.034 -2.561) 7.080 4.057 ( -6.848 -2.985 -0.776) 7.511 4.182 ( -8.194 -1.928 2.501) 8.781 4.307 ( 22.608 7.189 3.582) 23.993 4.646 ( 3.606 0.864 0.917) 3.820 4.702 ( -7.524 -0.048 -7.639) 10.722 4.805 ( -2.425 11.610 -2.783) 12.182 5.134 ( 3.167 -2.336 1.500) 4.211 5.274 ( -15.380 -14.807 1.132) 21.380 5.483 ( -0.758 -1.827 -0.424) 2.023 5.662 ( 5.476 -2.926 -3.685) 7.219 5.741 ( -0.162 -0.594 4.292) 4.336 5.960 ( -1.852 -0.420 4.685) 5.055 6.282 ( -5.566 -2.080 8.132) 10.072 6.338 ( -1.990 -2.231 -3.485) 4.592 6.415 ( -1.429 -2.323 -8.601) 9.023 6.899 ( -1.482 11.027 -4.642) 12.056 7.286 ( -3.410 1.010 2.072) 4.116 7.345 ( -3.528 -0.855 -0.872) 3.734 7.407 ( -3.680 -3.057 1.496) 5.012 7.809 ( 5.353 -1.124 3.938) 6.740 8.192 ( 7.209 1.002 1.699) 7.474 8.256 ( 2.111 3.256 -2.662) 4.706 8.309 ( 5.173 -0.296 -0.092) 5.183 8.386 ( -0.227 -1.208 -3.994) 4.179 8.399 ( -1.072 0.597 3.018) 3.258 8.475 ( 1.471 7.429 1.269) 7.678 8.720 ( -0.437 -2.915 2.805) 4.069 8.741 ( -11.186 -4.170 0.174) 11.939 8.924 ( -0.474 -3.796 -3.781) 5.379 9.167 ( 6.332 -4.762 -1.888) 8.145 9.423 ( -5.731 6.877 -6.399) 11.004 10.123 ( 24.075 9.870 1.017) 26.040 16.917 ( 1.104 -2.943 -0.578) 3.196 17.035 ( 0.286 -3.994 -0.371) 4.022 17.157 ( 0.224 -2.305 0.091) 2.317 17.288 ( 2.970 0.862 1.293) 3.352 17.559 ( -3.602 1.558 -2.569) 4.691 17.637 ( -0.693 2.117 -0.906) 2.405 17.745 ( -2.443 5.522 0.720) 6.081 17.860 ( 2.961 -1.476 2.671) 4.252 20.181 ( -0.033 -0.014 0.286) 0.288 21.000 ( -1.976 -1.080 -3.289) 3.986 21.471 ( -1.128 -0.979 1.762) 2.310 21.888 ( -0.130 -0.052 -0.064) 0.154 26.231 ( -1.739 -0.392 -0.371) 1.821 26.341 ( 3.032 1.377 1.688) 3.733 26.397 ( -1.303 -0.812 -1.031) 1.849 26.558 ( 0.073 -0.172 -0.040) 0.191 35.421 ( 3.509 0.882 0.921) 3.733 35.594 ( 2.018 3.566 -1.339) 4.311 35.728 ( 3.357 2.827 -7.778) 8.931 35.913 ( -7.271 -1.724 6.078) 9.632 36.329 ( 2.438 -0.078 -5.252) 5.791 36.722 ( 1.540 -5.517 -10.928) 12.338 36.929 ( -0.052 0.795 21.277) 21.292 38.661 ( 9.824 8.202 -0.278) 12.801 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -15.583 -1.067 8.321) 17.698 1.638 ( -22.916 -14.617 0.988) 27.199 1.918 ( -14.872 -4.569 5.931) 16.650 2.171 ( -12.096 0.895 14.398) 18.826 2.508 ( 20.948 4.034 2.109) 21.437 2.753 ( -0.986 -0.068 -0.368) 1.055 2.821 ( -1.254 1.865 3.052) 3.790 3.111 ( -8.240 -7.952 -9.813) 15.081 3.467 ( 10.149 3.400 -3.883) 11.386 3.667 ( -4.394 -5.782 6.673) 9.862 3.999 ( -11.305 7.615 1.831) 13.753 4.088 ( 6.553 -1.043 -3.728) 7.611 4.444 ( -5.921 -2.693 -7.888) 10.224 4.644 ( 3.043 1.523 -0.091) 3.404 4.703 ( 7.448 1.222 -2.573) 7.974 4.912 ( 8.835 6.512 2.954) 11.366 5.157 ( 2.566 4.870 3.049) 6.292 5.229 ( 6.979 -1.413 2.954) 7.708 5.432 ( -4.820 1.745 -2.123) 5.548 5.629 ( 2.316 -4.721 -5.716) 7.767 5.794 ( -0.104 -2.599 6.020) 6.558 5.917 ( -2.261 -7.533 -1.066) 7.937 6.157 ( -1.275 -0.511 -7.492) 7.617 6.248 ( -4.536 -0.696 -6.986) 8.358 6.468 ( -0.481 -0.434 16.787) 16.799 6.946 ( -2.495 8.474 3.579) 9.531 7.255 ( -3.231 -2.748 3.297) 5.372 7.279 ( -3.747 -0.189 -1.666) 4.105 7.354 ( -2.344 -1.577 -1.097) 3.031 7.875 ( 2.999 -1.721 -1.142) 3.641 8.241 ( -0.746 -0.028 -2.881) 2.976 8.277 ( 2.276 1.405 -0.863) 2.810 8.313 ( 0.960 -0.993 -1.031) 1.724 8.404 ( 1.874 -0.304 0.726) 2.032 8.469 ( 6.046 0.927 1.113) 6.217 8.519 ( -10.302 -1.324 0.121) 10.387 8.571 ( -1.316 3.275 1.568) 3.862 8.773 ( 3.674 2.323 1.260) 4.526 8.870 ( 1.887 -2.858 -3.082) 4.607 9.170 ( 3.915 -2.233 -5.082) 6.792 9.362 ( -7.094 4.143 3.441) 8.906 10.498 ( 22.029 6.728 -5.917) 23.781 16.936 ( 4.718 -0.545 -0.491) 4.775 17.012 ( 2.930 -6.432 -0.453) 7.082 17.152 ( 0.800 0.317 -0.484) 0.987 17.362 ( 2.268 2.972 2.506) 4.501 17.456 ( -7.346 1.357 -3.703) 8.337 17.614 ( -4.348 3.745 -0.742) 5.786 17.777 ( 1.840 0.404 0.023) 1.884 17.894 ( 0.093 -2.099 2.090) 2.963 20.215 ( 0.585 0.101 6.546) 6.573 20.905 ( -1.351 -0.043 -10.079) 10.169 21.498 ( -0.769 -0.640 7.178) 7.247 21.876 ( -0.149 -0.023 -1.883) 1.889 26.199 ( -2.198 -0.443 0.294) 2.262 26.363 ( -0.697 -0.554 -1.606) 1.837 26.414 ( 2.851 1.027 2.186) 3.736 26.554 ( 0.121 -0.070 -0.995) 1.005 35.501 ( 3.968 0.390 2.870) 4.912 35.646 ( 1.103 3.122 0.617) 3.368 35.716 ( 3.560 0.500 -6.506) 7.433 35.874 ( -5.027 1.728 4.492) 6.960 36.316 ( 3.034 -3.253 -0.672) 4.499 36.533 ( -0.923 -1.193 -19.415) 19.474 37.163 ( -3.425 -2.220 27.726) 28.025 38.768 ( 7.377 4.640 -15.722) 17.975 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -10.839 3.596 22.080) 24.859 1.213 ( -26.646 -7.072 4.119) 27.874 1.739 ( -13.455 -4.354 4.201) 14.753 2.046 ( -15.631 -16.432 9.434) 24.562 2.593 ( -34.231 1.165 4.211) 34.509 2.671 ( 2.836 -4.274 -8.131) 9.614 2.847 ( -0.068 4.009 4.287) 5.870 2.985 ( 15.152 1.794 2.922) 15.536 3.518 ( 4.932 0.283 -10.072) 11.219 3.732 ( 3.644 1.675 5.577) 6.870 3.957 ( -5.326 8.086 0.235) 9.685 4.136 ( 8.411 -11.045 -1.782) 13.997 4.366 ( 7.680 0.455 -6.476) 10.056 4.599 ( -1.698 8.039 0.537) 8.234 4.905 ( 13.805 5.608 -5.942) 16.041 5.105 ( 8.033 -0.092 4.909) 9.414 5.315 ( 2.430 0.920 1.875) 3.204 5.324 ( 2.594 8.590 -2.878) 9.423 5.374 ( 3.201 -3.422 1.660) 4.971 5.578 ( 0.006 2.813 0.801) 2.925 5.790 ( -5.157 -4.044 5.213) 8.374 5.858 ( 4.418 -12.241 5.393) 14.087 6.085 ( -0.533 0.197 -5.345) 5.375 6.113 ( -2.375 -0.547 -7.318) 7.713 6.660 ( 0.217 0.961 20.441) 20.465 7.014 ( -2.511 3.703 5.621) 7.184 7.207 ( -3.970 -1.329 -0.606) 4.231 7.225 ( -2.915 -1.650 2.045) 3.924 7.287 ( -3.542 -0.859 -1.580) 3.972 7.835 ( -0.485 -1.597 -6.112) 6.336 8.194 ( -0.854 -1.852 -2.894) 3.540 8.283 ( -7.588 -0.333 -0.826) 7.640 8.311 ( 1.980 -0.153 -0.984) 2.216 8.339 ( -3.105 -0.050 -0.930) 3.241 8.420 ( -1.778 0.697 0.288) 1.931 8.576 ( 5.132 0.041 -0.774) 5.190 8.627 ( 3.201 0.118 2.755) 4.225 8.854 ( 2.755 6.961 -3.359) 8.205 8.886 ( 4.400 -1.465 2.190) 5.128 9.167 ( 3.353 -0.172 -2.820) 4.384 9.345 ( -6.146 2.388 5.412) 8.531 10.645 ( 9.934 1.351 -20.414) 22.743 17.001 ( 3.534 -4.013 -0.728) 5.397 17.033 ( 8.337 0.280 0.229) 8.345 17.179 ( 2.001 2.559 -0.355) 3.268 17.311 ( -9.186 1.940 -3.695) 10.090 17.436 ( 2.241 0.219 1.878) 2.932 17.579 ( -4.199 3.681 0.444) 5.602 17.780 ( 0.047 -1.869 -1.029) 2.134 17.868 ( -2.841 -2.835 0.576) 4.055 20.361 ( 5.350 0.921 15.460) 16.385 20.766 ( -1.204 0.138 -13.556) 13.610 21.573 ( -0.269 -0.251 9.243) 9.250 21.845 ( -0.152 0.002 -3.767) 3.770 26.173 ( -2.137 -0.196 1.022) 2.376 26.335 ( -0.681 -0.396 -1.270) 1.494 26.480 ( 2.853 0.583 1.652) 3.348 26.540 ( 0.046 -0.095 -1.841) 1.844 35.576 ( 2.970 -0.992 1.990) 3.710 35.657 ( 1.410 -0.992 -3.439) 3.847 35.721 ( -0.222 -0.317 3.203) 3.226 35.895 ( -2.369 7.878 0.692) 8.256 36.309 ( -1.415 1.136 -20.078) 20.160 36.385 ( 8.367 -6.124 6.490) 12.233 37.329 ( -9.579 -1.487 25.067) 26.876 38.520 ( -9.135 -0.818 -40.246) 41.278 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 -1.983 1.363) 2.406 1.656 ( 0.000 6.546 17.738) 18.907 1.947 ( 0.000 8.375 13.861) 16.195 2.066 ( 0.000 6.454 4.125) 7.659 2.459 ( 0.000 -5.873 3.015) 6.602 2.650 ( -0.000 6.667 -12.873) 14.497 2.953 ( -0.000 -8.685 -2.149) 8.947 3.176 ( 0.000 17.386 17.312) 24.535 3.223 ( 0.000 6.477 6.938) 9.492 3.451 ( -0.000 -2.246 -11.219) 11.442 3.639 ( -0.000 13.076 -4.241) 13.747 4.235 ( 0.000 -13.460 -1.455) 13.538 4.253 ( -0.000 -12.559 -4.465) 13.329 4.674 ( -0.000 -2.117 -2.312) 3.135 4.964 ( 0.000 -3.858 4.026) 5.576 4.996 ( -0.000 -2.786 -2.544) 3.772 5.148 ( -0.000 7.243 -4.128) 8.336 5.270 ( 0.000 -13.981 2.162) 14.147 5.499 ( -0.000 -0.299 -3.281) 3.295 5.652 ( -0.000 5.254 -2.737) 5.925 5.980 ( -0.000 -6.279 -4.519) 7.737 6.104 ( 0.000 -8.727 15.478) 17.769 6.332 ( -0.000 -4.459 -1.475) 4.697 6.429 ( 0.000 -0.691 5.005) 5.052 6.706 ( -0.000 -0.431 -12.307) 12.315 6.887 ( -0.000 11.940 -9.412) 15.204 7.318 ( -0.000 4.840 -0.192) 4.843 7.329 ( -0.000 5.088 0.186) 5.091 7.631 ( 0.000 -4.909 9.844) 11.000 7.721 ( 0.000 -6.453 5.332) 8.371 8.047 ( -0.000 -1.120 -0.226) 1.143 8.084 ( -0.000 6.586 -1.671) 6.795 8.225 ( -0.000 -4.460 -1.302) 4.646 8.237 ( -0.000 5.914 -2.318) 6.352 8.437 ( 0.000 -2.603 1.901) 3.223 8.528 ( -0.000 0.720 -2.099) 2.220 8.749 ( 0.000 -3.276 3.581) 4.854 8.841 ( 0.000 -1.795 1.452) 2.309 9.057 ( 0.000 -4.012 0.455) 4.038 9.095 ( -0.000 -6.088 -3.454) 7.000 9.372 ( -0.000 13.489 -3.812) 14.017 9.529 ( -0.000 12.617 -7.744) 14.804 17.007 ( 0.000 -1.565 0.349) 1.604 17.150 ( 0.000 -3.397 -0.605) 3.451 17.151 ( 0.000 -10.456 -0.531) 10.470 17.171 ( -0.000 4.641 0.271) 4.649 17.508 ( 0.000 2.155 0.686) 2.262 17.613 ( 0.000 -3.370 1.950) 3.893 17.713 ( -0.000 1.512 -0.870) 1.745 17.875 ( -0.000 8.703 0.342) 8.710 20.199 ( -0.000 0.121 -3.784) 3.786 21.108 ( 0.000 -4.756 -0.027) 4.756 21.527 ( -0.000 -2.206 -2.461) 3.305 21.883 ( 0.000 -0.081 1.717) 1.719 26.243 ( 0.000 1.130 1.903) 2.213 26.270 ( -0.000 0.512 -0.766) 0.921 26.452 ( -0.000 -1.328 -1.180) 1.777 26.565 ( 0.000 -0.944 0.123) 0.952 35.357 ( -0.000 -1.246 -2.986) 3.236 35.554 ( -0.000 4.250 -4.787) 6.401 35.692 ( -0.000 6.438 -3.913) 7.534 36.049 ( -0.000 18.355 -10.898) 21.346 36.166 ( 0.000 -6.229 11.372) 12.966 36.608 ( 0.000 7.103 12.865) 14.696 36.914 ( 0.000 -21.976 2.545) 22.123 38.278 ( 0.000 16.529 6.321) 17.697 ======================= Grid point 95 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -7.232 -2.609 4.197) 8.760 1.875 ( 7.385 -3.205 10.245) 13.030 2.090 ( -4.427 3.597 8.878) 10.552 2.251 ( -1.079 7.936 14.239) 16.337 2.445 ( 3.761 -1.053 0.751) 3.977 2.619 ( 1.471 2.270 -3.493) 4.418 2.781 ( -5.960 -4.348 -5.255) 9.058 3.229 ( -9.190 4.592 3.804) 10.955 3.292 ( 1.920 -2.963 -5.420) 6.469 3.607 ( 13.586 6.559 -5.015) 15.898 3.771 ( 2.614 17.778 5.933) 18.923 4.132 ( 0.444 -7.434 2.583) 7.882 4.183 ( 5.153 -8.675 -0.332) 10.096 4.638 ( -0.834 -1.187 0.563) 1.556 4.864 ( -5.127 -3.347 -6.877) 9.208 4.988 ( -8.554 0.507 2.873) 9.038 5.018 ( 1.762 -3.215 -4.145) 5.534 5.362 ( 11.686 -9.995 4.033) 15.897 5.480 ( 1.954 0.270 -1.637) 2.563 5.654 ( -2.570 -0.243 -0.942) 2.748 5.871 ( -3.995 -3.252 -1.825) 5.465 6.090 ( -8.907 -5.810 -1.810) 10.787 6.289 ( 1.465 -1.013 4.361) 4.710 6.433 ( -0.762 -1.831 -0.650) 2.087 6.542 ( -8.695 -0.369 -6.683) 10.973 6.920 ( 0.102 12.945 -4.547) 13.721 7.326 ( -0.691 5.812 -2.097) 6.217 7.398 ( 2.357 3.236 -2.812) 4.892 7.645 ( -10.824 -4.870 5.554) 13.105 7.674 ( 2.308 -5.698 5.253) 8.086 8.049 ( 1.959 -0.442 1.459) 2.482 8.132 ( 4.045 -0.050 -0.599) 4.089 8.206 ( 1.141 5.819 -0.534) 5.953 8.325 ( 6.355 1.732 -2.583) 7.075 8.436 ( -0.071 -1.527 2.729) 3.128 8.506 ( -4.507 4.010 1.466) 6.208 8.749 ( -0.083 -9.778 3.441) 10.366 8.883 ( 6.222 0.973 -2.071) 6.629 8.980 ( -1.084 -4.932 -4.260) 6.607 9.012 ( -3.815 -4.233 -0.899) 5.769 9.503 ( 3.794 12.783 -5.094) 14.274 9.582 ( 7.742 7.739 -0.350) 10.952 16.967 ( -3.752 -2.243 0.808) 4.445 17.047 ( -1.213 -8.521 -0.556) 8.625 17.164 ( 4.824 -2.969 -0.333) 5.674 17.208 ( -1.887 5.220 0.050) 5.551 17.527 ( 1.139 0.554 0.777) 1.486 17.622 ( 2.082 -2.103 -0.179) 2.965 17.738 ( 3.323 0.371 0.425) 3.370 17.914 ( -4.507 7.898 0.025) 9.094 20.182 ( -0.016 -0.011 0.347) 0.348 21.044 ( -0.945 -1.400 -6.136) 6.364 21.503 ( -0.854 -2.441 2.888) 3.877 21.890 ( -0.057 -0.063 -0.032) 0.091 26.265 ( -0.606 0.437 -0.338) 0.820 26.277 ( 1.283 0.973 1.227) 2.024 26.429 ( -0.704 -1.042 -0.410) 1.323 26.557 ( 0.016 -0.609 -0.379) 0.718 35.342 ( 1.735 -0.407 -0.796) 1.951 35.556 ( 0.775 3.959 -2.064) 4.531 35.699 ( -0.875 7.031 -5.262) 8.825 36.069 ( -0.588 10.004 -5.867) 11.612 36.226 ( 0.842 -1.227 1.908) 2.419 36.727 ( -1.836 -16.689 2.897) 17.037 36.852 ( 4.510 -0.778 16.346) 16.974 38.459 ( 4.015 12.504 -0.061) 13.133 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -12.718 -1.023 8.455) 15.306 1.972 ( 5.346 -6.848 -0.079) 8.688 2.135 ( -4.824 -0.953 10.946) 12.000 2.282 ( -7.376 -5.301 7.584) 11.832 2.443 ( -7.753 -5.992 -0.610) 9.818 2.698 ( 6.169 7.336 10.509) 14.224 2.810 ( 4.691 7.705 1.653) 9.171 3.119 ( -4.901 -0.219 -7.192) 8.706 3.259 ( 3.466 -0.569 -5.745) 6.734 3.656 ( 1.139 2.955 -4.675) 5.647 3.942 ( 8.548 -7.865 1.557) 11.720 4.196 ( 4.762 -4.401 3.659) 7.445 4.285 ( 3.354 14.772 2.608) 15.371 4.614 ( -4.082 -3.340 -9.716) 11.056 4.710 ( 1.979 1.930 2.657) 3.835 4.950 ( -3.744 8.483 1.209) 9.351 5.052 ( 5.865 -3.615 1.813) 7.124 5.402 ( -11.377 -9.066 -5.810) 15.665 5.426 ( 1.749 -11.837 5.924) 13.351 5.571 ( 0.061 -0.245 1.884) 1.901 5.808 ( -3.655 0.520 3.351) 4.986 5.951 ( -2.617 0.059 -5.583) 6.166 6.184 ( -1.559 -2.399 -17.563) 17.794 6.353 ( -2.620 -0.564 -8.900) 9.295 6.528 ( -3.864 1.297 18.739) 19.177 6.998 ( -0.159 10.636 1.252) 10.710 7.333 ( -0.302 4.548 -4.400) 6.335 7.375 ( -3.192 1.145 -2.555) 4.246 7.505 ( -10.579 -4.969 5.743) 13.023 7.725 ( 6.206 -5.150 0.918) 8.117 8.119 ( 5.179 0.500 1.422) 5.394 8.205 ( 6.894 -0.802 0.675) 6.973 8.265 ( 1.115 5.183 -1.667) 5.558 8.337 ( 0.030 -0.215 -4.134) 4.140 8.465 ( -1.554 -1.175 4.552) 4.951 8.536 ( 0.403 6.465 2.565) 6.968 8.710 ( 0.963 -6.199 3.018) 6.961 8.861 ( -4.465 -3.166 -2.088) 5.858 8.870 ( -6.825 -3.355 -1.690) 7.791 8.985 ( 8.647 -0.304 -6.511) 10.829 9.542 ( -4.482 8.343 1.981) 9.676 9.863 ( 20.965 6.445 -1.922) 22.017 16.906 ( -2.754 -2.318 0.655) 3.658 16.972 ( 0.123 -6.901 -0.637) 6.931 17.198 ( -3.942 3.374 0.069) 5.189 17.221 ( 5.841 -1.382 -0.046) 6.002 17.577 ( 2.213 2.114 0.088) 3.061 17.622 ( 1.181 0.083 -0.918) 1.498 17.806 ( 5.069 -2.297 1.401) 5.739 17.881 ( -7.401 5.930 -0.535) 9.498 20.208 ( 0.102 -0.091 4.854) 4.856 20.940 ( -1.043 0.559 -11.008) 11.071 21.524 ( -0.952 -1.718 6.976) 7.248 21.880 ( -0.126 -0.038 -1.768) 1.772 26.252 ( -1.439 0.229 0.205) 1.471 26.314 ( 2.354 0.291 -0.403) 2.406 26.413 ( -1.068 -0.393 1.255) 1.694 26.548 ( 0.236 -0.233 -1.049) 1.100 35.384 ( 3.826 0.061 1.494) 4.107 35.604 ( 1.846 4.314 1.523) 4.933 35.673 ( -1.376 5.551 -6.490) 8.650 36.062 ( -5.258 2.518 1.743) 6.085 36.214 ( 2.586 0.740 -6.655) 7.178 36.559 ( -1.015 -12.011 -7.086) 13.982 37.139 ( 4.560 -2.283 26.767) 27.248 38.568 ( 5.773 7.630 -8.819) 13.012 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -14.607 3.587 14.502) 20.893 1.839 ( -15.034 -7.523 -0.916) 16.836 2.107 ( -11.345 -9.501 6.347) 16.101 2.261 ( 13.282 -5.136 0.981) 14.274 2.362 ( -3.974 -6.272 5.058) 8.984 2.767 ( -6.381 -4.762 -8.418) 11.587 2.942 ( 0.073 6.041 14.509) 15.717 3.088 ( 0.020 10.216 -3.258) 10.723 3.295 ( 10.193 0.034 -2.839) 10.581 3.674 ( 4.261 -1.223 0.528) 4.465 3.972 ( 2.293 -1.681 -2.209) 3.601 4.210 ( -4.516 -1.223 2.423) 5.269 4.389 ( -4.655 2.976 -12.195) 13.389 4.483 ( 10.946 4.376 -3.090) 12.186 4.826 ( -8.553 -0.028 5.302) 10.064 4.971 ( -3.214 7.747 2.799) 8.842 5.114 ( 3.931 -2.275 0.992) 4.649 5.187 ( 3.481 -0.354 3.826) 5.185 5.466 ( 7.181 -12.417 5.492) 15.360 5.542 ( -7.792 4.260 -3.155) 9.424 5.764 ( -1.148 -5.002 -7.872) 9.397 5.868 ( 0.531 -2.804 3.282) 4.349 6.061 ( 2.660 0.362 -9.071) 9.460 6.205 ( -3.476 1.109 -11.580) 12.141 6.695 ( -2.463 1.763 19.771) 20.001 7.097 ( -1.055 7.492 4.061) 8.587 7.284 ( -1.623 -0.384 -3.594) 3.962 7.326 ( -3.210 2.644 -1.469) 4.411 7.392 ( -7.656 -4.985 4.282) 10.090 7.761 ( 5.924 -5.033 -3.687) 8.604 8.210 ( 4.459 1.407 0.094) 4.676 8.256 ( -2.071 1.040 -1.455) 2.736 8.293 ( -0.201 2.538 -2.926) 3.878 8.318 ( 8.408 -1.368 -0.991) 8.576 8.478 ( -1.812 0.179 3.863) 4.270 8.595 ( 0.916 -0.068 0.970) 1.336 8.681 ( -12.399 -1.683 -0.823) 12.539 8.758 ( 4.407 -3.953 2.705) 6.508 8.811 ( -0.282 3.847 -1.227) 4.047 9.032 ( 6.751 0.951 -5.824) 8.966 9.568 ( -7.886 7.137 7.405) 12.960 10.157 ( 21.578 2.369 -7.669) 23.022 16.885 ( 1.273 -0.726 0.396) 1.518 16.930 ( 1.335 -4.067 -0.744) 4.345 17.176 ( -2.333 2.263 0.437) 3.280 17.290 ( 5.643 -1.753 -0.765) 5.958 17.570 ( -4.840 3.851 -0.008) 6.185 17.668 ( 2.411 2.680 -0.932) 3.723 17.792 ( -5.553 -0.237 0.088) 5.558 17.865 ( 2.623 -2.670 0.527) 3.780 20.287 ( 1.119 -0.066 9.883) 9.947 20.805 ( -1.418 1.163 -13.800) 13.922 21.584 ( -0.521 -0.856 8.726) 8.783 21.850 ( -0.205 -0.015 -3.603) 3.609 26.234 ( -2.070 0.224 0.842) 2.245 26.328 ( 1.627 -0.652 -2.095) 2.731 26.428 ( 0.237 0.323 2.891) 2.919 26.536 ( 0.223 -0.095 -1.869) 1.885 35.469 ( 4.680 -0.505 3.422) 5.820 35.625 ( -0.615 2.981 -6.860) 7.505 35.705 ( 1.972 4.485 5.751) 7.555 36.012 ( -6.319 1.253 3.395) 7.282 36.200 ( 4.890 1.012 -7.702) 9.179 36.370 ( -1.985 -7.339 -10.500) 12.963 37.446 ( 1.256 -3.490 29.547) 29.779 38.534 ( 3.619 3.076 -21.113) 21.640 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -10.696 8.486 18.516) 23.006 1.548 ( -19.470 -2.055 3.852) 19.954 1.898 ( -12.606 -10.651 1.395) 16.562 2.208 ( -12.827 -12.884 7.436) 19.643 2.394 ( 10.328 -6.358 -12.754) 17.600 2.661 ( 11.891 -7.028 -0.163) 13.814 2.996 ( -6.976 5.119 -0.580) 8.672 3.160 ( -8.300 13.258 9.321) 18.208 3.390 ( 1.381 1.459 -4.748) 5.156 3.776 ( 6.486 -3.195 8.949) 11.505 3.918 ( -0.509 -3.706 -7.557) 8.432 4.158 ( -9.056 6.890 1.511) 11.479 4.196 ( -1.547 0.006 -11.429) 11.533 4.628 ( 5.728 1.683 -2.609) 6.515 4.775 ( 5.021 8.930 1.766) 10.396 5.125 ( 2.664 3.255 9.514) 10.403 5.200 ( 10.292 -3.341 -2.288) 11.060 5.306 ( 4.905 2.353 1.373) 5.611 5.349 ( -6.610 0.313 -10.491) 12.404 5.566 ( 9.924 -14.320 8.183) 19.249 5.730 ( 2.571 -1.080 5.653) 6.303 5.852 ( -3.158 -3.076 -1.901) 4.802 6.042 ( 2.420 0.537 -0.601) 2.551 6.062 ( -2.988 0.899 -9.197) 9.712 6.884 ( -0.622 1.996 19.146) 19.260 7.107 ( -3.204 1.534 -3.362) 4.892 7.263 ( -2.588 -1.287 0.308) 2.907 7.295 ( -5.257 -5.707 3.128) 8.366 7.304 ( -2.440 5.656 3.121) 6.906 7.719 ( 3.054 -4.804 -8.705) 10.401 8.180 ( -3.263 0.641 -3.069) 4.525 8.284 ( 0.999 3.481 -2.461) 4.379 8.296 ( 2.274 -0.625 0.271) 2.374 8.395 ( 1.069 -0.250 -1.335) 1.729 8.486 ( -3.122 0.162 1.063) 3.302 8.512 ( -4.869 0.197 0.789) 4.936 8.604 ( 1.910 -1.752 0.174) 2.597 8.792 ( 5.537 -4.964 0.914) 7.492 8.898 ( 1.692 8.927 1.609) 9.228 9.078 ( 5.341 0.647 -2.937) 6.130 9.576 ( -11.147 6.997 8.775) 15.818 10.293 ( 13.583 -1.643 -16.760) 21.635 16.931 ( 2.565 -0.312 -0.853) 2.721 16.947 ( 6.015 1.719 0.824) 6.310 17.184 ( 0.112 1.971 0.826) 2.140 17.297 ( 0.497 -4.186 -3.276) 5.338 17.533 ( -6.149 5.146 1.485) 8.155 17.674 ( -3.696 3.899 0.227) 5.378 17.747 ( 0.679 -2.875 -0.395) 2.981 17.855 ( 0.190 -5.145 -0.219) 5.154 20.446 ( 4.377 -0.256 14.757) 15.395 20.647 ( -1.662 0.983 -14.625) 14.752 21.664 ( -0.101 -0.318 8.614) 8.621 21.801 ( -0.253 0.010 -5.513) 5.519 26.218 ( -2.327 0.472 1.473) 2.794 26.315 ( 0.592 -0.741 -1.951) 2.169 26.472 ( 1.557 0.123 2.569) 3.006 26.516 ( 0.146 -0.113 -2.421) 2.428 35.545 ( 1.232 -0.031 -0.760) 1.447 35.578 ( 2.191 -1.870 -1.506) 3.251 35.824 ( -1.094 2.959 9.338) 9.856 36.001 ( -2.694 6.453 0.669) 7.024 36.147 ( -0.844 1.946 -16.592) 16.727 36.268 ( 7.106 -7.481 3.155) 10.790 37.685 ( -5.776 -1.557 26.551) 27.217 38.260 ( -5.879 -0.312 -33.003) 33.524 ======================= Grid point 103 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.000 -6.235 7.442) 9.709 1.858 ( 0.000 -6.343 8.771) 10.824 2.249 ( 0.000 2.583 6.040) 6.569 2.405 ( 0.000 -2.177 1.570) 2.684 2.527 ( 0.000 5.881 13.415) 14.648 2.569 ( 0.000 5.324 4.360) 6.882 2.727 ( -0.000 -7.866 -4.019) 8.833 3.192 ( -0.000 -0.938 -7.073) 7.135 3.382 ( -0.000 4.858 -3.284) 5.864 3.450 ( -0.000 3.449 -7.062) 7.860 3.937 ( 0.000 2.200 4.374) 4.896 4.062 ( 0.000 -6.595 1.199) 6.704 4.210 ( 0.000 16.021 8.900) 18.327 4.622 ( 0.000 -3.699 0.287) 3.710 4.770 ( -0.000 -10.407 -11.334) 15.387 4.922 ( 0.000 -1.954 1.317) 2.357 5.159 ( 0.000 -18.796 10.264) 21.416 5.163 ( -0.000 8.158 -6.942) 10.712 5.480 ( 0.000 -0.529 5.059) 5.087 5.687 ( 0.000 0.835 1.170) 1.437 5.828 ( -0.000 0.961 -6.353) 6.426 6.037 ( -0.000 -3.362 -13.847) 14.249 6.301 ( 0.000 -1.070 2.927) 3.117 6.375 ( -0.000 -0.217 -8.056) 8.059 6.655 ( 0.000 2.248 7.921) 8.234 6.985 ( -0.000 9.348 -0.240) 9.351 7.342 ( -0.000 4.438 -4.969) 6.663 7.354 ( -0.000 3.895 -5.250) 6.537 7.639 ( 0.000 -6.503 1.537) 6.683 7.769 ( 0.000 -3.701 5.805) 6.885 8.040 ( 0.000 -1.156 1.146) 1.628 8.083 ( 0.000 -2.518 1.597) 2.981 8.259 ( -0.000 7.634 -0.242) 7.638 8.267 ( -0.000 3.124 -1.433) 3.437 8.450 ( 0.000 -2.560 3.684) 4.486 8.606 ( 0.000 3.882 2.846) 4.814 8.693 ( 0.000 -11.429 3.584) 11.978 8.809 ( -0.000 2.511 -5.937) 6.446 8.899 ( -0.000 -3.535 -4.128) 5.434 9.018 ( 0.000 -2.952 -0.378) 2.976 9.507 ( -0.000 8.868 -1.696) 9.028 9.619 ( 0.000 8.473 1.853) 8.674 16.978 ( 0.000 -5.292 -0.273) 5.299 17.021 ( 0.000 -2.794 1.640) 3.239 17.089 ( -0.000 -2.037 -0.665) 2.143 17.275 ( -0.000 6.761 0.280) 6.767 17.546 ( 0.000 0.996 0.519) 1.123 17.550 ( 0.000 -6.924 0.310) 6.931 17.722 ( -0.000 1.476 -0.607) 1.596 18.000 ( -0.000 5.880 -0.609) 5.912 20.206 ( 0.000 -0.125 4.539) 4.541 20.956 ( -0.000 0.856 -11.487) 11.519 21.539 ( 0.000 -2.449 6.770) 7.199 21.882 ( -0.000 -0.063 -1.696) 1.697 26.273 ( 0.000 0.606 0.208) 0.640 26.279 ( -0.000 0.197 -0.025) 0.199 26.430 ( 0.000 -0.571 0.944) 1.103 26.545 ( -0.000 -0.389 -1.119) 1.184 35.325 ( 0.000 0.015 0.708) 0.708 35.575 ( 0.000 3.793 0.962) 3.913 35.728 ( -0.000 8.453 -4.789) 9.715 36.026 ( -0.000 13.781 -16.135) 21.219 36.283 ( 0.000 -7.676 9.921) 12.544 36.576 ( 0.000 -16.934 -2.943) 17.188 37.031 ( 0.000 -2.500 24.920) 25.045 38.485 ( -0.000 9.180 -7.068) 11.585 ======================= Grid point 104 (41/65) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.664 -5.401 7.786) 9.499 1.865 ( -1.558 -7.359 2.201) 7.837 2.279 ( -0.112 -3.512 5.218) 6.291 2.340 ( -7.724 -6.036 2.392) 10.090 2.510 ( -8.212 -7.216 -0.550) 10.946 2.666 ( 9.940 -1.695 4.823) 11.178 2.907 ( 5.168 9.712 16.283) 19.651 3.120 ( -4.679 1.085 -10.243) 11.313 3.217 ( -5.378 3.730 -5.163) 8.336 3.542 ( 10.235 6.786 -10.081) 15.888 3.927 ( -4.147 -4.383 9.362) 11.138 4.111 ( 6.061 -4.109 3.674) 8.193 4.424 ( -2.563 15.220 1.045) 15.470 4.506 ( -4.091 -10.700 -11.929) 16.539 4.668 ( 8.680 -1.762 3.289) 9.448 4.984 ( 4.327 0.406 4.553) 6.294 5.048 ( -3.332 -3.216 1.874) 4.996 5.229 ( 7.105 -5.556 -1.808) 9.199 5.535 ( -6.735 0.353 3.109) 7.426 5.622 ( -3.858 -0.220 0.620) 3.914 5.823 ( 2.935 1.017 -0.727) 3.191 5.921 ( 4.244 0.102 -9.306) 10.229 6.156 ( -17.333 -0.424 -6.652) 18.570 6.280 ( -1.638 1.995 -11.459) 11.747 6.765 ( -2.270 2.479 15.342) 15.706 7.067 ( 1.785 5.178 2.292) 5.938 7.304 ( -0.298 3.412 -8.379) 9.052 7.354 ( 2.982 3.577 -6.284) 7.821 7.606 ( 2.522 -6.791 -0.856) 7.294 7.694 ( -11.028 -4.451 5.931) 13.289 8.091 ( 4.479 0.557 1.851) 4.879 8.115 ( 2.835 -2.143 2.987) 4.643 8.287 ( 0.785 4.780 -2.158) 5.303 8.322 ( -0.329 4.579 -0.557) 4.624 8.490 ( 2.503 -1.909 4.754) 5.702 8.607 ( -3.201 -0.532 0.769) 3.335 8.646 ( 2.487 -10.567 2.995) 11.262 8.803 ( 4.287 1.134 -7.358) 8.591 8.871 ( 0.421 4.467 -0.650) 4.533 8.952 ( -5.489 -1.667 -1.094) 5.840 9.626 ( 11.367 4.156 -2.228) 12.307 9.725 ( -1.508 8.695 6.918) 11.213 16.930 ( -0.892 -3.195 -0.461) 3.349 16.965 ( -5.724 -1.609 1.591) 6.155 17.129 ( 5.397 -0.838 -0.146) 5.464 17.296 ( -4.736 4.287 0.499) 6.408 17.516 ( 4.611 -3.064 -0.347) 5.547 17.597 ( 3.392 -0.303 0.363) 3.425 17.743 ( 2.427 0.202 0.016) 2.435 17.993 ( -4.514 2.977 -1.394) 5.584 20.272 ( 0.203 -0.231 8.491) 8.497 20.835 ( -0.640 2.320 -13.960) 14.166 21.597 ( -0.298 -1.570 8.181) 8.335 21.855 ( -0.095 -0.082 -3.419) 3.421 26.277 ( -0.834 0.513 0.761) 1.240 26.279 ( 1.156 -0.658 -1.171) 1.772 26.440 ( -0.457 -0.019 2.155) 2.203 26.530 ( 0.174 -0.006 -1.789) 1.797 35.361 ( 2.368 0.553 2.587) 3.550 35.638 ( 0.990 3.472 3.552) 5.065 35.713 ( -3.633 7.855 -4.667) 9.832 36.007 ( 5.412 10.415 -14.866) 18.940 36.240 ( -5.056 -12.292 5.687) 14.457 36.434 ( -2.425 -7.285 -3.216) 8.324 37.311 ( 5.740 -5.721 28.929) 30.043 38.448 ( 1.772 4.479 -14.485) 15.265 ======================= Grid point 105 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.965 -2.342 8.661) 9.450 1.791 ( 3.531 -4.952 -7.020) 9.288 2.168 ( -6.547 -12.594 0.236) 14.196 2.219 ( -9.915 -11.828 5.738) 16.467 2.397 ( -2.161 -2.637 4.491) 5.638 2.730 ( -8.537 -3.543 -9.623) 13.343 3.002 ( 10.926 -0.741 1.868) 11.109 3.110 ( 1.271 2.202 5.874) 6.401 3.317 ( 3.574 10.258 7.385) 13.136 3.589 ( 0.883 11.604 -10.516) 15.685 3.977 ( 0.256 -2.914 10.076) 10.492 4.153 ( 0.350 -8.432 -3.834) 9.269 4.309 ( 7.176 -5.692 -5.203) 10.534 4.451 ( -3.123 9.754 -2.559) 10.557 4.846 ( 11.043 -3.127 2.129) 11.673 5.020 ( -3.001 1.040 3.101) 4.439 5.140 ( 6.543 4.329 3.164) 8.460 5.242 ( -2.161 1.122 -2.176) 3.266 5.356 ( -5.881 -5.581 1.237) 8.201 5.692 ( -0.768 1.036 9.495) 9.582 5.742 ( -19.402 -1.736 -10.992) 22.367 5.881 ( 0.914 0.939 -4.897) 5.069 5.935 ( 3.613 0.556 0.316) 3.669 6.148 ( -2.823 2.771 -11.385) 12.052 6.915 ( -1.198 1.490 15.086) 15.206 7.140 ( 1.262 2.221 -2.447) 3.537 7.239 ( 1.485 0.628 -4.491) 4.772 7.345 ( -0.631 3.494 -5.067) 6.187 7.568 ( -6.113 -5.068 3.982) 8.883 7.580 ( 0.403 -5.946 -1.454) 6.135 8.173 ( 3.705 -2.005 2.563) 4.931 8.193 ( 6.632 1.126 1.413) 6.874 8.287 ( -1.749 1.960 -2.309) 3.497 8.321 ( -3.021 5.432 -0.975) 6.291 8.543 ( -0.043 -0.614 3.166) 3.225 8.567 ( -0.713 -2.371 -0.051) 2.477 8.644 ( 4.933 -9.427 0.960) 10.683 8.813 ( -7.888 -1.144 -1.804) 8.173 8.852 ( 4.752 4.754 -0.706) 6.759 8.933 ( 0.791 7.429 -1.619) 7.644 9.802 ( 13.349 0.709 -2.745) 13.647 9.841 ( -2.141 7.537 7.561) 10.889 16.901 ( -3.176 -0.490 0.986) 3.362 16.903 ( -0.488 0.366 -0.605) 0.859 17.196 ( 5.052 -0.531 -0.723) 5.131 17.252 ( -4.882 1.503 1.286) 5.268 17.589 ( 7.337 -0.989 -0.920) 7.461 17.636 ( 0.232 2.248 1.063) 2.498 17.781 ( 3.461 -2.731 0.385) 4.426 17.903 ( -7.453 -0.063 -1.675) 7.639 20.381 ( 1.054 -0.375 12.066) 12.118 20.695 ( -1.545 2.777 -14.995) 15.328 21.668 ( -0.137 -0.754 8.164) 8.199 21.808 ( -0.217 -0.098 -5.288) 5.294 26.274 ( -1.540 0.498 1.327) 2.093 26.277 ( 1.676 -1.215 -1.788) 2.735 26.460 ( -0.311 0.201 2.758) 2.782 26.512 ( 0.120 0.250 -2.390) 2.406 35.445 ( 3.841 0.202 4.367) 5.819 35.621 ( -3.760 3.632 -5.542) 7.618 35.787 ( 2.344 5.144 8.302) 10.044 36.014 ( 4.682 7.775 -13.787) 16.506 36.131 ( -1.344 -11.626 4.072) 12.392 36.298 ( -7.082 -1.318 -4.292) 8.385 37.659 ( 6.817 -6.601 31.401) 32.803 38.298 ( 0.261 0.516 -22.873) 22.880 ======================= Grid point 106 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -2.942 -2.398 -6.462) 7.494 1.706 ( -0.605 -3.747 6.462) 7.494 2.033 ( 7.066 -14.031 -6.743) 17.096 2.033 ( -15.684 -0.896 6.743) 17.096 2.426 ( -5.472 -6.439 -11.558) 14.317 2.426 ( -2.840 -7.958 11.558) 14.317 3.154 ( 7.458 -2.281 -3.948) 8.742 3.154 ( -5.704 5.319 3.948) 8.742 3.564 ( 6.250 7.066 -13.534) 16.497 3.564 ( 2.994 8.946 13.534) 16.497 4.019 ( 2.802 -5.809 -6.571) 9.207 4.019 ( -6.432 -0.478 6.571) 9.207 4.453 ( 2.754 4.732 -2.955) 6.222 4.453 ( 2.721 4.751 2.955) 6.222 4.940 ( 11.795 -9.385 -3.536) 15.483 4.940 ( -14.026 5.522 3.536) 15.483 5.240 ( 2.484 2.264 -6.798) 7.583 5.240 ( 0.719 3.283 6.798) 7.583 5.384 ( -11.669 1.741 -7.571) 14.018 5.384 ( 7.342 -9.235 7.571) 14.018 5.805 ( -1.079 0.796 -10.109) 10.197 5.805 ( 1.229 -0.537 10.109) 10.197 6.032 ( -2.821 2.582 -7.320) 8.258 6.032 ( 3.646 -1.152 7.320) 8.258 7.057 ( -0.238 0.836 -12.545) 12.575 7.057 ( 0.843 0.211 12.545) 12.575 7.285 ( -3.336 -0.187 -4.386) 5.514 7.285 ( 1.506 -2.983 4.386) 5.514 7.515 ( 5.266 -6.447 -10.112) 13.098 7.515 ( -8.217 1.337 10.112) 13.098 8.231 ( -4.098 2.164 -1.631) 4.913 8.231 ( 3.923 -2.466 1.631) 4.913 8.318 ( -1.877 5.861 -1.449) 6.322 8.318 ( 6.014 1.305 1.449) 6.322 8.544 ( 1.417 -2.886 -1.980) 3.776 8.544 ( -3.208 -0.216 1.980) 3.776 8.662 ( -9.788 1.786 -0.716) 9.975 8.662 ( 6.440 -7.583 0.716) 9.975 8.980 ( 4.597 4.304 -3.699) 7.303 8.980 ( 1.429 6.133 3.699) 7.303 9.918 ( 14.708 -4.637 -12.897) 20.104 9.918 ( -11.370 10.419 12.897) 20.104 16.912 ( 0.705 3.492 -1.046) 3.713 16.912 ( 2.671 2.356 1.046) 3.713 17.226 ( 1.882 -1.795 -2.034) 3.302 17.226 ( -2.495 0.732 2.034) 3.302 17.656 ( 4.549 -1.130 -1.719) 4.993 17.656 ( -3.253 3.375 1.719) 4.993 17.786 ( 0.927 -4.965 -1.539) 5.280 17.786 ( -4.763 -1.680 1.539) 5.280 20.538 ( -2.141 2.150 -14.664) 14.974 20.538 ( 2.933 -0.779 14.664) 14.974 21.741 ( -0.298 -0.080 -7.167) 7.174 21.741 ( 0.080 -0.298 7.167) 7.174 26.271 ( 1.617 -1.343 -1.877) 2.818 26.271 ( -1.971 0.729 1.877) 2.818 26.488 ( -0.049 0.254 -2.727) 2.739 26.488 ( 0.244 0.085 2.727) 2.739 35.540 ( -3.010 1.846 -5.198) 6.284 35.540 ( 3.104 -1.684 5.198) 6.284 35.966 ( 2.219 3.053 -12.661) 13.211 35.966 ( 1.534 3.448 12.661) 13.211 36.146 ( -5.377 1.535 -5.465) 7.819 36.146 ( 4.018 -3.889 5.465) 7.819 37.994 ( -4.191 -1.219 -31.092) 31.397 37.994 ( 1.040 -4.239 31.092) 31.397 ======================= Grid point 113 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.000 -7.224 -4.515) 8.519 1.853 ( 0.000 -14.717 2.646) 14.953 2.224 ( -0.000 -9.403 -2.806) 9.813 2.434 ( 0.000 -12.094 5.954) 13.480 2.462 ( 0.000 -4.058 6.463) 7.631 2.684 ( 0.000 8.234 2.934) 8.742 3.018 ( -0.000 -0.562 -1.161) 1.290 3.138 ( 0.000 5.121 5.274) 7.351 3.204 ( -0.000 -1.199 -15.851) 15.896 3.468 ( 0.000 14.543 6.071) 15.760 4.061 ( 0.000 -0.186 9.211) 9.213 4.072 ( 0.000 -2.624 4.753) 5.429 4.282 ( -0.000 -20.052 -10.946) 22.845 4.540 ( -0.000 0.013 -2.380) 2.380 4.628 ( -0.000 9.877 1.112) 9.939 5.017 ( 0.000 4.009 4.713) 6.187 5.054 ( 0.000 -7.076 6.120) 9.355 5.156 ( -0.000 6.327 -3.842) 7.402 5.630 ( -0.000 1.757 -10.737) 10.879 5.676 ( 0.000 0.156 9.857) 9.858 5.729 ( -0.000 4.265 -6.757) 7.990 5.852 ( 0.000 -2.024 4.155) 4.622 6.187 ( -0.000 3.745 -12.156) 12.720 6.264 ( -0.000 -0.217 -5.058) 5.062 6.932 ( 0.000 2.112 11.664) 11.853 7.092 ( 0.000 1.515 0.900) 1.762 7.222 ( -0.000 1.509 -11.975) 12.070 7.275 ( -0.000 2.713 -6.486) 7.031 7.532 ( -0.000 -5.703 -2.242) 6.128 7.787 ( 0.000 -5.929 4.537) 7.466 8.070 ( 0.000 0.344 2.862) 2.882 8.156 ( 0.000 1.855 4.868) 5.210 8.291 ( -0.000 2.162 -0.254) 2.176 8.382 ( -0.000 7.721 -0.130) 7.722 8.485 ( 0.000 -3.842 3.723) 5.350 8.551 ( 0.000 -12.319 1.950) 12.472 8.622 ( 0.000 -2.216 0.615) 2.300 8.712 ( -0.000 3.898 -7.607) 8.548 8.933 ( 0.000 5.515 1.757) 5.789 8.971 ( -0.000 0.781 -0.529) 0.943 9.523 ( -0.000 0.171 -3.971) 3.975 9.920 ( 0.000 9.727 12.673) 15.975 16.926 ( -0.000 0.645 -0.072) 0.649 17.050 ( 0.000 -1.457 3.578) 3.863 17.063 ( -0.000 0.677 -0.689) 0.966 17.379 ( 0.000 2.723 0.955) 2.886 17.426 ( -0.000 -4.436 -1.930) 4.838 17.557 ( 0.000 -0.746 0.285) 0.798 17.740 ( -0.000 1.461 0.256) 1.483 18.019 ( -0.000 -0.098 -2.024) 2.026 20.368 ( 0.000 -0.420 11.451) 11.459 20.719 ( -0.000 3.967 -15.116) 15.628 21.670 ( 0.000 -0.993 7.931) 7.993 21.812 ( -0.000 -0.176 -5.164) 5.167 26.250 ( -0.000 -1.304 -1.479) 1.971 26.296 ( 0.000 0.384 1.242) 1.301 26.467 ( 0.000 0.142 2.531) 2.535 26.510 ( -0.000 0.572 -2.267) 2.338 35.386 ( 0.000 1.493 4.159) 4.419 35.699 ( 0.000 3.008 2.400) 3.848 35.780 ( -0.000 7.352 0.340) 7.360 35.881 ( -0.000 7.873 -14.472) 16.475 36.160 ( 0.000 -15.621 -0.612) 15.633 36.451 ( 0.000 1.025 1.215) 1.590 37.499 ( 0.000 -10.302 30.527) 32.219 38.294 ( -0.000 0.690 -17.866) 17.879 ======================= Grid point 114 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 7.215 -5.824 -13.086) 16.038 1.694 ( -0.122 -19.842 -2.656) 20.019 2.083 ( -0.300 -15.997 -3.990) 16.490 2.373 ( -5.211 -10.198 10.508) 15.542 2.459 ( -8.109 0.171 0.376) 8.119 2.785 ( -4.939 7.853 -0.898) 9.321 2.895 ( 0.359 -4.998 -2.798) 5.740 3.091 ( 7.833 0.369 -7.334) 10.736 3.282 ( 5.060 1.373 4.339) 6.806 3.736 ( 1.958 18.047 9.434) 20.458 4.007 ( -1.574 -15.287 -6.589) 16.721 4.069 ( 0.381 -6.821 2.487) 7.270 4.157 ( -0.237 -0.197 5.800) 5.808 4.557 ( -1.528 9.667 1.978) 9.985 4.686 ( 6.259 -3.340 -2.105) 7.401 5.094 ( 1.804 6.447 0.196) 6.697 5.130 ( 2.103 6.039 1.949) 6.685 5.219 ( 3.058 1.844 5.322) 6.409 5.444 ( -9.589 2.114 -8.015) 12.675 5.716 ( 5.979 2.990 -11.612) 13.398 5.807 ( -0.517 -0.338 9.822) 9.842 5.893 ( -3.826 -2.481 5.764) 7.350 6.052 ( -12.606 0.935 -3.930) 13.237 6.101 ( -3.800 1.808 -8.623) 9.595 7.013 ( 1.406 0.706 -5.043) 5.283 7.078 ( -1.076 -0.100 -2.982) 3.172 7.184 ( 5.141 0.037 1.666) 5.404 7.272 ( 4.547 1.625 -5.560) 7.364 7.441 ( -1.699 -6.945 -4.197) 8.290 7.744 ( -6.230 -4.026 6.470) 9.843 8.127 ( 2.421 -0.465 3.539) 4.313 8.212 ( -0.162 2.456 3.701) 4.445 8.305 ( -0.546 2.298 -0.768) 2.484 8.400 ( -2.458 1.365 1.043) 2.999 8.488 ( 2.868 -7.427 0.823) 8.004 8.523 ( 2.518 -3.418 -0.599) 4.287 8.620 ( -2.179 1.455 1.794) 3.175 8.737 ( 7.571 4.320 -2.575) 9.089 8.902 ( -4.639 1.150 -2.487) 5.388 9.026 ( -1.396 6.685 3.225) 7.553 9.534 ( 9.344 -3.468 -5.734) 11.499 10.121 ( -3.293 9.608 16.084) 19.022 16.933 ( -1.523 3.986 -0.165) 4.270 16.981 ( -6.783 -0.471 1.521) 6.968 17.134 ( 3.917 1.212 0.364) 4.116 17.341 ( -3.791 -2.969 2.385) 5.373 17.455 ( 6.711 0.223 -2.321) 7.104 17.602 ( 5.428 -0.668 0.247) 5.474 17.757 ( 0.019 0.608 0.774) 0.985 17.956 ( -4.097 -2.515 -2.022) 5.216 20.495 ( 0.624 -0.641 13.653) 13.682 20.592 ( -1.283 4.741 -15.538) 16.296 21.740 ( 0.033 -0.484 6.978) 6.995 21.748 ( -0.136 -0.255 -7.008) 7.014 26.229 ( 0.960 -1.679 -1.552) 2.480 26.308 ( -0.673 0.146 1.617) 1.758 26.491 ( -0.229 0.574 0.294) 0.684 26.493 ( -0.140 0.747 -0.211) 0.788 35.464 ( 1.727 1.826 5.659) 6.192 35.662 ( -5.171 3.179 -4.871) 7.783 35.843 ( 4.059 3.260 -5.795) 7.790 35.897 ( 3.651 5.182 1.872) 6.610 36.057 ( 0.541 -9.708 2.840) 10.130 36.409 ( -8.153 2.658 -1.394) 8.688 37.750 ( 8.886 -12.208 19.472) 24.640 38.119 ( -1.794 -2.106 -8.588) 9.023 ======================= Grid point 122 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 -6.197 -19.476) 20.439 1.448 ( 0.000 -28.307 -4.847) 28.719 1.894 ( -0.000 -16.146 -5.939) 17.204 2.320 ( -0.000 -12.711 -5.047) 13.677 2.621 ( 0.000 1.200 8.731) 8.814 2.785 ( -0.000 -22.498 -8.734) 24.134 2.838 ( -0.000 -1.614 -5.938) 6.153 2.926 ( -0.000 12.415 1.352) 12.488 3.370 ( 0.000 5.474 10.986) 12.274 3.809 ( -0.000 -7.643 -8.455) 11.398 3.874 ( 0.000 0.261 6.665) 6.670 4.158 ( 0.000 14.571 3.261) 14.932 4.260 ( 0.000 1.929 6.958) 7.220 4.571 ( -0.000 -5.971 -2.225) 6.372 4.716 ( 0.000 13.414 8.298) 15.773 5.102 ( -0.000 8.728 -4.605) 9.868 5.210 ( -0.000 9.209 0.976) 9.261 5.279 ( 0.000 -0.253 7.086) 7.091 5.500 ( -0.000 -0.142 -0.789) 0.802 5.536 ( -0.000 6.447 -16.205) 17.440 5.876 ( 0.000 -4.763 2.597) 5.425 5.963 ( 0.000 -1.170 5.878) 5.993 6.057 ( -0.000 0.990 0.048) 0.991 6.122 ( -0.000 -1.607 -5.921) 6.135 6.855 ( -0.000 0.299 -19.299) 19.301 7.037 ( -0.000 0.764 -6.795) 6.838 7.189 ( 0.000 -0.625 6.298) 6.329 7.216 ( 0.000 -2.176 0.059) 2.177 7.367 ( -0.000 -5.955 -4.335) 7.365 7.809 ( 0.000 -3.842 5.801) 6.958 8.162 ( 0.000 0.831 4.622) 4.696 8.270 ( 0.000 2.557 1.443) 2.936 8.320 ( -0.000 1.127 -0.072) 1.130 8.358 ( 0.000 -11.233 1.901) 11.393 8.435 ( 0.000 -5.024 0.424) 5.041 8.539 ( -0.000 7.637 -0.011) 7.637 8.649 ( -0.000 4.061 -5.133) 6.545 8.718 ( 0.000 3.294 6.417) 7.213 8.920 ( -0.000 1.857 -2.687) 3.266 9.118 ( 0.000 4.667 3.587) 5.887 9.387 ( -0.000 -3.835 -5.266) 6.515 10.395 ( 0.000 8.220 19.717) 21.362 16.988 ( -0.000 5.967 0.228) 5.971 17.087 ( -0.000 3.444 -0.205) 3.451 17.110 ( 0.000 -1.027 4.343) 4.463 17.278 ( 0.000 -7.247 -0.602) 7.272 17.460 ( -0.000 4.492 -1.337) 4.686 17.535 ( 0.000 -2.258 0.199) 2.267 17.776 ( 0.000 0.567 1.382) 1.494 17.934 ( -0.000 -4.414 -2.171) 4.919 20.488 ( -0.000 6.252 -16.085) 17.257 20.626 ( 0.000 -0.828 14.417) 14.441 21.667 ( -0.000 -0.377 -8.581) 8.590 21.799 ( 0.000 -0.247 5.493) 5.498 26.194 ( -0.000 -1.925 -1.300) 2.323 26.327 ( 0.000 -0.504 1.546) 1.626 26.484 ( -0.000 2.284 -2.218) 3.183 26.519 ( 0.000 0.058 2.306) 2.307 35.536 ( 0.000 3.313 6.027) 6.877 35.692 ( -0.000 0.759 -3.520) 3.601 35.738 ( -0.000 4.560 -7.891) 9.114 35.875 ( -0.000 -5.113 -1.434) 5.310 36.116 ( 0.000 0.337 15.040) 15.043 36.477 ( -0.000 5.031 -4.449) 6.716 37.591 ( -0.000 -12.593 -14.097) 18.903 38.202 ( 0.000 -9.106 29.173) 30.561 ======================= Grid point 151 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 -0.000 21.780) 21.780 1.296 ( 0.000 -0.000 21.780) 21.780 1.847 ( 0.000 -0.000 4.530) 4.530 1.847 ( 0.000 -0.000 4.530) 4.530 2.374 ( 0.000 -0.000 34.067) 34.067 2.714 ( -0.000 0.000 -22.282) 22.282 2.808 ( 0.000 -0.000 7.198) 7.198 2.808 ( 0.000 -0.000 7.198) 7.198 3.260 ( -0.000 0.000 -10.110) 10.110 3.598 ( -0.000 0.000 -8.443) 8.443 3.598 ( -0.000 0.000 -8.443) 8.443 4.598 ( -0.000 0.000 -15.995) 15.995 4.617 ( -0.000 0.000 -3.483) 3.483 4.617 ( -0.000 0.000 -3.483) 3.483 5.024 ( -0.000 0.000 -1.516) 1.516 5.024 ( -0.000 0.000 -1.516) 1.516 5.159 ( 0.000 -0.000 1.489) 1.489 5.327 ( 0.000 -0.000 18.946) 18.946 5.543 ( -0.000 0.000 -7.551) 7.551 5.543 ( -0.000 0.000 -7.551) 7.551 6.147 ( 0.000 -0.000 10.618) 10.618 6.147 ( 0.000 -0.000 10.618) 10.618 6.386 ( -0.000 0.000 -18.661) 18.661 6.561 ( 0.000 -0.000 7.528) 7.528 6.834 ( -0.000 0.000 -12.216) 12.216 6.834 ( -0.000 0.000 -12.216) 12.216 7.193 ( 0.000 -0.000 1.071) 1.071 7.193 ( 0.000 -0.000 1.071) 1.071 7.588 ( 0.000 -0.000 17.431) 17.431 7.882 ( -0.000 0.000 -1.755) 1.755 8.051 ( -0.000 0.000 -0.924) 0.924 8.051 ( -0.000 0.000 -0.924) 0.924 8.123 ( -0.000 0.000 -2.902) 2.902 8.510 ( 0.000 -0.000 0.750) 0.750 8.510 ( 0.000 -0.000 0.750) 0.750 8.604 ( 0.000 -0.000 2.654) 2.654 8.695 ( -0.000 0.000 -5.101) 5.101 8.695 ( -0.000 0.000 -5.101) 5.101 8.914 ( 0.000 -0.000 4.026) 4.026 9.123 ( 0.000 -0.000 2.625) 2.625 9.289 ( -0.000 0.000 -1.940) 1.940 9.289 ( -0.000 0.000 -1.940) 1.940 17.066 ( -0.000 -0.000 0.120) 0.120 17.066 ( 0.000 -0.000 0.120) 0.120 17.307 ( -0.000 0.000 -1.548) 1.548 17.307 ( -0.000 0.000 -1.548) 1.548 17.520 ( 0.000 -0.000 2.767) 2.767 17.520 ( 0.000 -0.000 2.767) 2.767 17.709 ( -0.000 -0.000 -0.186) 0.186 17.709 ( 0.000 0.000 -0.186) 0.186 20.252 ( -0.000 0.000 -7.351) 7.351 21.251 ( -0.000 0.000 -2.559) 2.559 21.617 ( -0.000 0.000 -4.244) 4.244 21.858 ( 0.000 -0.000 3.583) 3.583 26.203 ( 0.000 -0.000 1.993) 1.993 26.270 ( -0.000 0.000 -1.082) 1.082 26.498 ( -0.000 0.000 -1.551) 1.551 26.584 ( 0.000 -0.000 0.184) 0.184 35.454 ( -0.000 0.000 -5.016) 5.016 35.454 ( -0.000 0.000 -5.016) 5.016 35.657 ( -0.000 0.000 -4.587) 4.587 35.657 ( -0.000 0.000 -4.587) 4.587 36.240 ( 0.000 -0.000 13.772) 13.772 36.240 ( 0.000 -0.000 13.772) 13.772 37.560 ( 0.000 -0.000 9.620) 9.620 37.560 ( 0.000 -0.000 9.620) 9.620 ======================= Grid point 152 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.496 0.287 9.620) 9.637 1.575 ( 6.534 3.772 21.834) 23.101 1.836 ( -1.627 -0.940 15.111) 15.228 2.077 ( 11.444 6.607 8.277) 15.593 2.497 ( -5.578 -3.220 -11.077) 12.814 2.693 ( -4.945 -2.855 -1.379) 5.874 2.734 ( 4.209 2.430 25.890) 26.342 3.057 ( -2.000 -1.155 -2.776) 3.611 3.188 ( 12.225 7.058 4.274) 14.750 3.446 ( -5.067 -2.925 -6.927) 9.067 3.569 ( 4.658 2.689 -10.516) 11.812 4.445 ( -1.070 -0.618 -8.025) 8.119 4.503 ( -1.653 -0.954 -5.732) 6.042 4.632 ( -0.316 -0.183 -4.084) 4.100 4.858 ( -11.979 -6.916 4.385) 14.511 5.084 ( 0.556 0.321 -5.846) 5.881 5.120 ( -3.040 -1.755 0.669) 3.574 5.491 ( 0.190 0.110 0.584) 0.624 5.500 ( 4.491 2.593 -3.632) 6.331 5.531 ( 3.842 2.218 4.744) 6.495 6.083 ( -6.861 -3.961 -3.108) 8.510 6.309 ( 0.686 0.396 11.391) 11.418 6.311 ( 2.370 1.368 2.051) 3.420 6.454 ( -15.239 -8.798 3.348) 17.912 6.684 ( -1.632 -0.942 -15.001) 15.119 6.726 ( 2.060 1.190 -13.613) 13.819 7.195 ( 1.145 0.661 -0.472) 1.403 7.289 ( 7.270 4.197 -1.160) 8.474 7.708 ( -2.814 -1.625 12.432) 12.849 7.812 ( -8.525 -4.922 0.382) 9.851 8.032 ( 0.383 0.221 0.991) 1.085 8.043 ( 0.104 0.060 2.523) 2.526 8.124 ( 2.448 1.413 -1.212) 3.075 8.340 ( -4.914 -2.837 -2.382) 6.154 8.495 ( -4.867 -2.810 4.328) 7.093 8.499 ( -0.119 -0.068 -4.757) 4.759 8.891 ( 2.850 1.645 -1.491) 3.613 8.903 ( 13.938 8.047 2.764) 16.329 8.972 ( 10.781 6.224 -4.626) 13.280 9.112 ( -3.577 -2.065 1.628) 4.440 9.198 ( -1.951 -1.126 -5.354) 5.808 9.351 ( 6.165 3.559 -1.355) 7.247 17.049 ( -1.441 -0.832 0.384) 1.708 17.071 ( -0.952 -0.550 0.461) 1.192 17.243 ( -2.057 -1.187 -0.954) 2.559 17.306 ( -0.336 -0.194 -2.033) 2.069 17.526 ( 1.146 0.662 2.550) 2.873 17.596 ( 1.807 1.044 2.291) 3.099 17.674 ( -1.593 -0.920 -0.870) 2.035 17.752 ( 2.550 1.472 0.132) 2.948 20.198 ( 0.048 0.028 -3.587) 3.588 21.173 ( -2.670 -1.542 -5.809) 6.576 21.570 ( -2.361 -1.363 -0.443) 2.763 21.884 ( -0.058 -0.033 1.704) 1.705 26.230 ( 0.836 0.483 1.974) 2.197 26.262 ( 0.062 0.036 -0.859) 0.862 26.473 ( -1.064 -0.614 -1.250) 1.753 26.578 ( -0.485 -0.280 -0.186) 0.590 35.374 ( -0.995 -0.574 -2.793) 3.020 35.477 ( 3.417 1.973 -5.062) 6.419 35.630 ( 2.109 1.218 -5.815) 6.304 35.735 ( 13.003 7.507 -6.887) 16.519 36.275 ( -5.948 -3.434 12.085) 13.901 36.509 ( 5.734 3.310 19.746) 20.827 37.308 ( -16.360 -9.445 3.562) 19.223 37.957 ( 16.382 9.458 6.097) 19.875 ======================= Grid point 153 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -8.252 -4.765 4.228) 10.425 1.909 ( 4.747 2.740 22.923) 23.569 2.052 ( 1.790 1.033 17.704) 17.824 2.290 ( -8.106 -4.680 -1.689) 9.511 2.404 ( 12.011 6.935 10.453) 17.368 2.626 ( 1.659 0.958 -4.769) 5.139 2.745 ( -12.401 -7.160 -6.459) 15.709 3.095 ( 4.367 2.522 10.435) 11.589 3.301 ( -3.497 -2.019 -5.859) 7.116 3.531 ( 7.943 4.586 -5.548) 10.720 3.650 ( 20.641 11.917 4.201) 24.201 4.352 ( -5.960 -3.441 -0.798) 6.928 4.480 ( 6.803 3.928 -7.093) 10.584 4.584 ( -0.718 -0.415 -0.677) 1.070 4.663 ( -14.790 -8.539 5.632) 17.983 4.889 ( -7.477 -4.317 -11.138) 14.093 5.140 ( 0.668 0.386 2.198) 2.329 5.471 ( 1.674 0.966 -5.599) 5.923 5.602 ( 5.628 3.249 2.432) 6.939 5.638 ( 1.892 1.093 2.695) 3.470 5.975 ( -0.865 -0.500 -1.829) 2.084 6.050 ( -25.082 -14.481 0.823) 28.973 6.410 ( -0.299 -0.172 11.936) 11.941 6.438 ( -2.442 -1.410 5.376) 6.071 6.468 ( -3.896 -2.249 -17.340) 17.914 6.661 ( 5.987 3.457 -9.892) 12.069 7.222 ( 2.618 1.511 -1.508) 3.378 7.366 ( 2.828 1.633 -3.389) 4.706 7.634 ( -10.821 -6.247 3.512) 12.979 7.775 ( 0.161 0.093 6.748) 6.751 8.098 ( 1.513 0.874 5.957) 6.208 8.099 ( 5.163 2.981 -0.690) 6.001 8.199 ( 5.835 3.369 0.624) 6.766 8.294 ( 1.187 0.685 -2.497) 2.848 8.436 ( -1.268 -0.732 -5.040) 5.249 8.472 ( -2.767 -1.597 4.715) 5.695 8.849 ( -5.022 -2.899 1.576) 6.009 9.000 ( -7.573 -4.372 0.807) 8.782 9.022 ( -1.485 -0.857 -4.071) 4.418 9.161 ( 8.200 4.734 -13.926) 16.840 9.176 ( 7.567 4.369 3.641) 9.466 9.551 ( 17.255 9.962 0.188) 19.925 17.010 ( -3.004 -1.734 0.186) 3.473 17.050 ( -1.511 -0.872 0.500) 1.815 17.222 ( 0.152 0.088 0.386) 0.424 17.278 ( -0.377 -0.218 -2.124) 2.168 17.591 ( 3.009 1.737 1.695) 3.866 17.617 ( -1.630 -0.941 0.587) 1.972 17.638 ( -0.816 -0.471 -1.326) 1.626 17.810 ( 3.205 1.850 1.385) 3.951 20.182 ( -0.024 -0.014 0.492) 0.492 21.057 ( -1.826 -1.054 -8.746) 8.996 21.534 ( -2.890 -1.669 3.600) 4.909 21.891 ( -0.108 -0.062 -0.041) 0.131 26.253 ( -0.340 -0.196 -0.510) 0.643 26.274 ( 1.888 1.090 1.620) 2.716 26.439 ( -1.475 -0.851 -0.614) 1.810 26.566 ( -0.392 -0.226 -0.513) 0.684 35.363 ( 1.422 0.821 -0.166) 1.650 35.491 ( 3.022 1.745 -3.204) 4.737 35.616 ( 3.023 1.745 -6.661) 7.520 35.902 ( 11.608 6.702 -7.831) 15.524 36.260 ( -5.855 -3.381 6.892) 9.654 36.837 ( 5.301 3.060 24.478) 25.232 37.036 ( -13.870 -8.008 -1.838) 16.120 38.276 ( 14.529 8.388 0.084) 16.777 ======================= Grid point 154 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -13.502 -7.795 7.447) 17.278 2.187 ( -0.147 -0.085 1.673) 1.682 2.196 ( 0.530 0.306 22.552) 22.560 2.211 ( -4.016 -2.319 14.156) 14.896 2.346 ( -20.171 -11.646 -2.856) 23.466 2.683 ( 6.085 3.513 0.800) 7.072 2.732 ( 7.618 4.398 7.402) 11.496 3.183 ( 5.120 2.956 -5.815) 8.293 3.189 ( -0.796 -0.460 -9.228) 9.274 3.638 ( 12.135 7.006 -6.388) 15.399 4.113 ( 18.229 10.524 5.129) 21.665 4.190 ( -12.602 -7.276 2.162) 14.711 4.425 ( -11.496 -6.637 2.851) 13.577 4.580 ( 8.116 4.686 -3.113) 9.875 4.629 ( -6.589 -3.804 -13.318) 15.338 4.649 ( 4.039 2.332 5.536) 7.239 5.195 ( 1.048 0.605 6.178) 6.295 5.432 ( 0.364 0.210 -6.353) 6.367 5.535 ( -23.973 -13.841 1.048) 27.702 5.645 ( 0.660 0.381 -5.721) 5.772 5.769 ( 2.875 1.660 4.040) 5.229 6.007 ( 2.239 1.293 3.349) 4.231 6.222 ( -3.712 -2.143 -15.196) 15.789 6.340 ( -3.361 -1.940 -10.218) 10.930 6.530 ( -2.355 -1.360 16.959) 17.176 6.759 ( 5.425 3.132 4.396) 7.652 7.248 ( 2.204 1.272 -2.832) 3.807 7.340 ( -1.144 -0.660 -3.437) 3.682 7.504 ( -7.625 -4.402 4.177) 9.745 7.845 ( 2.146 1.239 2.479) 3.505 8.171 ( 4.038 2.331 -2.903) 5.492 8.215 ( 3.978 2.297 4.948) 6.752 8.305 ( 2.221 1.282 -2.407) 3.517 8.331 ( 5.676 3.277 0.629) 6.585 8.365 ( 0.292 0.169 -2.223) 2.249 8.479 ( -2.008 -1.159 4.834) 5.361 8.772 ( -3.216 -1.857 -0.381) 3.733 8.827 ( -10.883 -6.283 -0.422) 12.573 8.940 ( -2.952 -1.704 -2.043) 3.974 9.149 ( 5.073 2.929 -12.982) 14.243 9.300 ( 2.262 1.306 4.873) 5.529 9.932 ( 22.412 12.940 -1.731) 25.937 16.954 ( -2.482 -1.433 -0.353) 2.888 17.035 ( -0.420 -0.242 0.387) 0.620 17.242 ( -0.906 -0.523 -3.023) 3.199 17.255 ( 2.041 1.178 1.977) 3.076 17.551 ( -4.780 -2.760 -1.040) 5.617 17.601 ( -0.688 -0.397 -1.493) 1.691 17.680 ( 3.859 2.228 1.107) 4.591 17.890 ( 2.767 1.598 2.518) 4.068 20.210 ( 0.083 0.048 5.089) 5.090 20.928 ( -0.894 -0.516 -11.925) 11.970 21.541 ( -2.132 -1.231 6.989) 7.410 21.879 ( -0.161 -0.093 -1.767) 1.777 26.237 ( -1.068 -0.616 -0.011) 1.233 26.327 ( 2.547 1.470 0.190) 2.947 26.411 ( -1.440 -0.832 0.919) 1.900 26.554 ( -0.050 -0.029 -1.061) 1.063 35.420 ( 3.206 1.851 2.647) 4.551 35.534 ( 3.827 2.210 -0.563) 4.455 35.607 ( 3.561 2.056 -7.025) 8.140 35.976 ( 1.754 1.013 -2.449) 3.178 36.219 ( -0.509 -0.294 -2.040) 2.123 36.764 ( -11.465 -6.619 -5.404) 14.299 37.179 ( 2.850 1.646 27.509) 27.706 38.480 ( 11.951 6.900 -9.296) 16.639 ======================= Grid point 155 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -12.036 -6.949 14.256) 19.909 1.893 ( -24.294 -14.026 -1.558) 28.096 2.073 ( -12.712 -7.339 7.632) 16.544 2.373 ( -6.237 -3.601 18.266) 19.635 2.449 ( 13.612 7.859 4.906) 16.466 2.783 ( 0.276 0.159 4.763) 4.773 2.822 ( -0.965 -0.557 1.951) 2.247 3.071 ( -1.027 -0.593 -13.052) 13.106 3.291 ( 11.986 6.920 -6.672) 15.365 3.810 ( 12.907 7.452 -7.243) 16.571 3.946 ( -18.073 -10.434 9.378) 22.879 4.139 ( -8.194 -4.731 1.220) 9.540 4.390 ( -4.638 -2.678 -11.465) 12.654 4.541 ( 14.118 8.151 -2.808) 16.542 4.659 ( -0.366 -0.211 -1.126) 1.203 4.853 ( 10.159 5.866 7.769) 14.070 5.181 ( -7.460 -4.307 -1.038) 8.676 5.328 ( 1.760 1.016 11.453) 11.632 5.359 ( -0.777 -0.449 -6.884) 6.942 5.561 ( -0.664 -0.384 -8.903) 8.936 5.873 ( 1.225 0.707 6.088) 6.250 6.048 ( -3.810 -2.200 -1.767) 4.741 6.088 ( 2.269 1.310 -1.070) 2.831 6.159 ( -2.459 -1.420 -13.261) 13.562 6.673 ( -1.778 -1.027 19.341) 19.450 6.911 ( 3.493 2.017 8.649) 9.543 7.240 ( 0.887 0.512 -4.497) 4.612 7.274 ( -2.182 -1.260 -2.927) 3.862 7.425 ( -5.651 -3.263 3.941) 7.623 7.883 ( 0.157 0.090 -1.215) 1.229 8.186 ( 1.801 1.040 -4.360) 4.831 8.252 ( 0.285 0.165 -1.841) 1.870 8.313 ( 0.849 0.490 -1.530) 1.817 8.398 ( 6.377 3.682 -0.005) 7.363 8.483 ( -2.187 -1.262 2.704) 3.700 8.501 ( 5.439 3.140 4.908) 7.970 8.606 ( -11.226 -6.481 -1.105) 13.009 8.733 ( 0.993 0.573 -3.801) 3.970 8.893 ( -1.032 -0.596 0.837) 1.457 9.111 ( 3.189 1.841 -8.254) 9.038 9.369 ( -0.761 -0.439 5.877) 5.942 10.277 ( 19.049 10.998 -8.582) 23.611 16.932 ( 1.063 0.614 -0.578) 1.357 17.045 ( 1.250 0.721 0.281) 1.470 17.182 ( -1.550 -0.895 -4.245) 4.607 17.323 ( 0.997 0.576 3.762) 3.934 17.444 ( -3.661 -2.114 -2.335) 4.830 17.571 ( -1.298 -0.749 -0.859) 1.727 17.751 ( 2.941 1.698 -0.183) 3.401 17.945 ( -0.087 -0.050 2.751) 2.753 20.297 ( 1.271 0.734 10.566) 10.668 20.783 ( -0.675 -0.390 -13.989) 14.011 21.592 ( -1.073 -0.619 8.640) 8.728 21.849 ( -0.212 -0.122 -3.596) 3.604 26.215 ( -1.604 -0.926 0.622) 1.953 26.347 ( 0.491 0.284 -2.003) 2.082 26.427 ( 1.018 0.588 3.010) 3.231 26.540 ( 0.045 0.026 -1.833) 1.834 35.513 ( 3.199 1.847 1.357) 3.935 35.616 ( 3.835 2.214 2.119) 4.909 35.621 ( 4.470 2.580 -2.657) 5.805 35.938 ( -4.499 -2.598 1.944) 5.547 36.202 ( 4.206 2.428 -9.878) 11.008 36.523 ( -8.116 -4.686 -4.191) 10.266 37.469 ( -2.116 -1.222 27.266) 27.375 38.495 ( 5.921 3.418 -22.942) 23.939 ======================= Grid point 160 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 -1.815 12.354) 12.487 1.781 ( 0.000 4.739 23.421) 23.896 2.040 ( 0.000 1.752 18.143) 18.227 2.090 ( 0.000 0.798 11.440) 11.468 2.444 ( -0.000 6.139 -6.459) 8.911 2.656 ( 0.000 -14.260 2.376) 14.457 3.028 ( -0.000 -4.769 -7.923) 9.248 3.115 ( 0.000 12.770 23.874) 27.075 3.123 ( 0.000 11.869 2.412) 12.112 3.390 ( -0.000 -3.538 -11.122) 11.672 3.447 ( -0.000 4.157 -7.887) 8.915 4.302 ( -0.000 -1.694 -10.551) 10.687 4.430 ( 0.000 -11.255 -0.273) 11.259 4.642 ( -0.000 3.048 -1.419) 3.362 4.987 ( 0.000 1.116 0.494) 1.220 5.011 ( -0.000 -2.335 -3.366) 4.096 5.113 ( -0.000 -6.983 -1.504) 7.143 5.385 ( -0.000 -0.776 -2.127) 2.264 5.501 ( -0.000 9.221 -3.536) 9.875 5.605 ( 0.000 -5.737 8.783) 10.491 5.996 ( -0.000 -5.620 -8.993) 10.605 6.308 ( 0.000 -2.457 4.076) 4.760 6.467 ( 0.000 -13.278 -1.825) 13.403 6.484 ( 0.000 2.611 9.412) 9.767 6.580 ( -0.000 9.061 -14.890) 17.430 6.613 ( -0.000 -0.579 -5.342) 5.373 7.217 ( -0.000 4.447 -3.540) 5.684 7.225 ( -0.000 5.786 -2.682) 6.378 7.793 ( 0.000 -4.342 5.570) 7.062 7.837 ( 0.000 -2.081 -0.085) 2.082 8.032 ( 0.000 -0.404 2.503) 2.536 8.095 ( 0.000 -0.729 4.351) 4.412 8.131 ( -0.000 3.214 0.220) 3.222 8.324 ( 0.000 -8.183 -1.260) 8.279 8.429 ( -0.000 0.807 -5.016) 5.081 8.578 ( 0.000 -4.947 4.509) 6.693 8.713 ( -0.000 5.790 -0.899) 5.859 8.927 ( 0.000 0.772 1.894) 2.046 9.036 ( -0.000 16.063 -0.237) 16.065 9.118 ( -0.000 -4.863 -2.581) 5.506 9.149 ( -0.000 -3.928 -1.994) 4.405 9.331 ( -0.000 8.200 -3.050) 8.749 17.047 ( 0.000 -2.191 1.228) 2.512 17.107 ( 0.000 2.778 0.674) 2.858 17.213 ( -0.000 -4.056 -1.447) 4.306 17.266 ( -0.000 -3.857 -2.576) 4.638 17.514 ( 0.000 -2.267 2.400) 3.301 17.646 ( 0.000 2.698 2.338) 3.570 17.688 ( -0.000 0.305 -0.670) 0.737 17.753 ( -0.000 5.193 -0.339) 5.204 20.183 ( 0.000 -0.010 0.567) 0.567 21.084 ( -0.000 -1.013 -11.428) 11.472 21.587 ( 0.000 -2.858 3.434) 4.467 21.893 ( 0.000 -0.060 -0.003) 0.060 26.246 ( 0.000 0.704 1.570) 1.721 26.256 ( -0.000 0.357 -0.527) 0.637 26.463 ( -0.000 -1.063 -0.696) 1.271 26.573 ( -0.000 -0.493 -0.811) 0.949 35.351 ( -0.000 -1.165 -1.940) 2.263 35.441 ( -0.000 4.612 -2.825) 5.409 35.579 ( -0.000 2.761 -4.428) 5.218 35.660 ( -0.000 12.611 -8.212) 15.049 36.424 ( 0.000 -9.120 15.416) 17.911 36.705 ( 0.000 6.862 21.058) 22.148 37.299 ( 0.000 -23.473 0.203) 23.474 38.007 ( -0.000 20.812 0.249) 20.813 ======================= Grid point 161 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -10.013 -5.168 13.458) 17.553 2.073 ( 6.373 -2.872 17.877) 19.195 2.207 ( -2.882 -3.192 12.296) 13.027 2.297 ( 5.348 5.081 16.426) 18.007 2.475 ( 0.483 4.304 5.018) 6.629 2.570 ( 2.429 -3.450 -0.042) 4.219 2.821 ( -11.930 -4.978 -5.827) 14.179 3.178 ( -2.460 4.155 -0.194) 4.832 3.253 ( -0.164 -1.965 -9.414) 9.619 3.401 ( 4.336 7.562 -11.481) 14.415 3.590 ( 13.411 15.512 14.606) 25.176 4.254 ( 7.322 -1.938 -6.640) 10.073 4.343 ( -0.382 -11.918 2.127) 12.112 4.638 ( -2.479 1.961 1.709) 3.593 4.848 ( -7.820 -4.724 -10.417) 13.856 4.902 ( -11.633 2.800 0.019) 11.965 5.105 ( 5.308 -6.535 2.594) 8.810 5.417 ( 1.163 2.810 -0.273) 3.053 5.589 ( 4.261 5.789 2.889) 7.747 5.611 ( 1.084 -4.299 -0.504) 4.463 5.911 ( 2.376 -6.545 -0.564) 6.985 6.163 ( -5.003 -10.395 -12.746) 17.191 6.327 ( -9.263 -4.630 -7.133) 12.574 6.406 ( -1.232 -2.692 -11.569) 11.942 6.567 ( -3.036 0.435 11.516) 11.918 6.709 ( 0.309 11.971 7.709) 14.242 7.200 ( 0.313 5.127 -4.560) 6.868 7.289 ( 4.791 4.600 -5.610) 8.695 7.760 ( -8.738 -3.455 2.052) 9.618 7.794 ( 0.930 -4.031 2.048) 4.616 8.076 ( 1.805 2.237 1.581) 3.281 8.121 ( 1.529 -3.975 4.098) 5.910 8.172 ( 1.976 2.802 1.151) 3.617 8.292 ( 2.170 0.670 -0.620) 2.354 8.409 ( -1.667 2.854 -1.308) 3.554 8.552 ( -3.836 -2.598 5.283) 7.027 8.810 ( 8.538 1.716 -6.741) 11.013 8.918 ( -0.218 -6.999 2.416) 7.408 9.011 ( -1.325 -5.020 -5.049) 7.242 9.075 ( -5.250 -3.976 -0.508) 6.605 9.231 ( 5.821 16.713 0.803) 17.716 9.427 ( 8.734 9.501 -2.129) 13.080 17.024 ( -2.553 -3.150 1.590) 4.355 17.110 ( -3.252 1.624 0.309) 3.648 17.183 ( 1.584 -3.018 -0.920) 3.530 17.219 ( 2.495 -4.111 -1.999) 5.207 17.537 ( 1.889 -1.563 1.734) 3.003 17.635 ( -1.952 -0.593 -0.925) 2.240 17.729 ( 1.518 4.302 1.607) 4.837 17.791 ( -0.344 4.714 -0.373) 4.741 20.209 ( 0.002 -0.050 4.691) 4.692 20.948 ( -0.423 -0.234 -13.564) 13.572 21.599 ( -1.480 -2.639 5.884) 6.616 21.883 ( -0.094 -0.105 -1.583) 1.589 26.255 ( -0.255 0.427 -0.098) 0.507 26.273 ( 1.101 0.858 0.792) 1.604 26.446 ( -0.812 -1.042 0.376) 1.374 26.557 ( -0.098 -0.467 -1.312) 1.396 35.345 ( 1.686 -0.248 0.329) 1.736 35.467 ( 1.031 4.788 -0.977) 4.995 35.556 ( -0.243 4.077 -5.320) 6.707 35.742 ( 8.418 11.990 -9.641) 17.538 36.432 ( -8.259 -8.876 13.065) 17.824 37.018 ( 1.031 -4.660 15.252) 15.982 37.057 ( -1.865 -10.765 5.693) 12.320 38.189 ( 7.070 15.947 -6.339) 18.560 ======================= Grid point 162 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -14.967 -5.275 13.715) 20.974 2.107 ( 3.055 -9.595 -0.707) 10.094 2.335 ( -2.508 -4.699 16.141) 16.997 2.459 ( -0.705 -4.594 11.067) 12.003 2.529 ( -16.213 -4.688 -2.433) 17.052 2.650 ( 7.403 8.780 12.408) 16.907 2.769 ( 7.515 6.466 10.169) 14.202 3.055 ( -4.285 -3.407 -11.066) 12.346 3.150 ( -0.341 2.748 -10.612) 10.967 3.457 ( 9.186 9.114 -11.241) 17.141 4.020 ( 14.452 10.503 7.930) 19.546 4.265 ( -3.648 -9.280 4.514) 10.946 4.305 ( 8.195 -5.905 -1.752) 10.251 4.565 ( -8.153 -5.025 -12.418) 15.682 4.680 ( -0.045 5.666 4.542) 7.262 4.786 ( -10.526 8.332 0.872) 13.453 5.173 ( 6.669 -6.680 4.776) 10.579 5.401 ( -3.391 0.752 -5.922) 6.865 5.564 ( -1.740 -2.489 -0.595) 3.095 5.725 ( 0.023 -2.423 6.323) 6.771 5.839 ( -14.807 -5.094 -0.058) 15.659 5.941 ( 6.114 -3.409 -1.822) 7.233 6.076 ( -1.251 -6.504 -12.401) 14.059 6.224 ( -2.037 0.186 -16.404) 16.531 6.703 ( -0.415 -0.450 16.911) 16.923 6.883 ( -0.326 9.988 9.284) 13.640 7.201 ( 1.532 4.639 -6.281) 7.957 7.298 ( 1.299 2.326 -6.162) 6.713 7.629 ( -9.514 -3.733 3.952) 10.958 7.810 ( 3.708 -3.745 0.508) 5.295 8.128 ( 2.011 2.062 -0.637) 2.950 8.173 ( 4.871 -1.376 1.415) 5.256 8.245 ( 4.018 0.767 1.139) 4.246 8.306 ( 0.556 -0.268 -3.880) 3.928 8.436 ( -2.052 8.914 4.734) 10.300 8.546 ( -2.008 -2.123 5.068) 5.850 8.778 ( -3.112 -1.891 -3.678) 5.176 8.899 ( 1.604 -3.148 -5.638) 6.654 8.927 ( -2.639 -5.495 -0.724) 6.139 8.945 ( -0.217 -3.970 -2.954) 4.953 9.397 ( -0.536 11.855 3.219) 12.296 9.700 ( 19.923 10.204 -3.013) 22.585 16.966 ( -3.258 -3.853 1.153) 5.176 17.062 ( -1.793 -2.802 -0.589) 3.378 17.168 ( -0.206 -1.684 -1.000) 1.969 17.239 ( 4.397 -0.440 -0.533) 4.451 17.559 ( -0.426 -0.719 0.425) 0.938 17.606 ( 0.403 0.281 -1.089) 1.195 17.757 ( -5.891 8.240 0.144) 10.131 17.853 ( 5.962 -0.759 1.587) 6.216 20.278 ( 0.303 0.037 8.803) 8.808 20.800 ( -0.483 0.285 -14.605) 14.616 21.628 ( -1.354 -1.666 7.411) 7.715 21.856 ( -0.242 -0.174 -3.233) 3.247 26.251 ( -0.908 0.216 0.409) 1.019 26.302 ( 1.857 0.598 -0.575) 2.034 26.437 ( -0.984 -0.585 1.919) 2.235 26.538 ( 0.081 -0.281 -1.858) 1.881 35.404 ( 4.299 0.263 2.892) 5.188 35.521 ( 0.684 4.816 -3.018) 5.725 35.546 ( 1.907 4.941 -0.807) 5.357 35.847 ( 8.464 9.203 -10.621) 16.406 36.338 ( -10.956 -8.046 9.291) 16.465 36.750 ( -7.092 -15.989 -5.698) 18.396 37.410 ( 5.864 2.739 26.997) 27.762 38.291 ( 7.025 10.533 -15.067) 19.680 ======================= Grid point 163 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -14.551 -1.914 13.597) 20.007 1.993 ( -7.921 -13.494 -3.425) 16.018 2.272 ( -11.952 -2.824 1.669) 12.394 2.387 ( 2.911 -5.595 7.819) 10.046 2.565 ( -2.851 -6.303 11.154) 13.125 2.759 ( -2.041 -6.469 -7.354) 10.005 2.931 ( 4.215 6.073 3.675) 8.255 2.962 ( -4.296 5.809 2.490) 7.642 3.185 ( 8.301 8.779 -0.592) 12.096 3.556 ( 14.599 6.797 -13.141) 20.785 4.147 ( -7.759 -11.737 8.667) 16.525 4.211 ( -3.861 1.732 -2.697) 5.018 4.305 ( -5.155 -4.699 -11.252) 13.239 4.391 ( 10.593 0.782 1.664) 10.751 4.754 ( -6.863 12.070 -1.849) 14.007 4.872 ( 7.256 7.752 8.650) 13.696 5.203 ( -6.482 -9.029 -5.458) 12.383 5.257 ( 4.728 -3.690 1.083) 6.094 5.465 ( -13.130 -1.191 -2.119) 13.353 5.583 ( -2.700 4.849 6.397) 8.469 5.879 ( 3.804 -3.280 0.588) 5.057 5.974 ( 4.177 1.658 -3.671) 5.803 5.994 ( 4.651 -13.193 -0.025) 13.989 6.057 ( 0.854 0.752 -9.415) 9.484 6.867 ( -0.621 0.201 17.112) 17.124 7.038 ( -0.301 7.069 7.091) 10.018 7.185 ( 0.898 4.202 -6.332) 7.653 7.259 ( -0.555 1.450 -4.273) 4.547 7.522 ( -7.500 -4.102 4.355) 9.594 7.823 ( 3.395 -5.577 -2.221) 6.896 8.150 ( 0.255 3.289 -2.581) 4.189 8.235 ( -1.467 -0.018 -3.651) 3.935 8.247 ( 5.107 -0.449 0.335) 5.138 8.330 ( 5.519 0.431 -0.627) 5.572 8.524 ( -1.593 0.090 4.564) 4.835 8.574 ( -0.215 4.677 3.988) 6.151 8.699 ( -1.529 2.007 -3.891) 4.637 8.718 ( -12.119 -3.936 -1.566) 12.838 8.886 ( 1.034 -4.910 1.376) 5.203 8.964 ( 7.609 -0.158 -5.784) 9.559 9.495 ( -3.807 8.960 5.406) 11.135 9.996 ( 19.001 7.126 -8.382) 21.956 16.915 ( -0.782 -2.408 0.371) 2.559 17.015 ( 1.195 -5.779 -1.197) 6.021 17.139 ( -1.608 1.077 -0.910) 2.139 17.310 ( 6.005 -0.308 -0.027) 6.013 17.508 ( -6.593 1.788 -0.395) 6.842 17.614 ( -1.423 3.013 -0.685) 3.401 17.748 ( -1.524 3.706 -0.254) 4.015 17.935 ( 3.982 -2.344 2.275) 5.150 20.400 ( 1.587 0.455 12.761) 12.867 20.647 ( -0.696 0.393 -14.726) 14.747 21.682 ( -0.684 -0.771 7.761) 7.829 21.808 ( -0.395 -0.228 -5.084) 5.105 26.242 ( -1.586 -0.001 0.976) 1.863 26.315 ( 1.372 -0.100 -1.665) 2.160 26.453 ( -0.015 0.149 2.936) 2.939 26.517 ( 0.173 -0.165 -2.418) 2.430 35.484 ( 0.987 2.958 -3.048) 4.360 35.541 ( 6.183 -0.430 2.108) 6.547 35.671 ( 2.887 7.387 6.467) 10.233 35.897 ( 4.843 5.969 -10.153) 12.734 36.210 ( -9.277 -5.723 4.607) 11.834 36.495 ( -4.244 -12.082 -5.072) 13.774 37.746 ( 0.331 1.127 25.432) 25.459 38.228 ( 3.194 4.882 -24.043) 24.741 ======================= Grid point 169 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 -9.062 11.666) 14.772 2.105 ( 0.000 -9.328 13.584) 16.478 2.328 ( 0.000 -5.849 4.047) 7.113 2.485 ( 0.000 -3.311 5.994) 6.848 2.541 ( 0.000 11.737 20.472) 23.598 2.587 ( 0.000 3.096 10.259) 10.717 2.810 ( -0.000 -6.784 -5.000) 8.428 3.104 ( -0.000 -0.105 -11.811) 11.812 3.227 ( -0.000 7.276 -8.059) 10.858 3.278 ( -0.000 4.127 -14.110) 14.701 3.814 ( 0.000 18.664 15.182) 24.059 4.133 ( -0.000 -0.799 -3.992) 4.072 4.292 ( 0.000 -10.051 5.497) 11.456 4.680 ( 0.000 -1.430 2.717) 3.071 4.775 ( -0.000 -5.943 -11.353) 12.815 4.926 ( -0.000 2.441 -8.177) 8.533 5.067 ( 0.000 -4.285 6.450) 7.743 5.471 ( 0.000 -3.047 7.229) 7.845 5.584 ( 0.000 -1.190 3.454) 3.653 5.631 ( -0.000 6.852 0.887) 6.909 5.815 ( 0.000 -12.339 1.283) 12.406 5.942 ( -0.000 -4.910 -17.893) 18.555 6.238 ( -0.000 1.301 -16.773) 16.823 6.366 ( -0.000 -6.341 -2.378) 6.772 6.721 ( 0.000 2.323 12.229) 12.448 6.875 ( 0.000 9.024 8.521) 12.411 7.189 ( -0.000 6.050 -7.370) 9.535 7.219 ( -0.000 5.048 -7.296) 8.872 7.750 ( 0.000 -5.934 -0.240) 5.939 7.836 ( 0.000 0.151 1.156) 1.165 8.095 ( 0.000 -4.248 1.257) 4.430 8.110 ( 0.000 1.476 3.646) 3.934 8.203 ( -0.000 3.874 0.135) 3.877 8.237 ( 0.000 -2.492 0.893) 2.647 8.482 ( 0.000 4.278 4.204) 5.998 8.628 ( 0.000 -2.531 5.774) 6.304 8.680 ( -0.000 3.008 -8.114) 8.654 8.902 ( 0.000 -9.077 3.430) 9.703 8.911 ( -0.000 -4.644 -6.610) 8.078 9.074 ( 0.000 -4.424 -0.884) 4.511 9.311 ( -0.000 14.073 1.052) 14.112 9.448 ( -0.000 13.091 -0.817) 13.117 17.050 ( 0.000 -2.745 1.982) 3.386 17.118 ( 0.000 -7.090 -1.042) 7.166 17.121 ( -0.000 -2.948 -1.296) 3.220 17.188 ( -0.000 4.507 0.816) 4.580 17.540 ( 0.000 0.273 1.441) 1.467 17.648 ( 0.000 -4.558 0.320) 4.569 17.686 ( -0.000 1.594 -1.027) 1.897 17.873 ( -0.000 8.535 -0.498) 8.549 20.274 ( 0.000 -0.091 8.429) 8.429 20.807 ( -0.000 0.518 -14.908) 14.917 21.650 ( 0.000 -2.347 6.596) 7.001 21.860 ( -0.000 -0.227 -3.019) 3.028 26.264 ( 0.000 0.839 0.362) 0.914 26.273 ( -0.000 0.420 -0.147) 0.445 26.454 ( 0.000 -0.789 1.518) 1.711 26.537 ( -0.000 -0.556 -1.900) 1.980 35.336 ( 0.000 -0.040 1.390) 1.391 35.507 ( 0.000 5.980 1.619) 6.196 35.565 ( -0.000 5.861 -4.066) 7.133 35.672 ( -0.000 11.946 -10.505) 15.908 36.548 ( 0.000 -11.259 12.840) 17.077 36.860 ( -0.000 -22.470 -5.965) 23.249 37.272 ( 0.000 4.935 25.326) 25.803 38.183 ( -0.000 15.553 -12.394) 19.888 ======================= Grid point 170 (57/65) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -1.164 -10.335 7.302) 12.708 2.020 ( -10.728 -8.677 0.525) 13.808 2.382 ( 9.339 -6.428 3.842) 11.971 2.519 ( -6.422 -3.111 12.275) 14.198 2.633 ( -8.602 -8.874 -1.281) 12.425 2.751 ( 8.867 0.196 9.216) 12.791 2.897 ( -0.186 10.564 13.793) 17.375 2.999 ( -1.535 1.406 -7.223) 7.517 3.063 ( -2.291 5.008 -10.724) 12.055 3.289 ( 7.459 8.633 -15.238) 19.036 4.077 ( 2.206 5.217 10.893) 12.278 4.170 ( 6.525 3.318 -0.406) 7.332 4.294 ( -1.837 -2.401 5.947) 6.672 4.518 ( -8.877 -7.025 -11.433) 16.090 4.724 ( 4.428 -1.071 3.311) 5.632 4.899 ( 0.342 6.664 -7.320) 9.905 5.105 ( 1.711 -5.944 8.558) 10.560 5.391 ( -7.568 -3.533 -6.192) 10.397 5.657 ( -1.916 -0.084 10.479) 10.653 5.687 ( 5.390 -9.984 3.240) 11.799 5.774 ( 6.877 -5.111 -4.847) 9.844 5.847 ( 4.126 1.807 -0.597) 4.543 6.070 ( -5.521 2.010 -13.728) 14.932 6.150 ( -15.284 -2.629 -7.800) 17.360 6.870 ( 0.267 2.545 13.438) 13.679 7.019 ( 1.539 5.651 4.940) 7.662 7.156 ( 0.361 4.967 -6.718) 8.363 7.213 ( 3.888 4.415 -8.523) 10.356 7.709 ( 2.751 -7.035 -1.377) 7.678 7.779 ( -8.784 -0.688 2.518) 9.163 8.109 ( 3.183 -1.047 1.044) 3.510 8.154 ( -0.274 2.377 1.972) 3.101 8.220 ( 1.083 0.201 1.235) 1.655 8.274 ( 1.290 1.688 -0.754) 2.254 8.559 ( 0.727 2.208 5.116) 5.619 8.607 ( -2.384 0.218 0.857) 2.543 8.702 ( 6.406 0.982 -4.755) 8.038 8.789 ( -3.935 -1.714 -2.700) 5.071 8.876 ( 1.325 -8.903 1.479) 9.122 8.987 ( -5.602 -4.021 -1.591) 7.077 9.495 ( 11.802 9.354 -1.087) 15.098 9.577 ( -0.253 15.178 2.801) 15.437 17.006 ( -1.411 -5.702 -0.307) 5.882 17.023 ( -4.726 -3.978 0.857) 6.236 17.152 ( 4.879 -1.961 -0.234) 5.264 17.220 ( -2.460 4.823 0.639) 5.452 17.554 ( 1.065 -1.016 0.951) 1.752 17.602 ( -0.763 -0.357 -0.840) 1.190 17.752 ( 7.226 -1.191 0.360) 7.332 17.895 ( -4.437 6.993 -1.133) 8.359 20.377 ( 0.311 -0.082 11.659) 11.663 20.661 ( -0.274 1.041 -14.974) 15.012 21.699 ( -0.414 -1.475 6.859) 7.028 21.818 ( -0.221 -0.408 -4.606) 4.629 26.273 ( -0.599 0.897 0.837) 1.365 26.276 ( 0.966 -0.189 -0.926) 1.351 26.466 ( -0.447 -0.307 2.435) 2.494 26.512 ( 0.115 -0.436 -2.386) 2.428 35.382 ( 3.061 0.487 3.246) 4.488 35.537 ( -3.205 6.193 -5.118) 8.650 35.602 ( 1.466 7.374 4.997) 9.028 35.715 ( 6.521 9.444 -9.753) 15.062 36.506 ( -8.667 -11.452 9.790) 17.382 36.606 ( -2.604 -18.355 -7.020) 19.824 37.615 ( 6.111 3.066 26.604) 27.468 38.149 ( 1.604 10.850 -19.150) 22.068 ======================= Grid point 171 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.498 -10.905 -10.187) 15.586 1.819 ( -11.693 -1.557 10.187) 15.586 2.383 ( -8.375 -8.531 -2.808) 12.280 2.383 ( -3.200 -11.518 2.808) 12.280 2.636 ( -8.745 -2.956 -17.434) 19.727 2.636 ( 1.812 -9.052 17.434) 19.727 3.015 ( 1.426 7.545 -7.041) 10.418 3.015 ( 5.821 5.007 7.041) 10.418 3.281 ( 7.986 7.988 -18.422) 21.609 3.281 ( 2.925 10.910 18.422) 21.609 4.206 ( -8.330 -3.822 -12.331) 15.364 4.206 ( 0.855 -9.125 12.331) 15.364 4.292 ( -1.766 4.822 -3.123) 6.011 4.292 ( 5.059 0.881 3.123) 6.011 4.890 ( -2.169 10.053 -5.502) 11.663 4.890 ( 9.791 3.148 5.502) 11.663 5.185 ( -7.529 0.656 -6.924) 10.250 5.185 ( 4.332 -6.193 6.924) 10.250 5.687 ( -14.800 -7.576 -9.500) 19.149 5.687 ( 0.838 -16.605 9.500) 19.149 5.769 ( 5.696 -2.312 -10.660) 12.306 5.769 ( -4.850 3.777 10.660) 12.306 5.983 ( -1.140 4.482 -9.154) 10.256 5.983 ( 4.452 1.254 9.154) 10.256 7.027 ( 1.268 1.807 -11.564) 11.772 7.027 ( 0.931 2.002 11.564) 11.772 7.217 ( 2.256 4.287 -5.721) 7.496 7.217 ( 2.584 4.097 5.721) 7.496 7.670 ( 4.030 -9.311 -4.060) 10.927 7.670 ( -10.078 -1.166 4.060) 10.927 8.178 ( 1.572 3.141 -2.174) 4.130 8.178 ( 1.934 2.932 2.174) 4.130 8.258 ( -3.233 2.041 -1.107) 3.981 8.258 ( 3.384 -1.780 1.107) 3.981 8.589 ( -0.101 -2.118 -2.087) 2.975 8.589 ( -1.784 -1.147 2.087) 2.975 8.776 ( 7.494 1.638 -3.404) 8.392 8.776 ( -2.328 7.309 3.404) 8.392 8.838 ( -5.988 -3.600 -1.044) 7.065 8.838 ( -0.123 -6.986 1.044) 7.065 9.716 ( 15.735 4.015 -6.864) 17.630 9.716 ( -4.390 15.635 6.864) 17.630 16.939 ( -0.092 -5.370 -1.323) 5.532 16.939 ( -4.605 -2.765 1.323) 5.532 17.209 ( 5.700 -1.677 -0.562) 5.968 17.209 ( -4.302 4.098 0.562) 5.968 17.593 ( 2.234 0.801 -0.915) 2.544 17.593 ( -0.423 2.335 0.915) 2.544 17.848 ( -6.539 4.410 -1.373) 8.006 17.848 ( 7.088 -3.458 1.373) 8.006 20.517 ( -0.635 1.116 -14.112) 14.170 20.517 ( 1.284 0.008 14.112) 14.170 21.754 ( -0.483 -0.537 -6.443) 6.483 21.754 ( -0.224 -0.686 6.443) 6.483 26.277 ( 1.369 -0.762 -1.322) 2.050 26.277 ( -1.344 0.805 1.322) 2.050 26.486 ( 0.233 -0.250 -2.750) 2.771 26.486 ( -0.333 0.076 2.750) 2.771 35.489 ( -2.346 4.837 -5.194) 7.475 35.489 ( 5.362 0.386 5.194) 7.475 35.772 ( 5.573 7.159 -9.546) 13.169 35.772 ( 3.413 8.406 9.546) 13.169 36.365 ( -2.712 -13.826 -7.084) 15.770 36.365 ( -10.617 -9.262 7.084) 15.770 37.991 ( -0.820 5.426 -26.660) 27.219 37.991 ( 5.109 2.003 26.660) 27.219 ======================= Grid point 179 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -0.000 -15.102 -7.731) 16.966 2.155 ( 0.000 -15.051 8.350) 17.212 2.248 ( -0.000 1.609 -2.028) 2.589 2.554 ( -0.000 -6.721 -7.898) 10.371 2.672 ( 0.000 -8.820 4.392) 9.853 2.755 ( 0.000 -3.957 17.380) 17.825 2.920 ( -0.000 1.717 -9.032) 9.194 2.999 ( -0.000 4.888 -17.449) 18.121 3.084 ( -0.000 8.043 -3.281) 8.686 3.271 ( 0.000 17.942 13.462) 22.431 4.142 ( 0.000 3.468 2.773) 4.440 4.218 ( 0.000 -2.947 11.894) 12.253 4.360 ( -0.000 -3.235 -4.489) 5.533 4.503 ( -0.000 5.046 -0.027) 5.046 4.586 ( -0.000 -9.737 -4.350) 10.665 4.860 ( -0.000 8.257 -7.892) 11.422 5.169 ( 0.000 -1.705 10.013) 10.157 5.380 ( 0.000 -15.992 2.304) 16.157 5.543 ( -0.000 -1.110 -5.653) 5.761 5.588 ( -0.000 -7.309 -7.646) 10.577 5.832 ( 0.000 -0.297 14.721) 14.724 5.876 ( 0.000 4.877 5.021) 6.999 5.997 ( -0.000 5.420 -9.688) 11.101 6.214 ( -0.000 -1.300 -6.257) 6.391 6.981 ( 0.000 1.416 1.346) 1.954 7.027 ( -0.000 4.165 -6.442) 7.671 7.092 ( -0.000 2.831 -4.557) 5.365 7.195 ( 0.000 3.472 2.843) 4.488 7.614 ( -0.000 -7.349 -2.538) 7.775 7.862 ( 0.000 0.227 0.781) 0.813 8.092 ( 0.000 0.278 2.232) 2.249 8.200 ( 0.000 -1.219 4.552) 4.713 8.257 ( 0.000 2.448 0.675) 2.539 8.278 ( -0.000 4.991 0.940) 5.078 8.550 ( -0.000 4.702 -9.178) 10.312 8.579 ( 0.000 -3.562 1.762) 3.974 8.667 ( 0.000 -2.800 1.868) 3.366 8.785 ( 0.000 -12.649 2.316) 12.859 8.867 ( 0.000 5.857 4.024) 7.106 8.981 ( -0.000 -3.023 -1.693) 3.465 9.435 ( -0.000 5.625 -3.681) 6.722 9.781 ( 0.000 18.908 6.976) 20.154 16.961 ( 0.000 -4.759 -0.629) 4.800 17.060 ( -0.000 -1.313 -1.096) 1.710 17.118 ( 0.000 -1.658 4.331) 4.637 17.284 ( -0.000 5.725 -0.024) 5.725 17.544 ( 0.000 -7.616 -0.359) 7.625 17.568 ( 0.000 -0.074 0.893) 0.896 17.703 ( -0.000 2.791 -0.618) 2.858 17.958 ( -0.000 4.705 -1.947) 5.092 20.501 ( 0.000 -0.240 13.727) 13.729 20.526 ( -0.000 1.589 -14.300) 14.388 21.757 ( 0.000 -0.946 6.134) 6.207 21.761 ( -0.000 -0.748 -6.123) 6.168 26.255 ( -0.000 -0.854 -1.028) 1.337 26.297 ( 0.000 1.191 1.249) 1.726 26.482 ( -0.000 -0.318 -2.731) 2.750 26.493 ( 0.000 -0.073 2.607) 2.608 35.405 ( 0.000 1.477 4.263) 4.512 35.587 ( -0.000 6.339 -3.540) 7.261 35.627 ( -0.000 8.142 -9.413) 12.446 35.719 ( 0.000 8.398 7.933) 11.552 36.393 ( -0.000 -17.404 -6.857) 18.706 36.580 ( 0.000 -10.680 7.314) 12.944 37.827 ( 0.000 1.043 15.774) 15.809 38.037 ( -0.000 9.264 -12.231) 15.343 ======================= Grid point 226 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 -0.000 22.104) 22.104 1.933 ( 0.000 -0.000 22.104) 22.104 2.231 ( 0.000 -0.000 19.197) 19.197 2.231 ( 0.000 -0.000 19.197) 19.197 2.358 ( 0.000 -0.000 0.482) 0.482 2.900 ( -0.000 0.000 -3.403) 3.403 2.900 ( -0.000 0.000 -3.403) 3.403 2.964 ( -0.000 0.000 -9.822) 9.822 3.258 ( 0.000 -0.000 23.589) 23.589 3.316 ( -0.000 0.000 -11.449) 11.449 3.316 ( -0.000 0.000 -11.449) 11.449 4.170 ( -0.000 0.000 -12.425) 12.425 4.571 ( 0.000 -0.000 1.620) 1.620 4.571 ( 0.000 -0.000 1.620) 1.620 4.989 ( -0.000 0.000 -4.657) 4.657 4.989 ( -0.000 0.000 -4.657) 4.657 5.213 ( 0.000 -0.000 1.857) 1.857 5.373 ( 0.000 -0.000 1.978) 1.978 5.373 ( 0.000 -0.000 1.978) 1.978 5.644 ( -0.000 0.000 -8.787) 8.787 6.051 ( 0.000 -0.000 8.417) 8.417 6.305 ( -0.000 0.000 -15.961) 15.961 6.305 ( -0.000 0.000 -15.961) 15.961 6.569 ( 0.000 -0.000 9.463) 9.463 6.569 ( 0.000 -0.000 9.463) 9.463 6.643 ( -0.000 0.000 -2.258) 2.258 7.129 ( -0.000 0.000 -5.196) 5.196 7.129 ( -0.000 0.000 -5.196) 5.196 7.835 ( -0.000 0.000 -1.103) 1.103 7.856 ( 0.000 -0.000 0.212) 0.212 8.076 ( 0.000 -0.000 2.533) 2.533 8.076 ( 0.000 -0.000 2.533) 2.533 8.225 ( 0.000 -0.000 9.902) 9.902 8.364 ( -0.000 0.000 -6.715) 6.715 8.364 ( -0.000 0.000 -6.715) 6.715 8.628 ( -0.000 0.000 -1.490) 1.490 8.755 ( 0.000 -0.000 5.900) 5.900 8.755 ( 0.000 -0.000 5.900) 5.900 9.037 ( 0.000 -0.000 3.921) 3.921 9.168 ( 0.000 -0.000 0.216) 0.216 9.169 ( -0.000 0.000 -5.774) 5.774 9.169 ( -0.000 0.000 -5.774) 5.774 17.090 ( 0.000 -0.000 1.486) 1.486 17.090 ( 0.000 -0.000 1.486) 1.486 17.240 ( -0.000 0.000 -2.757) 2.757 17.240 ( -0.000 0.000 -2.757) 2.757 17.601 ( 0.000 -0.000 2.515) 2.515 17.601 ( 0.000 -0.000 2.515) 2.515 17.699 ( -0.000 0.000 -0.628) 0.628 17.699 ( -0.000 0.000 -0.628) 0.628 20.209 ( 0.000 -0.000 4.671) 4.671 20.955 ( -0.000 0.000 -14.626) 14.626 21.650 ( 0.000 -0.000 4.419) 4.419 21.886 ( -0.000 0.000 -1.454) 1.454 26.249 ( -0.000 0.000 -0.219) 0.219 26.253 ( 0.000 -0.000 0.971) 0.971 26.468 ( -0.000 0.000 -0.001) 0.001 26.565 ( -0.000 0.000 -1.455) 1.455 35.364 ( -0.000 0.000 -0.891) 0.891 35.364 ( -0.000 0.000 -0.891) 0.891 35.508 ( -0.000 0.000 -4.703) 4.703 35.508 ( -0.000 0.000 -4.703) 4.703 36.765 ( 0.000 -0.000 19.380) 19.380 36.765 ( 0.000 -0.000 19.380) 19.380 37.642 ( -0.000 0.000 -4.413) 4.413 37.642 ( 0.000 0.000 -4.413) 4.413 ======================= Grid point 227 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -11.775 -6.798 19.109) 23.453 2.284 ( 5.600 3.233 22.850) 23.748 2.358 ( -7.126 -4.114 3.469) 8.930 2.439 ( 3.213 1.855 19.819) 20.163 2.483 ( 5.814 3.357 17.338) 18.593 2.658 ( -6.585 -3.802 -2.572) 8.027 2.801 ( -6.225 -3.594 -8.914) 11.451 3.067 ( 9.900 5.716 -7.160) 13.489 3.175 ( 0.913 0.527 -15.576) 15.611 3.184 ( -1.741 -1.005 -12.429) 12.590 3.575 ( 10.677 6.164 17.258) 21.209 4.117 ( 7.261 4.192 -10.942) 13.785 4.511 ( -5.096 -2.942 4.257) 7.263 4.636 ( -0.235 -0.136 4.259) 4.268 4.815 ( -8.311 -4.798 -10.819) 14.462 4.916 ( -3.822 -2.207 -3.445) 5.599 5.233 ( 0.712 0.411 5.633) 5.692 5.372 ( -2.751 -1.588 3.218) 4.521 5.546 ( 7.613 4.395 8.020) 11.899 5.557 ( 2.486 1.435 -8.956) 9.405 6.000 ( -5.880 -3.395 -8.371) 10.779 6.168 ( 0.918 0.530 -18.927) 18.956 6.180 ( -0.282 -0.163 -0.115) 0.345 6.448 ( -15.145 -8.744 -5.435) 18.313 6.696 ( 2.082 1.202 11.772) 12.015 6.710 ( 1.855 1.071 13.114) 13.288 7.089 ( 2.376 1.372 -6.444) 7.004 7.150 ( 6.804 3.928 -7.518) 10.874 7.805 ( -3.354 -1.936 -0.242) 3.881 7.837 ( -0.753 -0.435 -0.381) 0.949 8.088 ( -1.203 -0.695 2.596) 2.944 8.145 ( 3.602 2.079 3.142) 5.213 8.250 ( -2.434 -1.405 2.534) 3.784 8.255 ( -1.940 -1.120 -3.300) 3.988 8.371 ( 0.923 0.533 1.607) 1.928 8.628 ( -0.828 -0.478 0.251) 0.988 8.729 ( 1.733 1.001 -0.038) 2.002 8.998 ( -5.260 -3.037 -6.467) 8.872 9.036 ( 12.532 7.235 5.105) 15.345 9.053 ( -2.386 -1.378 2.381) 3.642 9.122 ( -3.384 -1.954 -0.974) 4.027 9.262 ( 10.130 5.849 -4.193) 12.426 17.087 ( -2.077 -1.199 2.107) 3.192 17.100 ( -1.373 -0.793 1.484) 2.172 17.199 ( 0.158 0.091 -1.806) 1.815 17.217 ( 0.008 0.005 -3.494) 3.494 17.601 ( 0.230 0.133 2.209) 2.225 17.642 ( -2.512 -1.450 -1.334) 3.193 17.660 ( 0.360 0.208 1.834) 1.880 17.752 ( 4.070 2.350 -0.264) 4.708 20.275 ( 0.021 0.012 8.421) 8.421 20.803 ( -0.095 -0.055 -15.287) 15.287 21.684 ( -1.383 -0.798 5.397) 5.628 21.863 ( -0.175 -0.101 -2.777) 2.784 26.251 ( 0.142 0.082 0.167) 0.234 26.267 ( 0.799 0.461 0.195) 0.943 26.466 ( -0.734 -0.424 1.098) 1.387 26.546 ( -0.233 -0.134 -1.896) 1.915 35.354 ( 0.929 0.536 1.420) 1.780 35.404 ( 2.734 1.579 0.005) 3.157 35.465 ( 0.850 0.491 -4.785) 4.885 35.542 ( 7.603 4.390 -5.306) 10.258 36.723 ( -13.619 -7.863 15.676) 22.205 37.171 ( 10.780 6.224 22.561) 25.767 37.251 ( -16.920 -9.769 -7.354) 20.876 37.881 ( 15.267 8.815 -10.821) 20.686 ======================= Grid point 228 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -16.077 -9.282 13.160) 22.755 2.228 ( -3.905 -2.255 1.342) 4.705 2.444 ( -6.707 -3.872 -4.352) 8.883 2.592 ( -5.085 -2.936 5.212) 7.851 2.665 ( -2.161 -1.248 12.471) 12.718 2.720 ( 5.805 3.352 18.136) 19.335 2.789 ( 7.665 4.425 15.853) 18.156 2.995 ( -1.439 -0.831 -12.327) 12.438 2.999 ( -3.872 -2.236 -14.532) 15.204 3.180 ( 12.434 7.179 -15.634) 21.226 3.946 ( 12.911 7.454 9.444) 17.648 4.198 ( 11.600 6.698 -9.703) 16.540 4.469 ( -5.670 -3.274 5.916) 8.824 4.541 ( -8.122 -4.689 -9.684) 13.481 4.669 ( -1.992 -1.150 5.725) 6.169 4.787 ( -6.456 -3.727 0.309) 7.461 5.308 ( -3.474 -2.005 -4.888) 6.323 5.338 ( 2.359 1.362 8.512) 8.937 5.542 ( -0.378 -0.218 -1.064) 1.150 5.767 ( 6.054 3.495 9.749) 11.996 5.855 ( 3.664 2.115 -10.992) 11.777 5.943 ( -13.102 -7.564 -9.876) 18.067 6.070 ( -9.734 -5.620 -13.962) 17.924 6.187 ( -2.714 -1.567 6.451) 7.172 6.865 ( 3.642 2.103 10.724) 11.519 6.877 ( 1.169 0.675 13.617) 13.684 7.074 ( 3.531 2.038 -7.884) 8.876 7.185 ( 5.068 2.926 -7.860) 9.799 7.713 ( -6.607 -3.814 1.769) 7.831 7.840 ( 1.151 0.665 0.258) 1.354 8.098 ( 0.254 0.146 0.383) 0.482 8.225 ( 2.093 1.209 0.280) 2.434 8.232 ( 1.455 0.840 -1.623) 2.336 8.245 ( 1.471 0.850 -2.321) 2.877 8.414 ( 0.138 0.080 7.897) 7.899 8.616 ( -1.513 -0.873 1.429) 2.257 8.743 ( -0.214 -0.123 -3.257) 3.266 8.859 ( -0.179 -0.103 -7.051) 7.054 8.985 ( -8.192 -4.730 -1.751) 9.620 9.021 ( -3.542 -2.045 2.328) 4.706 9.283 ( 8.009 4.624 3.047) 9.737 9.498 ( 18.150 10.479 -3.087) 21.184 17.040 ( -4.840 -2.795 1.540) 5.797 17.079 ( -2.085 -1.204 1.345) 2.758 17.178 ( -0.473 -0.273 -3.826) 3.865 17.214 ( 2.788 1.609 -0.767) 3.309 17.587 ( -0.993 -0.573 -1.490) 1.880 17.639 ( -3.885 -2.243 0.733) 4.546 17.648 ( 2.066 1.193 1.449) 2.791 17.849 ( 5.585 3.224 1.066) 6.536 20.380 ( 0.341 0.197 11.734) 11.741 20.648 ( -0.085 -0.049 -14.938) 14.938 21.716 ( -1.280 -0.739 6.170) 6.345 21.822 ( -0.501 -0.289 -4.285) 4.324 26.255 ( -0.167 -0.097 0.589) 0.619 26.284 ( 1.286 0.743 -0.681) 1.634 26.467 ( -0.840 -0.485 2.228) 2.429 26.520 ( -0.201 -0.116 -2.292) 2.304 35.414 ( 1.950 1.126 -0.220) 2.262 35.459 ( 3.845 2.220 0.383) 4.456 35.472 ( 3.965 2.289 1.646) 4.865 35.642 ( 9.140 5.277 -7.088) 12.713 36.586 ( -15.595 -9.003 11.381) 21.302 36.883 ( -13.985 -8.074 -8.548) 18.272 37.597 ( 9.250 5.340 23.858) 26.140 37.977 ( 10.876 6.279 -18.314) 22.206 ======================= Grid point 235 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 -13.550 15.274) 20.418 2.389 ( 0.000 -7.485 14.063) 15.931 2.471 ( -0.000 -12.844 -7.646) 14.948 2.587 ( 0.000 10.400 19.982) 22.527 2.626 ( 0.000 -3.605 9.125) 9.811 2.655 ( 0.000 2.880 16.095) 16.351 2.806 ( -0.000 2.570 -2.193) 3.379 2.930 ( -0.000 8.600 -13.128) 15.694 3.020 ( -0.000 1.926 -14.773) 14.898 3.064 ( -0.000 2.338 -17.300) 17.457 3.737 ( 0.000 10.100 15.704) 18.671 3.990 ( -0.000 6.445 -10.853) 12.622 4.528 ( 0.000 -10.512 7.001) 12.630 4.720 ( 0.000 2.173 6.144) 6.517 4.752 ( -0.000 -5.364 -10.578) 11.861 4.839 ( -0.000 -1.355 -8.037) 8.150 5.246 ( 0.000 -4.253 7.752) 8.842 5.434 ( -0.000 3.108 -8.623) 9.166 5.557 ( 0.000 4.545 9.238) 10.295 5.622 ( 0.000 3.360 14.421) 14.807 5.837 ( -0.000 -5.358 -19.340) 20.068 5.977 ( -0.000 2.372 -16.598) 16.767 6.197 ( 0.000 -13.310 8.959) 16.044 6.440 ( -0.000 -8.387 -7.487) 11.243 6.812 ( 0.000 1.683 11.453) 11.576 6.853 ( 0.000 6.585 11.076) 12.885 7.022 ( -0.000 4.169 -8.630) 9.585 7.051 ( -0.000 5.612 -8.696) 10.349 7.815 ( -0.000 -2.919 -0.865) 3.044 7.825 ( -0.000 0.515 -0.124) 0.530 8.144 ( 0.000 -0.196 4.510) 4.514 8.160 ( 0.000 2.381 2.502) 3.454 8.178 ( -0.000 -5.534 -2.595) 6.112 8.252 ( -0.000 0.067 -3.381) 3.382 8.457 ( 0.000 4.306 6.995) 8.215 8.573 ( -0.000 0.822 -6.677) 6.727 8.767 ( 0.000 -5.971 7.322) 9.448 8.921 ( -0.000 -5.952 -7.711) 9.741 9.034 ( 0.000 -0.050 4.104) 4.104 9.124 ( 0.000 9.209 3.913) 10.006 9.127 ( -0.000 -3.278 -1.587) 3.642 9.206 ( -0.000 12.842 -4.776) 13.701 17.111 ( 0.000 -1.780 2.764) 3.288 17.139 ( 0.000 0.570 0.979) 1.133 17.161 ( -0.000 -1.219 -1.360) 1.826 17.174 ( -0.000 -2.181 -3.008) 3.715 17.586 ( 0.000 -3.491 2.187) 4.120 17.658 ( -0.000 0.119 -1.381) 1.386 17.691 ( 0.000 -0.300 0.235) 0.381 17.742 ( -0.000 6.768 -0.025) 6.768 20.376 ( 0.000 -0.005 11.494) 11.494 20.650 ( -0.000 0.153 -15.062) 15.063 21.737 ( 0.000 -1.072 5.187) 5.297 21.830 ( -0.000 -0.344 -3.820) 3.835 26.256 ( 0.000 0.571 0.444) 0.723 26.264 ( -0.000 0.424 -0.335) 0.540 26.482 ( 0.000 -0.523 1.843) 1.916 26.524 ( -0.000 -0.418 -2.196) 2.236 35.356 ( 0.000 -0.399 2.048) 2.086 35.429 ( 0.000 5.312 1.828) 5.618 35.457 ( -0.000 5.128 -5.137) 7.258 35.459 ( -0.000 3.189 -3.143) 4.478 36.900 ( 0.000 -15.083 14.908) 21.207 37.136 ( -0.000 -21.545 -10.485) 23.961 37.371 ( 0.000 12.001 21.292) 24.441 37.768 ( -0.000 18.148 -15.266) 23.715 ======================= Grid point 236 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -5.970 -13.670 -10.162) 18.050 2.132 ( -8.854 -12.005 10.162) 18.050 2.552 ( -10.827 3.403 -3.862) 11.988 2.552 ( 8.360 -7.675 3.862) 11.988 2.807 ( 1.468 -3.253 -8.036) 8.793 2.807 ( -3.551 -0.356 8.036) 8.793 2.865 ( 1.433 1.738 -12.602) 12.802 2.865 ( 0.789 2.110 12.602) 12.802 2.978 ( 4.932 8.792 -15.169) 18.213 2.978 ( 5.148 8.667 15.169) 18.213 4.005 ( 7.911 9.361 -10.819) 16.348 4.005 ( 4.152 11.532 10.819) 16.348 4.518 ( -9.110 -6.049 -9.186) 14.282 4.518 ( -0.684 -10.914 9.186) 14.282 4.781 ( 1.140 -0.397 -6.566) 6.676 4.781 ( -0.914 0.789 6.566) 6.676 5.319 ( -6.581 -0.633 -9.605) 11.661 5.319 ( 2.743 -6.016 9.605) 11.661 5.670 ( 5.800 -0.579 -10.481) 11.992 5.670 ( -3.401 4.733 10.481) 11.992 5.846 ( -0.104 4.849 -14.522) 15.311 5.846 ( 4.252 2.335 14.522) 15.311 6.163 ( -17.500 -7.173 -7.677) 20.412 6.163 ( 2.538 -18.742 7.677) 20.412 6.944 ( 1.393 2.656 -8.073) 8.613 6.944 ( 1.604 2.534 8.073) 8.613 7.052 ( 6.095 4.681 -7.684) 10.867 7.052 ( 1.006 7.619 7.684) 10.867 7.793 ( 2.344 -4.464 -0.709) 5.092 7.793 ( -5.038 -0.202 0.709) 5.092 8.139 ( 2.502 -2.754 -1.916) 4.185 8.139 ( -3.636 0.790 1.916) 4.185 8.234 ( 0.057 2.134 -2.580) 3.349 8.234 ( 1.820 1.116 2.580) 3.349 8.546 ( 5.356 0.671 -7.274) 9.058 8.546 ( -2.097 4.973 7.274) 9.058 8.776 ( -2.763 -4.089 -6.786) 8.391 8.776 ( -2.160 -4.438 6.786) 8.391 9.034 ( -5.724 -3.737 -2.333) 7.223 9.034 ( -0.375 -6.825 2.333) 7.223 9.329 ( 10.227 11.599 -3.974) 15.966 9.329 ( 4.931 14.656 3.974) 15.966 17.089 ( -1.181 -4.629 -2.187) 5.254 17.089 ( -3.418 -3.337 2.187) 5.254 17.170 ( 2.813 -0.309 -0.874) 2.961 17.170 ( -1.674 2.282 0.874) 2.961 17.592 ( -2.994 -0.339 -1.784) 3.502 17.592 ( 1.203 -2.763 1.784) 3.502 17.770 ( 3.311 2.863 -0.968) 4.483 17.770 ( 0.824 4.299 0.968) 4.483 20.505 ( -0.089 0.274 -13.804) 13.807 20.505 ( 0.282 0.060 13.804) 13.807 21.778 ( -0.494 -0.754 -5.127) 5.206 21.778 ( -0.406 -0.804 5.127) 5.206 26.267 ( 0.758 0.265 -0.694) 1.062 26.267 ( -0.149 0.789 0.694) 1.062 26.496 ( -0.115 -0.571 -2.371) 2.442 26.496 ( -0.436 -0.385 2.371) 2.442 35.411 ( -1.715 3.453 -3.788) 5.405 35.411 ( 3.847 0.241 3.788) 5.405 35.525 ( 6.022 5.530 -4.545) 9.354 35.525 ( 1.779 7.980 4.545) 9.354 36.814 ( -5.740 -17.587 -11.058) 21.553 36.814 ( -12.361 -13.765 11.058) 21.553 37.750 ( 3.923 12.436 -21.163) 24.858 37.750 ( 8.809 9.615 21.163) 24.858 ======================= Grid point 307 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -0.000 0.000 -16.469) 16.469 2.563 ( -0.000 0.000 -16.469) 16.469 2.563 ( 0.000 -0.000 16.469) 16.469 2.563 ( 0.000 -0.000 16.469) 16.469 2.618 ( -0.000 0.000 -12.621) 12.621 2.618 ( 0.000 -0.000 12.621) 12.621 2.853 ( -0.000 0.000 -18.373) 18.373 2.853 ( -0.000 0.000 -18.373) 18.373 2.853 ( 0.000 -0.000 18.373) 18.373 2.853 ( 0.000 -0.000 18.373) 18.373 3.804 ( -0.000 0.000 -13.417) 13.417 3.804 ( 0.000 -0.000 13.417) 13.417 4.737 ( -0.000 0.000 -8.673) 8.673 4.737 ( -0.000 0.000 -8.673) 8.673 4.737 ( 0.000 -0.000 8.673) 8.673 4.737 ( 0.000 -0.000 8.673) 8.673 5.322 ( -0.000 0.000 -6.959) 6.959 5.322 ( 0.000 -0.000 6.959) 6.959 5.726 ( -0.000 0.000 -18.209) 18.209 5.726 ( -0.000 0.000 -18.209) 18.209 5.726 ( 0.000 -0.000 18.209) 18.209 5.726 ( 0.000 -0.000 18.209) 18.209 6.432 ( -0.000 0.000 -11.244) 11.244 6.432 ( 0.000 -0.000 11.244) 11.244 6.898 ( -0.000 0.000 -9.830) 9.830 6.898 ( -0.000 0.000 -9.830) 9.830 6.898 ( 0.000 -0.000 9.830) 9.830 6.898 ( 0.000 -0.000 9.830) 9.830 7.827 ( -0.000 0.000 -0.653) 0.653 7.827 ( 0.000 -0.000 0.653) 0.653 8.190 ( -0.000 0.000 -4.807) 4.807 8.190 ( -0.000 0.000 -4.807) 4.807 8.190 ( 0.000 -0.000 4.807) 4.807 8.190 ( 0.000 -0.000 4.807) 4.807 8.500 ( -0.000 0.000 -6.989) 6.989 8.500 ( 0.000 -0.000 6.989) 6.989 8.963 ( -0.000 0.000 -7.386) 7.386 8.963 ( -0.000 0.000 -7.386) 7.386 8.963 ( 0.000 -0.000 7.386) 7.386 8.963 ( 0.000 -0.000 7.386) 7.386 9.135 ( -0.000 0.000 -2.341) 2.341 9.135 ( 0.000 -0.000 2.341) 2.341 17.154 ( -0.000 0.000 -2.682) 2.682 17.154 ( -0.000 0.000 -2.682) 2.682 17.154 ( 0.000 -0.000 2.682) 2.682 17.154 ( 0.000 -0.000 2.682) 2.682 17.665 ( -0.000 0.000 -1.645) 1.645 17.665 ( 0.000 -0.000 1.645) 1.645 17.665 ( -0.000 0.000 -1.645) 1.645 17.665 ( 0.000 -0.000 1.645) 1.645 20.503 ( -0.000 0.000 -13.749) 13.749 20.503 ( 0.000 -0.000 13.749) 13.749 21.792 ( -0.000 0.000 -4.346) 4.346 21.792 ( 0.000 -0.000 4.346) 4.346 26.256 ( -0.000 0.000 -0.444) 0.444 26.256 ( 0.000 -0.000 0.444) 0.444 26.506 ( -0.000 0.000 -2.102) 2.102 26.506 ( 0.000 -0.000 2.102) 2.102 35.393 ( -0.000 0.000 -2.634) 2.634 35.393 ( -0.000 0.000 -2.634) 2.634 35.393 ( 0.000 -0.000 2.634) 2.634 35.393 ( 0.000 -0.000 2.634) 2.634 37.320 ( -0.000 0.000 -15.917) 15.917 37.320 ( -0.000 0.000 -15.917) 15.917 37.320 ( 0.000 -0.000 15.917) 15.917 37.320 ( 0.000 -0.000 15.917) 15.917 =================== 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 24.760 24.760 25.983 0.000 -0.000 0.000 3/33792 20.0 8.802 8.802 10.096 0.000 -0.000 0.000 3/33792 30.0 6.409 6.409 7.098 0.000 -0.000 0.000 3/33792 40.0 5.230 5.230 5.650 0.000 -0.000 0.000 3/33792 50.0 4.433 4.433 4.754 0.000 -0.000 0.000 3/33792 60.0 3.844 3.844 4.133 0.000 -0.000 0.000 3/33792 70.0 3.391 3.391 3.670 0.000 -0.000 0.000 3/33792 80.0 3.033 3.033 3.309 0.000 -0.000 0.000 3/33792 90.0 2.745 2.745 3.017 0.000 -0.000 0.000 3/33792 100.0 2.509 2.509 2.774 0.000 -0.000 0.000 3/33792 110.0 2.311 2.311 2.570 0.000 -0.000 0.000 3/33792 120.0 2.144 2.144 2.394 0.000 -0.000 0.000 3/33792 130.0 2.000 2.000 2.242 0.000 -0.000 0.000 3/33792 140.0 1.875 1.875 2.109 0.000 -0.000 0.000 3/33792 150.0 1.766 1.766 1.991 0.000 -0.000 0.000 3/33792 160.0 1.669 1.669 1.887 0.000 -0.000 0.000 3/33792 170.0 1.583 1.583 1.793 0.000 -0.000 0.000 3/33792 180.0 1.505 1.505 1.709 0.000 -0.000 0.000 3/33792 190.0 1.435 1.435 1.634 0.000 -0.000 0.000 3/33792 200.0 1.372 1.372 1.566 0.000 -0.000 0.000 3/33792 210.0 1.314 1.314 1.504 0.000 -0.000 0.000 3/33792 220.0 1.262 1.262 1.447 0.000 -0.000 0.000 3/33792 230.0 1.213 1.213 1.396 0.000 -0.000 0.000 3/33792 240.0 1.168 1.168 1.349 0.000 -0.000 0.000 3/33792 250.0 1.127 1.127 1.305 0.000 -0.000 0.000 3/33792 260.0 1.089 1.089 1.266 0.000 -0.000 0.000 3/33792 270.0 1.053 1.053 1.229 0.000 -0.000 0.000 3/33792 280.0 1.020 1.020 1.196 0.000 -0.000 0.000 3/33792 290.0 0.989 0.989 1.164 0.000 -0.000 0.000 3/33792 300.0 0.960 0.960 1.135 0.000 -0.000 0.000 3/33792 310.0 0.933 0.933 1.108 0.000 -0.000 0.000 3/33792 320.0 0.907 0.907 1.083 0.000 -0.000 0.000 3/33792 330.0 0.883 0.883 1.060 0.000 -0.000 0.000 3/33792 340.0 0.860 0.860 1.038 0.000 -0.000 0.000 3/33792 350.0 0.839 0.839 1.018 0.000 -0.000 0.000 3/33792 360.0 0.818 0.818 0.998 0.000 -0.000 0.000 3/33792 370.0 0.799 0.799 0.980 0.000 -0.000 0.000 3/33792 380.0 0.781 0.781 0.963 0.000 -0.000 0.000 3/33792 390.0 0.763 0.763 0.947 0.000 -0.000 0.000 3/33792 400.0 0.747 0.747 0.932 0.000 -0.000 0.000 3/33792 410.0 0.731 0.731 0.917 0.000 -0.000 0.000 3/33792 420.0 0.716 0.716 0.903 0.000 -0.000 0.000 3/33792 430.0 0.702 0.702 0.890 0.000 -0.000 0.000 3/33792 440.0 0.688 0.688 0.878 0.000 -0.000 0.000 3/33792 450.0 0.675 0.675 0.866 0.000 -0.000 0.000 3/33792 460.0 0.662 0.662 0.854 0.000 -0.000 0.000 3/33792 470.0 0.650 0.650 0.843 0.000 -0.000 0.000 3/33792 480.0 0.638 0.638 0.832 0.000 -0.000 0.000 3/33792 490.0 0.627 0.627 0.822 0.000 -0.000 0.000 3/33792 500.0 0.616 0.616 0.812 0.000 -0.000 0.000 3/33792 510.0 0.606 0.606 0.803 0.000 -0.000 0.000 3/33792 520.0 0.596 0.596 0.794 0.000 -0.000 0.000 3/33792 530.0 0.586 0.586 0.785 0.000 -0.000 0.000 3/33792 540.0 0.577 0.577 0.776 0.000 -0.000 0.000 3/33792 550.0 0.568 0.568 0.768 0.000 -0.000 0.000 3/33792 560.0 0.559 0.559 0.760 0.000 -0.000 0.000 3/33792 570.0 0.551 0.551 0.752 0.000 -0.000 0.000 3/33792 580.0 0.542 0.542 0.744 0.000 -0.000 0.000 3/33792 590.0 0.535 0.535 0.737 0.000 -0.000 0.000 3/33792 600.0 0.527 0.527 0.730 0.000 -0.000 0.000 3/33792 610.0 0.519 0.519 0.723 0.000 -0.000 0.000 3/33792 620.0 0.512 0.512 0.716 0.000 -0.000 0.000 3/33792 630.0 0.505 0.505 0.709 0.000 -0.000 0.000 3/33792 640.0 0.498 0.498 0.703 0.000 -0.000 0.000 3/33792 650.0 0.492 0.492 0.696 0.000 -0.000 0.000 3/33792 660.0 0.485 0.485 0.690 0.000 -0.000 0.000 3/33792 670.0 0.479 0.479 0.684 0.000 -0.000 0.000 3/33792 680.0 0.473 0.473 0.678 0.000 -0.000 0.000 3/33792 690.0 0.467 0.467 0.672 0.000 -0.000 0.000 3/33792 700.0 0.462 0.462 0.666 0.000 -0.000 0.000 3/33792 710.0 0.456 0.456 0.661 0.000 -0.000 0.000 3/33792 720.0 0.450 0.450 0.655 0.000 -0.000 0.000 3/33792 730.0 0.445 0.445 0.650 0.000 -0.000 0.000 3/33792 740.0 0.440 0.440 0.645 0.000 -0.000 0.000 3/33792 750.0 0.435 0.435 0.639 0.000 -0.000 0.000 3/33792 760.0 0.430 0.430 0.634 0.000 -0.000 0.000 3/33792 770.0 0.425 0.425 0.629 0.000 -0.000 0.000 3/33792 780.0 0.420 0.420 0.624 0.000 -0.000 0.000 3/33792 790.0 0.416 0.416 0.619 0.000 -0.000 0.000 3/33792 800.0 0.411 0.411 0.615 0.000 -0.000 0.000 3/33792 810.0 0.407 0.407 0.610 0.000 -0.000 0.000 3/33792 820.0 0.403 0.403 0.605 0.000 -0.000 0.000 3/33792 830.0 0.398 0.398 0.601 0.000 -0.000 0.000 3/33792 840.0 0.394 0.394 0.596 0.000 -0.000 0.000 3/33792 850.0 0.390 0.390 0.592 0.000 -0.000 0.000 3/33792 860.0 0.386 0.386 0.588 0.000 -0.000 0.000 3/33792 870.0 0.382 0.382 0.584 0.000 -0.000 0.000 3/33792 880.0 0.379 0.379 0.579 0.000 -0.000 0.000 3/33792 890.0 0.375 0.375 0.575 0.000 -0.000 0.000 3/33792 900.0 0.371 0.371 0.571 0.000 -0.000 0.000 3/33792 910.0 0.368 0.368 0.567 0.000 -0.000 0.000 3/33792 920.0 0.364 0.364 0.563 0.000 -0.000 0.000 3/33792 930.0 0.361 0.361 0.559 0.000 -0.000 0.000 3/33792 940.0 0.357 0.357 0.556 0.000 -0.000 0.000 3/33792 950.0 0.354 0.354 0.552 0.000 -0.000 0.000 3/33792 960.0 0.351 0.351 0.548 0.000 -0.000 0.000 3/33792 970.0 0.348 0.348 0.544 0.000 -0.000 0.000 3/33792 980.0 0.345 0.345 0.541 0.000 -0.000 0.000 3/33792 990.0 0.342 0.342 0.537 0.000 -0.000 0.000 3/33792 1000.0 0.339 0.339 0.534 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 2026-01-08 02:04:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|