----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.770081562896773 2.754007874394917 3.754132286666663 b -4.770081562896764 2.754007874394917 3.754132286666663 c -0.000000000000004 -5.508015748789842 3.754132286666663 Atomic positions (fractional): *1 O 0.21333164276496 0.53970937936507 0.40618117512742 15.999 2 O 0.40618117512742 0.21333164276496 0.53970937936507 15.999 3 O 0.53970937936507 0.40618117512742 0.21333164276496 15.999 4 O 0.09381882487258 0.96029062063493 0.28666835723504 15.999 5 O 0.28666835723504 0.09381882487258 0.96029062063493 15.999 6 O 0.96029062063493 0.28666835723504 0.09381882487258 15.999 7 O 0.78666835723504 0.46029062063493 0.59381882487258 15.999 8 O 0.59381882487258 0.78666835723504 0.46029062063493 15.999 9 O 0.46029062063493 0.59381882487258 0.78666835723504 15.999 10 O 0.90618117512742 0.03970937936507 0.71333164276496 15.999 11 O 0.03970937936507 0.71333164276496 0.90618117512742 15.999 12 O 0.71333164276496 0.90618117512742 0.03970937936507 15.999 *13 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 14 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 *15 Sr 0.11380656540923 0.38619343459077 0.75000000000000 87.620 16 Sr 0.75000000000000 0.11380656540923 0.38619343459077 87.620 17 Sr 0.61380656540923 0.25000000000000 0.88619343459077 87.620 18 Sr 0.88619343459077 0.61380656540923 0.25000000000000 87.620 19 Sr 0.25000000000000 0.88619343459077 0.61380656540923 87.620 20 Sr 0.38619343459077 0.75000000000000 0.11380656540923 87.620 *21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.540163125793537 0.000000000000000 0.000000000000000 b -4.770081562896769 8.262023623184760 0.000000000000000 c 0.000000000000000 0.000000000000000 11.262396860000001 Atomic positions (fractional): *1 O 0.82692424367914 0.98022622395840 0.38640739908582 15.999 > 1 2 O 0.01977377604160 0.84669801972075 0.38640739908582 15.999 > 2 3 O 0.15330198027925 0.17307575632086 0.38640739908582 15.999 > 3 4 O 0.64689289062506 0.16025757701248 0.44692593424752 15.999 > 4 5 O 0.83974242298752 0.48663531361259 0.44692593424752 15.999 > 5 6 O 0.51336468638741 0.35310710937494 0.44692593424752 15.999 > 6 7 O 0.17307575632086 0.01977377604160 0.61359260091418 15.999 > 7 8 O 0.98022622395840 0.15330198027925 0.61359260091418 15.999 > 8 9 O 0.84669801972075 0.82692424367914 0.61359260091418 15.999 > 9 10 O 0.35310710937494 0.83974242298752 0.55307406575248 15.999 > 10 11 O 0.48663531361259 0.64689289062506 0.55307406575248 15.999 > 11 12 O 0.16025757701248 0.51336468638741 0.55307406575248 15.999 > 12 13 O 0.49359091034581 0.31355955729173 0.71974073241915 15.999 > 1 14 O 0.68644044270827 0.18003135305408 0.71974073241915 15.999 > 2 15 O 0.81996864694592 0.50640908965419 0.71974073241915 15.999 > 3 16 O 0.31355955729173 0.49359091034581 0.78025926758085 15.999 > 4 17 O 0.50640908965419 0.81996864694592 0.78025926758085 15.999 > 5 18 O 0.18003135305408 0.68644044270827 0.78025926758085 15.999 > 6 19 O 0.83974242298752 0.35310710937494 0.94692593424752 15.999 > 7 20 O 0.64689289062506 0.48663531361259 0.94692593424752 15.999 > 8 21 O 0.51336468638741 0.16025757701248 0.94692593424752 15.999 > 9 22 O 0.01977377604160 0.17307575632086 0.88640739908582 15.999 > 10 23 O 0.15330198027925 0.98022622395840 0.88640739908582 15.999 > 11 24 O 0.82692424367914 0.84669801972075 0.88640739908582 15.999 > 12 25 O 0.16025757701248 0.64689289062506 0.05307406575248 15.999 > 1 26 O 0.35310710937494 0.51336468638741 0.05307406575248 15.999 > 2 27 O 0.48663531361259 0.83974242298752 0.05307406575248 15.999 > 3 28 O 0.98022622395840 0.82692424367914 0.11359260091418 15.999 > 4 29 O 0.17307575632086 0.15330198027925 0.11359260091418 15.999 > 5 30 O 0.84669801972075 0.01977377604160 0.11359260091418 15.999 > 6 31 O 0.50640908965419 0.68644044270827 0.28025926758085 15.999 > 7 32 O 0.31355955729173 0.81996864694592 0.28025926758085 15.999 > 8 33 O 0.18003135305408 0.49359091034581 0.28025926758085 15.999 > 9 34 O 0.68644044270827 0.50640908965419 0.21974073241915 15.999 > 10 35 O 0.81996864694592 0.31355955729173 0.21974073241915 15.999 > 11 36 O 0.49359091034581 0.18003135305408 0.21974073241915 15.999 > 12 *37 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 13 38 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 14 39 Zn 0.66666666666667 0.33333333333333 0.08333333333333 65.380 > 13 40 Zn 0.66666666666667 0.33333333333333 0.58333333333333 65.380 > 14 41 Zn 0.33333333333333 0.66666666666667 0.41666666666667 65.380 > 13 42 Zn 0.33333333333333 0.66666666666667 0.91666666666667 65.380 > 14 *43 Sr 0.69713989874256 0.66666666666667 0.41666666666667 87.620 > 15 44 Sr 0.33333333333333 0.03047323207590 0.41666666666667 87.620 > 16 45 Sr 0.03047323207590 0.69713989874256 0.58333333333333 87.620 > 17 46 Sr 0.30286010125744 0.33333333333333 0.58333333333333 87.620 > 18 47 Sr 0.66666666666667 0.96952676792410 0.58333333333333 87.620 > 19 48 Sr 0.96952676792410 0.30286010125744 0.41666666666667 87.620 > 20 49 Sr 0.36380656540923 0.00000000000000 0.75000000000000 87.620 > 15 50 Sr 0.00000000000000 0.36380656540923 0.75000000000000 87.620 > 16 51 Sr 0.69713989874256 0.03047323207590 0.91666666666667 87.620 > 17 52 Sr 0.96952676792410 0.66666666666667 0.91666666666667 87.620 > 18 53 Sr 0.33333333333333 0.30286010125744 0.91666666666667 87.620 > 19 54 Sr 0.63619343459077 0.63619343459077 0.75000000000000 87.620 > 20 55 Sr 0.03047323207590 0.33333333333333 0.08333333333333 87.620 > 15 56 Sr 0.66666666666667 0.69713989874256 0.08333333333333 87.620 > 16 57 Sr 0.36380656540923 0.36380656540923 0.25000000000000 87.620 > 17 58 Sr 0.63619343459077 0.00000000000000 0.25000000000000 87.620 > 18 59 Sr 0.00000000000000 0.63619343459077 0.25000000000000 87.620 > 19 60 Sr 0.30286010125744 0.96952676792410 0.08333333333333 87.620 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.540163125793537 0.000000000000000 0.000000000000000 b -4.770081562896769 8.262023623184760 0.000000000000000 c 0.000000000000000 0.000000000000000 11.262396860000001 Atomic positions (fractional): *1 O 0.82692424367914 0.98022622395840 0.38640739908582 15.999 > 1 2 O 0.01977377604160 0.84669801972075 0.38640739908582 15.999 > 2 3 O 0.15330198027925 0.17307575632086 0.38640739908582 15.999 > 3 4 O 0.64689289062506 0.16025757701248 0.44692593424752 15.999 > 4 5 O 0.83974242298752 0.48663531361259 0.44692593424752 15.999 > 5 6 O 0.51336468638741 0.35310710937494 0.44692593424752 15.999 > 6 7 O 0.17307575632086 0.01977377604160 0.61359260091418 15.999 > 7 8 O 0.98022622395840 0.15330198027925 0.61359260091418 15.999 > 8 9 O 0.84669801972075 0.82692424367914 0.61359260091418 15.999 > 9 10 O 0.35310710937494 0.83974242298752 0.55307406575248 15.999 > 10 11 O 0.48663531361259 0.64689289062506 0.55307406575248 15.999 > 11 12 O 0.16025757701248 0.51336468638741 0.55307406575248 15.999 > 12 13 O 0.49359091034581 0.31355955729173 0.71974073241915 15.999 > 1 14 O 0.68644044270827 0.18003135305408 0.71974073241915 15.999 > 2 15 O 0.81996864694592 0.50640908965419 0.71974073241915 15.999 > 3 16 O 0.31355955729173 0.49359091034581 0.78025926758085 15.999 > 4 17 O 0.50640908965419 0.81996864694592 0.78025926758085 15.999 > 5 18 O 0.18003135305408 0.68644044270827 0.78025926758085 15.999 > 6 19 O 0.83974242298752 0.35310710937494 0.94692593424752 15.999 > 7 20 O 0.64689289062506 0.48663531361259 0.94692593424752 15.999 > 8 21 O 0.51336468638741 0.16025757701248 0.94692593424752 15.999 > 9 22 O 0.01977377604160 0.17307575632086 0.88640739908582 15.999 > 10 23 O 0.15330198027925 0.98022622395840 0.88640739908582 15.999 > 11 24 O 0.82692424367914 0.84669801972075 0.88640739908582 15.999 > 12 25 O 0.16025757701248 0.64689289062506 0.05307406575248 15.999 > 1 26 O 0.35310710937494 0.51336468638741 0.05307406575248 15.999 > 2 27 O 0.48663531361259 0.83974242298752 0.05307406575248 15.999 > 3 28 O 0.98022622395840 0.82692424367914 0.11359260091418 15.999 > 4 29 O 0.17307575632086 0.15330198027925 0.11359260091418 15.999 > 5 30 O 0.84669801972075 0.01977377604160 0.11359260091418 15.999 > 6 31 O 0.50640908965419 0.68644044270827 0.28025926758085 15.999 > 7 32 O 0.31355955729173 0.81996864694592 0.28025926758085 15.999 > 8 33 O 0.18003135305408 0.49359091034581 0.28025926758085 15.999 > 9 34 O 0.68644044270827 0.50640908965419 0.21974073241915 15.999 > 10 35 O 0.81996864694592 0.31355955729173 0.21974073241915 15.999 > 11 36 O 0.49359091034581 0.18003135305408 0.21974073241915 15.999 > 12 *37 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 13 38 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 14 39 Zn 0.66666666666667 0.33333333333333 0.08333333333333 65.380 > 13 40 Zn 0.66666666666667 0.33333333333333 0.58333333333333 65.380 > 14 41 Zn 0.33333333333333 0.66666666666667 0.41666666666667 65.380 > 13 42 Zn 0.33333333333333 0.66666666666667 0.91666666666667 65.380 > 14 *43 Sr 0.69713989874256 0.66666666666667 0.41666666666667 87.620 > 15 44 Sr 0.33333333333333 0.03047323207590 0.41666666666667 87.620 > 16 45 Sr 0.03047323207590 0.69713989874256 0.58333333333333 87.620 > 17 46 Sr 0.30286010125744 0.33333333333333 0.58333333333333 87.620 > 18 47 Sr 0.66666666666667 0.96952676792410 0.58333333333333 87.620 > 19 48 Sr 0.96952676792410 0.30286010125744 0.41666666666667 87.620 > 20 49 Sr 0.36380656540923 0.00000000000000 0.75000000000000 87.620 > 15 50 Sr 0.00000000000000 0.36380656540923 0.75000000000000 87.620 > 16 51 Sr 0.69713989874256 0.03047323207590 0.91666666666667 87.620 > 17 52 Sr 0.96952676792410 0.66666666666667 0.91666666666667 87.620 > 18 53 Sr 0.33333333333333 0.30286010125744 0.91666666666667 87.620 > 19 54 Sr 0.63619343459077 0.63619343459077 0.75000000000000 87.620 > 20 55 Sr 0.03047323207590 0.33333333333333 0.08333333333333 87.620 > 15 56 Sr 0.66666666666667 0.69713989874256 0.08333333333333 87.620 > 16 57 Sr 0.36380656540923 0.36380656540923 0.25000000000000 87.620 > 17 58 Sr 0.63619343459077 0.00000000000000 0.25000000000000 87.620 > 18 59 Sr 0.00000000000000 0.63619343459077 0.25000000000000 87.620 > 19 60 Sr 0.30286010125744 0.96952676792410 0.08333333333333 87.620 > 20 *61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 21 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 22 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 21 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 22 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 21 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5208408 -0.0000000 0.0000000 0.0000000 4.5208408 0.0000000 0.0000000 0.0000000 5.2505182 -------------------------- Born effective charges -------------------------- 1 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 2 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 3 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 4 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 5 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 6 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 7 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 8 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 9 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 10 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 11 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 12 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 13 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 14 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 15 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 16 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 17 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 18 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 19 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 20 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 21 Pt 1.5116368 0.0390841 0.0000000 -0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 22 Pt 1.5116368 -0.0390841 0.0000000 0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.330 Solver_block: 200 / 240 - Time: 0.321 Solver_block: 240 / 240 - Time: 0.149 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.821 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 198/198 Permutation basis: 8193/8193 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 300 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:58:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:58:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.770081562896773 2.754007874394917 3.754132286666663 b -4.770081562896764 2.754007874394917 3.754132286666663 c -0.000000000000004 -5.508015748789842 3.754132286666663 Atomic positions (fractional): 1 O 0.21333164276496 0.53970937936507 0.40618117512742 15.999 2 O 0.40618117512742 0.21333164276496 0.53970937936507 15.999 3 O 0.53970937936507 0.40618117512742 0.21333164276496 15.999 4 O 0.09381882487258 0.96029062063493 0.28666835723504 15.999 5 O 0.28666835723504 0.09381882487258 0.96029062063493 15.999 6 O 0.96029062063493 0.28666835723504 0.09381882487258 15.999 7 O 0.78666835723504 0.46029062063493 0.59381882487258 15.999 8 O 0.59381882487258 0.78666835723504 0.46029062063493 15.999 9 O 0.46029062063493 0.59381882487258 0.78666835723504 15.999 10 O 0.90618117512742 0.03970937936507 0.71333164276496 15.999 11 O 0.03970937936507 0.71333164276496 0.90618117512742 15.999 12 O 0.71333164276496 0.90618117512742 0.03970937936507 15.999 13 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 14 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 15 Sr 0.11380656540923 0.38619343459077 0.75000000000000 87.620 16 Sr 0.75000000000000 0.11380656540923 0.38619343459077 87.620 17 Sr 0.61380656540923 0.25000000000000 0.88619343459077 87.620 18 Sr 0.88619343459077 0.61380656540923 0.25000000000000 87.620 19 Sr 0.25000000000000 0.88619343459077 0.61380656540923 87.620 20 Sr 0.38619343459077 0.75000000000000 0.11380656540923 87.620 21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.540163125793537 0.000000000000000 0.000000000000000 b -4.770081562896769 8.262023623184760 0.000000000000000 c 0.000000000000000 0.000000000000000 11.262396860000001 Atomic positions (fractional): 1 O 0.82692424367914 0.98022622395840 0.38640739908582 15.999 > 1 2 O 0.01977377604160 0.84669801972075 0.38640739908582 15.999 > 2 3 O 0.15330198027925 0.17307575632086 0.38640739908582 15.999 > 3 4 O 0.64689289062506 0.16025757701248 0.44692593424752 15.999 > 4 5 O 0.83974242298752 0.48663531361259 0.44692593424752 15.999 > 5 6 O 0.51336468638741 0.35310710937494 0.44692593424752 15.999 > 6 7 O 0.17307575632086 0.01977377604160 0.61359260091418 15.999 > 7 8 O 0.98022622395840 0.15330198027925 0.61359260091418 15.999 > 8 9 O 0.84669801972075 0.82692424367914 0.61359260091418 15.999 > 9 10 O 0.35310710937494 0.83974242298752 0.55307406575248 15.999 > 10 11 O 0.48663531361259 0.64689289062506 0.55307406575248 15.999 > 11 12 O 0.16025757701248 0.51336468638741 0.55307406575248 15.999 > 12 13 O 0.49359091034581 0.31355955729173 0.71974073241915 15.999 > 1 14 O 0.68644044270827 0.18003135305408 0.71974073241915 15.999 > 2 15 O 0.81996864694592 0.50640908965419 0.71974073241915 15.999 > 3 16 O 0.31355955729173 0.49359091034581 0.78025926758085 15.999 > 4 17 O 0.50640908965419 0.81996864694592 0.78025926758085 15.999 > 5 18 O 0.18003135305408 0.68644044270827 0.78025926758085 15.999 > 6 19 O 0.83974242298752 0.35310710937494 0.94692593424752 15.999 > 7 20 O 0.64689289062506 0.48663531361259 0.94692593424752 15.999 > 8 21 O 0.51336468638741 0.16025757701248 0.94692593424752 15.999 > 9 22 O 0.01977377604160 0.17307575632086 0.88640739908582 15.999 > 10 23 O 0.15330198027925 0.98022622395840 0.88640739908582 15.999 > 11 24 O 0.82692424367914 0.84669801972075 0.88640739908582 15.999 > 12 25 O 0.16025757701248 0.64689289062506 0.05307406575248 15.999 > 1 26 O 0.35310710937494 0.51336468638741 0.05307406575248 15.999 > 2 27 O 0.48663531361259 0.83974242298752 0.05307406575248 15.999 > 3 28 O 0.98022622395840 0.82692424367914 0.11359260091418 15.999 > 4 29 O 0.17307575632086 0.15330198027925 0.11359260091418 15.999 > 5 30 O 0.84669801972075 0.01977377604160 0.11359260091418 15.999 > 6 31 O 0.50640908965419 0.68644044270827 0.28025926758085 15.999 > 7 32 O 0.31355955729173 0.81996864694592 0.28025926758085 15.999 > 8 33 O 0.18003135305408 0.49359091034581 0.28025926758085 15.999 > 9 34 O 0.68644044270827 0.50640908965419 0.21974073241915 15.999 > 10 35 O 0.81996864694592 0.31355955729173 0.21974073241915 15.999 > 11 36 O 0.49359091034581 0.18003135305408 0.21974073241915 15.999 > 12 37 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 37 38 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 38 39 Zn 0.66666666666667 0.33333333333333 0.08333333333333 65.380 > 37 40 Zn 0.66666666666667 0.33333333333333 0.58333333333333 65.380 > 38 41 Zn 0.33333333333333 0.66666666666667 0.41666666666667 65.380 > 37 42 Zn 0.33333333333333 0.66666666666667 0.91666666666667 65.380 > 38 43 Sr 0.69713989874256 0.66666666666667 0.41666666666667 87.620 > 43 44 Sr 0.33333333333333 0.03047323207590 0.41666666666667 87.620 > 44 45 Sr 0.03047323207590 0.69713989874256 0.58333333333333 87.620 > 45 46 Sr 0.30286010125744 0.33333333333333 0.58333333333333 87.620 > 46 47 Sr 0.66666666666667 0.96952676792410 0.58333333333333 87.620 > 47 48 Sr 0.96952676792410 0.30286010125744 0.41666666666667 87.620 > 48 49 Sr 0.36380656540923 0.00000000000000 0.75000000000000 87.620 > 43 50 Sr 0.00000000000000 0.36380656540923 0.75000000000000 87.620 > 44 51 Sr 0.69713989874256 0.03047323207590 0.91666666666667 87.620 > 45 52 Sr 0.96952676792410 0.66666666666667 0.91666666666667 87.620 > 46 53 Sr 0.33333333333333 0.30286010125744 0.91666666666667 87.620 > 47 54 Sr 0.63619343459077 0.63619343459077 0.75000000000000 87.620 > 48 55 Sr 0.03047323207590 0.33333333333333 0.08333333333333 87.620 > 43 56 Sr 0.66666666666667 0.69713989874256 0.08333333333333 87.620 > 44 57 Sr 0.36380656540923 0.36380656540923 0.25000000000000 87.620 > 45 58 Sr 0.63619343459077 0.00000000000000 0.25000000000000 87.620 > 46 59 Sr 0.00000000000000 0.63619343459077 0.25000000000000 87.620 > 47 60 Sr 0.30286010125744 0.96952676792410 0.08333333333333 87.620 > 48 61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5208408 -0.0000000 0.0000000 0.0000000 4.5208408 0.0000000 0.0000000 0.0000000 5.2505182 -------------------------- Born effective charges -------------------------- 1 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 2 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 3 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 4 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 5 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 6 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 7 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 8 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 9 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 10 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 11 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 12 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 13 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 14 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 15 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 16 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 17 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 18 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 19 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 20 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 21 Pt 1.5116368 0.0390841 0.0000000 -0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 22 Pt 1.5116368 -0.0390841 0.0000000 0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:58:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:58:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.770081562896773 2.754007874394917 3.754132286666663 b -4.770081562896764 2.754007874394917 3.754132286666663 c -0.000000000000004 -5.508015748789842 3.754132286666663 Atomic positions (fractional): 1 O 0.21333164276496 0.53970937936507 0.40618117512742 15.999 2 O 0.40618117512742 0.21333164276496 0.53970937936507 15.999 3 O 0.53970937936507 0.40618117512742 0.21333164276496 15.999 4 O 0.09381882487258 0.96029062063493 0.28666835723504 15.999 5 O 0.28666835723504 0.09381882487258 0.96029062063493 15.999 6 O 0.96029062063493 0.28666835723504 0.09381882487258 15.999 7 O 0.78666835723504 0.46029062063493 0.59381882487258 15.999 8 O 0.59381882487258 0.78666835723504 0.46029062063493 15.999 9 O 0.46029062063493 0.59381882487258 0.78666835723504 15.999 10 O 0.90618117512742 0.03970937936507 0.71333164276496 15.999 11 O 0.03970937936507 0.71333164276496 0.90618117512742 15.999 12 O 0.71333164276496 0.90618117512742 0.03970937936507 15.999 13 Zn 0.75000000000000 0.75000000000000 0.75000000000000 65.380 14 Zn 0.25000000000000 0.25000000000000 0.25000000000000 65.380 15 Sr 0.11380656540923 0.38619343459077 0.75000000000000 87.620 16 Sr 0.75000000000000 0.11380656540923 0.38619343459077 87.620 17 Sr 0.61380656540923 0.25000000000000 0.88619343459077 87.620 18 Sr 0.88619343459077 0.61380656540923 0.25000000000000 87.620 19 Sr 0.25000000000000 0.88619343459077 0.61380656540923 87.620 20 Sr 0.38619343459077 0.75000000000000 0.11380656540923 87.620 21 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 22 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.540163125793537 0.000000000000000 0.000000000000000 b -4.770081562896769 8.262023623184760 0.000000000000000 c 0.000000000000000 0.000000000000000 11.262396860000001 Atomic positions (fractional): 1 O 0.82692424367914 0.98022622395840 0.38640739908582 15.999 > 1 2 O 0.01977377604160 0.84669801972075 0.38640739908582 15.999 > 2 3 O 0.15330198027925 0.17307575632086 0.38640739908582 15.999 > 3 4 O 0.64689289062506 0.16025757701248 0.44692593424752 15.999 > 4 5 O 0.83974242298752 0.48663531361259 0.44692593424752 15.999 > 5 6 O 0.51336468638741 0.35310710937494 0.44692593424752 15.999 > 6 7 O 0.17307575632086 0.01977377604160 0.61359260091418 15.999 > 7 8 O 0.98022622395840 0.15330198027925 0.61359260091418 15.999 > 8 9 O 0.84669801972075 0.82692424367914 0.61359260091418 15.999 > 9 10 O 0.35310710937494 0.83974242298752 0.55307406575248 15.999 > 10 11 O 0.48663531361259 0.64689289062506 0.55307406575248 15.999 > 11 12 O 0.16025757701248 0.51336468638741 0.55307406575248 15.999 > 12 13 O 0.49359091034581 0.31355955729173 0.71974073241915 15.999 > 1 14 O 0.68644044270827 0.18003135305408 0.71974073241915 15.999 > 2 15 O 0.81996864694592 0.50640908965419 0.71974073241915 15.999 > 3 16 O 0.31355955729173 0.49359091034581 0.78025926758085 15.999 > 4 17 O 0.50640908965419 0.81996864694592 0.78025926758085 15.999 > 5 18 O 0.18003135305408 0.68644044270827 0.78025926758085 15.999 > 6 19 O 0.83974242298752 0.35310710937494 0.94692593424752 15.999 > 7 20 O 0.64689289062506 0.48663531361259 0.94692593424752 15.999 > 8 21 O 0.51336468638741 0.16025757701248 0.94692593424752 15.999 > 9 22 O 0.01977377604160 0.17307575632086 0.88640739908582 15.999 > 10 23 O 0.15330198027925 0.98022622395840 0.88640739908582 15.999 > 11 24 O 0.82692424367914 0.84669801972075 0.88640739908582 15.999 > 12 25 O 0.16025757701248 0.64689289062506 0.05307406575248 15.999 > 1 26 O 0.35310710937494 0.51336468638741 0.05307406575248 15.999 > 2 27 O 0.48663531361259 0.83974242298752 0.05307406575248 15.999 > 3 28 O 0.98022622395840 0.82692424367914 0.11359260091418 15.999 > 4 29 O 0.17307575632086 0.15330198027925 0.11359260091418 15.999 > 5 30 O 0.84669801972075 0.01977377604160 0.11359260091418 15.999 > 6 31 O 0.50640908965419 0.68644044270827 0.28025926758085 15.999 > 7 32 O 0.31355955729173 0.81996864694592 0.28025926758085 15.999 > 8 33 O 0.18003135305408 0.49359091034581 0.28025926758085 15.999 > 9 34 O 0.68644044270827 0.50640908965419 0.21974073241915 15.999 > 10 35 O 0.81996864694592 0.31355955729173 0.21974073241915 15.999 > 11 36 O 0.49359091034581 0.18003135305408 0.21974073241915 15.999 > 12 37 Zn 0.00000000000000 0.00000000000000 0.75000000000000 65.380 > 37 38 Zn 0.00000000000000 0.00000000000000 0.25000000000000 65.380 > 38 39 Zn 0.66666666666667 0.33333333333333 0.08333333333333 65.380 > 37 40 Zn 0.66666666666667 0.33333333333333 0.58333333333333 65.380 > 38 41 Zn 0.33333333333333 0.66666666666667 0.41666666666667 65.380 > 37 42 Zn 0.33333333333333 0.66666666666667 0.91666666666667 65.380 > 38 43 Sr 0.69713989874256 0.66666666666667 0.41666666666667 87.620 > 43 44 Sr 0.33333333333333 0.03047323207590 0.41666666666667 87.620 > 44 45 Sr 0.03047323207590 0.69713989874256 0.58333333333333 87.620 > 45 46 Sr 0.30286010125744 0.33333333333333 0.58333333333333 87.620 > 46 47 Sr 0.66666666666667 0.96952676792410 0.58333333333333 87.620 > 47 48 Sr 0.96952676792410 0.30286010125744 0.41666666666667 87.620 > 48 49 Sr 0.36380656540923 0.00000000000000 0.75000000000000 87.620 > 43 50 Sr 0.00000000000000 0.36380656540923 0.75000000000000 87.620 > 44 51 Sr 0.69713989874256 0.03047323207590 0.91666666666667 87.620 > 45 52 Sr 0.96952676792410 0.66666666666667 0.91666666666667 87.620 > 46 53 Sr 0.33333333333333 0.30286010125744 0.91666666666667 87.620 > 47 54 Sr 0.63619343459077 0.63619343459077 0.75000000000000 87.620 > 48 55 Sr 0.03047323207590 0.33333333333333 0.08333333333333 87.620 > 43 56 Sr 0.66666666666667 0.69713989874256 0.08333333333333 87.620 > 44 57 Sr 0.36380656540923 0.36380656540923 0.25000000000000 87.620 > 45 58 Sr 0.63619343459077 0.00000000000000 0.25000000000000 87.620 > 46 59 Sr 0.00000000000000 0.63619343459077 0.25000000000000 87.620 > 47 60 Sr 0.30286010125744 0.96952676792410 0.08333333333333 87.620 > 48 61 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 61 62 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 > 62 63 Pt 0.66666666666667 0.33333333333333 0.33333333333333 195.084 > 61 64 Pt 0.66666666666667 0.33333333333333 0.83333333333333 195.084 > 62 65 Pt 0.33333333333333 0.66666666666667 0.66666666666667 195.084 > 61 66 Pt 0.33333333333333 0.66666666666667 0.16666666666667 195.084 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5208408 -0.0000000 0.0000000 0.0000000 4.5208408 0.0000000 0.0000000 0.0000000 5.2505182 -------------------------- Born effective charges -------------------------- 1 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 2 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 3 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 4 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 5 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 6 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 7 O -2.4152876 -0.0847557 -0.5227064 -0.0132042 -1.3963200 -0.0535349 -0.5807957 -0.0117613 -2.1754771 8 O -1.6934797 0.4299401 0.3077158 0.5014916 -2.1181278 -0.4259096 0.3005834 -0.4971031 -2.1754771 9 O -1.6086440 -0.4525117 0.2149906 -0.3809602 -2.2029635 0.4794445 0.2802123 0.5088644 -2.1754771 10 O -1.6086440 0.4525117 -0.2149906 0.3809602 -2.2029635 0.4794445 -0.2802123 0.5088644 -2.1754771 11 O -2.4152876 0.0847557 0.5227064 0.0132042 -1.3963200 -0.0535349 0.5807957 -0.0117613 -2.1754771 12 O -1.6934797 -0.4299401 -0.3077158 -0.5014916 -2.1181278 -0.4259096 -0.3005834 -0.4971031 -2.1754771 13 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 14 Zn 1.3839838 -0.0000000 0.0000000 -0.0000000 1.3839838 -0.0000000 0.0000000 0.0000000 3.5187189 15 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 16 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 17 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 18 Sr 2.7396794 -0.0000000 -0.0000000 -0.0000000 2.9531219 0.3584667 0.0000000 0.2832205 2.3452915 19 Sr 2.8997613 0.0924233 -0.3104413 0.0924233 2.7930400 -0.1792334 -0.2452761 -0.1416102 2.3452915 20 Sr 2.8997613 -0.0924233 0.3104413 -0.0924233 2.7930400 -0.1792334 0.2452761 -0.1416102 2.3452915 21 Pt 1.5116368 0.0390841 0.0000000 -0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 22 Pt 1.5116368 -0.0390841 0.0000000 0.0390841 1.5116368 -0.0000000 0.0000000 0.0000000 2.4982693 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.992 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.359 ( 0.000 0.000 0.000) 0.000 17.359 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 0.000 0.000) 0.000 18.092 ( 0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 18.499 ( 0.000 0.000 0.000) 0.000 18.832 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 12.017 6.938 23.831) 27.576 0.531 ( 19.881 11.479 16.561) 28.307 0.972 ( 32.006 18.478 34.911) 50.839 3.107 ( -3.632 -2.097 -5.126) 6.623 3.153 ( -0.173 -0.100 -4.411) 4.416 3.331 ( -9.026 -5.211 1.480) 10.527 3.415 ( -2.357 -1.361 -3.752) 4.636 3.485 ( 0.268 0.155 -1.800) 1.826 3.525 ( -4.522 -2.611 0.461) 5.242 3.574 ( -4.929 -2.846 -0.210) 5.695 3.621 ( -2.386 -1.378 5.262) 5.940 3.644 ( -3.465 -2.000 3.912) 5.596 3.776 ( 1.191 0.688 1.197) 1.823 3.832 ( 5.208 3.007 2.015) 6.342 3.883 ( 6.983 4.032 1.356) 8.176 3.967 ( -0.263 -0.152 7.216) 7.222 4.080 ( 6.052 3.494 1.526) 7.153 4.394 ( -4.627 -2.672 0.887) 5.416 4.469 ( 0.582 0.336 4.917) 4.963 4.567 ( 2.886 1.666 -13.816) 14.213 4.782 ( -9.947 -5.743 -2.751) 11.811 4.897 ( 0.764 0.441 -7.341) 7.394 5.060 ( -4.917 -2.839 -0.547) 5.703 5.228 ( 6.589 3.804 -7.847) 10.930 5.242 ( 4.961 2.864 0.796) 5.783 5.316 ( -5.077 -2.931 -7.471) 9.496 5.625 ( -1.827 -1.055 3.462) 4.054 5.656 ( 8.040 4.642 -27.033) 28.583 5.838 ( 8.103 4.678 -11.271) 14.648 5.839 ( 15.896 9.178 -22.682) 29.179 6.113 ( 0.814 0.470 -1.233) 1.550 6.405 ( -3.709 -2.142 -3.320) 5.419 6.440 ( -0.500 -0.289 -3.230) 3.281 6.596 ( -0.388 -0.224 11.163) 11.172 6.629 ( -5.416 -3.127 -0.740) 6.297 7.406 ( -29.472 -17.016 42.646) 54.561 8.161 ( 2.469 1.425 0.941) 3.002 8.319 ( 1.335 0.771 5.704) 5.908 8.354 ( 1.063 0.614 13.966) 14.020 8.984 ( -2.662 -1.537 2.147) 3.749 9.186 ( -3.436 -1.984 -8.791) 9.645 9.538 ( 3.771 2.177 6.154) 7.539 9.677 ( 0.302 0.174 -2.191) 2.218 9.737 ( 2.857 1.650 3.342) 4.697 9.789 ( 20.827 12.024 -32.988) 40.824 10.530 ( -6.065 -3.501 1.305) 7.123 10.547 ( -3.661 -2.114 0.047) 4.228 10.884 ( 3.293 1.901 -2.113) 4.350 10.909 ( 4.943 2.854 0.883) 5.776 11.177 ( 1.108 0.640 2.728) 3.013 11.211 ( 1.105 0.638 2.243) 2.581 11.767 ( -8.403 -4.852 -5.213) 11.015 12.268 ( 0.746 0.431 14.541) 14.567 13.450 ( -2.100 -1.212 -4.545) 5.151 16.410 ( -1.110 -0.641 8.223) 8.322 16.465 ( 3.164 1.827 4.917) 6.126 16.755 ( -20.737 -11.972 34.813) 42.253 17.192 ( 2.638 1.523 -3.643) 4.749 17.316 ( -1.070 -0.618 -5.669) 5.802 18.031 ( -3.258 -1.881 -5.332) 6.525 18.114 ( 0.317 0.183 3.253) 3.273 18.458 ( -0.127 -0.073 -1.306) 1.315 18.510 ( 1.907 1.101 3.015) 3.734 18.524 ( 1.327 0.766 3.765) 4.065 18.824 ( 0.037 0.022 -1.367) 1.367 19.121 ( 10.738 6.200 -16.042) 20.275 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 13.970 8.066 23.783) 28.738 1.061 ( 19.779 11.419 16.408) 28.122 1.865 ( 27.643 15.960 30.651) 44.253 2.893 ( -10.721 -6.190 -10.108) 15.982 2.928 ( -13.584 -7.842 -11.006) 19.161 3.299 ( 2.723 1.572 -2.777) 4.195 3.347 ( -5.740 -3.314 6.786) 9.486 3.463 ( -0.400 -0.231 0.265) 0.532 3.500 ( 0.880 0.508 -3.048) 3.213 3.520 ( -2.624 -1.515 4.529) 5.449 3.616 ( -1.542 -0.890 -0.853) 1.974 3.661 ( 1.246 0.719 3.371) 3.665 3.792 ( 0.203 0.117 -1.248) 1.270 3.922 ( 1.083 0.625 4.486) 4.657 3.977 ( 1.810 1.045 -0.997) 2.315 4.030 ( -1.647 -0.951 8.742) 8.946 4.224 ( 4.447 2.567 4.358) 6.734 4.286 ( -6.856 -3.958 -2.872) 8.421 4.442 ( 6.083 3.512 -18.949) 20.209 4.556 ( 2.775 1.602 5.465) 6.335 4.618 ( -8.297 -4.790 3.215) 10.105 4.810 ( 0.546 0.315 -11.895) 11.912 4.971 ( -7.256 -4.189 5.205) 9.864 5.090 ( -6.844 -3.951 -6.451) 10.202 5.245 ( 5.546 3.202 -9.285) 11.280 5.310 ( 1.402 0.809 -0.237) 1.636 5.480 ( -2.143 -1.237 -11.587) 11.848 5.663 ( 5.064 2.923 -11.104) 12.549 5.827 ( 3.288 1.898 -2.870) 4.760 5.845 ( 9.444 5.453 -15.532) 18.978 6.097 ( -0.527 -0.305 -1.775) 1.876 6.301 ( -3.530 -2.038 -2.145) 4.606 6.377 ( 0.147 0.085 -7.280) 7.282 6.508 ( -7.297 -4.213 -0.018) 8.426 6.747 ( 0.888 0.513 13.965) 14.003 7.339 ( -13.768 -7.949 13.476) 20.841 8.219 ( 1.649 0.952 3.301) 3.811 8.454 ( 4.267 2.464 8.773) 10.062 8.571 ( 1.065 0.615 19.572) 19.611 8.905 ( -8.272 -4.776 -0.304) 9.556 9.042 ( -0.937 -0.541 -7.492) 7.570 9.657 ( 6.953 4.014 -14.959) 16.977 9.685 ( 5.015 2.895 3.993) 7.034 9.752 ( 1.601 0.925 -7.610) 7.831 9.880 ( 5.866 3.387 9.812) 11.923 10.440 ( -5.780 -3.337 2.092) 6.994 10.479 ( -3.690 -2.131 -0.202) 4.266 10.887 ( 0.396 0.229 -4.889) 4.911 11.018 ( 5.101 2.945 2.357) 6.344 11.234 ( 3.504 2.023 -0.624) 4.094 11.267 ( 1.376 0.795 3.265) 3.631 11.561 ( -4.452 -2.570 -10.084) 11.319 12.455 ( 1.669 0.964 15.307) 15.427 13.324 ( -3.821 -2.206 -8.652) 9.713 16.511 ( 2.635 1.521 7.227) 7.841 16.606 ( 4.201 2.425 7.555) 8.978 16.789 ( -9.786 -5.650 19.179) 22.260 17.187 ( 0.805 0.465 -8.438) 8.489 17.229 ( 3.117 1.800 -6.529) 7.455 17.875 ( -5.930 -3.424 -7.636) 10.257 18.169 ( 0.696 0.402 4.911) 4.977 18.432 ( -0.364 -0.210 -2.704) 2.737 18.568 ( 0.422 0.244 5.089) 5.113 18.645 ( 4.665 2.693 6.344) 8.322 18.802 ( 0.073 0.042 -2.807) 2.808 19.118 ( 3.333 1.924 -7.225) 8.186 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 15.871 9.163 22.750) 29.213 1.583 ( 19.255 11.117 16.003) 27.394 2.505 ( -17.002 -9.816 -15.795) 25.197 2.517 ( -8.783 -5.071 -7.615) 12.682 2.600 ( 13.520 7.806 17.097) 23.153 3.241 ( -4.468 -2.579 -2.509) 5.737 3.403 ( 0.678 0.392 5.607) 5.661 3.439 ( -0.706 -0.407 -0.887) 1.205 3.520 ( -1.718 -0.992 4.081) 4.538 3.555 ( 3.506 2.024 0.079) 4.050 3.575 ( -0.809 -0.467 -2.837) 2.987 3.720 ( -3.628 -2.095 -6.830) 8.012 3.752 ( 4.221 2.437 5.165) 7.102 3.939 ( 1.198 0.692 -6.230) 6.382 3.993 ( -0.804 -0.464 9.214) 9.261 4.090 ( -2.660 -1.536 7.530) 8.132 4.144 ( -1.470 -0.849 -7.897) 8.077 4.309 ( 0.929 0.536 4.195) 4.330 4.346 ( 3.939 2.274 -17.074) 17.670 4.530 ( -7.386 -4.264 -0.236) 8.532 4.669 ( 6.564 3.790 -2.005) 7.841 4.696 ( -3.827 -2.210 3.618) 5.711 4.959 ( -6.814 -3.934 15.470) 17.356 4.963 ( -3.049 -1.761 -1.877) 3.990 5.164 ( -0.894 -0.516 -9.996) 10.050 5.330 ( 4.184 2.415 -5.316) 7.183 5.401 ( 0.424 0.245 -0.655) 0.818 5.495 ( 1.064 0.614 -22.376) 22.410 5.838 ( 7.288 4.208 -11.200) 14.009 5.893 ( -1.806 -1.043 5.332) 5.726 6.092 ( -1.398 -0.807 6.958) 7.143 6.254 ( 1.707 0.986 -3.360) 3.895 6.292 ( 1.629 0.941 -10.525) 10.692 6.383 ( -7.757 -4.479 1.414) 9.068 6.919 ( 2.688 1.552 11.019) 11.448 7.227 ( -8.237 -4.756 1.168) 9.583 8.305 ( 1.659 0.958 7.440) 7.683 8.635 ( -4.115 -2.376 -8.821) 10.020 8.637 ( 5.322 3.073 8.126) 10.188 8.897 ( -2.934 -1.694 15.300) 15.671 8.970 ( -2.733 -1.578 7.234) 7.892 9.508 ( 7.368 4.254 -33.027) 34.105 9.752 ( -5.033 -2.906 11.766) 13.123 9.778 ( 4.896 2.827 -2.774) 6.298 10.141 ( 7.442 4.296 13.618) 16.102 10.379 ( -3.322 -1.918 1.005) 3.966 10.429 ( -2.024 -1.169 1.499) 2.777 10.764 ( -4.602 -2.657 -10.606) 11.862 11.132 ( 3.778 2.181 3.891) 5.846 11.267 ( 1.767 1.020 -2.456) 3.193 11.321 ( 0.391 0.226 3.487) 3.516 11.415 ( -0.446 -0.257 -7.987) 8.003 12.668 ( 3.247 1.875 15.244) 15.698 13.132 ( -4.766 -2.752 -11.963) 13.168 16.650 ( 4.288 2.476 6.187) 7.924 16.740 ( 2.078 1.200 4.940) 5.492 16.836 ( -6.146 -3.549 14.505) 16.148 17.051 ( -1.184 -0.683 -11.854) 11.933 17.292 ( 8.534 4.927 -2.751) 10.231 17.669 ( -8.051 -4.648 -6.841) 11.542 18.242 ( 0.999 0.577 5.366) 5.489 18.385 ( -0.728 -0.420 -4.038) 4.125 18.637 ( 0.354 0.204 5.879) 5.894 18.763 ( -0.034 -0.020 -4.303) 4.303 18.807 ( 4.824 2.785 7.212) 9.113 19.068 ( -0.682 -0.393 -6.143) 6.193 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -17.143 -9.897 -19.783) 27.986 2.004 ( 17.143 9.897 19.783) 27.986 2.082 ( -17.888 -10.328 -14.660) 25.329 2.082 ( 17.888 10.328 14.660) 25.329 3.047 ( -11.576 -6.683 -10.227) 16.830 3.047 ( 11.576 6.683 10.227) 16.830 3.435 ( 0.498 0.288 -1.474) 1.582 3.435 ( -0.498 -0.288 1.474) 1.582 3.537 ( 0.084 0.049 -2.013) 2.015 3.537 ( -0.084 -0.049 2.013) 2.015 3.606 ( -2.465 -1.423 -1.577) 3.254 3.606 ( 2.465 1.423 1.577) 3.254 3.884 ( -0.675 -0.390 -7.419) 7.459 3.884 ( 0.675 0.390 7.419) 7.459 4.075 ( 6.240 3.603 -12.714) 14.614 4.075 ( -6.240 -3.603 12.714) 14.614 4.170 ( -5.812 -3.356 -8.047) 10.478 4.170 ( 5.812 3.356 8.047) 10.478 4.392 ( -3.045 -1.758 -5.185) 6.265 4.392 ( 3.045 1.758 5.185) 6.265 4.715 ( 4.726 2.729 -7.544) 9.311 4.715 ( -4.726 -2.729 7.544) 9.311 4.952 ( 1.556 0.898 -7.847) 8.050 4.952 ( -1.556 -0.898 7.847) 8.050 5.207 ( 9.284 5.360 -33.491) 35.165 5.207 ( -9.284 -5.360 33.491) 35.165 5.401 ( 3.218 1.858 -6.147) 7.183 5.401 ( -3.218 -1.858 6.147) 7.183 5.865 ( 6.002 3.465 -5.169) 8.645 5.865 ( -6.002 -3.465 5.169) 8.645 6.194 ( 2.398 1.385 -14.096) 14.365 6.194 ( -2.398 -1.385 14.096) 14.365 6.283 ( 7.084 4.090 -5.112) 9.646 6.283 ( -7.084 -4.090 5.112) 9.646 7.082 ( -5.025 -2.901 -6.146) 8.452 7.082 ( 5.025 2.901 6.146) 8.452 8.448 ( -3.297 -1.904 -10.467) 11.138 8.448 ( 3.297 1.904 10.467) 11.138 8.806 ( -4.605 -2.659 -6.383) 8.308 8.806 ( 4.605 2.659 6.383) 8.308 9.229 ( 2.965 1.712 -32.108) 32.290 9.229 ( -2.965 -1.712 32.108) 32.290 9.793 ( 4.160 2.402 -8.634) 9.881 9.793 ( -4.160 -2.402 8.634) 9.881 10.333 ( -2.683 -1.549 -1.905) 3.637 10.333 ( 2.683 1.549 1.905) 3.637 10.526 ( -5.174 -2.987 -13.012) 14.317 10.526 ( 5.174 2.987 13.012) 14.317 11.228 ( -1.643 -0.949 -4.330) 4.727 11.228 ( 1.643 0.949 4.330) 4.727 11.358 ( 0.921 0.532 -4.457) 4.583 11.358 ( -0.921 -0.532 4.457) 4.583 12.902 ( -4.572 -2.640 -14.209) 15.158 12.902 ( 4.572 2.640 14.209) 15.158 16.762 ( -2.256 -1.302 -1.311) 2.916 16.762 ( 2.256 1.302 1.311) 2.916 16.911 ( 2.251 1.299 -13.541) 13.788 16.911 ( -2.251 -1.299 13.541) 13.788 17.456 ( -9.424 -5.441 -3.205) 11.344 17.456 ( 9.424 5.441 3.205) 11.344 18.319 ( -1.011 -0.584 -5.015) 5.149 18.319 ( 1.011 0.584 5.015) 5.149 18.706 ( -0.220 -0.127 -5.479) 5.484 18.706 ( 0.220 0.127 5.479) 5.484 18.959 ( -3.415 -1.971 -6.813) 7.872 18.959 ( 3.415 1.971 6.813) 7.872 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.000 14.681 21.405) 25.956 0.764 ( -0.000 15.670 23.230) 28.021 1.450 ( -0.000 20.756 49.120) 53.325 3.066 ( 0.000 -3.044 -5.998) 6.726 3.081 ( 0.000 -2.719 -6.580) 7.120 3.305 ( 0.000 -1.803 -7.119) 7.344 3.420 ( 0.000 1.937 -9.237) 9.438 3.430 ( -0.000 -7.600 7.549) 10.712 3.493 ( 0.000 -3.420 -2.629) 4.314 3.605 ( -0.000 -3.917 2.026) 4.410 3.647 ( -0.000 -7.237 3.048) 7.853 3.760 ( -0.000 -1.341 2.005) 2.412 3.768 ( -0.000 2.983 3.795) 4.827 3.887 ( 0.000 3.536 -0.642) 3.594 3.894 ( -0.000 3.406 5.373) 6.361 4.028 ( -0.000 7.921 5.673) 9.743 4.096 ( -0.000 -2.364 8.303) 8.632 4.322 ( 0.000 4.321 -21.211) 21.647 4.487 ( -0.000 1.317 2.605) 2.919 4.524 ( -0.000 -1.316 3.365) 3.613 4.757 ( 0.000 -2.700 -11.568) 11.879 4.845 ( 0.000 -6.187 -6.550) 9.010 4.854 ( -0.000 -5.510 0.784) 5.566 5.144 ( 0.000 2.371 -6.578) 6.993 5.246 ( 0.000 -1.729 -8.116) 8.299 5.367 ( 0.000 1.223 -1.965) 2.314 5.413 ( 0.000 20.477 -16.323) 26.186 5.582 ( 0.000 0.242 -12.883) 12.886 5.658 ( 0.000 3.639 -2.619) 4.484 5.783 ( 0.000 7.162 -1.331) 7.285 6.095 ( 0.000 1.327 -2.797) 3.096 6.338 ( 0.000 -10.807 -0.548) 10.821 6.428 ( 0.000 -1.137 -2.447) 2.699 6.611 ( 0.000 -6.013 -1.967) 6.326 6.733 ( -0.000 -0.556 12.767) 12.779 7.648 ( -0.000 -23.614 5.687) 24.289 8.185 ( -0.000 3.353 2.371) 4.107 8.369 ( -0.000 -5.360 13.074) 14.130 8.581 ( -0.000 9.876 14.770) 17.768 9.028 ( -0.000 -1.694 4.320) 4.640 9.155 ( 0.000 2.211 -12.201) 12.399 9.320 ( 0.000 20.315 -29.529) 35.842 9.641 ( -0.000 0.594 13.851) 13.864 9.735 ( -0.000 -4.532 5.935) 7.467 9.824 ( -0.000 3.154 8.863) 9.408 10.512 ( 0.000 -8.827 -0.473) 8.840 10.580 ( -0.000 -2.123 1.927) 2.867 10.866 ( 0.000 3.668 -1.775) 4.075 10.910 ( -0.000 5.731 -0.347) 5.742 11.184 ( -0.000 -1.447 0.469) 1.521 11.223 ( -0.000 -0.836 4.506) 4.583 11.664 ( 0.000 -2.543 -14.626) 14.845 12.439 ( -0.000 1.293 14.244) 14.302 13.375 ( 0.000 -2.182 -8.941) 9.203 16.499 ( -0.000 2.003 6.150) 6.468 16.520 ( -0.000 1.723 8.816) 8.983 17.037 ( -0.000 -19.580 13.648) 23.868 17.133 ( 0.000 2.601 -6.357) 6.868 17.281 ( 0.000 0.433 -5.747) 5.763 18.036 ( -0.000 -7.076 0.888) 7.131 18.135 ( -0.000 -0.453 3.054) 3.088 18.457 ( -0.000 -1.548 0.268) 1.571 18.483 ( -0.000 -0.237 1.586) 1.603 18.573 ( -0.000 0.351 5.887) 5.898 18.802 ( 0.000 0.455 -2.809) 2.846 18.994 ( 0.000 16.305 -8.555) 18.413 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 9.419 13.034 19.950) 25.625 1.189 ( 8.294 13.903 21.975) 27.295 2.183 ( 8.542 17.907 41.441) 45.945 2.876 ( -9.856 -6.506 -9.647) 15.249 2.906 ( -10.411 -5.203 -10.928) 15.966 3.220 ( 1.433 -0.118 -6.345) 6.506 3.359 ( 6.772 -1.247 -9.211) 11.500 3.454 ( -0.809 -3.809 5.650) 6.862 3.475 ( 0.733 -1.471 3.302) 3.688 3.587 ( -1.714 -2.638 -0.507) 3.187 3.614 ( 0.638 -3.400 0.162) 3.463 3.741 ( -4.747 0.586 -0.158) 4.786 3.748 ( -1.932 -0.205 0.987) 2.179 3.916 ( 3.577 4.653 -5.885) 8.311 3.977 ( -2.404 -1.576 2.360) 3.719 4.142 ( 4.790 2.634 -8.721) 10.292 4.173 ( -1.425 -1.946 9.198) 9.509 4.228 ( 3.375 4.344 0.262) 5.507 4.390 ( -8.580 4.002 -2.844) 9.885 4.526 ( 1.272 -5.951 -0.207) 6.089 4.660 ( 3.362 -1.088 -8.796) 9.479 4.743 ( -1.515 -2.718 2.370) 3.912 4.937 ( 7.794 -0.269 -1.683) 7.978 5.027 ( 1.166 0.001 -14.430) 14.477 5.072 ( -0.551 -2.955 -9.896) 10.342 5.302 ( -4.516 0.147 -8.638) 9.749 5.441 ( 1.123 4.524 1.370) 4.859 5.515 ( -1.404 7.062 -4.706) 8.602 5.671 ( 5.515 4.677 -7.439) 10.374 5.884 ( 1.168 3.937 7.873) 8.880 6.068 ( 0.344 1.713 -4.037) 4.399 6.249 ( -0.541 -12.256 1.236) 12.330 6.357 ( -3.727 -3.051 -2.389) 5.376 6.524 ( -2.090 -6.298 -1.424) 6.787 6.862 ( 1.366 0.012 9.055) 9.157 7.456 ( -7.039 -11.281 -4.168) 13.935 8.254 ( 1.523 3.372 3.418) 5.037 8.506 ( 2.805 -3.896 12.313) 13.215 8.776 ( -4.325 11.181 2.353) 12.217 8.959 ( -3.782 3.218 -5.095) 7.115 9.050 ( -2.394 -1.828 5.492) 6.264 9.245 ( 11.276 10.955 -29.132) 33.104 9.743 ( -2.315 -3.867 9.265) 10.303 9.854 ( 0.894 -2.078 15.104) 15.273 9.968 ( 2.853 0.343 13.175) 13.484 10.428 ( 0.797 -9.591 -1.490) 9.739 10.551 ( -6.422 0.819 1.898) 6.746 10.855 ( -2.290 1.866 -3.601) 4.657 10.989 ( 5.782 3.719 0.613) 6.902 11.192 ( 2.404 -1.404 -0.279) 2.798 11.278 ( 1.923 -1.117 3.361) 4.030 11.481 ( -2.757 2.225 -12.094) 12.602 12.609 ( 1.095 2.403 12.877) 13.145 13.222 ( -1.867 -2.740 -12.811) 13.233 16.588 ( 0.384 3.125 6.394) 7.127 16.661 ( 2.918 2.868 7.106) 8.200 17.011 ( -4.757 -7.307 7.967) 11.811 17.115 ( 3.196 3.958 -4.296) 6.658 17.181 ( -5.368 -0.169 -3.324) 6.316 17.907 ( -10.010 -6.572 0.973) 12.014 18.195 ( 3.098 -0.550 3.222) 4.504 18.411 ( -2.167 -0.403 -2.272) 3.165 18.580 ( 7.114 -1.752 2.952) 7.899 18.661 ( 2.238 0.402 7.039) 7.398 18.771 ( 0.105 1.204 -3.597) 3.794 19.032 ( 2.098 7.749 -6.308) 10.210 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 14.093 12.455 17.615) 25.769 1.660 ( 12.402 11.523 20.370) 26.486 2.454 ( -15.628 -6.557 -20.225) 26.388 2.548 ( -17.090 -8.884 -8.421) 21.022 2.808 ( 4.923 13.460 24.319) 28.228 3.197 ( 4.295 -0.849 -4.885) 6.560 3.360 ( 5.808 -1.483 -4.569) 7.537 3.472 ( -1.008 -3.771 -0.455) 3.930 3.510 ( -1.215 -1.287 -0.196) 1.781 3.532 ( 0.687 -4.435 3.221) 5.524 3.640 ( 2.608 -0.653 0.501) 2.735 3.648 ( -7.456 2.729 -4.003) 8.892 3.783 ( 7.176 2.155 -1.393) 7.621 3.842 ( -3.333 1.660 -2.357) 4.407 3.943 ( 2.604 3.383 -7.681) 8.787 4.070 ( 0.968 3.007 -6.600) 7.317 4.230 ( -3.953 -3.923 9.271) 10.815 4.312 ( -4.502 -1.892 7.718) 9.133 4.397 ( -1.309 0.531 7.569) 7.700 4.472 ( 2.074 -5.905 -4.593) 7.763 4.604 ( 2.002 2.794 -9.677) 10.269 4.753 ( 4.474 2.840 -4.804) 7.152 4.873 ( 2.898 0.743 -14.026) 14.342 4.928 ( 1.774 0.392 -5.949) 6.220 5.092 ( -2.822 -4.124 -10.923) 12.012 5.145 ( 6.410 2.035 4.227) 7.944 5.499 ( -3.025 3.490 -0.577) 4.654 5.530 ( -4.934 -0.279 15.768) 16.525 5.714 ( 5.209 3.325 -2.839) 6.801 5.977 ( -2.250 -3.840 8.289) 9.408 6.071 ( 4.123 3.948 -4.785) 7.448 6.159 ( -0.172 -4.308 -5.180) 6.740 6.285 ( -2.728 -7.166 6.784) 10.238 6.447 ( -3.244 -4.228 1.578) 5.558 6.971 ( 3.403 1.110 4.106) 5.447 7.227 ( -5.488 -5.700 -10.480) 13.132 8.351 ( 3.504 2.669 3.555) 5.660 8.522 ( -2.643 0.033 -11.148) 11.457 8.752 ( -0.789 5.950 5.248) 7.973 8.945 ( -3.583 -1.133 -3.491) 5.129 9.098 ( 4.560 7.497 -25.665) 27.123 9.194 ( 4.274 4.953 13.989) 15.443 9.782 ( -2.405 -4.335 8.440) 9.788 9.945 ( -6.086 -2.713 11.774) 13.528 10.188 ( 6.663 -4.674 13.365) 15.648 10.386 ( 4.424 -8.545 -0.367) 9.629 10.489 ( -7.579 4.656 3.135) 9.431 10.723 ( -8.284 -0.881 -7.674) 11.326 11.113 ( 6.768 1.000 2.877) 7.422 11.203 ( 2.500 -1.955 -1.905) 3.702 11.311 ( 3.089 1.439 -3.677) 5.013 11.405 ( -2.300 4.426 -0.222) 4.993 12.794 ( 3.198 2.928 11.822) 12.592 13.008 ( -3.099 -2.717 -15.853) 16.380 16.686 ( 2.258 3.954 2.387) 5.141 16.747 ( 1.631 3.099 -1.777) 3.927 16.960 ( -3.546 -1.880 -3.541) 5.352 17.077 ( -8.288 -1.376 8.206) 11.744 17.243 ( 6.583 3.741 6.799) 10.176 17.731 ( -11.605 -6.095 2.053) 13.268 18.268 ( 3.254 -0.273 2.351) 4.024 18.349 ( -1.936 0.082 -3.355) 3.875 18.665 ( 3.956 -2.067 0.950) 4.563 18.712 ( -0.416 -0.001 -0.995) 1.079 18.827 ( 5.834 2.277 4.907) 7.956 19.009 ( -0.763 2.657 -6.304) 6.884 ======================= Grid point 13 (9/65) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -17.443 -4.521 -24.806) 30.660 2.044 ( 8.383 7.724 6.900) 13.324 2.128 ( 8.259 5.122 13.099) 16.310 2.145 ( -7.688 -1.800 2.744) 8.359 3.085 ( -3.263 0.793 -0.686) 3.427 3.125 ( -7.685 2.357 0.279) 8.043 3.343 ( 4.019 -3.789 -5.121) 7.532 3.392 ( 3.994 -4.386 -0.335) 5.941 3.475 ( 1.285 -1.699 -3.369) 3.986 3.555 ( 0.370 2.732 -0.422) 2.789 3.600 ( 1.882 -0.374 1.408) 2.380 3.696 ( 0.102 2.357 3.511) 4.230 3.766 ( 2.073 0.951 -7.421) 7.763 3.893 ( 0.242 4.056 -6.034) 7.274 3.969 ( 0.097 4.131 3.090) 5.159 4.096 ( 5.841 -2.111 1.272) 6.339 4.194 ( -10.507 -5.487 -0.916) 11.888 4.278 ( 2.444 0.023 5.245) 5.786 4.430 ( -4.292 0.059 5.100) 6.666 4.483 ( 0.245 -1.082 -0.549) 1.238 4.526 ( 5.114 -1.261 -2.297) 5.747 4.716 ( 6.385 5.063 -17.440) 19.250 4.842 ( 0.493 0.975 -8.686) 8.755 4.894 ( 1.284 2.126 2.076) 3.237 5.038 ( 3.296 -2.312 9.439) 10.262 5.276 ( 6.283 4.918 -4.882) 9.354 5.468 ( -2.282 -0.139 -0.614) 2.367 5.666 ( -7.134 -5.071 26.647) 28.047 5.802 ( 4.759 4.527 1.687) 6.782 5.987 ( -0.929 -6.688 0.472) 6.768 6.022 ( -2.593 -4.610 4.092) 6.687 6.157 ( 7.161 5.911 -6.988) 11.621 6.304 ( -1.044 -7.870 7.944) 11.231 6.434 ( -5.036 0.184 9.530) 10.781 6.995 ( -3.064 -3.511 -14.665) 15.388 7.054 ( 5.128 2.183 -1.879) 5.882 8.315 ( 0.691 0.142 -15.184) 15.200 8.506 ( 4.083 4.060 5.193) 7.754 8.779 ( -0.097 1.286 -20.768) 20.808 8.830 ( -1.114 3.654 -4.400) 5.827 8.970 ( -4.011 4.882 1.228) 6.437 9.455 ( 8.293 4.050 8.278) 12.397 9.791 ( -5.670 -3.440 9.227) 11.363 9.950 ( -5.719 -6.286 10.223) 13.293 10.274 ( -2.662 -8.936 -5.522) 10.836 10.326 ( 2.463 -3.145 3.029) 5.013 10.495 ( -8.421 3.200 -5.568) 10.590 10.626 ( 3.605 1.424 11.193) 11.845 11.176 ( 0.239 -0.599 -3.359) 3.420 11.230 ( 4.263 -2.130 4.150) 6.320 11.317 ( 1.410 2.780 -3.248) 4.502 11.438 ( -1.340 2.940 4.286) 5.367 12.759 ( -3.295 -1.956 -17.641) 18.052 12.995 ( 5.097 2.936 10.301) 11.862 16.714 ( 1.175 2.256 -8.075) 8.466 16.746 ( 1.126 3.292 -3.909) 5.233 16.823 ( -5.714 -0.238 -6.622) 8.750 17.111 ( -5.279 -2.090 14.694) 15.752 17.473 ( 6.743 4.208 11.531) 14.005 17.566 ( -11.950 -5.236 4.304) 13.739 18.258 ( -0.042 -0.747 -6.190) 6.235 18.356 ( 1.209 0.955 3.731) 4.037 18.639 ( 0.384 -0.712 -5.440) 5.499 18.741 ( 1.535 -1.286 2.744) 3.397 18.908 ( -2.157 -0.008 -6.617) 6.959 18.985 ( 4.640 1.667 4.462) 6.649 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -17.849 -3.019 -24.512) 30.472 1.645 ( -23.397 -8.983 -9.250) 26.715 2.498 ( 14.942 8.433 9.452) 19.589 2.563 ( 12.207 6.660 13.846) 19.624 2.679 ( -27.018 -3.981 -8.380) 28.567 3.197 ( 4.608 1.602 -2.060) 5.296 3.316 ( 3.161 -7.289 -3.856) 8.831 3.418 ( 3.730 -0.470 -1.001) 3.890 3.461 ( 1.495 3.322 -2.110) 4.210 3.591 ( -0.699 -1.794 2.843) 3.433 3.615 ( -2.416 1.531 -0.604) 2.923 3.689 ( -0.041 -3.307 -4.328) 5.446 3.782 ( 1.838 4.364 3.142) 5.682 3.871 ( 2.974 5.565 -7.421) 9.741 3.989 ( -4.420 -2.638 1.604) 5.392 4.028 ( -0.665 -2.529 -0.290) 2.631 4.173 ( 3.855 3.845 0.035) 5.445 4.299 ( -0.407 -2.029 -1.809) 2.748 4.338 ( 7.473 2.042 -17.531) 19.166 4.537 ( 3.014 -5.439 -5.070) 8.024 4.654 ( -0.990 -1.060 14.582) 14.654 4.755 ( 4.599 2.204 3.289) 6.069 4.770 ( 0.266 3.707 7.388) 8.270 5.001 ( 1.116 3.760 5.506) 6.760 5.213 ( 7.449 -0.964 6.420) 9.881 5.296 ( 2.243 0.739 -1.137) 2.621 5.434 ( 0.550 4.346 -4.287) 6.129 5.778 ( -1.805 0.230 0.089) 1.822 5.910 ( -4.230 -8.473 14.141) 17.019 5.963 ( 5.310 2.846 6.597) 8.934 6.074 ( -5.045 -4.806 16.935) 18.313 6.242 ( 9.319 3.665 -4.009) 10.786 6.303 ( -1.681 -6.167 5.835) 8.654 6.494 ( -5.880 2.201 10.363) 12.117 6.772 ( -0.936 -2.821 -16.282) 16.551 7.085 ( 6.383 3.166 -10.433) 12.633 8.190 ( 4.471 -2.077 -11.634) 12.635 8.540 ( -3.385 0.584 -14.408) 14.811 8.642 ( 3.549 4.342 -9.636) 11.149 8.732 ( -2.444 6.591 -0.924) 7.090 9.049 ( -1.661 2.408 9.195) 9.649 9.577 ( 6.182 1.256 -6.628) 9.150 9.842 ( -5.032 -5.625 11.910) 14.100 9.942 ( -5.179 -1.019 12.176) 13.271 10.035 ( -7.347 -8.093 -8.008) 13.550 10.357 ( 3.065 -3.307 -1.763) 4.841 10.421 ( -4.245 5.913 1.684) 7.471 10.811 ( 5.872 -1.643 7.777) 9.883 11.125 ( -2.981 0.884 -2.322) 3.881 11.266 ( 1.166 -2.519 -1.284) 3.058 11.320 ( -2.046 -1.796 3.414) 4.366 11.508 ( 0.428 3.849 5.116) 6.417 12.515 ( -2.472 -0.595 -17.076) 17.265 13.190 ( 5.892 2.332 7.782) 10.036 16.609 ( -2.790 -0.146 -9.832) 10.221 16.681 ( -2.089 0.235 -7.021) 7.329 16.710 ( -2.775 1.821 -5.976) 6.835 17.208 ( -2.703 0.038 12.584) 12.871 17.432 ( -10.679 -4.046 5.354) 12.612 17.723 ( 5.810 3.788 12.016) 13.874 18.180 ( -0.193 -0.575 -6.160) 6.190 18.418 ( 0.854 1.031 3.080) 3.359 18.576 ( -0.238 -0.345 -4.892) 4.910 18.731 ( -1.211 -4.432 -4.920) 6.732 18.818 ( -1.677 0.914 -0.489) 1.972 19.100 ( 3.884 1.041 3.497) 5.329 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -18.398 -1.435 -18.643) 26.232 1.171 ( -26.062 -5.907 -6.842) 27.585 2.009 ( -41.085 -8.049 -11.046) 43.299 2.865 ( 16.105 4.738 5.923) 17.802 2.945 ( 10.370 9.225 10.888) 17.640 3.216 ( 2.814 -1.948 -3.979) 5.248 3.261 ( 6.388 -6.504 -4.633) 10.226 3.451 ( -0.233 3.201 0.696) 3.284 3.504 ( 1.388 3.192 -1.464) 3.776 3.517 ( -2.574 -1.846 -0.162) 3.172 3.630 ( -0.455 -2.917 -0.281) 2.966 3.636 ( -0.459 0.916 0.211) 1.046 3.800 ( -1.449 -0.008 -1.274) 1.929 3.888 ( -0.373 5.431 -4.289) 6.931 3.925 ( 0.595 -5.065 0.831) 5.167 4.061 ( -1.884 4.655 0.552) 5.052 4.194 ( -2.652 -3.996 -4.316) 6.452 4.283 ( 5.806 5.380 0.659) 7.943 4.374 ( 12.673 2.425 -6.365) 14.387 4.456 ( 3.485 -5.350 -6.070) 8.809 4.683 ( -0.156 -5.612 5.994) 8.213 4.869 ( 0.718 1.602 7.162) 7.374 4.989 ( -1.797 0.472 11.830) 11.975 5.114 ( 6.388 5.960 5.307) 10.223 5.292 ( 3.425 1.107 -0.187) 3.604 5.312 ( 0.097 -1.632 -0.628) 1.751 5.524 ( 6.653 -0.371 -0.619) 6.692 5.744 ( -1.594 9.725 2.352) 10.132 5.939 ( 0.366 -8.410 6.383) 10.564 6.130 ( -1.381 -1.533 12.048) 12.224 6.173 ( -4.610 3.014 12.543) 13.699 6.296 ( -1.529 -6.238 7.431) 9.822 6.379 ( 9.578 0.684 1.850) 9.779 6.530 ( -3.394 0.494 5.960) 6.877 6.582 ( -0.073 -1.527 -12.472) 12.566 7.017 ( 5.872 3.681 -22.267) 23.321 8.142 ( 7.379 -4.409 -6.562) 10.814 8.366 ( -6.338 1.801 -6.528) 9.275 8.491 ( -6.621 3.192 -9.700) 12.170 8.854 ( 6.161 4.398 0.744) 7.606 9.143 ( 0.251 1.558 6.858) 7.037 9.581 ( 4.189 1.725 -5.129) 6.844 9.722 ( -8.846 -3.163 -2.119) 9.630 9.839 ( -4.909 -5.930 -2.891) 8.223 10.114 ( -3.883 0.538 20.672) 21.040 10.352 ( 3.567 -1.257 -2.837) 4.728 10.453 ( 1.715 2.687 0.089) 3.189 10.908 ( 3.147 -2.549 2.282) 4.648 11.062 ( -5.867 1.522 -0.333) 6.070 11.217 ( -0.690 -3.642 -3.173) 4.879 11.290 ( -5.237 -2.378 2.490) 6.267 11.619 ( 3.460 3.662 4.315) 6.634 12.320 ( -2.113 0.255 -12.000) 12.188 13.347 ( 5.441 1.264 4.251) 7.019 16.449 ( -4.005 -0.773 -9.361) 10.211 16.577 ( -4.798 -1.643 -3.239) 6.018 16.614 ( -1.856 2.102 -7.119) 7.651 17.301 ( -1.475 2.090 6.434) 6.924 17.339 ( -7.465 -3.073 4.350) 9.170 17.935 ( 4.496 2.639 8.770) 10.202 18.116 ( 0.074 -0.489 -4.148) 4.177 18.460 ( -0.121 1.310 2.007) 2.399 18.525 ( -0.458 -0.223 -2.850) 2.895 18.596 ( -3.020 -4.317 -5.548) 7.651 18.824 ( 0.065 0.199 0.799) 0.826 19.180 ( 2.359 0.413 2.857) 3.728 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -19.670 0.000 0.000) 19.670 0.745 ( -28.108 0.000 0.000) 28.108 1.299 ( -48.269 0.000 0.000) 48.269 3.107 ( 7.626 -0.000 -0.000) 7.626 3.170 ( 10.904 -0.000 -0.000) 10.904 3.183 ( -0.351 0.000 0.000) 0.351 3.335 ( 12.983 -0.000 -0.000) 12.983 3.466 ( 0.854 -0.000 -0.000) 0.854 3.490 ( 0.318 -0.000 -0.000) 0.318 3.540 ( 1.492 -0.000 -0.000) 1.492 3.617 ( -1.652 0.000 0.000) 1.652 3.620 ( 0.213 -0.000 -0.000) 0.213 3.771 ( -1.290 0.000 0.000) 1.290 3.870 ( -0.162 0.000 0.000) 0.162 3.891 ( -3.919 0.000 0.000) 3.919 4.034 ( -8.111 0.000 0.000) 8.111 4.093 ( -2.529 0.000 0.000) 2.529 4.381 ( 1.518 -0.000 -0.000) 1.518 4.395 ( 3.534 -0.000 -0.000) 3.534 4.604 ( 18.235 -0.000 -0.000) 18.235 4.693 ( -1.590 0.000 0.000) 1.590 4.925 ( 0.320 -0.000 -0.000) 0.320 5.016 ( 0.995 -0.000 -0.000) 0.995 5.279 ( -1.137 0.000 0.000) 1.137 5.295 ( 0.162 -0.000 -0.000) 0.162 5.330 ( 4.118 -0.000 -0.000) 4.118 5.535 ( 4.264 -0.000 -0.000) 4.264 5.842 ( -3.162 0.000 0.000) 3.162 5.966 ( -0.277 0.000 0.000) 0.277 6.144 ( -2.655 0.000 0.000) 2.655 6.296 ( 6.336 -0.000 -0.000) 6.336 6.299 ( -0.099 0.000 0.000) 0.099 6.509 ( 1.940 -0.000 -0.000) 1.940 6.538 ( 9.532 -0.000 -0.000) 9.532 6.576 ( -1.104 0.000 0.000) 1.104 6.814 ( -3.742 0.000 0.000) 3.742 8.170 ( 3.750 -0.000 -0.000) 3.750 8.251 ( -5.052 0.000 0.000) 5.052 8.364 ( -5.566 0.000 0.000) 5.566 8.937 ( 4.091 -0.000 -0.000) 4.091 9.219 ( 2.835 -0.000 -0.000) 2.835 9.557 ( -4.346 0.000 0.000) 4.346 9.651 ( 0.879 -0.000 -0.000) 0.879 9.738 ( -3.430 0.000 0.000) 3.430 10.195 ( -7.036 0.000 0.000) 7.036 10.412 ( 9.759 -0.000 -0.000) 9.759 10.503 ( 4.087 -0.000 -0.000) 4.087 10.921 ( -1.101 0.000 0.000) 1.101 10.984 ( -6.705 0.000 0.000) 6.705 11.148 ( -2.476 0.000 0.000) 2.476 11.223 ( -4.275 0.000 0.000) 4.275 11.718 ( 4.726 -0.000 -0.000) 4.726 12.212 ( -3.257 0.000 0.000) 3.257 13.439 ( 4.044 -0.000 -0.000) 4.044 16.317 ( -4.468 0.000 0.000) 4.468 16.479 ( -5.126 0.000 0.000) 5.126 16.551 ( -1.885 0.000 0.000) 1.885 17.260 ( -5.432 0.000 0.000) 5.432 17.349 ( 0.380 -0.000 -0.000) 0.380 18.051 ( 3.067 -0.000 -0.000) 3.067 18.090 ( 0.138 -0.000 -0.000) 0.138 18.477 ( -0.741 0.000 0.000) 0.741 18.495 ( -1.651 0.000 0.000) 1.651 18.508 ( -0.929 0.000 0.000) 0.929 18.831 ( 0.078 -0.000 -0.000) 0.078 19.234 ( 2.037 -0.000 -0.000) 2.037 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.000 12.225 18.020) 21.776 1.493 ( -0.000 14.158 21.805) 25.998 2.640 ( -0.000 4.488 14.207) 14.899 2.866 ( 0.000 -5.913 -5.073) 7.791 2.873 ( -0.000 7.731 8.413) 11.426 3.035 ( 0.000 -5.982 -22.869) 23.638 3.178 ( 0.000 1.019 -5.285) 5.382 3.460 ( -0.000 -0.497 1.480) 1.561 3.507 ( 0.000 -3.469 -0.075) 3.470 3.550 ( 0.000 -5.062 -0.437) 5.081 3.556 ( -0.000 -2.335 0.579) 2.405 3.659 ( 0.000 2.226 -8.215) 8.511 3.866 ( 0.000 7.891 -2.716) 8.345 3.908 ( -0.000 1.510 1.052) 1.841 3.970 ( 0.000 -6.734 -0.142) 6.736 4.115 ( 0.000 5.802 -3.275) 6.663 4.213 ( -0.000 -0.444 9.569) 9.580 4.364 ( -0.000 0.702 14.457) 14.474 4.386 ( 0.000 -3.872 -12.728) 13.304 4.461 ( 0.000 -7.431 -1.194) 7.526 4.469 ( 0.000 4.609 -8.987) 10.101 4.678 ( 0.000 2.257 -8.474) 8.770 4.812 ( 0.000 4.033 -19.437) 19.851 4.980 ( -0.000 -4.513 1.453) 4.741 5.004 ( -0.000 2.544 7.039) 7.484 5.213 ( 0.000 -5.322 -8.152) 9.735 5.539 ( -0.000 2.682 7.239) 7.720 5.569 ( 0.000 7.389 -2.076) 7.675 5.597 ( 0.000 5.433 -3.187) 6.299 5.998 ( -0.000 9.004 2.347) 9.305 6.036 ( -0.000 -1.865 0.229) 1.879 6.196 ( -0.000 -16.638 8.540) 18.701 6.345 ( -0.000 -7.249 3.839) 8.203 6.456 ( 0.000 -7.156 -2.143) 7.470 6.921 ( -0.000 0.522 3.406) 3.446 7.314 ( 0.000 -8.182 -13.743) 15.995 8.300 ( -0.000 3.133 2.241) 3.852 8.566 ( 0.000 -0.330 -1.153) 1.199 8.843 ( 0.000 15.458 -21.495) 26.476 8.867 ( 0.000 1.048 -8.318) 8.383 9.086 ( -0.000 9.846 0.890) 9.886 9.125 ( -0.000 -0.015 6.215) 6.215 9.835 ( -0.000 -7.769 11.881) 14.196 10.038 ( -0.000 0.184 17.674) 17.675 10.088 ( -0.000 -4.753 14.612) 15.366 10.288 ( 0.000 -13.281 -4.911) 14.160 10.665 ( -0.000 4.284 5.577) 7.032 10.873 ( 0.000 1.005 -0.343) 1.062 10.953 ( 0.000 1.149 -1.603) 1.972 11.161 ( 0.000 -0.852 -0.787) 1.160 11.244 ( 0.000 -0.791 -5.138) 5.198 11.440 ( 0.000 4.913 -2.434) 5.483 12.751 ( -0.000 3.186 10.456) 10.930 13.050 ( 0.000 -2.819 -16.395) 16.635 16.657 ( -0.000 3.742 1.237) 3.941 16.724 ( -0.000 3.413 2.079) 3.996 17.027 ( 0.000 4.316 -7.135) 8.339 17.134 ( -0.000 -1.944 12.934) 13.079 17.215 ( -0.000 -1.555 3.250) 3.602 17.983 ( -0.000 -9.661 6.759) 11.791 18.163 ( 0.000 0.002 -0.824) 0.824 18.434 ( -0.000 -2.787 0.703) 2.875 18.505 ( 0.000 0.980 -0.576) 1.137 18.732 ( 0.000 1.779 -4.802) 5.121 18.737 ( -0.000 0.705 7.366) 7.400 19.017 ( 0.000 5.964 -5.378) 8.031 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 8.749 10.415 15.131) 20.346 1.867 ( 5.395 12.814 20.126) 24.461 2.379 ( -16.196 -3.780 -22.856) 28.267 2.628 ( -14.900 -6.800 -7.126) 17.861 2.871 ( 12.742 -3.835 -13.473) 18.937 3.175 ( 0.224 8.898 11.625) 14.641 3.212 ( 9.470 1.418 -2.657) 9.938 3.391 ( -1.164 -6.432 -5.798) 8.737 3.437 ( 1.226 -4.664 -5.128) 7.039 3.566 ( 1.292 5.744 -6.194) 8.545 3.587 ( -1.347 -1.387 3.742) 4.212 3.665 ( 2.498 -0.482 -2.725) 3.728 3.836 ( -8.045 -0.001 7.341) 10.891 3.902 ( 1.040 0.497 3.663) 3.840 3.909 ( 0.469 6.213 -2.167) 6.597 4.117 ( -6.932 5.119 4.509) 9.725 4.255 ( 4.001 -2.924 -15.459) 16.234 4.335 ( -3.710 -1.043 0.944) 3.968 4.374 ( 7.235 -2.722 3.006) 8.294 4.465 ( 0.180 -0.559 -0.406) 0.714 4.547 ( -0.811 -3.194 16.768) 17.089 4.587 ( 0.895 5.807 -15.825) 16.881 4.729 ( 6.599 2.608 -2.730) 7.603 4.911 ( -3.568 -1.913 -4.617) 6.141 5.090 ( -4.095 -4.485 2.227) 6.469 5.127 ( 3.537 3.156 1.558) 4.990 5.524 ( -2.300 2.053 -3.917) 4.984 5.642 ( 6.562 1.883 -0.667) 6.859 5.679 ( 2.615 4.897 2.615) 6.137 6.019 ( 2.363 6.046 -6.332) 9.068 6.083 ( -1.028 -2.805 8.295) 8.816 6.153 ( -7.275 -15.318 13.736) 21.824 6.342 ( -2.590 -7.626 6.033) 10.062 6.457 ( 3.424 -4.797 10.239) 11.814 6.954 ( 2.205 1.117 -1.040) 2.682 7.067 ( -1.806 -5.089 -18.477) 19.249 8.316 ( -1.199 1.790 -9.863) 10.096 8.423 ( 2.308 3.510 -14.314) 14.918 8.730 ( 1.596 15.808 -21.771) 26.952 8.874 ( -1.009 -2.413 6.888) 7.368 9.126 ( -5.382 5.082 3.232) 8.077 9.262 ( 5.257 5.051 6.060) 9.480 9.897 ( -1.970 -5.395 9.774) 11.337 10.068 ( -4.542 -10.593 2.569) 11.809 10.224 ( 3.149 -2.785 5.307) 6.771 10.247 ( 5.164 -9.184 9.097) 13.920 10.709 ( -9.567 4.410 8.990) 13.848 10.780 ( -9.405 -1.744 -2.197) 9.814 11.044 ( 9.514 -0.721 3.640) 10.212 11.155 ( 0.775 0.238 -0.771) 1.119 11.222 ( 4.647 3.652 -5.252) 7.907 11.472 ( -0.879 3.625 2.214) 4.337 12.823 ( -1.332 -2.385 -19.036) 19.231 12.894 ( 2.164 3.218 8.595) 9.429 16.675 ( 1.090 3.313 -4.146) 5.418 16.738 ( -0.226 3.356 -3.197) 4.641 16.959 ( -3.532 3.227 -6.205) 7.836 17.254 ( -3.854 -2.424 11.662) 12.519 17.327 ( 3.673 1.683 15.731) 16.241 17.898 ( -11.945 -6.565 6.756) 15.213 18.197 ( 5.148 -1.039 -2.466) 5.802 18.378 ( -3.567 0.119 0.354) 3.587 18.567 ( 6.173 -1.594 -1.199) 6.487 18.695 ( 0.949 2.087 -4.460) 5.014 18.837 ( 2.665 1.231 5.718) 6.428 18.978 ( -0.961 1.907 -5.926) 6.299 ======================= Grid point 21 (15/65) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -18.115 -1.474 -24.114) 30.196 2.063 ( 11.810 7.717 9.381) 16.943 2.243 ( -3.651 3.518 7.443) 9.005 2.288 ( -6.952 1.077 5.549) 8.960 2.933 ( 17.886 -1.716 -7.944) 19.646 3.220 ( 0.969 -1.768 -3.538) 4.072 3.235 ( -6.225 -5.552 -5.583) 10.037 3.338 ( 0.532 0.613 -2.420) 2.552 3.411 ( 4.189 2.463 1.083) 4.979 3.528 ( 1.636 5.222 -6.963) 8.856 3.602 ( 1.996 -1.946 -1.374) 3.107 3.609 ( 0.707 -2.862 3.474) 4.557 3.807 ( -3.177 -2.455 1.574) 4.312 3.907 ( -0.032 4.651 -2.968) 5.517 4.068 ( 5.860 -3.249 -16.159) 17.493 4.088 ( -6.957 -0.925 3.869) 8.014 4.118 ( -4.091 7.404 6.801) 10.854 4.324 ( -11.262 -2.744 0.432) 11.599 4.345 ( -1.452 -0.347 -4.626) 4.861 4.427 ( 5.536 2.006 -13.599) 14.819 4.543 ( 4.537 6.139 9.076) 11.860 4.732 ( 0.619 -2.965 15.870) 16.157 4.824 ( -0.722 0.231 4.015) 4.086 4.921 ( 6.731 2.674 5.814) 9.287 5.063 ( 1.193 -4.081 5.139) 6.670 5.182 ( 3.625 1.312 -3.996) 5.552 5.448 ( -1.372 1.197 -7.051) 7.282 5.693 ( 5.420 -1.087 -7.156) 9.043 5.823 ( 6.010 7.866 5.076) 11.125 6.020 ( 4.013 1.703 -4.797) 6.482 6.139 ( -1.284 -7.249 10.873) 13.131 6.150 ( -6.910 -8.782 19.998) 22.909 6.314 ( -0.268 -5.880 2.454) 6.377 6.625 ( -1.958 -0.311 18.116) 18.224 6.796 ( -1.022 -4.318 -19.440) 19.940 6.969 ( 2.925 1.482 -4.777) 5.794 8.081 ( 1.649 -0.127 -24.700) 24.756 8.442 ( 7.453 6.280 -9.076) 13.318 8.653 ( -3.212 11.888 -7.213) 14.271 8.876 ( -4.519 -1.543 1.178) 4.919 9.136 ( -4.347 3.827 4.482) 7.324 9.416 ( 4.861 2.609 2.536) 6.072 9.880 ( 1.000 -4.823 -1.518) 5.154 10.022 ( -2.580 -9.152 10.041) 13.829 10.241 ( -3.585 -3.316 0.011) 4.883 10.282 ( 1.583 -5.629 0.065) 5.848 10.649 ( -8.063 2.652 1.783) 8.673 10.724 ( -5.127 -0.903 9.188) 10.560 11.143 ( 3.743 -3.744 -0.070) 5.294 11.202 ( 1.782 5.082 0.816) 5.447 11.299 ( 4.144 0.904 5.464) 6.917 11.512 ( -0.687 2.603 2.669) 3.791 12.570 ( -1.567 -1.351 -19.616) 19.725 13.045 ( 4.531 2.563 6.534) 8.354 16.640 ( -0.328 2.026 -6.480) 6.798 16.714 ( -0.479 2.267 -4.415) 4.986 16.852 ( -6.108 1.989 -4.601) 7.902 17.324 ( -5.005 -2.056 13.565) 14.604 17.573 ( 4.968 2.461 14.336) 15.371 17.760 ( -13.225 -3.871 5.786) 14.945 18.177 ( 0.844 -0.896 -5.932) 6.059 18.392 ( 0.641 1.743 3.156) 3.662 18.573 ( 1.019 -0.829 -3.458) 3.700 18.699 ( 3.180 -0.096 -3.017) 4.385 18.877 ( -1.935 -0.023 -5.046) 5.404 18.966 ( 4.908 0.449 2.891) 5.714 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -18.858 -0.267 -16.131) 24.817 1.848 ( -25.055 -4.166 -3.288) 25.610 2.415 ( 16.774 4.529 4.233) 17.883 2.633 ( 9.113 7.944 12.425) 17.336 2.976 ( -24.455 -1.476 -0.675) 24.508 3.107 ( 9.233 1.746 -1.265) 9.481 3.146 ( 4.575 -7.903 -4.625) 10.237 3.276 ( 6.759 -3.776 -6.237) 9.942 3.474 ( 0.713 5.235 -0.630) 5.320 3.588 ( 3.692 1.896 -0.075) 4.150 3.598 ( 2.133 -3.669 -0.262) 4.252 3.675 ( -0.738 0.933 3.470) 3.668 3.799 ( 4.573 3.123 -1.043) 5.635 3.870 ( -4.128 0.456 -2.165) 4.683 3.976 ( 4.804 -7.469 -5.603) 10.500 4.000 ( 0.518 3.364 -6.108) 6.992 4.113 ( -7.065 0.524 -3.901) 8.088 4.160 ( -1.260 1.274 -0.626) 1.898 4.297 ( -1.188 6.212 -3.057) 7.025 4.410 ( 0.995 -6.726 -0.797) 6.846 4.707 ( -1.327 0.148 0.784) 1.548 4.862 ( 5.027 5.791 8.018) 11.095 4.927 ( -1.270 -0.547 15.017) 15.080 5.078 ( 3.773 0.758 7.001) 7.989 5.177 ( 1.550 -2.229 -0.167) 2.720 5.205 ( 11.586 -1.697 2.189) 11.913 5.368 ( 0.197 2.745 -7.360) 7.857 5.661 ( 5.061 -0.734 -5.804) 7.736 5.982 ( -2.236 7.045 3.874) 8.345 6.078 ( 8.253 0.246 -0.414) 8.267 6.208 ( 1.886 -3.241 9.263) 9.993 6.230 ( -3.234 -4.070 12.764) 13.782 6.307 ( 2.860 -7.655 3.707) 8.973 6.552 ( -0.338 -3.017 -14.990) 15.294 6.761 ( -8.872 2.336 13.715) 16.500 6.935 ( 0.919 1.811 -8.452) 8.693 7.886 ( 9.494 -2.832 -18.501) 20.987 8.479 ( 2.695 10.839 -7.628) 13.525 8.642 ( -5.577 -0.677 2.325) 6.080 8.791 ( -3.983 2.727 -2.296) 5.345 9.156 ( -0.786 0.155 2.074) 2.224 9.478 ( 2.821 0.148 -0.437) 2.859 9.883 ( 1.733 -1.647 -0.381) 2.421 9.982 ( -6.474 -6.547 2.757) 9.612 10.135 ( -5.453 0.461 -0.025) 5.473 10.275 ( 3.682 -3.487 0.456) 5.091 10.612 ( -10.303 4.639 4.463) 12.149 10.769 ( 4.779 -3.882 2.881) 6.798 11.162 ( 0.680 -2.048 2.334) 3.179 11.223 ( -0.602 3.362 -3.567) 4.938 11.400 ( -2.421 -1.989 8.472) 9.033 11.559 ( 1.217 2.133 1.981) 3.155 12.355 ( -0.549 -0.033 -14.167) 14.178 13.189 ( 6.054 1.383 3.691) 7.224 16.560 ( -3.314 0.611 -5.319) 6.296 16.661 ( -2.120 0.457 -3.177) 3.847 16.741 ( -6.425 1.187 -2.665) 7.056 17.377 ( -4.685 -0.776 8.712) 9.922 17.616 ( -12.567 -2.054 3.736) 13.271 17.800 ( 5.518 2.081 9.187) 10.918 18.113 ( 0.108 -0.339 -4.719) 4.732 18.456 ( 0.520 2.425 3.398) 4.207 18.537 ( -0.334 -0.158 -2.386) 2.415 18.655 ( -0.929 -3.081 -5.681) 6.529 18.819 ( 0.276 -0.134 -1.502) 1.533 19.068 ( 5.511 0.417 1.518) 5.731 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -19.865 0.000 0.000) 19.865 1.467 ( -26.916 0.000 0.000) 26.916 2.469 ( -38.279 0.000 0.000) 38.279 2.687 ( 17.980 -0.000 -0.000) 17.980 2.978 ( 11.503 -0.000 -0.000) 11.503 3.058 ( 2.997 -0.000 -0.000) 2.997 3.167 ( 0.614 -0.000 -0.000) 0.614 3.397 ( 11.016 -0.000 -0.000) 11.016 3.494 ( 0.131 -0.000 -0.000) 0.131 3.587 ( -5.372 0.000 0.000) 5.372 3.626 ( -2.189 0.000 0.000) 2.189 3.629 ( 1.960 -0.000 -0.000) 1.960 3.823 ( -2.574 0.000 0.000) 2.574 3.898 ( 0.484 -0.000 -0.000) 0.484 3.919 ( -0.035 0.000 0.000) 0.035 4.085 ( 11.785 -0.000 -0.000) 11.785 4.093 ( 8.583 -0.000 -0.000) 8.583 4.135 ( -1.361 0.000 0.000) 1.361 4.320 ( -0.023 0.000 0.000) 0.023 4.363 ( 1.185 -0.000 -0.000) 1.185 4.675 ( -1.014 0.000 0.000) 1.014 4.944 ( -1.302 0.000 0.000) 1.302 5.094 ( 7.408 -0.000 -0.000) 7.408 5.142 ( -6.144 0.000 0.000) 6.144 5.211 ( 5.234 -0.000 -0.000) 5.234 5.259 ( 5.272 -0.000 -0.000) 5.272 5.410 ( 7.633 -0.000 -0.000) 7.633 5.735 ( 9.604 -0.000 -0.000) 9.604 5.960 ( -5.656 0.000 0.000) 5.656 6.214 ( 11.340 -0.000 -0.000) 11.340 6.230 ( -2.608 0.000 0.000) 2.608 6.258 ( -2.486 0.000 0.000) 2.486 6.406 ( 5.629 -0.000 -0.000) 5.629 6.451 ( 1.754 -0.000 -0.000) 1.754 6.693 ( -12.847 0.000 0.000) 12.847 6.872 ( -0.753 0.000 0.000) 0.753 7.923 ( 12.668 -0.000 -0.000) 12.668 8.495 ( -11.417 0.000 0.000) 11.417 8.500 ( -2.488 0.000 0.000) 2.488 8.810 ( 3.824 -0.000 -0.000) 3.824 9.171 ( 1.010 -0.000 -0.000) 1.010 9.515 ( 3.396 -0.000 -0.000) 3.396 9.818 ( -8.574 0.000 0.000) 8.574 9.868 ( -6.338 0.000 0.000) 6.338 10.171 ( 6.877 -0.000 -0.000) 6.877 10.313 ( 2.094 -0.000 -0.000) 2.094 10.522 ( -8.917 0.000 0.000) 8.917 10.844 ( 5.905 -0.000 -0.000) 5.905 11.156 ( -5.695 0.000 0.000) 5.695 11.188 ( 0.131 -0.000 -0.000) 0.131 11.377 ( -5.982 0.000 0.000) 5.982 11.611 ( 3.073 -0.000 -0.000) 3.073 12.268 ( -0.672 0.000 0.000) 0.672 13.297 ( 6.309 -0.000 -0.000) 6.309 16.463 ( -5.856 0.000 0.000) 5.856 16.613 ( -2.544 0.000 0.000) 2.544 16.642 ( -6.673 0.000 0.000) 6.673 17.374 ( -2.864 0.000 0.000) 2.864 17.475 ( -10.790 0.000 0.000) 10.790 17.937 ( 5.415 -0.000 -0.000) 5.415 18.085 ( 0.191 -0.000 -0.000) 0.191 18.497 ( -0.572 0.000 0.000) 0.572 18.516 ( -0.567 0.000 0.000) 0.567 18.565 ( -2.430 0.000 0.000) 2.430 18.823 ( 0.680 -0.000 -0.000) 0.680 19.145 ( 4.702 -0.000 -0.000) 4.702 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.000 7.906 11.370) 13.849 2.140 ( -0.000 11.724 17.863) 21.367 2.321 ( 0.000 -1.440 -17.904) 17.962 2.371 ( 0.000 -3.897 -22.349) 22.686 2.738 ( 0.000 -3.620 -1.378) 3.874 3.086 ( 0.000 -1.356 -2.996) 3.289 3.242 ( 0.000 -1.891 -4.428) 4.815 3.307 ( 0.000 -3.618 -8.718) 9.439 3.343 ( -0.000 -1.251 1.206) 1.738 3.512 ( 0.000 6.276 -8.734) 10.755 3.625 ( -0.000 -3.326 3.936) 5.154 3.654 ( 0.000 1.463 -2.645) 3.023 3.828 ( 0.000 -7.273 -0.961) 7.336 3.904 ( 0.000 5.133 -2.030) 5.520 4.009 ( 0.000 -0.808 -4.388) 4.462 4.246 ( -0.000 2.766 1.678) 3.235 4.277 ( -0.000 8.874 14.990) 17.420 4.286 ( -0.000 8.789 -0.067) 8.789 4.344 ( 0.000 -4.804 -0.604) 4.842 4.439 ( 0.000 0.435 -11.837) 11.845 4.534 ( -0.000 1.111 8.021) 8.098 4.669 ( -0.000 -1.171 5.888) 6.003 4.781 ( -0.000 0.723 13.823) 13.842 4.863 ( -0.000 -3.524 0.703) 3.593 5.111 ( -0.000 -4.333 0.770) 4.401 5.129 ( 0.000 2.255 -1.454) 2.683 5.488 ( 0.000 1.850 -9.591) 9.768 5.581 ( 0.000 0.038 -0.957) 0.958 5.689 ( -0.000 3.117 0.909) 3.247 5.960 ( 0.000 3.944 -6.596) 7.685 6.156 ( -0.000 -2.931 7.325) 7.890 6.273 ( -0.000 -13.746 14.975) 20.328 6.330 ( 0.000 -4.154 -0.947) 4.261 6.621 ( -0.000 -3.772 26.617) 26.883 6.815 ( 0.000 -4.793 -20.630) 21.180 6.926 ( 0.000 0.888 -1.980) 2.170 8.096 ( 0.000 2.591 -32.436) 32.540 8.310 ( 0.000 4.385 -5.459) 7.002 8.696 ( 0.000 17.272 -8.418) 19.214 8.938 ( -0.000 -3.017 5.815) 6.551 9.193 ( 0.000 0.644 -2.204) 2.296 9.370 ( -0.000 6.941 10.729) 12.778 9.858 ( 0.000 -8.062 -8.804) 11.938 10.061 ( -0.000 -9.294 10.571) 14.076 10.227 ( -0.000 -5.136 7.099) 8.762 10.270 ( -0.000 -2.943 0.973) 3.100 10.859 ( -0.000 -0.107 3.748) 3.750 10.869 ( 0.000 -2.560 -3.007) 3.949 11.008 ( -0.000 -0.914 8.683) 8.731 11.160 ( 0.000 3.718 -3.580) 5.161 11.207 ( -0.000 4.166 10.538) 11.332 11.525 ( -0.000 2.479 2.027) 3.202 12.592 ( 0.000 -1.857 -20.744) 20.827 12.982 ( -0.000 2.694 5.844) 6.435 16.640 ( 0.000 2.304 -4.681) 5.218 16.722 ( 0.000 2.579 -3.712) 4.520 16.947 ( 0.000 3.507 -5.213) 6.283 17.401 ( -0.000 -2.141 13.022) 13.197 17.494 ( -0.000 1.032 15.767) 15.801 18.045 ( -0.000 -6.235 8.806) 10.790 18.094 ( 0.000 0.624 -5.435) 5.471 18.411 ( -0.000 -2.105 0.719) 2.224 18.506 ( 0.000 2.071 -0.340) 2.099 18.644 ( 0.000 3.550 -6.429) 7.344 18.888 ( -0.000 0.578 4.742) 4.777 18.915 ( 0.000 -1.058 -7.103) 7.182 ======================= Grid point 29 (19/65) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -18.526 -0.678 -14.473) 23.519 2.061 ( 6.925 4.187 4.755) 9.386 2.372 ( 1.754 -1.858 -6.087) 6.601 2.430 ( 4.782 8.913 13.326) 16.730 2.630 ( 2.591 -0.946 -3.078) 4.133 3.070 ( 2.914 -7.624 -5.911) 10.077 3.190 ( 0.030 -2.661 -5.968) 6.534 3.267 ( 11.206 2.999 -0.676) 11.620 3.360 ( 2.728 -0.466 -1.098) 2.977 3.477 ( 0.822 3.579 -5.300) 6.447 3.625 ( -3.721 1.322 3.080) 5.008 3.655 ( -0.519 -0.152 3.827) 3.866 3.780 ( 1.783 -6.555 -1.191) 6.897 3.861 ( -3.797 -5.219 -7.884) 10.189 3.918 ( -0.467 5.560 -2.826) 6.254 4.199 ( -4.882 0.701 -8.762) 10.055 4.278 ( -4.432 1.840 -1.460) 5.016 4.319 ( 0.244 2.345 2.136) 3.181 4.388 ( -4.167 1.986 5.884) 7.478 4.457 ( -10.512 -2.557 0.780) 10.847 4.641 ( 6.229 9.899 10.999) 16.056 4.784 ( 0.883 0.600 4.647) 4.768 4.838 ( 7.205 0.940 1.083) 7.346 4.969 ( 0.577 -0.926 8.191) 8.264 5.056 ( -1.275 -8.234 1.375) 8.445 5.128 ( 1.964 -0.897 -1.462) 2.608 5.423 ( -2.118 3.359 -0.566) 4.011 5.559 ( 2.601 -1.355 -4.466) 5.343 5.813 ( 9.988 3.634 2.619) 10.947 5.959 ( 2.794 3.655 -0.510) 4.629 6.177 ( -1.677 -4.578 2.644) 5.546 6.281 ( 0.290 -5.396 0.340) 5.414 6.300 ( -0.987 -3.227 1.662) 3.761 6.582 ( -1.298 -5.105 -10.822) 12.036 6.843 ( 0.294 0.419 6.801) 6.820 6.983 ( -1.806 -1.265 19.695) 19.818 7.745 ( 1.150 1.375 -31.889) 31.939 8.328 ( 5.027 4.681 -3.743) 7.823 8.759 ( -2.360 14.304 -0.298) 14.501 8.934 ( -4.344 -2.634 1.228) 5.226 9.145 ( 1.668 -4.950 -3.446) 6.257 9.498 ( -4.192 3.559 5.880) 8.051 9.755 ( 5.519 -2.909 -3.199) 7.011 10.105 ( -2.011 -4.222 6.124) 7.705 10.210 ( 0.535 -5.091 -2.298) 5.612 10.266 ( -0.978 -1.393 1.659) 2.377 10.739 ( -6.816 -0.995 0.061) 6.888 10.914 ( -6.316 1.806 4.132) 7.761 11.030 ( 5.300 -2.911 -1.700) 6.282 11.199 ( 3.991 2.994 -1.769) 5.294 11.418 ( 0.041 1.543 16.821) 16.892 11.555 ( -0.361 1.310 1.176) 1.797 12.359 ( 0.036 -0.989 -17.370) 17.398 13.066 ( 2.711 1.505 3.131) 4.407 16.606 ( -0.543 1.090 -3.160) 3.387 16.698 ( -0.767 1.359 -2.407) 2.869 16.895 ( -4.047 1.697 -2.686) 5.145 17.497 ( -3.120 -1.403 9.464) 10.063 17.669 ( 3.310 0.742 9.605) 10.186 17.950 ( -10.729 -1.253 1.484) 10.903 18.107 ( 0.730 -1.345 -1.802) 2.365 18.424 ( 2.005 0.434 2.388) 3.148 18.532 ( 0.803 0.142 -0.396) 0.906 18.627 ( 1.944 3.425 -3.807) 5.477 18.817 ( -0.084 -2.802 -6.069) 6.685 18.949 ( 2.524 0.292 2.322) 3.442 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -18.884 0.000 0.000) 18.884 2.138 ( -22.540 0.000 0.000) 22.540 2.246 ( 13.437 -0.000 -0.000) 13.437 2.644 ( 8.121 -0.000 -0.000) 8.121 2.856 ( 25.941 -0.000 -0.000) 25.941 3.006 ( 1.179 -0.000 -0.000) 1.179 3.139 ( -1.534 0.000 0.000) 1.534 3.287 ( -9.931 0.000 0.000) 9.931 3.475 ( 2.092 -0.000 -0.000) 2.092 3.496 ( 12.682 -0.000 -0.000) 12.682 3.602 ( -5.165 0.000 0.000) 5.165 3.697 ( 3.220 -0.000 -0.000) 3.220 3.748 ( -2.397 0.000 0.000) 2.397 3.771 ( 6.481 -0.000 -0.000) 6.481 3.916 ( -0.443 0.000 0.000) 0.443 4.070 ( -8.030 0.000 0.000) 8.030 4.202 ( -7.490 0.000 0.000) 7.490 4.236 ( -12.034 0.000 0.000) 12.034 4.356 ( -0.782 0.000 0.000) 0.782 4.383 ( -3.561 0.000 0.000) 3.561 4.748 ( -3.293 0.000 0.000) 3.293 4.899 ( 3.186 -0.000 -0.000) 3.186 4.971 ( 15.307 -0.000 -0.000) 15.307 5.026 ( 1.425 -0.000 -0.000) 1.425 5.063 ( 4.863 -0.000 -0.000) 4.863 5.118 ( 3.095 -0.000 -0.000) 3.095 5.398 ( -5.409 0.000 0.000) 5.409 5.581 ( 3.867 -0.000 -0.000) 3.867 5.959 ( 8.487 -0.000 -0.000) 8.487 6.104 ( -4.824 0.000 0.000) 4.824 6.118 ( 12.919 -0.000 -0.000) 12.919 6.258 ( 0.918 -0.000 -0.000) 0.918 6.290 ( 0.042 -0.000 -0.000) 0.042 6.477 ( -3.181 0.000 0.000) 3.181 6.866 ( 0.802 -0.000 -0.000) 0.802 7.061 ( -12.506 0.000 0.000) 12.506 7.599 ( 10.379 -0.000 -0.000) 10.379 8.411 ( 6.911 -0.000 -0.000) 6.911 8.793 ( -10.222 0.000 0.000) 10.222 8.818 ( -2.592 0.000 0.000) 2.592 9.133 ( 2.641 -0.000 -0.000) 2.641 9.481 ( -2.148 0.000 0.000) 2.148 9.838 ( 6.239 -0.000 -0.000) 6.239 10.044 ( -6.193 0.000 0.000) 6.193 10.212 ( -6.540 0.000 0.000) 6.540 10.217 ( 3.522 -0.000 -0.000) 3.522 10.708 ( 1.663 -0.000 -0.000) 1.663 10.813 ( -11.405 0.000 0.000) 11.405 11.102 ( 6.553 -0.000 -0.000) 6.553 11.235 ( 0.671 -0.000 -0.000) 0.671 11.504 ( -3.447 0.000 0.000) 3.447 11.564 ( 0.373 -0.000 -0.000) 0.373 12.255 ( 1.144 -0.000 -0.000) 1.144 13.140 ( 4.960 -0.000 -0.000) 4.960 16.573 ( -2.181 0.000 0.000) 2.181 16.672 ( -1.756 0.000 0.000) 1.756 16.816 ( -6.280 0.000 0.000) 6.280 17.491 ( -5.062 0.000 0.000) 5.062 17.787 ( 5.425 -0.000 -0.000) 5.425 17.799 ( -12.889 0.000 0.000) 12.889 18.083 ( -0.214 0.000 0.000) 0.214 18.485 ( 2.173 -0.000 -0.000) 2.173 18.528 ( -0.295 0.000 0.000) 0.295 18.615 ( -1.235 0.000 0.000) 1.235 18.787 ( 2.085 -0.000 -0.000) 2.085 19.010 ( 4.636 -0.000 -0.000) 4.636 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 -0.000 -0.000) 0.000 2.060 ( 0.000 -0.000 -0.000) 0.000 2.167 ( -0.000 0.000 0.000) 0.000 2.529 ( 0.000 -0.000 -0.000) 0.000 2.704 ( -0.000 0.000 0.000) 0.000 2.955 ( 0.000 -0.000 -0.000) 0.000 3.138 ( 0.000 -0.000 -0.000) 0.000 3.160 ( 0.000 -0.000 -0.000) 0.000 3.342 ( 0.000 -0.000 -0.000) 0.000 3.455 ( 0.000 -0.000 -0.000) 0.000 3.677 ( 0.000 -0.000 -0.000) 0.000 3.699 ( 0.000 -0.000 -0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 3.823 ( 0.000 -0.000 -0.000) 0.000 3.932 ( 0.000 -0.000 -0.000) 0.000 4.176 ( 0.000 -0.000 -0.000) 0.000 4.292 ( 0.000 -0.000 -0.000) 0.000 4.343 ( 0.000 -0.000 -0.000) 0.000 4.473 ( 0.000 -0.000 -0.000) 0.000 4.527 ( 0.000 -0.000 -0.000) 0.000 4.700 ( 0.000 -0.000 -0.000) 0.000 4.838 ( 0.000 -0.000 -0.000) 0.000 4.839 ( 0.000 -0.000 -0.000) 0.000 4.982 ( 0.000 -0.000 -0.000) 0.000 4.998 ( 0.000 -0.000 -0.000) 0.000 5.100 ( 0.000 -0.000 -0.000) 0.000 5.492 ( 0.000 -0.000 -0.000) 0.000 5.508 ( 0.000 -0.000 -0.000) 0.000 5.754 ( 0.000 -0.000 -0.000) 0.000 5.954 ( 0.000 -0.000 -0.000) 0.000 6.192 ( -0.000 0.000 0.000) 0.000 6.213 ( 0.000 -0.000 -0.000) 0.000 6.292 ( 0.000 -0.000 -0.000) 0.000 6.530 ( 0.000 -0.000 -0.000) 0.000 6.852 ( 0.000 -0.000 -0.000) 0.000 7.248 ( 0.000 -0.000 -0.000) 0.000 7.451 ( 0.000 -0.000 -0.000) 0.000 8.293 ( 0.000 -0.000 -0.000) 0.000 8.858 ( 0.000 -0.000 -0.000) 0.000 8.973 ( -0.000 0.000 0.000) 0.000 9.048 ( 0.000 -0.000 -0.000) 0.000 9.620 ( -0.000 0.000 0.000) 0.000 9.652 ( 0.000 -0.000 -0.000) 0.000 10.140 ( 0.000 -0.000 -0.000) 0.000 10.163 ( 0.000 -0.000 -0.000) 0.000 10.278 ( 0.000 -0.000 -0.000) 0.000 10.810 ( 0.000 -0.000 -0.000) 0.000 10.908 ( -0.000 0.000 0.000) 0.000 11.035 ( 0.000 -0.000 -0.000) 0.000 11.153 ( 0.000 -0.000 -0.000) 0.000 11.550 ( 0.000 -0.000 -0.000) 0.000 11.569 ( 0.000 -0.000 -0.000) 0.000 12.235 ( 0.000 -0.000 -0.000) 0.000 13.070 ( 0.000 -0.000 -0.000) 0.000 16.596 ( 0.000 -0.000 -0.000) 0.000 16.696 ( 0.000 -0.000 -0.000) 0.000 16.915 ( 0.000 -0.000 -0.000) 0.000 17.570 ( 0.000 -0.000 -0.000) 0.000 17.703 ( 0.000 -0.000 -0.000) 0.000 18.007 ( 0.000 -0.000 -0.000) 0.000 18.115 ( -0.000 0.000 0.000) 0.000 18.404 ( 0.000 -0.000 -0.000) 0.000 18.532 ( 0.000 -0.000 -0.000) 0.000 18.630 ( 0.000 -0.000 -0.000) 0.000 18.749 ( 0.000 -0.000 -0.000) 0.000 18.947 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.000 0.000 27.118) 27.118 0.916 ( -0.000 0.000 27.118) 27.118 1.898 ( -0.000 0.000 53.189) 53.189 3.029 ( 0.000 -0.000 -6.789) 6.789 3.029 ( 0.000 -0.000 -6.789) 6.789 3.262 ( 0.000 -0.000 -9.100) 9.100 3.262 ( 0.000 -0.000 -9.100) 9.100 3.473 ( 0.000 -0.000 -3.879) 3.879 3.554 ( -0.000 0.000 2.475) 2.475 3.678 ( 0.000 0.000 -3.133) 3.133 3.678 ( 0.000 -0.000 -3.133) 3.133 3.791 ( -0.000 -0.000 0.906) 0.906 3.791 ( 0.000 0.000 0.906) 0.906 3.918 ( -0.000 0.000 8.530) 8.530 3.918 ( -0.000 0.000 8.530) 8.530 3.958 ( 0.000 -0.000 -27.616) 27.616 4.029 ( -0.000 0.000 11.742) 11.742 4.254 ( -0.000 0.000 12.951) 12.951 4.552 ( -0.000 0.000 0.452) 0.452 4.552 ( 0.000 -0.000 0.452) 0.452 4.634 ( 0.000 -0.000 -11.379) 11.379 4.766 ( 0.000 -0.000 -15.304) 15.304 4.766 ( 0.000 -0.000 -15.304) 15.304 5.129 ( 0.000 -0.000 -9.379) 9.379 5.129 ( 0.000 -0.000 -9.379) 9.379 5.291 ( -0.000 0.000 6.964) 6.964 5.291 ( -0.000 0.000 6.964) 6.964 5.515 ( 0.000 -0.000 -5.861) 5.861 5.515 ( 0.000 -0.000 -5.861) 5.861 5.768 ( -0.000 0.000 3.089) 3.089 6.071 ( 0.000 -0.000 -0.433) 0.433 6.429 ( -0.000 0.000 1.417) 1.417 6.429 ( -0.000 0.000 1.417) 1.417 6.619 ( 0.000 -0.000 -4.245) 4.245 6.852 ( -0.000 0.000 7.805) 7.805 7.742 ( 0.000 -0.000 -18.699) 18.699 8.201 ( -0.000 0.000 4.485) 4.485 8.583 ( -0.000 0.000 8.785) 8.785 8.583 ( -0.000 0.000 8.785) 8.785 8.954 ( 0.000 -0.000 -14.495) 14.495 8.954 ( 0.000 -0.000 -14.495) 14.495 9.095 ( -0.000 0.000 5.063) 5.063 9.868 ( -0.000 0.000 24.663) 24.663 9.884 ( -0.000 0.000 10.309) 10.309 9.884 ( -0.000 0.000 10.309) 10.309 10.600 ( -0.000 -0.000 -0.271) 0.271 10.600 ( 0.000 0.000 -0.271) 0.271 10.828 ( -0.000 0.000 -1.296) 1.296 10.828 ( 0.000 -0.000 -1.296) 1.296 11.240 ( -0.000 0.000 2.695) 2.695 11.240 ( -0.000 0.000 2.695) 2.695 11.493 ( 0.000 -0.000 -17.958) 17.958 12.572 ( -0.000 0.000 11.768) 11.768 13.268 ( 0.000 -0.000 -13.343) 13.343 16.578 ( -0.000 0.000 7.231) 7.231 16.578 ( -0.000 0.000 7.231) 7.231 17.035 ( 0.000 -0.000 -7.488) 7.488 17.216 ( 0.000 -0.000 -2.716) 2.716 17.216 ( 0.000 -0.000 -2.716) 2.716 18.177 ( -0.000 0.000 2.448) 2.448 18.177 ( -0.000 0.000 2.448) 2.448 18.524 ( -0.000 0.000 2.950) 2.950 18.524 ( 0.000 0.000 2.950) 2.950 18.643 ( -0.000 0.000 7.037) 7.037 18.706 ( 0.000 -0.000 -2.704) 2.704 18.771 ( 0.000 -0.000 -4.046) 4.046 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 6.702 3.869 23.558) 24.796 1.314 ( 8.843 5.106 26.113) 28.039 2.512 ( 5.899 3.406 43.104) 43.639 2.817 ( -11.461 -6.617 -17.381) 21.846 2.890 ( -8.016 -4.628 -6.382) 11.243 3.149 ( 1.271 0.734 -5.680) 5.866 3.234 ( 6.329 3.654 -11.172) 13.350 3.452 ( 0.919 0.530 -0.240) 1.088 3.482 ( 3.183 1.838 -15.781) 16.203 3.598 ( 0.375 0.217 -1.577) 1.635 3.694 ( -1.406 -0.812 -2.544) 3.018 3.730 ( -0.139 -0.080 1.331) 1.340 3.759 ( -1.077 -0.622 -7.084) 7.193 3.793 ( -4.206 -2.429 4.691) 6.753 3.982 ( 0.208 0.120 5.242) 5.248 4.048 ( -4.916 -2.839 -1.698) 5.926 4.243 ( 7.978 4.606 9.365) 13.136 4.285 ( -2.814 -1.625 -7.175) 7.876 4.403 ( -1.930 -1.115 17.669) 17.809 4.566 ( 3.827 2.210 -10.755) 11.627 4.573 ( 0.237 0.137 -17.915) 17.917 4.654 ( 0.149 0.086 -9.650) 9.652 4.659 ( 6.714 3.876 -7.076) 10.496 5.016 ( -3.643 -2.104 -3.529) 5.491 5.038 ( 2.073 1.197 -4.230) 4.860 5.288 ( -6.860 -3.960 -2.698) 8.368 5.439 ( 0.300 0.173 3.370) 3.388 5.465 ( 4.264 2.462 9.253) 10.481 5.570 ( 6.308 3.642 -1.656) 7.469 5.835 ( 5.977 3.451 -1.727) 7.114 6.076 ( -1.430 -0.826 4.005) 4.332 6.393 ( -7.772 -4.487 3.794) 9.744 6.444 ( -3.210 -1.853 7.784) 8.621 6.548 ( -1.757 -1.015 -4.182) 4.649 6.916 ( 1.290 0.745 2.400) 2.824 7.438 ( -6.730 -3.886 -19.742) 21.216 8.274 ( 1.652 0.954 5.595) 5.911 8.547 ( -1.103 -0.637 -18.666) 18.709 8.625 ( 4.786 2.763 -5.708) 7.945 8.884 ( 3.671 2.119 -8.989) 9.938 8.940 ( 4.379 2.528 6.280) 8.063 9.133 ( -1.615 -0.932 5.077) 5.409 9.938 ( -5.055 -2.918 12.200) 13.524 10.021 ( -0.690 -0.398 11.868) 11.895 10.188 ( 1.247 0.720 27.057) 27.095 10.519 ( -3.782 -2.184 -2.085) 4.840 10.566 ( -5.094 -2.941 0.139) 5.883 10.778 ( -0.856 -0.494 -4.561) 4.667 10.936 ( 8.177 4.721 1.426) 9.549 11.229 ( -1.182 -0.682 1.572) 2.082 11.293 ( -0.192 -0.111 -15.818) 15.819 11.319 ( 2.272 1.312 3.460) 4.342 12.709 ( 1.880 1.085 10.293) 10.519 13.084 ( -1.586 -0.916 -17.045) 17.143 16.627 ( 0.157 0.091 3.867) 3.871 16.674 ( 2.158 1.246 1.772) 3.057 16.971 ( 1.767 1.020 -7.533) 7.804 17.199 ( -1.625 -0.938 6.728) 6.984 17.208 ( -3.502 -2.022 7.204) 8.262 18.064 ( -12.405 -7.162 3.802) 14.820 18.230 ( 2.082 1.202 2.202) 3.261 18.407 ( -5.848 -3.376 -1.464) 6.909 18.637 ( 4.217 2.435 3.215) 5.835 18.705 ( 0.273 0.158 -5.201) 5.211 18.733 ( 1.609 0.929 7.154) 7.391 18.834 ( 9.332 5.388 -5.470) 12.084 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 11.546 6.666 18.839) 23.079 1.776 ( 11.502 6.641 24.110) 27.526 2.314 ( -16.204 -9.355 -25.260) 31.435 2.603 ( -15.935 -9.200 -6.517) 19.520 2.953 ( 3.077 1.777 19.146) 19.473 3.143 ( 4.301 2.483 -5.063) 7.093 3.266 ( 9.547 5.512 -6.476) 12.786 3.405 ( 6.132 3.540 -15.813) 17.326 3.465 ( 1.173 0.677 -1.747) 2.210 3.575 ( -7.903 -4.563 -5.487) 10.648 3.668 ( 0.133 0.077 -6.769) 6.771 3.678 ( 0.179 0.103 8.122) 8.124 3.754 ( -3.970 -2.292 7.463) 8.758 3.826 ( -3.313 -1.913 -7.619) 8.525 3.831 ( 3.546 2.047 8.843) 9.745 4.042 ( 1.845 1.065 3.987) 4.521 4.299 ( -1.967 -1.135 2.178) 3.147 4.351 ( 4.992 2.882 -18.605) 19.478 4.454 ( -4.810 -2.777 6.268) 8.375 4.478 ( 6.226 3.595 -22.639) 23.753 4.573 ( -2.533 -1.462 -0.585) 2.983 4.582 ( -1.894 -1.093 20.163) 20.281 4.682 ( 8.403 4.851 -3.159) 10.204 4.915 ( -4.285 -2.474 -2.257) 5.439 5.101 ( 6.355 3.669 -1.459) 7.482 5.129 ( -5.045 -2.913 -1.605) 6.042 5.477 ( -0.262 -0.151 0.633) 0.702 5.612 ( 6.791 3.921 0.094) 7.842 5.690 ( 4.180 2.413 5.333) 7.193 5.911 ( 7.906 4.564 -6.356) 11.123 6.127 ( -1.431 -0.826 10.152) 10.285 6.274 ( -12.318 -7.112 8.762) 16.706 6.483 ( -2.595 -1.498 -0.608) 3.057 6.496 ( -4.749 -2.742 13.588) 14.652 6.958 ( 2.923 1.688 -1.697) 3.778 7.115 ( -4.362 -2.518 -20.296) 20.911 8.302 ( 0.366 0.211 -20.740) 20.745 8.377 ( 3.266 1.886 4.719) 6.041 8.551 ( 8.550 4.936 -27.924) 29.618 8.916 ( -0.102 -0.059 8.853) 8.854 9.004 ( -4.740 -2.737 2.254) 5.920 9.234 ( 6.667 3.849 6.127) 9.839 9.961 ( -5.839 -3.371 8.629) 10.951 10.122 ( -3.072 -1.773 12.263) 12.766 10.412 ( -3.805 -2.197 8.484) 9.555 10.456 ( -5.792 -3.344 -1.920) 6.958 10.535 ( 2.129 1.229 16.575) 16.757 10.631 ( -7.383 -4.262 -9.610) 12.846 11.120 ( 7.840 4.526 5.731) 10.714 11.150 ( 1.720 0.993 -10.258) 10.448 11.254 ( 1.787 1.032 -0.280) 2.083 11.389 ( 1.478 0.854 3.116) 3.553 12.841 ( -2.531 -1.461 -19.648) 19.864 12.868 ( 4.036 2.330 8.974) 10.112 16.667 ( 1.737 1.003 0.246) 2.021 16.677 ( 0.522 0.301 -4.313) 4.355 16.897 ( -1.405 -0.811 -6.816) 7.006 17.255 ( -5.120 -2.956 14.015) 15.211 17.337 ( 2.610 1.507 15.044) 15.343 17.884 ( -13.194 -7.617 4.788) 15.969 18.297 ( -2.748 -1.586 -5.296) 6.173 18.297 ( 2.693 1.555 2.215) 3.818 18.645 ( 0.076 0.044 -5.823) 5.824 18.724 ( 2.227 1.286 2.549) 3.620 18.861 ( 4.400 2.541 5.737) 7.663 18.876 ( 3.844 2.220 -7.466) 8.686 ======================= Grid point 79 (25/65) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -15.938 -9.202 -23.686) 29.996 2.039 ( 9.091 5.249 10.333) 14.729 2.228 ( -15.674 -9.049 -2.742) 18.305 2.238 ( 11.813 6.820 21.171) 25.185 3.102 ( 3.042 1.756 2.916) 4.565 3.152 ( -8.416 -4.859 0.398) 9.727 3.253 ( 4.063 2.346 -12.791) 13.624 3.400 ( 7.589 4.382 -1.115) 8.834 3.438 ( -2.185 -1.262 -4.625) 5.269 3.469 ( 2.833 1.635 -1.692) 3.683 3.635 ( 4.461 2.576 -6.866) 8.584 3.729 ( -1.573 -0.908 7.526) 7.742 3.738 ( -4.993 -2.883 3.301) 6.644 3.755 ( 0.281 0.162 -3.643) 3.658 3.981 ( 1.115 0.644 4.310) 4.498 4.153 ( 5.681 3.280 -4.183) 7.780 4.219 ( -8.028 -4.635 -0.661) 9.294 4.221 ( -2.389 -1.379 -6.894) 7.425 4.276 ( 3.894 2.248 -25.173) 25.572 4.482 ( 6.491 3.748 8.697) 11.481 4.531 ( -2.258 -1.304 1.733) 3.131 4.773 ( -3.857 -2.227 20.665) 21.140 4.853 ( -2.021 -1.167 -0.541) 2.396 4.870 ( 8.077 4.663 6.572) 11.409 5.119 ( 2.800 1.617 3.811) 4.998 5.176 ( 3.773 2.179 -1.002) 4.471 5.435 ( -1.093 -0.631 -5.402) 5.547 5.724 ( 5.818 3.359 -1.563) 6.898 5.767 ( 5.364 3.097 -6.347) 8.869 5.990 ( 9.411 5.434 -5.909) 12.370 6.215 ( -10.781 -6.224 18.293) 22.127 6.239 ( -2.182 -1.260 14.265) 14.486 6.445 ( -4.171 -2.408 4.508) 6.597 6.549 ( -4.983 -2.877 9.851) 11.409 6.845 ( -2.335 -1.348 -17.438) 17.645 6.967 ( 3.118 1.800 -6.778) 7.675 8.150 ( 3.568 2.060 -11.129) 11.867 8.323 ( 8.300 4.792 -32.734) 34.109 8.526 ( 4.263 2.461 5.700) 7.531 8.886 ( -9.118 -5.265 -0.136) 10.530 9.034 ( -0.211 -0.122 11.591) 11.594 9.410 ( 7.615 4.397 0.194) 8.795 9.945 ( -3.011 -1.738 4.818) 5.941 10.165 ( -8.548 -4.935 10.770) 14.608 10.330 ( -5.899 -3.406 -12.744) 14.450 10.363 ( -5.541 -3.199 -2.631) 6.917 10.420 ( -3.142 -1.814 5.759) 6.807 10.772 ( 1.823 1.053 16.586) 16.719 11.088 ( 2.012 1.162 -8.176) 8.500 11.281 ( 1.475 0.852 -0.451) 1.762 11.313 ( 3.590 2.073 9.529) 10.392 11.441 ( 1.192 0.688 2.423) 2.787 12.574 ( -2.377 -1.372 -19.945) 20.133 13.044 ( 5.635 3.253 7.144) 9.663 16.620 ( -0.660 -0.381 -5.428) 5.481 16.685 ( 1.172 0.676 -2.090) 2.490 16.780 ( -4.401 -2.541 -4.416) 6.732 17.322 ( -6.049 -3.492 14.939) 16.491 17.577 ( 4.588 2.649 15.283) 16.175 17.713 ( -12.249 -7.072 4.567) 14.863 18.194 ( -0.989 -0.571 -7.014) 7.106 18.368 ( 2.518 1.454 1.912) 3.480 18.583 ( -0.064 -0.037 -5.217) 5.217 18.778 ( 1.407 0.812 1.506) 2.216 18.816 ( -0.232 -0.134 -8.411) 8.415 18.997 ( 4.872 2.813 3.707) 6.737 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -16.348 -9.439 -13.670) 23.307 1.737 ( -23.090 -13.331 -4.876) 27.104 2.462 ( 15.069 8.700 8.481) 19.357 2.645 ( 9.499 5.484 15.687) 19.141 2.785 ( -26.492 -15.295 -1.441) 30.624 3.177 ( 3.303 1.907 1.193) 3.996 3.349 ( 3.791 2.189 -2.343) 4.965 3.352 ( 4.666 2.694 -5.220) 7.502 3.402 ( -1.846 -1.066 -1.688) 2.719 3.586 ( 6.766 3.906 0.482) 7.828 3.615 ( -1.335 -0.771 -5.099) 5.327 3.668 ( -2.847 -1.644 -0.123) 3.290 3.734 ( 3.315 1.914 -4.974) 6.276 3.807 ( 0.205 0.118 6.391) 6.395 3.999 ( -0.952 -0.550 -0.885) 1.411 4.052 ( -2.091 -1.207 -5.459) 5.969 4.141 ( 5.333 3.079 -6.708) 9.106 4.168 ( 2.065 1.192 -1.367) 2.748 4.178 ( 3.999 2.309 -9.390) 10.463 4.515 ( -2.067 -1.193 0.985) 2.582 4.788 ( 9.015 5.205 9.790) 14.290 4.810 ( -2.507 -1.447 0.442) 2.928 4.883 ( -1.863 -1.075 13.081) 13.257 5.065 ( 2.154 1.244 10.809) 11.091 5.213 ( 0.899 0.519 -0.492) 1.148 5.290 ( 9.431 5.445 5.978) 12.423 5.350 ( 0.091 0.052 -6.488) 6.488 5.681 ( 0.506 0.292 -9.397) 9.415 5.871 ( 8.038 4.641 0.111) 9.282 6.114 ( 10.777 6.222 -3.922) 13.048 6.251 ( -4.137 -2.389 8.059) 9.368 6.309 ( -6.439 -3.717 7.933) 10.872 6.438 ( -3.431 -1.981 6.113) 7.284 6.548 ( -0.598 -0.345 1.660) 1.798 6.660 ( -5.376 -3.104 -3.403) 7.079 6.914 ( 2.015 1.163 -10.221) 10.482 8.127 ( 8.666 5.003 -27.031) 28.824 8.182 ( 3.369 1.945 4.336) 5.825 8.680 ( 5.373 3.102 5.955) 8.600 8.703 ( -10.401 -6.005 -1.277) 12.078 9.149 ( -0.735 -0.424 10.246) 10.282 9.475 ( 3.601 2.079 -4.869) 6.403 9.992 ( -11.840 -6.836 -7.264) 15.482 10.013 ( 5.310 3.066 3.879) 7.255 10.079 ( -9.225 -5.326 -1.561) 10.766 10.379 ( 2.114 1.221 2.838) 3.744 10.413 ( -4.233 -2.444 3.658) 6.105 10.948 ( 0.582 0.336 10.814) 10.834 11.029 ( 1.072 0.619 -7.047) 7.155 11.286 ( -0.323 -0.187 -0.774) 0.860 11.395 ( -3.113 -1.797 2.817) 4.567 11.516 ( 2.763 1.595 5.298) 6.184 12.347 ( -1.072 -0.619 -13.661) 13.717 13.212 ( 6.052 3.494 4.272) 8.191 16.531 ( -3.107 -1.794 -4.828) 6.015 16.656 ( -1.671 -0.965 -2.452) 3.120 16.667 ( -4.656 -2.688 -0.628) 5.413 17.361 ( -5.375 -3.103 9.476) 11.327 17.561 ( -10.373 -5.989 3.712) 12.539 17.812 ( 4.701 2.714 11.564) 12.775 18.115 ( 0.240 0.138 -5.682) 5.688 18.422 ( 1.758 1.015 1.073) 2.297 18.533 ( -0.202 -0.116 -3.125) 3.133 18.697 ( -2.379 -1.374 -8.063) 8.518 18.809 ( 0.954 0.551 0.587) 1.249 19.107 ( 4.093 2.363 1.938) 5.108 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -17.479 -10.091 5.542) 20.930 1.282 ( -24.405 -14.090 -1.152) 28.204 2.174 ( -36.864 -21.283 -1.071) 42.580 2.794 ( 15.296 8.831 2.948) 17.907 2.974 ( 7.630 4.405 10.331) 13.577 3.233 ( 0.434 0.251 1.244) 1.341 3.293 ( 2.436 1.406 -5.425) 6.111 3.372 ( 1.296 0.748 0.221) 1.513 3.449 ( 1.307 0.755 -0.754) 1.687 3.533 ( -0.839 -0.484 -0.732) 1.214 3.647 ( -0.100 -0.058 -0.224) 0.252 3.665 ( 0.584 0.337 1.303) 1.467 3.752 ( 4.025 2.324 -3.198) 5.642 3.808 ( -3.230 -1.865 -0.148) 3.733 3.992 ( 0.335 0.193 -0.461) 0.601 4.029 ( -0.359 -0.207 2.960) 2.989 4.164 ( 1.651 0.953 -3.766) 4.221 4.230 ( 4.991 2.882 2.574) 6.312 4.261 ( 11.368 6.563 -1.009) 13.165 4.478 ( -2.264 -1.307 0.384) 2.642 4.782 ( 1.612 0.931 -3.813) 4.243 4.855 ( -0.722 -0.417 1.442) 1.666 5.048 ( -3.427 -1.979 -4.105) 5.702 5.156 ( 4.245 2.451 9.943) 11.085 5.266 ( 5.106 2.948 2.372) 6.355 5.307 ( 0.915 0.528 -2.435) 2.655 5.566 ( 13.406 7.740 5.465) 16.417 5.586 ( -1.701 -0.982 -4.545) 4.951 6.008 ( 4.892 2.825 0.926) 5.725 6.141 ( -2.477 -1.430 -12.445) 12.770 6.229 ( -2.446 -1.412 -0.653) 2.899 6.312 ( 10.080 5.819 -1.082) 11.689 6.459 ( 2.251 1.300 0.641) 2.678 6.526 ( 1.106 0.638 -15.863) 15.914 6.560 ( -10.397 -6.003 8.402) 14.653 6.876 ( -1.359 -0.785 9.417) 9.547 8.061 ( 8.368 4.831 -11.075) 14.698 8.297 ( -2.374 -1.371 9.866) 10.240 8.530 ( -8.664 -5.002 3.768) 10.691 8.832 ( 4.945 2.855 4.516) 7.280 9.230 ( -0.971 -0.561 6.770) 6.862 9.486 ( 4.412 2.547 -3.597) 6.236 9.734 ( -9.014 -5.204 -4.468) 11.327 9.914 ( -7.292 -4.210 -1.699) 8.589 10.180 ( 10.084 5.822 -0.034) 11.644 10.329 ( -5.779 -3.337 -4.578) 8.092 10.454 ( 1.671 0.965 4.109) 4.540 10.974 ( 0.464 0.268 -5.186) 5.214 11.027 ( -2.197 -1.268 6.078) 6.586 11.252 ( -2.191 -1.265 -1.209) 2.804 11.286 ( -5.512 -3.182 -6.786) 9.304 11.626 ( 3.642 2.103 3.907) 5.740 12.259 ( -1.219 -0.704 1.175) 1.833 13.340 ( 5.305 3.063 0.361) 6.136 16.422 ( -5.309 -3.065 0.375) 6.141 16.580 ( -4.505 -2.601 -0.611) 5.237 16.614 ( -3.525 -2.035 3.977) 5.691 17.336 ( -3.578 -2.066 -0.015) 4.132 17.439 ( -7.097 -4.097 2.046) 8.447 17.977 ( 3.862 2.230 3.885) 5.915 18.082 ( 0.567 0.328 -1.434) 1.576 18.453 ( 0.839 0.484 0.571) 1.125 18.510 ( -0.299 -0.173 -0.090) 0.357 18.570 ( -2.706 -1.563 -6.141) 6.890 18.826 ( 0.473 0.273 0.104) 0.556 19.183 ( 3.034 1.752 0.310) 3.517 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -15.940 -9.203 22.416) 29.004 0.892 ( -22.809 -13.169 7.466) 27.375 1.575 ( -37.163 -21.456 17.161) 46.217 3.033 ( 10.848 6.263 -4.529) 13.320 3.096 ( 3.053 1.763 -3.498) 4.966 3.253 ( 1.206 0.696 5.898) 6.061 3.336 ( 3.354 1.937 -2.144) 4.427 3.435 ( 2.303 1.330 -0.466) 2.700 3.449 ( 5.934 3.426 -1.579) 7.031 3.555 ( 1.479 0.854 1.745) 2.442 3.595 ( -4.556 -2.630 0.339) 5.272 3.722 ( 0.626 0.361 6.102) 6.145 3.760 ( -0.845 -0.488 -1.294) 1.621 3.809 ( 3.690 2.130 2.359) 4.870 3.956 ( -2.780 -1.605 -1.567) 3.572 4.051 ( -3.435 -1.983 5.817) 7.041 4.116 ( -4.357 -2.515 -0.712) 5.081 4.352 ( 4.352 2.513 3.598) 6.181 4.472 ( -1.738 -1.004 4.602) 5.021 4.482 ( 11.533 6.658 -0.847) 13.344 4.795 ( 7.674 4.431 -8.218) 12.085 4.832 ( -5.121 -2.957 -5.860) 8.325 4.855 ( 0.888 0.513 -9.875) 9.928 5.252 ( 1.610 0.929 -6.383) 6.648 5.299 ( 0.389 0.224 -2.646) 2.684 5.350 ( 1.044 0.603 2.560) 2.830 5.599 ( 0.422 0.244 9.201) 9.214 5.725 ( 1.749 1.010 -10.522) 10.714 5.983 ( -3.029 -1.749 -9.143) 9.790 5.990 ( 2.252 1.300 -26.619) 26.746 6.165 ( -3.297 -1.903 -1.621) 4.138 6.217 ( -0.415 -0.240 -16.288) 16.295 6.469 ( -3.719 -2.147 -0.855) 4.379 6.489 ( 9.674 5.585 -0.489) 11.181 6.569 ( 1.812 1.046 11.482) 11.671 7.144 ( 7.697 4.444 27.813) 29.199 8.164 ( 6.169 3.561 5.545) 9.027 8.252 ( -6.238 -3.602 0.926) 7.262 8.536 ( -6.996 -4.039 16.761) 18.606 8.946 ( 3.029 1.749 3.697) 5.090 9.253 ( -0.673 -0.388 -1.196) 1.426 9.567 ( 6.350 3.666 0.218) 7.336 9.599 ( -5.078 -2.932 2.927) 6.554 9.813 ( -4.172 -2.408 2.639) 5.492 10.011 ( -10.140 -5.854 -29.799) 32.016 10.363 ( 9.174 5.297 0.371) 10.600 10.522 ( 1.380 0.797 3.345) 3.705 10.929 ( -1.054 -0.609 -2.583) 2.856 11.001 ( -4.766 -2.751 0.060) 5.503 11.166 ( -1.611 -0.930 1.763) 2.563 11.196 ( -1.846 -1.066 -1.320) 2.507 11.707 ( 4.085 2.358 -3.209) 5.705 12.310 ( -2.389 -1.379 12.915) 13.206 13.399 ( 3.776 2.180 -4.213) 6.063 16.416 ( -1.863 -1.076 11.791) 11.986 16.507 ( -4.540 -2.621 2.711) 5.902 16.659 ( 0.026 0.015 14.124) 14.124 17.245 ( -3.460 -1.997 -4.380) 5.928 17.353 ( -2.187 -1.263 -3.389) 4.227 18.023 ( 2.444 1.411 -4.922) 5.674 18.097 ( 0.368 0.213 2.242) 2.282 18.470 ( 0.000 0.000 1.213) 1.213 18.475 ( -1.228 -0.709 -3.341) 3.630 18.527 ( -0.443 -0.256 3.392) 3.430 18.826 ( -0.041 -0.024 -0.907) 0.909 19.197 ( -0.315 -0.182 -4.646) 4.660 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.000 2.288 23.239) 23.351 1.600 ( -0.000 7.932 25.777) 26.970 2.671 ( 0.000 -8.435 -15.151) 17.341 2.814 ( 0.000 -3.793 -17.189) 17.602 2.955 ( 0.000 -8.347 -10.333) 13.283 2.957 ( -0.000 6.941 25.663) 26.585 3.112 ( 0.000 1.123 -3.715) 3.881 3.297 ( 0.000 13.662 -18.735) 23.187 3.494 ( -0.000 1.660 7.843) 8.017 3.511 ( 0.000 -3.427 -5.622) 6.584 3.661 ( 0.000 -10.653 -1.392) 10.744 3.683 ( 0.000 9.588 -2.997) 10.045 3.767 ( -0.000 -6.625 3.949) 7.713 3.911 ( -0.000 4.559 3.230) 5.587 4.038 ( 0.000 -7.572 -10.195) 12.699 4.048 ( -0.000 0.240 3.694) 3.702 4.256 ( 0.000 2.326 -16.672) 16.833 4.265 ( -0.000 8.644 1.299) 8.742 4.325 ( -0.000 0.115 9.983) 9.984 4.431 ( 0.000 0.777 -10.027) 10.057 4.572 ( -0.000 -1.407 1.593) 2.126 4.631 ( -0.000 -0.782 15.820) 15.840 4.665 ( 0.000 -2.212 -1.404) 2.620 4.974 ( 0.000 3.682 -2.424) 4.408 5.000 ( 0.000 -0.412 -3.493) 3.518 5.254 ( 0.000 -6.153 -5.820) 8.469 5.475 ( 0.000 6.437 -3.873) 7.512 5.510 ( -0.000 -0.188 3.325) 3.331 5.584 ( -0.000 2.144 6.550) 6.892 5.805 ( 0.000 8.099 -5.000) 9.518 6.137 ( -0.000 -1.221 6.520) 6.633 6.469 ( 0.000 -2.595 -4.984) 5.620 6.527 ( -0.000 -8.351 12.686) 15.188 6.541 ( -0.000 -4.525 14.419) 15.112 6.913 ( 0.000 1.124 -1.803) 2.125 7.187 ( 0.000 -3.718 -25.048) 25.322 8.306 ( 0.000 -0.150 -5.615) 5.617 8.349 ( 0.000 2.257 -26.340) 26.436 8.403 ( 0.000 8.851 -13.139) 15.843 8.923 ( -0.000 -1.473 9.916) 10.025 9.022 ( -0.000 5.620 6.685) 8.733 9.188 ( -0.000 -0.709 4.216) 4.275 10.046 ( -0.000 -5.446 7.461) 9.237 10.154 ( -0.000 2.052 8.957) 9.189 10.436 ( 0.000 -11.656 -2.617) 11.947 10.450 ( -0.000 -11.281 21.958) 24.686 10.658 ( -0.000 6.154 5.958) 8.566 10.812 ( -0.000 5.429 3.229) 6.317 10.901 ( -0.000 4.734 0.015) 4.734 11.122 ( 0.000 1.586 -14.041) 14.131 11.220 ( -0.000 -5.379 1.029) 5.476 11.372 ( -0.000 5.133 2.618) 5.763 12.811 ( -0.000 2.237 8.256) 8.553 12.877 ( 0.000 -1.316 -20.311) 20.353 16.641 ( 0.000 -0.613 -0.045) 0.615 16.682 ( 0.000 2.034 -1.046) 2.287 16.901 ( 0.000 2.449 -5.527) 6.046 17.315 ( -0.000 -1.527 14.897) 14.976 17.330 ( -0.000 -1.271 12.263) 12.328 18.157 ( 0.000 -1.838 -2.507) 3.109 18.182 ( -0.000 -5.093 3.443) 6.147 18.504 ( 0.000 -3.944 0.031) 3.944 18.504 ( 0.000 -4.151 0.487) 4.179 18.646 ( 0.000 0.929 -6.480) 6.546 18.802 ( -0.000 0.736 6.161) 6.205 18.825 ( 0.000 11.806 -3.891) 12.431 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 5.628 3.295 19.200) 20.277 1.978 ( 6.109 6.450 24.069) 25.656 2.210 ( -18.751 -7.868 -21.636) 29.692 2.645 ( -3.781 -7.254 -8.709) 11.948 2.830 ( 8.489 -7.355 -10.006) 15.043 3.136 ( 3.487 5.672 -2.330) 7.055 3.173 ( 2.687 4.739 4.676) 7.179 3.255 ( 3.229 10.655 -11.083) 15.710 3.417 ( 0.364 -1.832 -4.934) 5.275 3.533 ( -1.853 -11.030 -2.888) 11.551 3.574 ( 1.114 3.577 -5.297) 6.488 3.724 ( -0.959 -5.466 0.296) 5.558 3.840 ( -3.679 0.769 2.122) 4.316 3.914 ( 3.622 5.803 10.390) 12.440 3.945 ( -1.669 2.223 3.585) 4.536 4.075 ( -4.755 2.049 -1.042) 5.282 4.127 ( 2.544 -0.176 -3.386) 4.239 4.271 ( -3.663 1.592 -13.605) 14.179 4.375 ( -0.636 0.929 4.527) 4.665 4.486 ( 7.211 -1.785 5.334) 9.145 4.536 ( -5.380 -5.814 -0.407) 7.932 4.670 ( 5.091 6.051 3.036) 8.471 4.835 ( -0.589 -4.018 18.395) 18.838 4.920 ( -4.251 -3.009 0.080) 5.208 5.047 ( 5.156 6.097 -0.091) 7.985 5.128 ( -2.870 -0.305 -4.223) 5.115 5.475 ( -1.735 -2.027 -3.324) 4.262 5.550 ( 6.230 7.301 -2.507) 9.919 5.650 ( 3.482 0.108 -1.967) 4.001 5.825 ( 2.786 7.900 -5.977) 10.291 6.214 ( 1.754 -0.864 7.024) 7.291 6.379 ( -1.558 -1.610 -4.517) 5.042 6.562 ( -4.940 -12.609 13.026) 18.790 6.697 ( -3.219 -3.047 18.535) 19.057 6.887 ( -0.980 -1.921 -20.592) 20.705 6.909 ( 1.430 1.454 -2.506) 3.231 8.051 ( 1.716 0.907 -26.554) 26.625 8.178 ( 3.669 9.759 -22.541) 24.835 8.457 ( 1.156 3.456 5.320) 6.449 9.013 ( -0.986 -3.697 8.251) 9.095 9.107 ( -3.054 2.995 5.026) 6.600 9.257 ( 2.529 3.867 5.217) 6.969 10.018 ( -1.828 -6.059 -2.131) 6.678 10.236 ( -0.132 0.498 4.712) 4.740 10.344 ( 1.040 -12.431 1.196) 12.531 10.483 ( -1.171 -10.978 3.345) 11.536 10.684 ( -9.615 6.109 -1.180) 11.452 10.824 ( -7.529 0.647 10.746) 13.137 11.033 ( 2.504 5.734 -5.528) 8.349 11.133 ( 8.822 3.054 11.676) 14.949 11.207 ( 3.012 -3.563 1.176) 4.811 11.435 ( -0.164 4.614 1.954) 5.013 12.622 ( -1.073 -1.340 -21.780) 21.847 12.929 ( 2.549 2.946 6.433) 7.521 16.631 ( 0.214 -1.104 -1.188) 1.636 16.675 ( -0.572 1.538 -1.073) 1.961 16.863 ( -1.554 1.814 -3.376) 4.136 17.452 ( -2.887 -3.222 15.567) 16.157 17.499 ( 1.306 0.053 16.814) 16.865 18.023 ( -9.405 -3.906 -0.481) 10.195 18.219 ( 2.231 -4.551 -0.971) 5.160 18.353 ( -6.043 2.386 -1.398) 6.646 18.581 ( 0.322 -0.143 -4.596) 4.610 18.623 ( 9.992 -2.658 -2.418) 10.619 18.836 ( -1.121 5.875 -3.931) 7.157 18.889 ( 2.614 2.153 3.308) 4.734 ======================= Grid point 87 (31/65) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -18.318 -6.819 -12.415) 23.155 2.099 ( 8.059 3.547 13.159) 15.833 2.330 ( -9.643 -6.622 2.228) 11.908 2.392 ( 0.796 1.578 15.346) 15.447 2.901 ( 19.632 -3.766 -5.109) 20.633 3.192 ( 0.663 5.926 -0.796) 6.016 3.228 ( -1.831 1.501 -2.414) 3.381 3.300 ( 6.543 2.854 -2.867) 7.692 3.363 ( -0.032 -4.999 -5.114) 7.151 3.423 ( 2.562 0.130 -2.788) 3.789 3.568 ( 1.316 4.444 -2.303) 5.175 3.685 ( 0.365 -2.253 -1.153) 2.557 3.812 ( -2.238 0.347 2.154) 3.126 3.910 ( -7.653 -4.949 -0.143) 9.115 3.947 ( 3.471 -0.300 -9.287) 9.919 4.063 ( -1.634 2.688 1.602) 3.530 4.085 ( -6.589 5.213 -8.055) 11.639 4.219 ( -4.019 -3.247 4.848) 7.085 4.364 ( -11.860 -0.437 0.284) 11.872 4.486 ( 7.920 -1.495 8.177) 11.481 4.576 ( 2.009 -0.140 4.979) 5.371 4.809 ( 2.563 -1.223 0.902) 2.979 4.897 ( 6.953 6.768 2.252) 9.961 4.970 ( -1.185 -1.193 6.643) 6.853 5.098 ( 3.207 2.167 -2.435) 4.573 5.218 ( 1.905 -0.707 14.352) 14.495 5.367 ( -1.709 -1.977 -7.258) 7.715 5.626 ( 2.925 -0.850 -7.343) 7.949 5.697 ( 5.908 10.847 0.264) 12.354 5.877 ( 6.049 7.035 -4.517) 10.319 6.299 ( 1.735 -2.381 0.093) 2.947 6.327 ( 1.958 -0.476 0.304) 2.038 6.462 ( -0.611 -7.606 -7.770) 10.890 6.656 ( -4.999 -4.309 -7.069) 9.671 6.836 ( -2.865 -1.697 10.123) 10.657 6.915 ( -4.968 1.942 5.785) 7.869 7.828 ( 9.408 -2.551 -24.516) 26.382 8.149 ( 2.214 14.169 -4.029) 14.896 8.573 ( 2.569 2.425 6.805) 7.667 8.958 ( -7.675 -5.600 0.627) 9.522 9.172 ( -1.201 0.560 8.254) 8.360 9.388 ( 2.616 4.788 3.647) 6.563 9.913 ( 1.977 -4.966 -6.236) 8.213 10.219 ( -2.962 -3.108 -8.397) 9.431 10.295 ( -1.978 -9.198 8.830) 12.903 10.348 ( -5.653 -6.577 -4.384) 9.717 10.601 ( -8.798 6.514 2.483) 11.225 10.862 ( 1.365 -5.011 4.077) 6.603 11.069 ( -0.873 8.732 0.145) 8.777 11.213 ( 5.108 -4.589 -0.641) 6.897 11.416 ( 2.547 0.944 14.642) 14.892 11.477 ( -0.465 4.299 0.712) 4.383 12.372 ( -0.755 -0.641 -17.718) 17.746 13.061 ( 4.832 3.055 4.148) 7.063 16.601 ( -1.832 -1.522 -0.239) 2.394 16.673 ( -0.404 0.150 0.289) 0.519 16.806 ( -4.786 0.114 -0.484) 4.812 17.526 ( -5.812 -5.154 12.445) 14.671 17.702 ( 3.343 0.823 12.649) 13.109 17.859 ( -11.058 -3.984 0.616) 11.770 18.130 ( -2.047 -1.674 -5.946) 6.508 18.372 ( 1.513 4.024 1.282) 4.486 18.537 ( -0.099 0.640 -3.363) 3.425 18.673 ( 5.336 -2.602 -4.573) 7.494 18.805 ( -1.042 2.872 -3.363) 4.543 18.982 ( 4.577 1.429 2.140) 5.251 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -18.045 -7.158 5.030) 20.054 1.931 ( -24.087 -9.471 -0.878) 25.897 2.417 ( 13.060 3.004 7.364) 15.291 2.727 ( 8.935 2.176 15.443) 17.973 3.021 ( -16.542 -4.595 -0.786) 17.186 3.099 ( 5.280 -3.619 -2.542) 6.888 3.243 ( 7.137 -6.755 2.077) 10.044 3.292 ( 4.731 -4.817 -3.653) 7.676 3.351 ( 2.270 8.360 -1.158) 8.740 3.523 ( 5.976 5.925 -0.800) 8.453 3.602 ( 0.911 4.550 -1.714) 4.947 3.677 ( 1.654 3.435 -2.996) 4.848 3.719 ( -7.571 -2.396 -3.150) 8.544 3.840 ( 3.069 0.537 0.143) 3.119 3.938 ( 5.824 -0.395 -2.539) 6.366 4.005 ( -5.794 1.772 -0.625) 6.091 4.084 ( -0.117 -1.914 6.324) 6.608 4.183 ( -2.348 3.204 0.763) 4.045 4.206 ( -7.060 -1.762 0.723) 7.312 4.535 ( -1.363 -7.102 1.982) 7.498 4.755 ( 4.418 -2.666 3.120) 6.030 4.839 ( 2.538 4.776 2.613) 6.007 4.967 ( 0.386 5.321 -2.415) 5.856 5.097 ( 6.598 2.844 1.110) 7.270 5.184 ( 9.397 0.605 0.323) 9.422 5.239 ( 3.728 -4.208 -7.946) 9.734 5.326 ( -4.798 1.083 5.769) 7.581 5.601 ( 2.168 2.026 -2.850) 4.114 5.867 ( 4.239 9.815 2.341) 10.945 5.993 ( 8.966 6.721 -2.167) 11.413 6.258 ( -0.048 -1.663 -4.510) 4.807 6.293 ( -1.077 -2.960 -10.081) 10.561 6.383 ( 3.908 -0.652 -4.987) 6.369 6.473 ( -0.575 -1.985 -10.315) 10.520 6.877 ( -2.476 -0.719 7.501) 7.932 6.891 ( -9.312 -0.915 3.330) 9.932 7.773 ( 11.681 -0.715 -6.185) 13.237 8.331 ( 1.216 9.514 13.023) 16.174 8.697 ( 2.024 -0.762 5.710) 6.106 8.799 ( -8.692 -3.023 0.511) 9.217 9.231 ( 0.339 -4.250 5.322) 6.819 9.448 ( -0.519 2.826 0.206) 2.880 9.893 ( 4.702 -1.905 -3.537) 6.185 10.032 ( -5.159 -0.343 -7.965) 9.496 10.120 ( -9.550 -4.834 -3.850) 11.375 10.346 ( 3.290 -5.695 1.719) 6.797 10.569 ( -8.598 6.096 2.288) 10.786 10.864 ( 4.528 -5.794 -2.499) 7.767 11.128 ( -2.778 5.845 3.492) 7.354 11.231 ( 3.330 -4.103 -0.598) 5.318 11.441 ( -4.836 1.446 -4.243) 6.594 11.554 ( 1.707 1.293 2.600) 3.369 12.263 ( 0.763 0.373 -0.132) 0.859 13.184 ( 6.010 2.544 0.885) 6.587 16.559 ( -4.352 -2.233 2.691) 5.583 16.665 ( -1.914 -1.519 2.001) 3.158 16.742 ( -5.979 -1.150 3.123) 6.843 17.480 ( -6.868 -4.479 1.309) 8.303 17.687 ( -11.230 -4.608 0.190) 12.140 17.859 ( 4.861 0.514 4.106) 6.384 18.068 ( 0.245 1.035 -1.965) 2.235 18.439 ( 0.366 3.948 2.583) 4.732 18.517 ( -0.162 0.502 -0.716) 0.890 18.617 ( -0.327 -1.729 -6.652) 6.881 18.803 ( 1.134 0.818 -0.270) 1.424 19.071 ( 5.184 0.985 0.494) 5.300 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -18.014 -8.097 20.303) 28.324 1.544 ( -25.506 -7.589 2.900) 26.768 2.565 ( -33.653 -9.218 4.580) 35.192 2.672 ( 14.358 1.745 1.643) 14.557 3.013 ( 2.651 3.600 -0.278) 4.480 3.089 ( 11.265 -9.270 2.675) 14.832 3.234 ( 1.068 -5.569 2.209) 6.085 3.374 ( 4.916 3.255 -2.091) 6.256 3.465 ( 3.103 3.811 2.528) 5.527 3.545 ( -4.031 2.195 -3.103) 5.540 3.615 ( 1.760 1.681 -2.604) 3.564 3.656 ( 1.395 -0.613 2.982) 3.348 3.722 ( 2.214 6.571 -1.702) 7.140 3.869 ( -5.935 -0.453 0.289) 5.959 3.992 ( 6.517 7.437 0.059) 9.889 4.041 ( 3.320 -4.302 4.905) 7.321 4.128 ( 2.337 -1.097 4.609) 5.283 4.187 ( 1.627 0.714 2.433) 3.012 4.278 ( 2.634 4.566 8.300) 9.832 4.467 ( -0.149 -7.861 0.893) 7.913 4.712 ( -1.930 -4.479 -2.156) 5.333 4.856 ( -1.117 3.588 -8.998) 9.751 4.984 ( -0.771 1.955 -12.176) 12.356 5.091 ( 5.585 1.649 -4.858) 7.584 5.230 ( 5.658 -0.676 -2.754) 6.329 5.311 ( 5.178 -2.776 3.377) 6.777 5.440 ( 7.158 1.850 6.803) 10.047 5.661 ( 3.614 8.046 2.863) 9.273 5.909 ( -2.332 -0.101 -11.714) 11.944 6.021 ( -0.862 7.990 -17.512) 19.268 6.186 ( 9.244 3.657 -2.371) 10.220 6.214 ( 0.281 0.347 -4.531) 4.553 6.300 ( 0.416 -2.500 -17.132) 17.318 6.503 ( 2.382 2.296 13.030) 13.444 6.696 ( -9.804 -3.174 -8.133) 13.127 7.011 ( 3.795 -0.886 13.816) 14.355 7.957 ( 8.615 2.053 11.471) 14.492 8.472 ( -8.766 1.154 4.619) 9.975 8.676 ( -2.372 -5.523 14.474) 15.673 8.850 ( 2.502 -0.003 6.321) 6.798 9.232 ( 0.985 -6.550 0.298) 6.630 9.468 ( 1.595 5.184 -1.004) 5.516 9.797 ( -8.692 -1.752 -0.651) 8.891 9.920 ( -4.110 -4.764 -2.902) 6.929 10.059 ( 5.655 6.842 -7.608) 11.691 10.284 ( -2.317 -1.713 -9.459) 9.888 10.536 ( -4.704 0.256 4.900) 6.797 10.857 ( 5.400 -2.900 -3.955) 7.294 11.127 ( -3.503 0.008 -1.471) 3.799 11.224 ( -1.843 -0.916 1.732) 2.690 11.302 ( -4.866 1.896 -6.792) 8.567 11.601 ( 3.441 1.067 -1.751) 4.005 12.353 ( -0.557 -0.357 12.970) 12.987 13.266 ( 5.918 1.640 -3.327) 6.984 16.530 ( -5.604 -2.207 8.119) 10.109 16.645 ( -4.555 -1.723 3.897) 6.237 16.717 ( -4.101 -2.900 7.938) 9.394 17.346 ( -4.430 -1.520 -6.295) 7.846 17.496 ( -8.987 -4.634 -4.113) 10.915 17.915 ( 5.255 -0.958 -5.600) 7.739 18.093 ( 0.118 1.331 3.320) 3.578 18.488 ( -0.725 1.512 0.756) 1.840 18.509 ( -1.037 1.597 -1.869) 2.668 18.550 ( -1.392 0.211 1.996) 2.443 18.820 ( 0.584 0.352 -0.039) 0.683 19.138 ( 4.284 0.445 -1.004) 4.423 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -18.483 -6.980 21.438) 29.154 1.252 ( -22.853 -2.748 11.516) 25.738 2.193 ( -33.136 -6.187 23.534) 41.111 2.838 ( 13.566 -2.278 -5.546) 14.831 2.957 ( 6.662 -5.605 -9.860) 13.154 3.240 ( 5.069 0.090 -0.208) 5.075 3.292 ( 4.298 -1.946 7.886) 9.190 3.401 ( 0.228 5.161 -4.784) 7.041 3.468 ( -3.105 3.110 0.310) 4.405 3.540 ( 2.688 1.999 -0.708) 3.424 3.609 ( 0.207 -0.976 -1.746) 2.011 3.715 ( 2.345 -5.321 4.109) 7.120 3.786 ( -4.181 1.683 -1.363) 4.709 3.830 ( 5.335 4.731 5.260) 8.860 4.023 ( -4.605 0.185 1.081) 4.734 4.108 ( 0.088 2.593 1.588) 3.042 4.154 ( -0.830 -4.347 2.043) 4.874 4.324 ( 9.592 1.986 0.430) 9.805 4.410 ( -0.659 3.816 -1.052) 4.013 4.524 ( 4.134 -4.835 9.952) 11.811 4.603 ( 0.544 -2.664 -6.907) 7.423 4.731 ( -0.334 4.251 -10.017) 10.887 4.879 ( -0.435 2.668 -2.642) 3.780 5.117 ( 4.000 -0.662 -5.450) 6.793 5.217 ( 1.370 2.275 -12.494) 12.773 5.352 ( 2.893 -5.343 1.584) 6.279 5.567 ( 0.053 -0.260 -5.628) 5.635 5.664 ( -0.477 -0.313 -11.558) 11.572 5.817 ( -0.952 2.883 1.879) 3.571 5.897 ( -2.181 3.690 -14.916) 15.520 6.072 ( 3.827 1.984 -7.370) 8.538 6.161 ( -1.396 1.557 -4.755) 5.194 6.370 ( 9.010 1.621 -0.680) 9.180 6.469 ( -3.685 -0.225 -8.625) 9.382 6.713 ( 0.981 2.001 14.862) 15.028 7.246 ( 9.811 0.230 11.159) 14.861 8.218 ( 4.530 0.250 13.514) 14.255 8.367 ( -7.823 2.537 2.873) 8.712 8.793 ( -6.853 -7.249 19.858) 22.223 8.942 ( 5.233 -3.587 4.639) 7.859 9.138 ( 0.380 -8.026 -9.303) 12.292 9.570 ( 3.484 9.125 -0.665) 9.790 9.709 ( -4.672 -1.515 3.665) 6.129 9.809 ( -11.746 -0.825 -16.990) 20.671 9.889 ( -1.994 0.322 -0.654) 2.123 10.290 ( 7.179 6.885 -1.284) 10.030 10.544 ( -0.123 -4.902 4.253) 6.491 10.874 ( 4.101 -0.660 -2.739) 4.975 11.045 ( -4.319 1.287 -2.203) 5.016 11.215 ( -2.876 0.726 -2.103) 3.636 11.230 ( -2.421 1.991 3.743) 4.883 11.597 ( 2.463 -1.310 -7.010) 7.545 12.490 ( -2.183 -0.942 15.075) 15.261 13.283 ( 4.873 0.638 -8.070) 9.449 16.567 ( -3.925 -1.854 10.148) 11.037 16.621 ( -5.517 0.155 6.990) 8.907 16.794 ( 2.010 -3.203 14.078) 14.577 17.224 ( -2.135 0.826 -7.155) 7.512 17.301 ( -4.937 -4.803 -7.399) 10.109 17.883 ( 5.658 -3.001 -7.972) 10.226 18.147 ( -0.647 1.910 4.291) 4.741 18.441 ( -0.020 -0.642 -3.597) 3.654 18.535 ( -2.147 4.283 2.925) 5.613 18.594 ( -1.402 1.625 6.048) 6.417 18.814 ( -0.535 -0.135 -1.567) 1.661 19.149 ( 0.493 -0.746 -3.907) 4.008 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -0.823 15.530) 15.552 2.193 ( 0.000 -3.858 -8.099) 8.971 2.251 ( -0.000 3.540 18.637) 18.970 2.283 ( 0.000 -8.108 -9.596) 12.563 2.798 ( 0.000 -4.933 -0.615) 4.971 3.066 ( 0.000 1.056 -0.270) 1.090 3.196 ( 0.000 8.937 -9.179) 12.811 3.222 ( 0.000 0.491 -1.682) 1.752 3.340 ( 0.000 1.407 -5.446) 5.625 3.427 ( 0.000 -10.168 -2.223) 10.408 3.561 ( 0.000 5.848 -3.108) 6.622 3.681 ( 0.000 -2.474 -1.878) 3.106 3.811 ( 0.000 1.277 -4.940) 5.103 3.910 ( 0.000 -2.335 -5.578) 6.047 4.080 ( -0.000 -5.472 8.117) 9.789 4.097 ( 0.000 2.385 -2.021) 3.126 4.187 ( -0.000 8.263 -0.307) 8.269 4.323 ( -0.000 5.187 12.945) 13.945 4.375 ( -0.000 -2.845 4.891) 5.658 4.514 ( -0.000 -7.570 1.269) 7.675 4.568 ( -0.000 5.475 4.773) 7.264 4.701 ( -0.000 3.454 5.841) 6.786 4.826 ( 0.000 -5.609 -3.159) 6.438 5.026 ( 0.000 -2.394 -0.720) 2.499 5.031 ( 0.000 6.800 -3.505) 7.650 5.196 ( -0.000 -0.319 15.984) 15.987 5.406 ( 0.000 -2.996 -6.095) 6.792 5.529 ( 0.000 6.280 -2.086) 6.617 5.609 ( 0.000 3.454 -3.119) 4.654 5.806 ( 0.000 7.363 -4.537) 8.648 6.242 ( -0.000 -0.668 1.847) 1.964 6.313 ( 0.000 0.189 -6.237) 6.240 6.474 ( 0.000 -7.680 -15.611) 17.398 6.731 ( 0.000 -7.431 -5.146) 9.039 6.840 ( -0.000 -0.075 1.445) 1.447 7.026 ( -0.000 -0.514 23.935) 23.941 7.704 ( 0.000 0.546 -30.368) 30.373 8.101 ( 0.000 12.957 -4.535) 13.728 8.541 ( -0.000 3.583 6.477) 7.403 9.057 ( -0.000 -5.315 3.817) 6.544 9.193 ( -0.000 0.669 4.350) 4.401 9.365 ( -0.000 7.289 8.433) 11.146 9.885 ( 0.000 -9.299 -10.113) 13.739 10.242 ( 0.000 1.730 -4.271) 4.608 10.292 ( -0.000 -10.315 3.906) 11.030 10.440 ( -0.000 -12.037 2.838) 12.367 10.827 ( -0.000 7.429 1.728) 7.627 10.833 ( 0.000 0.682 -6.202) 6.240 11.062 ( -0.000 5.974 -0.118) 5.975 11.108 ( 0.000 -6.859 -0.221) 6.862 11.358 ( -0.000 2.721 22.908) 23.069 11.489 ( -0.000 4.614 0.868) 4.695 12.383 ( 0.000 -0.935 -19.692) 19.714 12.992 ( -0.000 2.931 4.022) 4.977 16.620 ( -0.000 -1.887 1.213) 2.243 16.684 ( -0.000 0.392 0.941) 1.020 16.875 ( -0.000 2.153 0.012) 2.153 17.608 ( -0.000 -5.416 13.873) 14.893 17.655 ( -0.000 -1.167 12.513) 12.567 18.023 ( 0.000 0.103 -6.724) 6.725 18.184 ( -0.000 -3.742 1.219) 3.936 18.447 ( 0.000 5.879 -4.271) 7.267 18.458 ( 0.000 -3.473 0.140) 3.476 18.542 ( 0.000 -0.219 -1.467) 1.483 18.827 ( 0.000 3.112 -5.512) 6.329 18.915 ( -0.000 1.109 2.305) 2.558 ======================= Grid point 95 (36/65) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -19.040 -6.012 3.053) 20.198 2.141 ( 6.044 -3.359 10.550) 12.614 2.389 ( 5.644 -4.551 2.009) 7.523 2.546 ( 7.043 0.684 17.043) 18.454 2.659 ( -3.218 -4.151 0.714) 5.301 3.120 ( 1.755 -7.986 -6.344) 10.349 3.166 ( 2.313 -0.289 -4.048) 4.671 3.229 ( 11.074 3.228 2.109) 11.726 3.337 ( -0.289 7.558 -1.720) 7.756 3.370 ( 0.698 -1.827 -0.556) 2.033 3.599 ( -0.103 6.679 1.398) 6.825 3.665 ( 0.284 0.276 -0.085) 0.405 3.770 ( 0.159 -0.385 -6.266) 6.280 3.806 ( 0.670 -0.554 -10.242) 10.279 4.002 ( -7.534 -8.460 6.420) 13.021 4.099 ( -2.063 0.090 3.014) 3.654 4.223 ( -3.952 6.687 0.394) 7.778 4.355 ( -5.429 -4.642 2.931) 7.721 4.503 ( 0.235 -2.007 9.019) 9.243 4.507 ( -12.200 -1.708 0.002) 12.318 4.615 ( 4.576 7.026 8.000) 11.589 4.787 ( 2.302 0.265 -1.292) 2.653 4.826 ( 6.754 2.167 0.048) 7.094 4.980 ( 1.915 1.327 -2.958) 3.765 5.046 ( 1.605 4.466 -4.284) 6.393 5.187 ( -0.217 -9.280 -7.639) 12.022 5.447 ( -2.700 1.559 8.500) 9.054 5.535 ( 2.208 -0.126 -2.547) 3.373 5.694 ( 7.868 10.837 -1.361) 13.461 5.845 ( 2.537 8.167 -1.534) 8.688 6.230 ( 0.800 -2.525 -3.881) 4.699 6.266 ( 1.394 0.560 -3.943) 4.220 6.288 ( 1.760 -1.857 -8.776) 9.142 6.562 ( -2.928 -4.397 -12.639) 13.699 6.857 ( 0.658 0.023 2.053) 2.156 7.142 ( -5.379 4.353 -10.417) 12.506 7.544 ( 4.409 -4.414 9.236) 11.146 8.243 ( 3.482 8.760 9.018) 13.045 8.662 ( 0.382 5.450 8.669) 10.247 9.005 ( -4.774 -5.223 -0.190) 7.079 9.228 ( 0.105 -4.963 4.518) 6.712 9.490 ( -2.685 4.983 4.940) 7.513 9.744 ( 4.683 -3.713 -7.305) 9.438 10.159 ( -3.004 -0.931 -7.597) 8.222 10.257 ( 1.800 -6.788 -1.338) 7.149 10.353 ( -3.860 -7.875 -0.070) 8.770 10.730 ( -5.353 1.458 -1.513) 5.750 10.891 ( -4.131 4.438 0.869) 6.125 11.065 ( 4.975 -4.418 -2.213) 7.012 11.146 ( 3.411 3.462 2.226) 5.346 11.518 ( -1.052 3.754 -0.940) 4.010 11.542 ( -0.497 0.155 4.383) 4.414 12.238 ( 0.745 0.289 -2.725) 2.839 13.060 ( 2.738 2.271 1.257) 3.773 16.626 ( -0.925 -2.753 3.983) 4.929 16.702 ( -0.886 -0.899 3.461) 3.683 16.881 ( -3.484 0.464 3.055) 4.657 17.636 ( -3.777 -7.265 2.676) 8.614 17.746 ( 2.767 -1.686 2.607) 4.159 17.951 ( -5.562 0.447 -0.093) 5.581 18.103 ( -3.922 -1.394 -4.607) 6.209 18.431 ( 0.039 3.113 3.302) 4.538 18.508 ( 1.826 3.732 -3.057) 5.158 18.564 ( 2.828 -1.153 1.342) 3.336 18.784 ( 0.192 0.350 -3.249) 3.273 18.953 ( 2.776 0.881 0.036) 2.912 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -17.550 -6.174 18.580) 26.293 2.189 ( -22.217 -5.358 1.653) 22.914 2.318 ( 11.023 -5.192 5.333) 13.300 2.744 ( 8.851 -7.700 6.253) 13.294 2.899 ( 21.074 -1.657 4.881) 21.695 2.994 ( 0.699 -2.580 -4.995) 5.665 3.164 ( -0.339 -1.492 1.795) 2.359 3.312 ( -6.382 -1.179 1.989) 6.788 3.415 ( 1.115 8.295 2.324) 8.686 3.482 ( 10.815 3.682 4.164) 12.159 3.584 ( -3.722 0.649 -7.183) 8.116 3.688 ( 0.940 4.196 1.436) 4.533 3.714 ( 1.228 -3.205 -4.437) 5.610 3.758 ( 4.555 3.333 0.330) 5.654 3.959 ( -4.437 -3.918 8.272) 10.172 4.105 ( -4.891 2.724 1.401) 5.771 4.225 ( -7.696 0.534 6.440) 10.050 4.288 ( -8.373 -0.442 2.548) 8.763 4.305 ( -6.749 -2.274 3.533) 7.950 4.492 ( -1.048 -8.193 -0.410) 8.270 4.757 ( -0.697 0.765 2.378) 2.593 4.844 ( 3.001 5.331 -7.273) 9.504 4.900 ( 6.750 3.811 -2.982) 8.305 4.971 ( 3.893 -4.447 -12.627) 13.942 5.046 ( 9.022 0.305 -2.711) 9.425 5.098 ( 2.165 0.870 -1.941) 3.035 5.443 ( -3.295 -1.189 4.418) 5.638 5.570 ( 3.168 1.615 1.726) 3.952 5.870 ( 8.701 10.580 -3.253) 14.080 5.943 ( 4.684 8.356 -3.396) 10.164 6.112 ( -3.004 -1.971 -14.690) 15.123 6.225 ( 0.070 2.989 -5.981) 6.687 6.246 ( 1.575 -2.914 -11.234) 11.712 6.468 ( -0.173 3.799 10.348) 11.024 6.852 ( -0.791 0.540 -20.035) 20.058 6.943 ( 0.934 0.771 1.136) 1.660 7.802 ( 1.883 -2.183 26.987) 27.140 8.475 ( 6.997 0.593 12.075) 13.968 8.785 ( -5.727 1.898 5.354) 8.067 8.895 ( -4.510 -1.527 5.585) 7.340 9.222 ( 0.458 -8.665 3.946) 9.532 9.464 ( -2.127 -0.208 -3.219) 3.863 9.795 ( 7.099 3.844 -3.401) 8.760 10.017 ( -6.021 -0.654 -4.645) 7.633 10.158 ( -4.745 -1.123 -5.423) 7.292 10.272 ( -0.166 -4.390 -2.048) 4.847 10.689 ( -0.848 1.702 -1.382) 2.351 10.810 ( -7.882 -1.320 -1.846) 8.202 11.096 ( 5.712 -1.795 -2.567) 6.515 11.244 ( 1.651 2.445 4.446) 5.336 11.413 ( -3.368 0.199 -13.040) 13.470 11.543 ( 0.808 1.989 -2.076) 2.986 12.344 ( 0.822 0.765 14.993) 15.035 13.119 ( 4.674 1.186 -2.273) 5.331 16.644 ( -2.393 -3.340 7.479) 8.533 16.723 ( -1.926 -2.214 5.864) 6.558 16.861 ( -5.931 -1.659 5.610) 8.330 17.487 ( -5.458 -4.911 -8.012) 10.867 17.749 ( 0.334 -1.867 -7.111) 7.360 17.804 ( -7.002 -2.040 -4.768) 8.713 18.088 ( 0.366 1.573 3.843) 4.169 18.472 ( 2.223 -0.545 -2.865) 3.667 18.538 ( -1.020 2.050 2.653) 3.505 18.588 ( -1.295 3.108 2.632) 4.274 18.791 ( 1.564 0.724 1.053) 2.020 19.002 ( 5.141 0.206 -1.351) 5.319 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -18.308 -5.831 24.780) 31.356 1.880 ( -24.258 -2.151 5.023) 24.865 2.455 ( 14.345 -7.178 -3.204) 16.358 2.698 ( 6.083 -14.659 -9.935) 18.724 3.018 ( -15.639 -1.789 6.212) 16.923 3.104 ( 2.756 4.829 6.157) 8.296 3.167 ( 8.189 -2.571 2.522) 8.947 3.304 ( 3.202 0.851 4.388) 5.498 3.493 ( 0.329 2.215 -2.369) 3.259 3.522 ( 1.949 3.562 -1.182) 4.229 3.610 ( -0.870 0.560 -2.380) 2.595 3.674 ( 4.672 -0.892 4.891) 6.822 3.798 ( -6.361 7.123 -1.111) 9.614 3.849 ( 12.198 -0.089 3.357) 12.652 3.968 ( -5.519 2.086 0.803) 5.955 4.107 ( -1.788 -1.149 4.238) 4.741 4.122 ( -3.195 -1.247 1.979) 3.960 4.299 ( -1.495 3.127 7.833) 8.565 4.339 ( 1.651 -7.996 6.015) 10.141 4.452 ( -0.621 -0.499 5.426) 5.484 4.698 ( -1.666 0.112 -18.156) 18.232 4.735 ( -1.428 -1.518 -1.584) 2.617 4.838 ( 3.084 -2.185 -5.927) 7.030 5.017 ( 4.318 0.447 -2.520) 5.020 5.064 ( 8.977 1.388 -9.929) 13.457 5.231 ( 6.101 1.403 6.009) 8.678 5.481 ( 1.589 -1.073 5.057) 5.408 5.715 ( 4.572 3.273 9.018) 10.628 5.785 ( -6.517 6.645 -25.090) 26.760 5.937 ( 1.055 9.208 -12.105) 15.246 6.043 ( 3.338 -3.018 -8.580) 9.688 6.119 ( 3.474 2.942 -4.486) 6.392 6.190 ( 1.047 3.804 -4.121) 5.705 6.591 ( -1.612 1.171 -19.131) 19.235 6.695 ( -0.010 3.322 17.895) 18.201 7.056 ( 5.451 -0.946 6.869) 8.820 8.106 ( 2.142 -0.378 23.648) 23.748 8.605 ( -6.048 -0.218 -1.180) 6.166 8.732 ( 4.648 -6.662 10.564) 13.326 8.971 ( -4.407 -6.575 14.273) 16.321 9.185 ( -3.213 -6.072 -1.711) 7.079 9.443 ( 4.655 4.337 -1.333) 6.500 9.838 ( 3.303 1.808 -5.998) 7.082 9.883 ( -4.923 -0.715 -5.097) 7.122 10.072 ( -8.179 4.392 -2.184) 9.537 10.202 ( 0.750 2.650 -5.220) 5.902 10.636 ( -7.331 -3.252 -0.746) 8.054 10.718 ( 5.372 -1.968 -3.960) 6.958 11.105 ( 0.365 1.566 -2.794) 3.224 11.262 ( -0.414 0.647 -8.204) 8.240 11.310 ( -1.703 0.942 4.909) 5.281 11.540 ( 1.636 0.476 -3.706) 4.079 12.533 ( -1.016 0.356 17.006) 17.040 13.142 ( 5.366 0.051 -6.564) 8.478 16.683 ( -3.552 -2.942 10.964) 11.895 16.750 ( -3.184 -2.513 8.116) 9.073 16.835 ( -4.907 -3.967 7.150) 9.536 17.279 ( -3.787 -2.957 -11.718) 12.665 17.539 ( -11.149 -0.476 -7.903) 13.674 17.728 ( 5.928 -3.136 -10.608) 12.550 18.160 ( -0.236 1.304 6.062) 6.205 18.433 ( 0.867 -0.941 -5.196) 5.351 18.570 ( -0.502 0.582 3.981) 4.054 18.643 ( -1.970 4.667 4.155) 6.552 18.827 ( -0.394 1.349 1.584) 2.117 19.055 ( 5.633 -0.444 -2.308) 6.104 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -20.972 -0.658 18.606) 28.043 1.678 ( -20.534 1.663 14.388) 25.128 2.516 ( 15.646 -9.277 -9.060) 20.321 2.564 ( 7.366 -10.702 -11.611) 17.425 2.841 ( -19.826 -5.787 16.028) 26.143 3.216 ( 0.898 4.591 -1.437) 4.893 3.296 ( 6.138 0.313 4.980) 7.910 3.392 ( 2.731 2.397 0.873) 3.737 3.483 ( 2.263 0.222 -1.790) 2.894 3.533 ( -0.108 0.626 -2.938) 3.006 3.592 ( -0.301 4.853 -0.337) 4.874 3.726 ( -3.598 -1.500 -0.098) 3.899 3.820 ( 4.836 -1.666 4.470) 6.793 3.871 ( -8.668 5.025 -1.894) 10.196 4.014 ( 7.690 -3.414 -2.922) 8.906 4.054 ( 0.005 -3.949 6.090) 7.258 4.203 ( 1.485 7.006 1.742) 7.371 4.248 ( -0.000 -3.467 -5.467) 6.473 4.401 ( -2.645 -0.130 -6.717) 7.221 4.509 ( -0.407 -1.748 -8.951) 9.129 4.598 ( 6.613 0.972 16.830) 18.109 4.714 ( -2.819 0.986 -0.243) 2.997 4.886 ( 2.563 0.067 7.692) 8.108 5.014 ( 3.621 -0.449 -10.765) 11.367 5.074 ( 4.045 2.330 -2.246) 5.180 5.305 ( -4.482 2.573 -6.200) 8.072 5.458 ( 2.012 0.485 -16.121) 16.253 5.551 ( 2.494 -5.019 0.695) 5.647 5.822 ( -4.049 4.042 -10.080) 11.590 5.887 ( -0.263 -0.312 1.215) 1.281 6.004 ( 7.422 4.038 7.085) 11.027 6.124 ( 0.558 5.673 -7.466) 9.393 6.290 ( 4.889 1.773 1.219) 5.342 6.388 ( -1.294 0.397 -10.664) 10.749 6.887 ( -1.278 3.159 12.086) 12.557 7.185 ( 7.883 -1.187 0.619) 7.996 8.331 ( -0.609 -1.611 12.065) 12.187 8.513 ( -3.602 3.390 1.460) 5.158 8.850 ( 2.824 -9.587 2.737) 10.363 8.994 ( -1.340 -5.624 -2.722) 6.390 9.052 ( -5.186 -6.435 15.688) 17.732 9.513 ( -1.156 2.983 -18.426) 18.702 9.693 ( -2.712 2.670 -2.975) 4.831 9.843 ( 0.750 -2.041 0.053) 2.175 10.015 ( -4.776 6.946 9.564) 12.748 10.268 ( 4.038 8.687 -0.780) 9.612 10.537 ( -1.975 -8.135 1.951) 8.596 10.745 ( 7.041 -2.092 -5.191) 8.995 11.096 ( -2.100 4.611 -0.010) 5.067 11.211 ( 0.084 1.495 -3.478) 3.786 11.329 ( -3.582 0.977 3.941) 5.414 11.496 ( 0.239 -2.602 -5.399) 5.998 12.687 ( -2.947 0.458 14.818) 15.115 13.109 ( 4.969 -0.828 -11.268) 12.343 16.717 ( -5.941 -1.995 7.482) 9.760 16.777 ( -4.973 -0.386 7.476) 8.988 16.866 ( 2.256 -5.183 9.553) 11.100 17.111 ( 1.322 -4.339 -9.545) 10.568 17.327 ( -10.249 2.258 -4.800) 11.540 17.681 ( 7.601 -4.954 -6.675) 11.264 18.226 ( -1.129 1.881 5.016) 5.475 18.385 ( 1.027 -0.601 -4.334) 4.494 18.617 ( -0.873 2.219 3.961) 4.623 18.692 ( -0.337 3.344 1.946) 3.884 18.830 ( -3.323 1.520 1.784) 4.067 19.074 ( 3.083 -1.278 -4.324) 5.463 ======================= Grid point 103 (40/65) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 -8.117 11.857) 14.369 2.155 ( 0.000 -2.898 12.748) 13.073 2.263 ( -0.000 -6.982 7.604) 10.323 2.640 ( 0.000 -7.540 7.843) 10.879 2.743 ( -0.000 -4.017 1.473) 4.278 2.964 ( 0.000 -4.651 -4.728) 6.632 3.144 ( 0.000 1.217 2.532) 2.809 3.172 ( 0.000 1.619 4.240) 4.538 3.362 ( 0.000 -1.166 1.353) 1.787 3.400 ( 0.000 7.749 2.019) 8.007 3.668 ( 0.000 -0.968 -3.925) 4.043 3.693 ( -0.000 2.424 -4.566) 5.169 3.699 ( 0.000 7.457 6.528) 9.910 3.709 ( 0.000 0.041 -5.873) 5.873 4.075 ( 0.000 -7.876 8.341) 11.472 4.162 ( 0.000 3.768 0.712) 3.835 4.281 ( 0.000 1.596 2.254) 2.762 4.388 ( 0.000 -3.639 6.642) 7.574 4.549 ( 0.000 -5.128 1.910) 5.473 4.568 ( 0.000 -4.469 -0.461) 4.493 4.697 ( 0.000 -1.290 -3.060) 3.321 4.765 ( 0.000 6.769 1.859) 7.020 4.793 ( 0.000 4.669 -7.853) 9.136 4.907 ( 0.000 2.372 -4.826) 5.378 5.005 ( 0.000 -8.399 -11.515) 14.253 5.060 ( 0.000 4.866 0.471) 4.888 5.506 ( 0.000 -1.899 0.960) 2.128 5.511 ( 0.000 1.229 1.360) 1.833 5.661 ( 0.000 7.953 -4.632) 9.204 5.876 ( 0.000 7.562 -0.911) 7.616 6.172 ( 0.000 -0.107 -5.371) 5.372 6.216 ( 0.000 1.590 -7.495) 7.662 6.224 ( 0.000 1.739 -7.155) 7.363 6.486 ( 0.000 3.781 4.744) 6.066 6.837 ( 0.000 1.512 -18.814) 18.875 6.928 ( 0.000 3.112 -11.830) 12.232 7.809 ( 0.000 -3.985 34.567) 34.796 8.351 ( 0.000 -0.671 9.288) 9.312 8.847 ( 0.000 9.526 13.541) 16.556 8.989 ( 0.000 -3.815 -2.628) 4.633 9.204 ( 0.000 -13.875 4.916) 14.721 9.588 ( -0.000 2.754 -2.340) 3.614 9.615 ( 0.000 2.251 -3.762) 4.384 10.119 ( 0.000 2.321 -3.722) 4.387 10.149 ( 0.000 -6.135 -6.425) 8.884 10.308 ( 0.000 -5.021 -2.727) 5.714 10.773 ( 0.000 3.066 -1.705) 3.508 10.934 ( -0.000 -3.734 -0.894) 3.840 10.999 ( 0.000 2.744 -1.566) 3.160 11.158 ( 0.000 1.793 2.994) 3.490 11.462 ( 0.000 -1.333 -15.482) 15.539 11.539 ( 0.000 2.879 -1.472) 3.234 12.330 ( 0.000 1.289 16.403) 16.454 13.052 ( 0.000 1.038 -1.767) 2.050 16.669 ( 0.000 -3.886 7.232) 8.210 16.749 ( 0.000 -2.470 6.032) 6.519 16.956 ( 0.000 -0.953 6.080) 6.154 17.570 ( 0.000 -5.951 -8.482) 10.361 17.678 ( 0.000 -2.309 -7.708) 8.047 18.037 ( 0.000 0.712 6.488) 6.527 18.045 ( -0.000 0.823 -10.555) 10.587 18.409 ( 0.000 -1.516 -1.068) 1.854 18.552 ( 0.000 0.254 2.455) 2.468 18.608 ( 0.000 5.253 5.078) 7.306 18.762 ( 0.000 0.263 1.493) 1.516 18.927 ( 0.000 0.756 -2.536) 2.647 ======================= Grid point 105 (41/65) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -13.213 -5.068 21.183) 25.475 2.154 ( 3.358 -11.199 0.704) 11.713 2.444 ( -7.947 -2.084 7.137) 10.883 2.533 ( 0.846 -18.053 -8.073) 19.794 2.714 ( 10.862 -3.316 9.279) 14.665 3.027 ( 2.868 6.058 5.354) 8.579 3.223 ( 0.472 2.963 6.969) 7.587 3.330 ( 10.279 -2.399 2.897) 10.946 3.379 ( 3.493 -0.451 2.115) 4.108 3.499 ( 0.792 7.090 2.633) 7.605 3.572 ( -3.905 1.729 -4.829) 6.446 3.638 ( -2.285 -1.125 -1.644) 3.032 3.713 ( 0.226 1.903 0.889) 2.113 3.859 ( 0.870 7.995 9.772) 12.656 4.073 ( -4.170 -2.890 5.583) 7.544 4.164 ( -1.640 0.618 -2.660) 3.185 4.307 ( -0.636 -0.909 2.174) 2.441 4.397 ( -9.430 -5.107 -3.072) 11.156 4.468 ( -6.579 -5.309 -0.094) 8.455 4.481 ( -2.944 -3.407 10.378) 11.313 4.641 ( 4.072 -1.691 -21.770) 22.212 4.666 ( 7.534 -3.811 -7.170) 11.077 4.819 ( 4.661 0.622 -5.591) 7.305 4.839 ( 0.612 -0.300 -0.834) 1.077 4.953 ( -1.889 5.323 0.171) 5.650 5.126 ( 1.722 3.046 4.188) 5.457 5.505 ( -2.216 -0.784 4.070) 4.700 5.603 ( 3.940 1.339 7.782) 8.825 5.720 ( 9.176 6.197 -7.811) 13.550 5.929 ( -0.897 6.768 -3.607) 7.722 6.013 ( -2.289 6.126 -17.491) 18.674 6.107 ( -0.712 0.131 -8.213) 8.245 6.198 ( -0.521 6.222 -5.602) 8.389 6.553 ( 2.503 4.537 -27.636) 28.117 6.696 ( 0.118 4.977 19.181) 19.816 6.953 ( 2.186 -0.258 3.313) 3.978 8.136 ( -3.238 -3.217 30.951) 31.286 8.465 ( 6.642 -5.235 8.303) 11.851 8.879 ( -5.979 -1.826 -3.572) 7.201 9.053 ( -1.516 -2.640 14.201) 14.523 9.185 ( 2.958 -7.992 7.251) 11.189 9.451 ( -5.048 -0.864 -9.318) 10.633 9.700 ( 5.357 6.836 -1.405) 8.798 9.996 ( -2.099 -3.556 -10.607) 11.382 10.137 ( 1.223 3.955 -1.020) 4.264 10.238 ( -1.304 -0.882 -3.947) 4.249 10.717 ( -6.425 1.063 -0.733) 6.554 10.864 ( -5.342 -1.553 -8.277) 9.973 11.010 ( 4.320 1.457 0.670) 4.608 11.243 ( 4.113 0.828 -1.582) 4.484 11.279 ( 0.523 -1.790 -7.457) 7.687 11.532 ( -0.483 1.696 -2.531) 3.085 12.548 ( -0.217 1.652 19.033) 19.106 13.033 ( 2.375 -0.294 -5.211) 5.734 16.727 ( -0.417 -4.977 9.816) 11.014 16.795 ( -0.724 -3.986 7.466) 8.494 16.989 ( -4.709 -2.925 7.604) 9.410 17.391 ( -3.185 -3.503 -12.624) 13.483 17.565 ( 4.195 -2.613 -13.168) 14.065 17.854 ( -9.866 2.156 -10.199) 14.353 18.139 ( 2.359 0.226 6.006) 6.456 18.398 ( 1.339 -0.395 -3.091) 3.392 18.562 ( 0.763 -1.738 1.773) 2.598 18.682 ( -0.886 2.026 3.962) 4.537 18.834 ( -0.125 4.050 6.041) 7.274 18.915 ( 3.606 0.020 -3.890) 5.304 ======================= Grid point 106 (42/65) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 10.730 -12.862 -6.582) 17.997 2.148 ( -17.127 -2.897 23.677) 29.366 2.256 ( -19.858 0.859 4.146) 20.304 2.333 ( 6.724 -18.028 -13.274) 23.376 3.024 ( 13.834 -0.397 9.673) 16.885 3.173 ( 1.833 7.383 5.167) 9.196 3.301 ( -5.421 -1.819 6.300) 8.508 3.364 ( -2.598 1.429 2.969) 4.196 3.413 ( 1.764 -3.976 -6.495) 7.817 3.493 ( 0.758 3.195 -6.450) 7.238 3.578 ( 3.878 2.389 4.519) 6.416 3.717 ( 0.913 6.660 0.972) 6.792 3.738 ( 2.706 -5.090 7.983) 9.847 3.948 ( -3.048 4.095 -0.804) 5.168 4.093 ( -4.180 7.188 -0.438) 8.326 4.098 ( -0.844 -6.478 -0.041) 6.533 4.134 ( -2.922 -6.355 -6.627) 9.635 4.323 ( -3.413 -1.519 -1.794) 4.145 4.423 ( 2.047 -2.241 -1.530) 3.399 4.463 ( -0.979 1.209 -1.933) 2.482 4.502 ( 2.163 -3.099 1.747) 4.164 4.762 ( 0.739 -3.342 14.149) 14.557 4.853 ( 6.651 -1.934 1.552) 7.098 4.876 ( 4.040 2.111 0.412) 4.577 4.926 ( -2.045 3.257 -6.438) 7.499 5.245 ( 6.689 0.186 3.260) 7.444 5.488 ( -3.630 2.366 -4.019) 5.910 5.647 ( -6.342 4.992 -18.143) 19.857 5.794 ( 5.902 2.095 -5.795) 8.532 5.822 ( 4.279 5.093 8.860) 11.079 5.956 ( -3.503 2.013 -9.402) 10.233 6.093 ( 2.547 6.135 -0.281) 6.648 6.175 ( 0.851 4.005 -2.014) 4.563 6.394 ( 3.398 4.904 -15.713) 16.808 6.926 ( -1.477 4.941 15.266) 16.113 7.021 ( 4.653 -0.628 0.433) 4.715 8.346 ( -2.138 -2.815 18.446) 18.782 8.572 ( 2.197 -5.255 -0.021) 5.696 8.806 ( -1.743 -1.307 7.699) 8.001 9.067 ( -3.813 -10.304 4.239) 11.776 9.195 ( -4.603 -8.931 5.030) 11.236 9.394 ( 5.974 2.313 -1.061) 6.493 9.790 ( 1.572 9.096 -4.634) 10.329 9.811 ( -3.383 -1.265 -10.500) 11.104 10.171 ( 0.965 2.688 -3.003) 4.144 10.181 ( -0.542 4.309 -2.259) 4.896 10.642 ( -2.590 -0.866 -1.967) 3.366 10.669 ( -7.297 -2.465 -4.351) 8.846 11.096 ( 4.266 2.434 0.559) 4.944 11.167 ( 0.693 0.716 -5.476) 5.566 11.355 ( 3.346 -1.826 4.884) 6.195 11.494 ( -1.207 0.321 -3.766) 3.968 12.750 ( -1.687 1.936 16.750) 16.946 12.988 ( 3.674 -1.340 -9.198) 9.995 16.800 ( -0.178 -5.696 10.884) 12.286 16.836 ( -0.046 -5.159 7.146) 8.814 16.953 ( -7.289 -3.526 4.847) 9.437 17.169 ( -5.051 -1.527 -13.684) 14.667 17.479 ( 7.005 -4.059 -10.113) 12.954 17.628 ( -11.293 3.226 -7.582) 13.980 18.233 ( 1.514 0.321 5.937) 6.135 18.360 ( 0.190 -0.055 -4.551) 4.556 18.607 ( 2.320 -0.321 3.510) 4.220 18.702 ( -1.180 1.744 -0.368) 2.137 18.910 ( -1.280 2.667 4.498) 5.383 18.940 ( 4.878 0.004 -2.615) 5.535 ======================= Grid point 107 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 14.971 -13.213 -11.429) 23.007 2.102 ( -18.928 6.358 11.429) 23.007 2.136 ( 9.918 -15.711 -18.441) 26.178 2.136 ( -18.565 0.734 18.441) 26.178 3.179 ( 1.225 -8.028 -6.103) 10.158 3.179 ( -7.565 -2.953 6.103) 10.158 3.306 ( 5.446 2.516 -5.600) 8.207 3.306 ( -0.544 5.974 5.600) 8.207 3.476 ( 1.546 3.420 -4.230) 5.655 3.476 ( 2.189 3.049 4.230) 5.655 3.675 ( 1.273 -0.846 -5.952) 6.145 3.675 ( -1.369 0.679 5.952) 6.145 3.876 ( -2.292 -0.506 -9.288) 9.580 3.876 ( 0.708 -2.238 9.288) 9.580 4.057 ( -2.242 3.758 -2.426) 5.003 4.057 ( 4.375 -0.062 2.426) 5.003 4.175 ( -5.018 0.895 -10.267) 11.463 4.175 ( 3.285 -3.898 10.267) 11.463 4.402 ( 0.058 -1.111 -4.915) 5.040 4.402 ( -0.991 -0.505 4.915) 5.040 4.731 ( -3.847 2.595 -13.826) 14.584 4.731 ( 4.171 -2.034 13.826) 14.584 4.887 ( 1.474 2.531 -1.739) 3.406 4.887 ( 1.455 2.541 1.739) 3.406 5.171 ( -4.713 5.881 -28.501) 29.481 5.171 ( 7.449 -1.141 28.501) 29.481 5.448 ( -0.327 -1.874 -9.587) 9.774 5.448 ( -1.459 -1.220 9.587) 9.774 5.844 ( -1.471 1.757 -3.794) 4.432 5.844 ( 2.257 -0.396 3.794) 4.432 6.067 ( 0.008 8.101 -11.684) 14.218 6.067 ( 7.012 4.058 11.684) 14.218 6.302 ( -2.702 3.534 -9.226) 10.242 6.302 ( 4.412 -0.573 9.226) 10.242 7.053 ( 5.608 -0.785 -6.660) 8.742 7.053 ( -3.484 4.465 6.660) 8.742 8.469 ( -0.521 -1.937 -10.208) 10.404 8.469 ( -1.417 -1.420 10.208) 10.404 8.888 ( -3.163 -4.460 -9.560) 11.013 8.888 ( -2.281 -4.969 9.560) 11.013 9.291 ( -3.482 -3.305 -23.874) 24.352 9.291 ( -1.121 -4.668 23.874) 24.352 9.768 ( 0.000 2.857 -6.422) 7.029 9.768 ( 2.474 1.429 6.422) 7.029 10.217 ( 7.119 2.726 -6.157) 9.799 10.217 ( -1.199 7.528 6.157) 9.799 10.582 ( 2.331 -4.998 -4.924) 7.394 10.582 ( -5.494 -0.480 4.924) 7.394 11.162 ( 3.473 1.695 -2.716) 4.723 11.162 ( -0.269 3.855 2.716) 4.723 11.418 ( -1.166 -1.851 -5.539) 5.955 11.418 ( -1.020 -1.935 5.539) 5.955 12.900 ( 3.858 -1.886 -13.566) 14.230 12.900 ( -3.562 2.398 13.566) 14.230 16.830 ( -1.618 -4.720 -3.142) 5.896 16.830 ( -3.279 -3.761 3.142) 5.896 16.948 ( -2.112 -2.184 -13.100) 13.447 16.948 ( -0.835 -2.921 13.100) 13.447 17.476 ( 7.019 -5.570 -2.657) 9.347 17.476 ( -8.334 3.294 2.657) 9.347 18.311 ( 1.062 0.017 -5.448) 5.551 18.311 ( -0.516 0.928 5.448) 5.551 18.680 ( 0.344 1.510 -4.197) 4.474 18.680 ( 1.136 1.053 4.197) 4.474 18.953 ( 4.784 -1.785 -5.216) 7.299 18.953 ( -3.938 3.251 5.216) 7.299 ======================= Grid point 114 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 -15.932 -6.640) 17.261 2.218 ( 0.000 -20.364 -12.859) 24.085 2.512 ( -0.000 -1.498 15.548) 15.620 2.610 ( -0.000 0.557 20.139) 20.147 2.751 ( -0.000 -1.997 7.407) 7.671 3.082 ( -0.000 4.953 5.534) 7.426 3.289 ( -0.000 -1.388 4.297) 4.516 3.332 ( -0.000 4.743 6.918) 8.388 3.337 ( 0.000 -2.681 -3.038) 4.052 3.501 ( 0.000 3.887 -6.198) 7.316 3.659 ( 0.000 2.171 -0.422) 2.212 3.684 ( -0.000 1.171 13.230) 13.281 3.734 ( -0.000 4.540 -0.185) 4.544 4.015 ( -0.000 4.127 4.433) 6.057 4.065 ( 0.000 -11.932 -2.335) 12.158 4.166 ( 0.000 5.742 -5.440) 7.910 4.213 ( 0.000 -3.842 -19.312) 19.691 4.339 ( -0.000 -2.231 3.970) 4.554 4.391 ( 0.000 -7.195 -1.738) 7.402 4.482 ( 0.000 1.451 -13.391) 13.469 4.515 ( -0.000 -4.026 2.618) 4.802 4.665 ( -0.000 -1.502 16.962) 17.028 4.706 ( 0.000 -1.263 -2.948) 3.207 4.900 ( -0.000 1.363 7.581) 7.703 5.024 ( 0.000 4.125 -0.875) 4.217 5.148 ( 0.000 -0.648 -0.611) 0.890 5.526 ( 0.000 4.360 -5.822) 7.273 5.637 ( -0.000 -1.958 9.497) 9.696 5.703 ( -0.000 1.701 4.048) 4.391 5.851 ( 0.000 12.787 -20.705) 24.335 6.012 ( 0.000 5.369 -6.112) 8.135 6.046 ( -0.000 2.081 3.652) 4.203 6.211 ( 0.000 8.772 -3.901) 9.600 6.278 ( 0.000 4.886 -21.371) 21.922 6.948 ( -0.000 5.958 16.706) 17.737 6.956 ( -0.000 -0.296 0.060) 0.302 8.433 ( -0.000 -6.553 4.613) 8.014 8.471 ( -0.000 -3.605 24.753) 25.014 8.853 ( 0.000 -0.504 -4.273) 4.303 9.127 ( -0.000 -16.812 15.625) 22.952 9.255 ( -0.000 0.206 8.966) 8.968 9.318 ( 0.000 -3.838 -14.132) 14.643 9.765 ( 0.000 12.974 -5.751) 14.192 9.859 ( 0.000 -0.710 -3.980) 4.043 10.098 ( 0.000 0.755 -6.332) 6.377 10.198 ( 0.000 0.604 -7.168) 7.193 10.777 ( 0.000 2.094 -6.030) 6.383 10.847 ( -0.000 3.879 3.366) 5.136 10.912 ( 0.000 -2.669 -9.085) 9.469 11.206 ( 0.000 -1.365 -0.676) 1.523 11.239 ( -0.000 -1.278 3.765) 3.976 11.518 ( 0.000 0.560 -2.239) 2.308 12.772 ( -0.000 2.652 17.539) 17.738 12.937 ( 0.000 -1.507 -8.118) 8.257 16.793 ( -0.000 -7.134 9.422) 11.818 16.838 ( -0.000 -5.453 5.529) 7.765 17.090 ( -0.000 -4.523 8.206) 9.370 17.260 ( 0.000 -1.351 -10.167) 10.256 17.342 ( 0.000 -2.643 -16.628) 16.836 17.838 ( 0.000 5.881 -10.560) 12.087 18.167 ( -0.000 -1.759 4.400) 4.738 18.376 ( 0.000 1.220 -1.059) 1.616 18.546 ( -0.000 -2.246 0.628) 2.332 18.737 ( -0.000 -0.720 4.136) 4.198 18.830 ( 0.000 -0.042 -6.420) 6.420 18.949 ( -0.000 4.537 6.730) 8.116 ======================= Grid point 115 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 7.252 -17.595 -9.813) 21.412 1.927 ( 4.563 -20.510 -16.538) 26.739 2.567 ( -12.180 0.161 14.390) 18.853 2.609 ( -15.777 4.483 6.727) 17.727 3.004 ( 7.520 -0.561 13.106) 15.121 3.165 ( 2.190 -9.387 -14.791) 17.654 3.233 ( 4.357 3.891 4.231) 7.213 3.392 ( 1.701 1.712 3.432) 4.196 3.430 ( 0.762 3.538 2.251) 4.262 3.471 ( 0.919 2.525 -0.691) 2.775 3.647 ( 3.746 -5.258 -8.635) 10.781 3.676 ( -6.833 4.673 0.815) 8.318 3.843 ( 1.488 -5.868 -2.468) 6.538 3.876 ( -1.355 4.062 9.847) 10.737 4.038 ( -0.945 0.370 -8.036) 8.100 4.085 ( -2.796 -4.231 2.165) 5.514 4.187 ( 0.324 8.748 -5.921) 10.568 4.290 ( -2.306 -2.861 -3.144) 4.836 4.396 ( 2.026 -0.807 -3.505) 4.128 4.417 ( -0.347 -1.321 7.858) 7.976 4.584 ( 4.568 -1.881 7.811) 9.242 4.758 ( 5.300 -1.484 6.131) 8.239 4.823 ( -1.700 2.072 4.141) 4.932 4.917 ( -0.208 0.332 -0.578) 0.698 5.068 ( -4.811 2.663 15.415) 16.367 5.114 ( 5.155 -2.287 -7.349) 9.263 5.543 ( -0.329 2.758 1.743) 3.279 5.594 ( -7.595 6.204 -12.505) 15.891 5.734 ( 3.334 -2.699 1.496) 4.543 5.855 ( 2.243 5.051 2.067) 5.901 5.954 ( 0.659 4.714 -1.874) 5.115 6.104 ( -2.537 8.089 -10.329) 13.363 6.200 ( 2.050 -0.619 10.693) 10.905 6.284 ( 3.725 9.358 -3.605) 10.698 6.943 ( 2.373 -0.050 -5.397) 5.896 7.132 ( -1.915 6.503 9.204) 11.431 8.424 ( 0.819 -6.779 2.093) 7.142 8.549 ( -1.571 -0.570 -5.263) 5.522 8.898 ( -0.849 -3.472 13.856) 14.309 9.078 ( -7.464 -4.282 -5.500) 10.212 9.239 ( 3.654 -9.490 6.998) 12.345 9.318 ( 1.100 -7.642 6.520) 10.105 9.663 ( 1.722 5.772 -12.164) 13.574 9.922 ( -6.618 7.763 0.469) 10.212 10.051 ( 4.297 -0.259 -10.511) 11.358 10.130 ( 6.256 2.994 -3.720) 7.870 10.701 ( -8.678 -3.689 -3.553) 10.077 10.742 ( -5.105 4.984 1.178) 7.232 11.002 ( 8.075 1.551 0.250) 8.226 11.181 ( -1.786 -0.432 1.888) 2.635 11.309 ( 5.217 -2.514 1.484) 5.978 11.494 ( -1.419 -0.381 0.165) 1.478 12.827 ( 1.495 -2.192 -11.312) 11.619 12.966 ( -1.342 3.431 14.601) 15.059 16.809 ( 0.760 -8.354 0.896) 8.436 16.832 ( 1.321 -6.188 0.634) 6.359 17.035 ( -6.855 -2.140 -3.980) 8.210 17.142 ( -4.554 0.796 -3.821) 5.998 17.262 ( 6.854 -6.043 -0.823) 9.175 17.736 ( -8.249 5.804 -3.421) 10.650 18.216 ( 4.201 -1.008 -0.009) 4.321 18.367 ( -2.228 1.246 1.037) 2.755 18.572 ( 4.673 -0.587 0.233) 4.716 18.723 ( -2.252 0.306 -2.766) 3.580 18.812 ( 4.427 -1.591 -1.848) 5.054 19.034 ( -1.627 2.796 5.269) 6.182 ======================= Grid point 123 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 -20.896 -10.541) 23.405 1.544 ( 0.000 -20.522 -18.817) 27.843 2.610 ( 0.000 -18.594 -19.057) 26.626 2.802 ( -0.000 7.837 2.238) 8.151 2.924 ( -0.000 -3.619 0.427) 3.644 3.179 ( -0.000 4.557 14.837) 15.521 3.255 ( -0.000 -0.362 5.763) 5.774 3.385 ( 0.000 2.224 -6.817) 7.170 3.444 ( -0.000 0.936 1.372) 1.661 3.497 ( 0.000 0.948 -2.929) 3.079 3.558 ( -0.000 3.588 6.122) 7.096 3.746 ( -0.000 -1.757 2.146) 2.773 3.817 ( 0.000 7.205 -5.433) 9.024 3.911 ( 0.000 0.138 -10.960) 10.961 3.966 ( -0.000 -4.369 0.928) 4.466 4.147 ( 0.000 -0.561 -2.166) 2.238 4.204 ( -0.000 9.921 7.603) 12.499 4.281 ( 0.000 -4.629 -4.641) 6.555 4.343 ( -0.000 0.006 4.348) 4.348 4.522 ( -0.000 -0.231 10.715) 10.717 4.580 ( -0.000 2.159 2.329) 3.176 4.717 ( 0.000 -2.351 -10.194) 10.461 4.901 ( 0.000 1.994 -6.779) 7.066 5.002 ( -0.000 1.036 19.363) 19.391 5.019 ( -0.000 -0.086 7.123) 7.124 5.320 ( -0.000 1.996 19.042) 19.146 5.502 ( 0.000 -2.632 -6.913) 7.397 5.647 ( 0.000 6.590 -1.921) 6.864 5.727 ( -0.000 -1.597 9.565) 9.697 5.883 ( 0.000 2.976 -11.769) 12.140 5.950 ( -0.000 4.905 7.414) 8.890 6.108 ( -0.000 2.053 1.924) 2.814 6.313 ( 0.000 11.685 -1.073) 11.734 6.342 ( -0.000 -1.300 13.518) 13.580 6.839 ( 0.000 0.900 -11.065) 11.101 7.262 ( -0.000 8.343 0.833) 8.384 8.377 ( -0.000 -8.021 0.719) 8.053 8.408 ( 0.000 2.769 -18.392) 18.599 9.037 ( 0.000 0.556 -6.196) 6.221 9.082 ( 0.000 -12.078 -12.612) 17.462 9.089 ( -0.000 -3.253 15.212) 15.556 9.402 ( -0.000 -3.048 14.044) 14.371 9.632 ( -0.000 0.687 5.586) 5.628 9.862 ( 0.000 -4.344 -13.186) 13.883 9.956 ( 0.000 0.039 -7.458) 7.458 10.149 ( -0.000 11.605 5.013) 12.642 10.668 ( 0.000 -4.424 -6.656) 7.992 10.836 ( -0.000 5.349 1.967) 5.699 10.991 ( -0.000 -0.145 5.005) 5.007 11.204 ( -0.000 -2.891 1.817) 3.414 11.251 ( 0.000 -0.982 -2.109) 2.327 11.530 ( -0.000 0.109 5.148) 5.149 12.664 ( 0.000 -2.431 -13.305) 13.525 13.152 ( -0.000 4.334 11.586) 12.370 16.714 ( 0.000 -7.637 -5.305) 9.299 16.722 ( 0.000 -4.796 -9.303) 10.466 16.974 ( 0.000 -0.619 -13.361) 13.376 17.144 ( -0.000 -1.505 6.221) 6.401 17.272 ( -0.000 -5.340 8.761) 10.261 17.834 ( -0.000 5.881 2.388) 6.347 18.163 ( 0.000 -0.658 -2.253) 2.347 18.413 ( -0.000 0.960 2.240) 2.437 18.518 ( 0.000 -0.980 -1.381) 1.694 18.664 ( 0.000 -0.555 -7.342) 7.363 18.794 ( -0.000 -0.872 2.439) 2.591 19.110 ( -0.000 0.735 4.244) 4.307 ======================= Grid point 152 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.000 0.000 25.124) 25.124 1.790 ( -0.000 0.000 25.124) 25.124 2.634 ( 0.000 -0.000 -15.238) 15.238 2.634 ( 0.000 -0.000 -15.238) 15.238 2.839 ( 0.000 -0.000 -22.148) 22.148 3.040 ( 0.000 -0.000 -2.867) 2.867 3.040 ( 0.000 -0.000 -2.867) 2.867 3.105 ( -0.000 0.000 8.047) 8.047 3.491 ( 0.000 -0.000 -7.025) 7.025 3.491 ( 0.000 -0.000 -7.025) 7.025 3.703 ( -0.000 0.000 26.317) 26.317 3.800 ( -0.000 0.000 -2.021) 2.021 3.800 ( 0.000 -0.000 -2.021) 2.021 3.837 ( 0.000 -0.000 -2.163) 2.163 3.982 ( 0.000 -0.000 -12.516) 12.516 3.982 ( 0.000 -0.000 -12.516) 12.516 4.209 ( -0.000 0.000 7.818) 7.818 4.209 ( -0.000 0.000 7.818) 7.818 4.410 ( -0.000 0.000 1.987) 1.987 4.449 ( -0.000 0.000 12.434) 12.434 4.620 ( -0.000 0.000 -1.363) 1.363 4.620 ( 0.000 -0.000 -1.363) 1.363 4.892 ( -0.000 0.000 24.705) 24.705 4.920 ( 0.000 -0.000 -5.013) 5.013 4.920 ( 0.000 -0.000 -5.013) 5.013 5.292 ( 0.000 -0.000 -6.888) 6.888 5.292 ( 0.000 0.000 -6.888) 6.888 5.586 ( 0.000 0.000 0.605) 0.605 5.586 ( 0.000 -0.000 0.605) 0.605 5.686 ( 0.000 -0.000 -4.576) 4.576 6.202 ( -0.000 0.000 4.104) 4.104 6.397 ( 0.000 -0.000 -8.633) 8.633 6.780 ( -0.000 0.000 19.730) 19.730 6.780 ( -0.000 0.000 19.730) 19.730 6.869 ( 0.000 -0.000 -3.296) 3.296 6.900 ( 0.000 -0.000 -29.297) 29.297 8.021 ( 0.000 -0.000 -26.869) 26.869 8.021 ( 0.000 -0.000 -26.869) 26.869 8.423 ( -0.000 0.000 8.301) 8.301 9.058 ( -0.000 0.000 9.355) 9.355 9.058 ( -0.000 0.000 9.355) 9.355 9.233 ( -0.000 0.000 2.397) 2.397 10.163 ( -0.000 0.000 0.485) 0.485 10.163 ( 0.000 -0.000 0.485) 0.485 10.567 ( -0.000 0.000 1.211) 1.211 10.567 ( 0.000 0.000 1.211) 1.211 10.803 ( -0.000 0.000 0.099) 0.099 10.803 ( 0.000 -0.000 0.099) 0.099 10.938 ( -0.000 0.000 34.450) 34.450 10.943 ( 0.000 -0.000 -14.093) 14.093 11.314 ( -0.000 0.000 0.998) 0.998 11.314 ( 0.000 -0.000 0.998) 0.998 12.646 ( 0.000 -0.000 -22.541) 22.541 12.874 ( -0.000 0.000 6.376) 6.376 16.658 ( -0.000 -0.000 0.462) 0.462 16.658 ( -0.000 0.000 0.462) 0.462 16.839 ( 0.000 -0.000 -2.284) 2.284 17.505 ( -0.000 0.000 16.861) 16.861 17.505 ( -0.000 0.000 16.861) 16.861 18.171 ( 0.000 -0.000 -3.405) 3.405 18.171 ( 0.000 -0.000 -3.405) 3.405 18.535 ( 0.000 -0.000 -10.435) 10.435 18.595 ( -0.000 0.000 0.831) 0.831 18.595 ( 0.000 -0.000 0.831) 0.831 18.622 ( 0.000 -0.000 -1.732) 1.732 18.853 ( -0.000 0.000 4.301) 4.301 ======================= Grid point 153 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -0.701 -0.405 21.531) 21.546 2.160 ( -7.498 -4.329 5.563) 10.291 2.178 ( -5.302 -3.061 7.433) 9.629 2.652 ( 2.953 1.705 -5.860) 6.780 2.777 ( 9.317 5.379 -9.992) 14.683 2.912 ( -2.624 -1.515 -4.107) 5.104 3.119 ( 6.137 3.543 -0.504) 7.105 3.180 ( 2.861 1.652 1.781) 3.753 3.384 ( -0.865 -0.499 -5.265) 5.359 3.461 ( 2.360 1.363 -5.671) 6.292 3.631 ( -7.946 -4.587 -4.466) 10.204 3.758 ( -3.001 -1.733 -4.139) 5.398 3.800 ( 1.565 0.904 -6.663) 6.904 3.868 ( 1.885 1.088 -7.370) 7.685 3.990 ( 2.289 1.322 -0.667) 2.726 4.035 ( 1.803 1.041 20.816) 20.919 4.214 ( 0.388 0.224 8.443) 8.454 4.314 ( -12.789 -7.383 5.221) 15.663 4.385 ( 1.008 0.582 3.557) 3.742 4.583 ( 2.593 1.497 2.415) 3.847 4.603 ( -3.309 -1.910 -1.845) 4.243 4.618 ( 2.652 1.531 7.622) 8.214 4.904 ( 6.207 3.584 -2.948) 7.750 4.908 ( -0.082 -0.047 -3.876) 3.878 5.066 ( -5.386 -3.109 -8.088) 10.202 5.177 ( 0.694 0.401 24.956) 24.969 5.394 ( 10.266 5.927 -4.375) 12.636 5.481 ( -4.734 -2.733 -5.473) 7.735 5.609 ( 1.853 1.070 -5.063) 5.497 5.682 ( 4.235 2.445 -3.745) 6.160 6.248 ( 2.572 1.485 0.564) 3.023 6.306 ( 0.570 0.329 -7.905) 7.933 6.566 ( -1.588 -0.917 -25.174) 25.240 6.830 ( -2.599 -1.501 1.133) 3.208 6.888 ( -3.454 -1.994 -0.546) 4.025 6.982 ( -2.327 -1.343 17.836) 18.037 7.755 ( 2.435 1.406 -23.101) 23.272 7.867 ( 6.325 3.652 -5.950) 9.420 8.523 ( 0.725 0.419 8.560) 8.601 9.139 ( -3.407 -1.967 4.219) 5.768 9.164 ( 0.182 0.105 10.749) 10.751 9.267 ( 2.147 1.240 3.986) 4.694 10.039 ( -4.774 -2.756 -7.616) 9.402 10.190 ( 2.814 1.625 -6.070) 6.885 10.527 ( -2.128 -1.229 1.890) 3.100 10.588 ( -4.709 -2.719 -1.258) 5.581 10.644 ( -10.284 -5.937 2.107) 12.060 10.853 ( 4.979 2.874 -9.457) 11.068 10.918 ( 3.322 1.918 5.699) 6.870 11.259 ( -1.839 -1.062 -0.429) 2.167 11.323 ( 3.097 1.788 24.798) 25.054 11.387 ( 3.131 1.808 0.680) 3.679 12.394 ( -0.549 -0.317 -20.551) 20.561 12.955 ( 2.392 1.381 4.425) 5.216 16.662 ( -1.619 -0.935 2.445) 3.078 16.672 ( -0.151 -0.087 2.868) 2.873 16.837 ( -0.155 -0.090 1.113) 1.127 17.678 ( -2.706 -1.562 17.346) 17.626 17.682 ( -0.501 -0.289 14.865) 14.876 18.024 ( -5.101 -2.945 -7.237) 9.331 18.224 ( 5.887 3.399 -2.230) 7.154 18.322 ( -9.138 -5.276 -7.530) 12.963 18.526 ( -0.694 -0.401 -2.230) 2.370 18.666 ( 3.281 1.894 -4.012) 5.518 18.683 ( 4.322 2.495 0.196) 4.994 18.903 ( 1.762 1.018 2.198) 2.995 ======================= Grid point 154 (49/65) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -17.504 -10.106 5.173) 20.864 2.238 ( 2.228 1.287 16.681) 16.878 2.466 ( -16.489 -9.520 -1.373) 19.089 2.543 ( 7.199 4.156 19.673) 21.357 2.908 ( 11.206 6.470 0.512) 12.950 2.996 ( 11.069 6.391 0.146) 12.782 3.235 ( 3.378 1.950 -1.113) 4.056 3.240 ( 5.249 3.031 4.532) 7.569 3.358 ( 3.168 1.829 -3.673) 5.184 3.405 ( -6.144 -3.547 -7.892) 10.612 3.479 ( 0.574 0.332 -2.396) 2.486 3.673 ( -1.433 -0.828 -6.427) 6.637 3.776 ( 2.509 1.449 -2.885) 4.089 3.816 ( 0.920 0.531 -6.040) 6.133 4.002 ( -0.508 -0.293 0.101) 0.595 4.115 ( -15.413 -8.899 7.991) 19.509 4.140 ( -3.633 -2.098 10.246) 11.071 4.349 ( -7.390 -4.267 -0.672) 8.560 4.356 ( -5.719 -3.302 2.690) 7.130 4.552 ( 6.653 3.841 7.744) 10.908 4.659 ( -0.898 -0.519 4.862) 4.971 4.780 ( 7.026 4.056 -1.565) 8.262 4.836 ( -0.655 -0.378 -1.986) 2.125 4.978 ( 4.674 2.699 -1.416) 5.580 5.008 ( 5.654 3.264 -5.059) 8.259 5.318 ( -3.911 -2.258 -8.971) 10.043 5.390 ( -1.316 -0.760 8.880) 9.009 5.554 ( 4.267 2.463 -3.198) 5.874 5.578 ( 7.285 4.206 1.586) 8.560 5.748 ( 7.058 4.075 -2.149) 8.428 6.247 ( 1.329 0.767 -6.516) 6.694 6.285 ( 4.106 2.371 -6.827) 8.312 6.343 ( 1.173 0.677 -10.565) 10.652 6.613 ( -7.763 -4.482 -20.422) 22.302 6.862 ( 0.894 0.516 2.823) 3.006 7.025 ( -1.926 -1.112 -6.386) 6.762 7.669 ( 1.788 1.033 3.911) 4.422 8.092 ( 8.294 4.789 18.093) 20.472 8.640 ( 1.826 1.054 8.579) 8.834 9.038 ( -8.645 -4.991 -0.937) 10.026 9.282 ( -0.156 -0.090 9.504) 9.506 9.382 ( 2.787 1.609 6.018) 6.825 9.873 ( -1.614 -0.932 -10.294) 10.461 10.120 ( -0.607 -0.351 -10.109) 10.133 10.383 ( -10.059 -5.808 -6.666) 13.392 10.500 ( -1.197 -0.691 -2.827) 3.147 10.558 ( -7.342 -4.239 8.100) 11.725 10.855 ( 3.894 2.248 -6.236) 7.688 11.046 ( 2.421 1.398 7.821) 8.305 11.246 ( 1.135 0.656 -1.098) 1.710 11.416 ( 1.555 0.898 -2.419) 3.013 11.539 ( -0.030 -0.017 5.016) 5.016 12.239 ( 0.855 0.494 -3.561) 3.695 13.050 ( 4.323 2.496 1.800) 5.306 16.662 ( -3.324 -1.919 5.514) 6.719 16.707 ( -0.986 -0.569 4.814) 4.947 16.841 ( -3.045 -1.758 4.453) 5.674 17.720 ( -9.644 -5.568 4.110) 11.870 17.802 ( 1.152 0.665 5.494) 5.653 17.896 ( -3.478 -2.008 0.632) 4.065 18.093 ( -5.314 -3.068 -7.924) 10.022 18.322 ( 5.055 2.919 2.012) 6.174 18.506 ( 0.164 0.095 -0.865) 0.885 18.642 ( 0.276 0.159 -5.278) 5.288 18.747 ( 2.857 1.650 0.151) 3.303 18.967 ( 3.942 2.276 0.211) 4.556 ======================= Grid point 155 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -16.439 -9.491 20.676) 28.068 2.100 ( -21.672 -12.512 0.889) 25.040 2.480 ( 5.498 3.174 10.706) 12.447 2.848 ( 6.051 3.493 12.858) 14.634 3.086 ( -3.214 -1.856 2.438) 4.440 3.152 ( 4.213 2.432 1.563) 5.110 3.187 ( -1.647 -0.951 -5.044) 5.391 3.312 ( 5.402 3.119 -2.348) 6.665 3.375 ( 1.005 0.580 3.316) 3.513 3.393 ( 7.284 4.205 -3.401) 9.072 3.496 ( 3.999 2.309 0.684) 4.668 3.583 ( 1.205 0.696 -3.594) 3.854 3.742 ( -6.180 -3.568 -1.818) 7.364 3.830 ( 4.161 2.403 1.908) 5.170 3.962 ( -1.552 -0.896 -5.148) 5.451 4.036 ( -4.436 -2.561 13.399) 14.345 4.202 ( -2.878 -1.661 4.643) 5.710 4.214 ( -5.514 -3.184 0.153) 6.369 4.255 ( -5.165 -2.982 9.879) 11.540 4.640 ( -4.575 -2.641 1.400) 5.465 4.761 ( 5.289 3.054 -4.211) 7.418 4.820 ( -1.299 -0.750 -2.410) 2.839 4.831 ( 7.159 4.133 -2.376) 8.601 4.995 ( 2.999 1.732 -9.985) 10.569 5.118 ( 10.427 6.020 -0.675) 12.059 5.190 ( 1.364 0.788 -8.339) 8.486 5.403 ( -2.423 -1.399 6.797) 7.351 5.565 ( 1.914 1.105 1.087) 2.463 5.755 ( 8.550 4.936 -2.619) 10.214 5.869 ( 8.229 4.751 -2.991) 9.962 6.115 ( -3.704 -2.138 -24.625) 24.994 6.189 ( 1.978 1.142 -8.440) 8.744 6.320 ( 0.651 0.376 -16.531) 16.548 6.414 ( 3.005 1.735 13.122) 13.573 6.822 ( -0.728 -0.420 -21.746) 21.762 6.955 ( 2.718 1.569 7.849) 8.454 7.857 ( 0.809 0.467 21.967) 21.987 8.460 ( 4.796 2.769 22.844) 23.505 8.777 ( 2.664 1.538 8.730) 9.256 8.863 ( -8.439 -4.872 0.056) 9.744 9.347 ( -1.598 -0.923 3.727) 4.158 9.441 ( -2.924 -1.688 3.178) 4.636 9.803 ( 6.868 3.965 -8.980) 11.981 9.975 ( -4.525 -2.613 -5.549) 7.622 10.131 ( -9.909 -5.721 -6.232) 13.029 10.395 ( -2.956 -1.706 -10.771) 11.299 10.565 ( -2.755 -1.591 8.453) 9.032 10.838 ( 1.881 1.086 -5.611) 6.017 11.157 ( -0.003 -0.002 6.831) 6.831 11.259 ( 1.405 0.811 -1.275) 2.063 11.327 ( -2.611 -1.507 -12.553) 12.910 11.524 ( 2.474 1.428 -3.995) 4.911 12.342 ( 1.211 0.699 14.195) 14.264 13.135 ( 5.123 2.958 -1.905) 6.215 16.669 ( -5.124 -2.958 8.949) 10.728 16.738 ( -2.795 -1.613 6.477) 7.237 16.838 ( -4.731 -2.732 8.039) 9.719 17.514 ( -8.451 -4.879 -8.255) 12.782 17.743 ( -9.959 -5.750 -5.939) 12.942 17.845 ( 3.271 1.888 -4.584) 5.940 18.062 ( 0.971 0.561 4.321) 4.464 18.428 ( 2.226 1.285 4.845) 5.485 18.500 ( 0.558 0.322 -2.699) 2.775 18.586 ( -1.417 -0.818 -0.952) 1.893 18.789 ( 1.812 1.046 0.128) 2.097 19.040 ( 4.807 2.775 -1.074) 5.653 ======================= Grid point 156 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -17.558 -10.137 23.824) 31.283 1.741 ( -21.771 -12.570 4.303) 25.505 2.673 ( 6.744 3.894 4.199) 8.847 2.807 ( -19.762 -11.409 3.784) 23.130 2.970 ( -0.903 -0.521 0.878) 1.363 3.209 ( 3.521 2.033 -3.165) 5.152 3.267 ( 2.201 1.271 1.975) 3.218 3.328 ( 0.543 0.313 0.100) 0.635 3.414 ( 6.508 3.757 -2.886) 8.050 3.514 ( -6.761 -3.904 2.686) 8.256 3.517 ( 8.153 4.707 -3.789) 10.148 3.667 ( 3.403 1.964 2.223) 4.514 3.723 ( 4.629 2.673 11.461) 12.646 3.840 ( -3.182 -1.837 -6.660) 7.606 3.955 ( 3.309 1.910 5.725) 6.883 4.140 ( -1.087 -0.628 1.826) 2.216 4.143 ( 1.128 0.651 -5.153) 5.315 4.230 ( 0.804 0.464 14.580) 14.610 4.368 ( -1.219 -0.704 9.482) 9.586 4.554 ( -3.299 -1.905 -1.493) 4.091 4.671 ( 1.226 0.708 -16.711) 16.771 4.738 ( -4.001 -2.310 -1.031) 4.733 4.846 ( 1.610 0.929 -4.944) 5.282 5.016 ( 4.891 2.824 -1.331) 5.802 5.147 ( 3.572 2.062 -11.142) 11.881 5.344 ( 13.026 7.521 2.240) 15.207 5.457 ( -1.459 -0.842 7.124) 7.320 5.656 ( -2.392 -1.381 -28.318) 28.452 5.683 ( 4.013 2.317 10.562) 11.534 5.810 ( 4.002 2.310 -7.459) 8.774 6.093 ( 7.224 4.171 -4.170) 9.326 6.128 ( 1.887 1.090 -8.043) 8.333 6.143 ( 1.585 0.915 -11.754) 11.895 6.555 ( -0.166 -0.096 -18.342) 18.343 6.658 ( 1.203 0.694 15.363) 15.426 7.112 ( 5.138 2.967 6.946) 9.135 8.135 ( 1.644 0.949 23.173) 23.250 8.534 ( -8.760 -5.057 0.085) 10.115 8.919 ( 2.197 1.268 8.800) 9.158 8.955 ( -0.124 -0.071 24.404) 24.405 9.286 ( -3.026 -1.747 -7.774) 8.523 9.391 ( -0.827 -0.477 -1.898) 2.125 9.850 ( 6.330 3.654 -12.209) 14.230 9.873 ( -6.885 -3.975 4.741) 9.256 9.945 ( -4.457 -2.573 -1.384) 5.329 10.164 ( -3.196 -1.845 -15.373) 15.810 10.628 ( -1.690 -0.976 8.755) 8.970 10.811 ( 2.643 1.526 -5.294) 6.110 11.097 ( -2.731 -1.577 -9.667) 10.168 11.239 ( -1.051 -0.607 2.974) 3.212 11.253 ( -0.612 -0.354 -1.485) 1.645 11.543 ( 3.327 1.921 -3.471) 5.177 12.524 ( -0.459 -0.265 15.882) 15.891 13.177 ( 4.795 2.768 -6.542) 8.570 16.687 ( -5.726 -3.306 11.614) 13.364 16.747 ( -5.331 -3.078 7.634) 9.806 16.871 ( -3.616 -2.088 11.579) 12.309 17.287 ( -4.825 -2.786 -10.262) 11.677 17.493 ( -8.105 -4.680 -9.452) 13.302 17.829 ( 3.939 2.274 -8.543) 9.678 18.128 ( -0.113 -0.065 5.160) 5.161 18.451 ( -0.025 -0.015 -5.276) 5.276 18.497 ( 0.070 0.040 3.888) 3.889 18.600 ( -0.731 -0.422 5.639) 5.702 18.810 ( 0.747 0.432 -0.601) 1.052 19.101 ( 3.910 2.257 -2.258) 5.048 ======================= Grid point 161 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -0.000 -6.846 18.930) 20.130 2.258 ( -0.000 -10.059 1.657) 10.194 2.385 ( -0.000 -8.591 3.609) 9.318 2.421 ( -0.000 5.623 21.956) 22.664 2.809 ( -0.000 10.429 0.488) 10.440 2.962 ( 0.000 3.708 -0.960) 3.831 3.056 ( -0.000 1.115 1.447) 1.827 3.191 ( -0.000 2.510 -0.027) 2.510 3.314 ( 0.000 -3.257 -4.124) 5.255 3.428 ( 0.000 5.197 -3.552) 6.295 3.567 ( 0.000 -10.469 -4.617) 11.442 3.663 ( 0.000 -0.582 -6.189) 6.217 3.757 ( 0.000 4.060 -8.934) 9.813 3.796 ( 0.000 -4.235 -0.079) 4.236 4.041 ( 0.000 9.628 -0.748) 9.657 4.225 ( -0.000 -7.945 7.032) 10.609 4.273 ( -0.000 1.167 16.008) 16.050 4.437 ( -0.000 -8.892 3.938) 9.726 4.481 ( -0.000 9.141 2.360) 9.441 4.501 ( -0.000 -5.234 5.176) 7.361 4.619 ( -0.000 -3.616 1.503) 3.915 4.709 ( -0.000 3.524 4.358) 5.605 4.853 ( 0.000 1.067 -4.879) 4.995 4.867 ( 0.000 8.693 -3.339) 9.312 4.989 ( 0.000 -7.652 -7.013) 10.380 5.342 ( 0.000 12.251 -3.340) 12.698 5.386 ( 0.000 -6.924 -3.661) 7.833 5.430 ( -0.000 0.459 11.273) 11.282 5.536 ( 0.000 1.666 -5.841) 6.074 5.661 ( 0.000 5.765 -2.322) 6.215 6.211 ( 0.000 1.616 -5.002) 5.256 6.224 ( 0.000 1.285 -7.560) 7.668 6.325 ( 0.000 -1.170 -13.409) 13.460 6.749 ( 0.000 -9.144 -20.901) 22.814 6.848 ( -0.000 0.282 2.064) 2.083 7.016 ( 0.000 8.060 -21.530) 22.989 7.670 ( -0.000 -7.961 17.914) 19.603 7.961 ( -0.000 11.934 16.064) 20.012 8.616 ( -0.000 -0.165 8.897) 8.899 9.174 ( -0.000 -6.106 1.137) 6.211 9.265 ( -0.000 -0.024 8.668) 8.668 9.346 ( -0.000 6.356 7.182) 9.590 9.909 ( 0.000 -9.136 -11.109) 14.383 10.114 ( 0.000 4.876 -9.170) 10.386 10.456 ( 0.000 -9.788 -1.973) 9.985 10.599 ( 0.000 -5.935 -5.919) 8.382 10.728 ( 0.000 2.870 -6.669) 7.260 10.766 ( -0.000 1.722 7.731) 7.921 10.980 ( -0.000 7.425 3.598) 8.251 11.208 ( 0.000 -7.460 -1.809) 7.676 11.403 ( 0.000 6.393 -1.157) 6.496 11.537 ( -0.000 0.396 8.917) 8.925 12.227 ( 0.000 0.204 -5.978) 5.982 12.989 ( -0.000 1.928 2.189) 2.917 16.704 ( -0.000 -2.848 6.262) 6.879 16.727 ( -0.000 -0.527 6.050) 6.073 16.882 ( -0.000 0.871 5.360) 5.431 17.792 ( -0.000 -3.378 4.859) 5.918 17.863 ( -0.000 -5.321 15.856) 16.725 17.936 ( 0.000 -2.117 -10.798) 11.004 18.185 ( 0.000 1.357 -3.046) 3.334 18.268 ( 0.000 6.538 -8.362) 10.614 18.521 ( 0.000 -4.965 -0.324) 4.976 18.581 ( -0.000 -1.711 2.541) 3.064 18.711 ( 0.000 6.071 -2.420) 6.536 18.909 ( 0.000 1.023 -0.166) 1.036 ======================= Grid point 162 (53/65) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -16.831 -8.659 17.289) 25.635 2.374 ( 2.412 -7.248 15.152) 16.968 2.541 ( 1.251 -7.951 6.466) 10.325 2.717 ( 4.585 3.048 16.333) 17.236 2.766 ( 0.090 -5.366 6.056) 8.092 3.058 ( 2.658 12.442 3.640) 13.233 3.171 ( 0.961 -5.690 -4.225) 7.152 3.218 ( 10.887 3.496 5.575) 12.722 3.277 ( 2.061 -1.027 -1.313) 2.650 3.381 ( -3.698 -1.109 -3.917) 5.500 3.486 ( -1.455 4.489 -1.847) 5.068 3.603 ( -0.206 2.964 -7.601) 8.161 3.711 ( 3.050 -0.314 -3.023) 4.306 3.782 ( 0.612 -3.496 1.854) 4.004 4.041 ( -3.646 5.434 -4.606) 8.002 4.260 ( -4.635 -8.259 11.266) 14.718 4.275 ( -4.626 -6.694 6.283) 10.281 4.451 ( -5.681 -2.247 1.555) 6.304 4.490 ( -10.785 2.684 2.077) 11.307 4.567 ( 6.578 6.079 4.609) 10.073 4.637 ( 1.147 -3.612 1.509) 4.080 4.759 ( 2.255 2.489 -2.394) 4.124 4.803 ( -0.273 -3.855 -1.995) 4.350 4.898 ( 5.042 1.847 -5.498) 7.685 4.921 ( 1.973 6.175 -1.982) 6.779 5.205 ( -1.680 -7.381 -11.180) 13.501 5.437 ( 2.641 7.417 -1.556) 8.025 5.505 ( 1.540 1.788 -1.744) 2.934 5.552 ( 4.669 3.531 0.925) 5.926 5.713 ( 2.998 6.726 -0.379) 7.374 6.134 ( 1.508 3.169 -10.610) 11.176 6.154 ( 0.755 1.205 -10.983) 11.075 6.309 ( 0.558 -4.840 -7.413) 8.871 6.411 ( -2.863 1.532 -8.328) 8.939 6.758 ( 3.595 5.622 -33.103) 33.769 6.897 ( 1.332 0.942 3.888) 4.217 7.902 ( -2.746 -5.012 31.255) 31.773 8.302 ( 5.049 7.141 23.071) 24.673 8.727 ( 0.955 1.064 9.833) 9.936 9.076 ( -5.702 -5.967 -2.653) 8.669 9.361 ( -0.188 -0.992 7.817) 7.882 9.469 ( 0.698 4.663 5.192) 7.013 9.716 ( 0.840 -7.260 -11.320) 13.475 10.042 ( -1.221 3.417 -7.687) 8.501 10.334 ( -1.564 -8.983 -6.432) 11.158 10.441 ( -4.011 -5.769 -6.498) 9.570 10.677 ( -2.655 1.784 -2.392) 3.994 10.840 ( -3.125 3.561 4.031) 6.221 11.097 ( 3.263 1.938 4.036) 5.540 11.158 ( 4.643 -4.463 -1.941) 6.727 11.412 ( -2.614 5.017 -6.215) 8.404 11.486 ( 0.789 0.553 -11.521) 11.561 12.309 ( 0.900 1.021 15.306) 15.367 13.029 ( 2.386 2.095 -0.783) 3.271 16.757 ( -1.352 -3.920 9.518) 10.382 16.793 ( -1.416 -1.649 8.793) 9.057 16.947 ( -2.749 -0.562 8.539) 8.988 17.710 ( -4.851 -6.921 -11.347) 14.149 17.765 ( 2.064 -2.955 -6.711) 7.618 17.977 ( -6.167 -2.712 -2.284) 7.113 18.049 ( -0.055 0.465 0.167) 0.497 18.382 ( 1.128 8.822 7.541) 11.661 18.482 ( 0.698 -2.725 -1.910) 3.400 18.605 ( -0.032 -1.370 1.709) 2.191 18.735 ( 1.693 3.095 -0.687) 3.594 18.923 ( 2.973 1.473 -2.118) 3.936 ======================= Grid point 163 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -15.717 -8.595 25.360) 31.049 2.320 ( -21.099 -8.493 2.064) 22.838 2.503 ( 5.888 -8.392 8.230) 13.147 2.927 ( 1.174 3.980 3.176) 5.225 2.976 ( 11.249 -9.875 6.514) 16.325 3.051 ( 8.551 -10.734 -0.778) 13.746 3.201 ( 2.223 1.780 3.442) 4.467 3.303 ( 0.128 6.220 3.352) 7.067 3.335 ( -2.674 3.724 -0.429) 4.604 3.409 ( -3.809 7.647 -7.751) 11.535 3.517 ( 10.822 3.391 10.142) 15.214 3.586 ( 0.894 4.673 -1.751) 5.069 3.758 ( 0.137 -2.122 0.512) 2.187 3.783 ( 4.057 -2.935 2.257) 5.493 3.961 ( -4.736 4.946 -5.793) 8.969 4.200 ( -6.528 -5.088 7.687) 11.296 4.265 ( -6.029 -1.644 -1.568) 6.443 4.334 ( -9.000 -2.619 8.120) 12.401 4.462 ( -6.450 -1.536 11.538) 13.307 4.586 ( 2.364 -2.033 -7.612) 8.226 4.637 ( 1.330 -1.689 -8.209) 8.486 4.761 ( 1.754 1.513 -0.180) 2.323 4.817 ( 0.810 2.692 -2.949) 4.074 4.903 ( 4.104 -0.759 -2.649) 4.943 5.000 ( 6.423 -0.553 -6.214) 8.954 5.084 ( 4.170 1.784 2.160) 5.024 5.479 ( -0.041 1.585 2.195) 2.708 5.567 ( 4.040 5.570 1.086) 6.966 5.678 ( 6.545 4.617 -0.227) 8.012 5.772 ( -2.132 3.649 -15.180) 15.757 5.903 ( 1.127 3.220 -12.836) 13.281 6.078 ( 1.788 4.165 -9.521) 10.545 6.122 ( 2.016 -0.061 -13.911) 14.057 6.475 ( 4.557 5.358 -24.330) 25.326 6.619 ( 2.063 2.910 13.366) 13.834 6.987 ( 3.968 1.239 3.886) 5.691 8.169 ( -3.811 -3.423 29.340) 29.784 8.644 ( 5.393 -1.022 16.428) 17.321 8.849 ( -2.787 -2.161 5.239) 6.315 8.960 ( -1.679 2.875 8.143) 8.797 9.362 ( -3.313 -0.118 -4.671) 5.728 9.491 ( -3.273 -10.613 3.532) 11.654 9.643 ( 7.227 6.297 -8.268) 12.658 9.984 ( -3.492 1.368 -0.014) 3.751 10.146 ( -5.392 -6.481 -6.466) 10.625 10.268 ( -3.860 -3.358 -10.733) 11.890 10.647 ( -0.725 1.500 -0.566) 1.760 10.822 ( -4.752 -1.548 1.336) 5.174 11.108 ( 3.897 -4.775 -6.284) 8.802 11.227 ( 1.069 2.045 -5.826) 6.266 11.274 ( -0.334 3.371 -0.653) 3.450 11.462 ( 1.913 3.710 -3.998) 5.780 12.519 ( 0.517 0.930 17.544) 17.576 13.056 ( 3.860 1.795 -4.778) 6.399 16.819 ( -3.088 -4.505 12.289) 13.448 16.856 ( -2.947 -2.752 10.626) 11.365 16.984 ( -5.054 -2.858 9.770) 11.365 17.448 ( -6.163 -5.428 -13.412) 15.726 17.687 ( 2.364 -2.892 -11.068) 11.681 17.736 ( -6.019 -1.447 -12.162) 13.647 18.140 ( -0.332 0.261 8.209) 8.220 18.439 ( 0.763 -1.195 -5.095) 5.289 18.518 ( -1.318 5.412 6.466) 8.534 18.619 ( -0.492 -0.953 4.087) 4.225 18.777 ( 1.553 2.242 0.230) 2.737 18.965 ( 5.647 1.719 -2.947) 6.598 ======================= Grid point 164 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -21.767 -7.127 5.460) 23.546 2.047 ( -19.159 -8.541 20.657) 29.440 2.575 ( 9.226 -10.535 -0.029) 14.004 2.768 ( 0.710 -9.676 -12.911) 16.150 3.088 ( 2.919 0.513 0.215) 2.971 3.173 ( -5.412 -1.946 7.670) 9.586 3.198 ( 0.487 0.302 -1.338) 1.455 3.329 ( 3.006 1.121 1.804) 3.681 3.407 ( 2.969 4.462 -1.832) 5.664 3.440 ( 1.184 8.285 2.381) 8.702 3.611 ( 5.483 -3.881 -2.425) 7.141 3.665 ( -7.267 1.378 2.885) 7.939 3.800 ( 4.844 1.501 10.333) 11.511 3.877 ( 0.624 2.442 -0.508) 2.570 3.920 ( 5.240 2.727 3.035) 6.641 4.104 ( -4.876 0.065 -7.049) 8.571 4.173 ( -4.480 -1.697 2.772) 5.535 4.360 ( -1.819 -4.350 -0.163) 4.718 4.430 ( -3.312 -0.119 0.229) 3.322 4.539 ( -1.309 -0.605 -8.179) 8.305 4.548 ( -0.129 -2.340 6.158) 6.589 4.772 ( -2.269 -1.352 2.670) 3.756 4.827 ( 2.753 2.936 2.055) 4.519 4.933 ( 4.774 -1.275 -8.089) 9.479 5.018 ( 3.902 0.326 2.053) 4.421 5.284 ( 4.292 3.299 5.967) 8.057 5.365 ( 2.360 -0.123 -22.708) 22.830 5.546 ( -0.463 2.846 -2.898) 4.088 5.694 ( 3.218 7.511 1.321) 8.278 5.824 ( 3.288 2.111 8.936) 9.753 5.957 ( 1.369 -0.131 -10.781) 10.868 5.992 ( 3.796 2.178 -8.589) 9.640 6.088 ( 5.175 7.769 1.315) 9.427 6.323 ( 4.221 4.913 -18.692) 19.783 6.827 ( 0.279 2.620 13.439) 13.695 7.087 ( 6.044 1.596 -0.672) 6.287 8.391 ( -2.018 -3.016 21.465) 21.770 8.605 ( -8.686 -3.409 -3.643) 10.017 8.957 ( 5.937 -5.758 12.824) 15.260 9.135 ( -2.038 -3.095 -6.187) 7.212 9.261 ( -0.239 5.710 10.272) 11.755 9.386 ( -3.358 -4.037 -1.699) 5.519 9.690 ( 2.081 2.845 -8.634) 9.326 9.903 ( -0.309 -7.718 -6.145) 9.871 10.030 ( -5.619 1.806 2.305) 6.337 10.091 ( -5.139 3.499 -2.636) 6.753 10.673 ( 3.628 -0.129 0.487) 3.663 10.750 ( -1.079 -6.628 -0.318) 6.723 11.022 ( -2.151 3.875 -6.099) 7.539 11.197 ( 3.008 -1.741 -3.051) 4.624 11.329 ( -3.006 3.544 2.920) 5.488 11.482 ( 3.191 1.571 -2.459) 4.324 12.704 ( -0.887 0.527 14.665) 14.701 13.042 ( 4.173 1.198 -9.577) 10.516 16.864 ( -5.877 -3.958 10.539) 12.700 16.899 ( -5.873 -3.201 10.237) 12.228 17.003 ( -2.050 -5.787 8.833) 10.757 17.199 ( -3.389 -3.181 -11.473) 12.379 17.452 ( -8.741 -1.577 -10.965) 14.111 17.670 ( 6.948 -2.022 -6.204) 9.532 18.206 ( -1.976 1.058 5.206) 5.668 18.384 ( 1.251 -0.728 -4.902) 5.111 18.572 ( -2.755 3.268 2.792) 5.105 18.667 ( 0.585 -0.841 5.257) 5.356 18.809 ( -0.445 2.607 0.493) 2.691 19.018 ( 5.684 1.247 -3.787) 6.943 ======================= Grid point 170 (56/65) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -0.000 -5.917 18.082) 19.025 2.409 ( 0.000 -13.287 9.829) 16.527 2.531 ( -0.000 -8.592 16.824) 18.891 2.853 ( -0.000 -1.038 12.698) 12.741 2.858 ( 0.000 -6.595 5.569) 8.632 3.001 ( 0.000 -13.223 -10.566) 16.925 3.146 ( 0.000 3.786 4.353) 5.769 3.210 ( 0.000 2.147 8.727) 8.987 3.307 ( 0.000 7.449 3.629) 8.286 3.386 ( 0.000 0.149 0.327) 0.360 3.537 ( -0.000 8.494 -1.824) 8.687 3.538 ( 0.000 4.466 -8.770) 9.842 3.678 ( 0.000 0.645 1.869) 1.978 3.785 ( 0.000 -2.004 3.925) 4.407 4.045 ( 0.000 5.413 -6.256) 8.272 4.300 ( 0.000 -9.862 5.188) 11.143 4.378 ( 0.000 -3.616 7.615) 8.430 4.485 ( 0.000 8.275 -17.965) 19.780 4.517 ( 0.000 -1.015 8.575) 8.635 4.595 ( -0.000 1.301 -1.993) 2.381 4.637 ( 0.000 -5.042 0.663) 5.085 4.732 ( 0.000 -4.156 -3.017) 5.135 4.766 ( 0.000 -1.263 4.189) 4.375 4.820 ( 0.000 0.471 -1.797) 1.858 4.992 ( -0.000 7.665 5.265) 9.299 5.023 ( 0.000 -8.654 -9.119) 12.571 5.434 ( 0.000 8.594 -5.959) 10.458 5.508 ( 0.000 5.702 1.082) 5.804 5.567 ( 0.000 -0.373 6.066) 6.078 5.751 ( 0.000 7.587 0.669) 7.616 5.989 ( 0.000 -1.941 -31.361) 31.421 6.052 ( 0.000 5.824 -8.755) 10.515 6.065 ( 0.000 3.036 -9.367) 9.847 6.394 ( 0.000 7.456 -33.970) 34.779 6.586 ( 0.000 3.899 18.967) 19.363 6.930 ( 0.000 0.862 2.524) 2.667 8.258 ( 0.000 -4.522 33.579) 33.882 8.510 ( 0.000 -1.604 15.766) 15.848 8.883 ( 0.000 6.736 14.727) 16.194 9.022 ( 0.000 -6.172 -5.483) 8.256 9.465 ( -0.000 4.594 4.079) 6.143 9.479 ( 0.000 3.944 -8.476) 9.349 9.540 ( 0.000 -13.331 -1.425) 13.407 10.039 ( 0.000 4.366 -0.018) 4.366 10.180 ( 0.000 -9.294 -9.809) 13.513 10.335 ( 0.000 -5.612 -8.521) 10.203 10.705 ( 0.000 3.880 0.171) 3.884 10.944 ( 0.000 2.076 1.213) 2.404 10.998 ( 0.000 -8.040 -5.656) 9.830 11.162 ( 0.000 3.511 4.938) 6.059 11.288 ( 0.000 0.538 -15.778) 15.787 11.447 ( 0.000 5.811 -3.192) 6.630 12.510 ( 0.000 1.449 18.456) 18.513 13.001 ( 0.000 1.451 -3.945) 4.204 16.853 ( 0.000 -5.177 12.354) 13.395 16.895 ( 0.000 -3.769 11.060) 11.685 17.074 ( 0.000 -1.548 11.369) 11.474 17.547 ( 0.000 -6.884 -13.949) 15.556 17.600 ( 0.000 -3.070 -13.665) 14.006 17.880 ( 0.000 1.034 -15.728) 15.762 18.134 ( 0.000 -1.540 9.889) 10.008 18.427 ( 0.000 -3.389 -2.377) 4.139 18.542 ( 0.000 7.985 8.161) 11.417 18.622 ( 0.000 -1.051 1.832) 2.112 18.751 ( 0.000 3.795 1.715) 4.164 18.874 ( 0.000 0.965 -4.281) 4.389 ======================= Grid point 172 (57/65) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.672 -17.254 0.706) 17.890 2.464 ( -11.893 -6.568 21.417) 25.363 2.557 ( -16.245 -4.380 3.569) 17.200 2.733 ( 0.381 -19.027 -12.018) 22.508 2.922 ( 8.658 -6.099 13.088) 16.836 3.026 ( 2.889 1.837 7.935) 8.642 3.233 ( 1.988 4.240 3.715) 5.978 3.352 ( 0.287 3.844 -2.844) 4.790 3.418 ( 5.914 2.031 5.335) 8.220 3.426 ( 6.868 -0.434 0.950) 6.947 3.494 ( -5.105 5.956 2.744) 8.311 3.557 ( -0.174 5.119 -3.232) 6.056 3.753 ( 2.775 1.442 5.112) 5.992 3.830 ( -1.781 5.431 2.622) 6.288 4.001 ( -3.077 5.602 -3.606) 7.339 4.211 ( -1.296 1.291 -18.383) 18.473 4.311 ( -4.004 -5.679 3.142) 7.626 4.440 ( 2.178 -4.858 1.087) 5.434 4.460 ( -5.905 -3.332 -4.219) 7.986 4.552 ( -0.134 -2.142 -0.465) 2.196 4.631 ( -4.105 -9.522 2.401) 10.643 4.740 ( 6.047 -1.575 -0.432) 6.264 4.791 ( 5.413 0.330 5.912) 8.023 4.851 ( 0.675 0.931 2.182) 2.467 4.917 ( -6.147 -0.749 4.480) 7.643 5.143 ( 2.894 3.100 7.341) 8.478 5.416 ( 2.238 5.855 -12.131) 13.655 5.592 ( -3.051 3.866 -21.783) 22.333 5.617 ( 1.320 6.075 6.895) 9.283 5.711 ( 2.601 1.663 6.783) 7.453 5.843 ( 3.349 6.987 -2.949) 8.290 5.990 ( -0.313 4.280 -9.705) 10.612 6.021 ( 0.863 6.569 -5.692) 8.735 6.166 ( 5.548 8.480 -21.807) 24.046 6.820 ( 0.179 4.775 15.329) 16.056 6.965 ( 2.675 1.080 -1.063) 3.074 8.503 ( -5.941 -5.429 22.271) 23.681 8.674 ( 5.301 -7.151 10.570) 13.818 8.888 ( -2.496 -3.816 -0.979) 4.663 9.139 ( 2.139 7.537 15.559) 17.420 9.297 ( -4.846 1.837 -16.062) 16.877 9.431 ( 2.417 -1.605 -8.552) 9.031 9.617 ( 0.859 -3.936 13.385) 13.978 9.971 ( -2.372 -8.214 -12.194) 14.892 10.091 ( -0.097 2.465 2.290) 3.366 10.200 ( -1.257 -2.379 -7.697) 8.154 10.704 ( -5.719 1.403 2.973) 6.597 10.805 ( -1.957 -4.878 -10.327) 11.588 11.014 ( 5.065 -1.170 0.876) 5.272 11.146 ( -2.834 2.398 -5.946) 7.010 11.293 ( 5.472 1.904 4.361) 7.252 11.445 ( -0.604 4.935 -3.891) 6.313 12.716 ( -0.160 1.930 15.818) 15.936 12.958 ( 1.852 0.692 -7.865) 8.110 16.951 ( -1.008 -6.161 13.946) 15.280 16.974 ( -0.689 -6.082 10.433) 12.096 17.134 ( -6.062 -3.749 7.457) 10.316 17.312 ( -4.089 -5.297 -14.175) 15.675 17.471 ( 6.880 -3.401 -10.482) 12.991 17.685 ( -6.406 2.607 -12.964) 14.693 18.224 ( 0.957 -1.501 7.321) 7.534 18.370 ( -0.557 -1.389 -4.312) 4.565 18.611 ( 1.347 -1.554 1.888) 2.792 18.668 ( -2.381 4.255 2.917) 5.682 18.820 ( -0.307 5.228 4.192) 6.708 18.862 ( 4.888 1.025 -4.481) 6.710 ======================= Grid point 173 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 7.923 -18.041 -4.417) 20.193 2.306 ( -19.585 -2.159 4.417) 20.193 2.451 ( 3.243 -18.073 -17.705) 25.507 2.451 ( -17.273 -6.228 17.705) 25.507 3.101 ( -2.310 6.094 -1.865) 6.779 3.101 ( 6.433 1.047 1.865) 6.779 3.350 ( 2.216 4.435 -4.559) 6.735 3.350 ( 2.733 4.136 4.559) 6.735 3.426 ( 4.901 -8.043 -8.413) 12.628 3.426 ( -9.415 0.223 8.413) 12.628 3.595 ( 6.667 2.330 -8.002) 10.673 3.595 ( -1.316 6.939 8.002) 10.673 3.865 ( -2.179 5.419 -2.877) 6.511 3.865 ( 5.783 0.823 2.877) 6.511 4.023 ( 1.520 0.206 -9.336) 9.461 4.023 ( -0.582 1.420 9.336) 9.461 4.283 ( -3.709 -5.531 -6.853) 9.556 4.283 ( -2.935 -5.978 6.853) 9.556 4.458 ( -2.165 -2.891 -5.105) 6.254 4.458 ( -1.421 -3.321 5.105) 6.254 4.695 ( 0.933 0.144 -14.180) 14.212 4.695 ( -0.342 0.880 14.180) 14.212 4.862 ( 3.375 -1.902 -5.059) 6.372 4.862 ( -3.335 1.972 5.059) 6.372 5.090 ( -1.453 3.250 -23.197) 23.469 5.090 ( 3.541 0.367 23.197) 23.469 5.425 ( 4.421 1.635 -12.640) 13.490 5.425 ( -0.795 4.647 12.640) 13.490 5.800 ( 2.083 3.997 -11.147) 12.024 5.800 ( 2.420 3.802 11.147) 12.024 5.902 ( -1.744 5.668 -10.140) 11.746 5.902 ( 5.780 1.324 10.140) 11.746 6.148 ( 5.280 7.837 -9.565) 13.446 6.148 ( 4.147 8.492 9.565) 13.446 6.979 ( 4.651 1.224 -7.489) 8.900 6.979 ( -1.266 4.640 7.489) 8.900 8.577 ( -3.734 -5.376 -11.090) 12.877 8.577 ( -2.789 -5.922 11.090) 12.877 9.020 ( -6.376 -0.314 -17.221) 18.366 9.020 ( 2.916 -5.679 17.221) 18.366 9.373 ( 0.528 2.555 -5.609) 6.186 9.373 ( 1.949 1.735 5.609) 6.186 9.727 ( -1.451 -3.374 -11.678) 12.242 9.727 ( -2.197 -2.943 11.678) 12.242 10.127 ( 1.161 0.282 -1.836) 2.191 10.127 ( -0.337 1.147 1.836) 2.191 10.673 ( -0.325 -4.086 -3.519) 5.403 10.673 ( -3.377 -2.324 3.519) 5.403 11.092 ( 2.950 0.705 -3.859) 4.909 11.092 ( -0.864 2.908 3.859) 4.909 11.418 ( 0.126 2.668 -4.992) 5.662 11.418 ( 2.248 1.443 4.992) 5.662 12.879 ( 2.641 0.006 -12.348) 12.628 12.879 ( -1.315 2.291 12.348) 12.628 16.994 ( -1.626 -7.194 -2.574) 7.811 16.994 ( -5.417 -5.005 2.574) 7.811 17.068 ( -2.635 -5.400 -10.626) 12.207 17.068 ( -3.359 -4.982 10.626) 12.207 17.508 ( -5.349 2.199 -3.812) 6.927 17.508 ( 4.579 -3.532 3.812) 6.927 18.300 ( 0.386 -0.315 -6.094) 6.115 18.300 ( -0.466 0.177 6.094) 6.115 18.653 ( -0.751 0.955 -2.487) 2.768 18.653 ( 1.203 -0.173 2.487) 2.768 18.897 ( 6.010 0.662 -4.465) 7.516 18.897 ( -2.431 5.536 4.465) 7.516 ======================= Grid point 181 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -20.806 -2.839) 20.999 2.403 ( 0.000 -21.973 -15.842) 27.088 2.699 ( -0.000 -1.454 0.311) 1.487 2.709 ( -0.000 -3.621 13.033) 13.526 2.988 ( -0.000 -5.368 15.395) 16.304 3.088 ( -0.000 3.244 8.083) 8.710 3.299 ( -0.000 6.973 2.628) 7.451 3.314 ( 0.000 -4.437 -7.398) 8.627 3.362 ( -0.000 0.760 1.337) 1.538 3.376 ( 0.000 4.153 -5.426) 6.833 3.595 ( 0.000 4.573 -1.030) 4.688 3.671 ( -0.000 6.257 9.102) 11.046 3.828 ( -0.000 1.296 9.969) 10.053 3.880 ( 0.000 7.123 -7.870) 10.615 3.966 ( 0.000 1.680 -22.418) 22.481 4.046 ( -0.000 3.593 0.789) 3.678 4.249 ( 0.000 -11.024 -2.717) 11.354 4.416 ( 0.000 -4.629 -0.412) 4.647 4.456 ( -0.000 -6.226 1.063) 6.316 4.488 ( -0.000 -3.602 4.399) 5.685 4.619 ( 0.000 -4.811 -3.054) 5.699 4.746 ( -0.000 -1.705 6.319) 6.545 4.782 ( -0.000 2.629 4.805) 5.477 4.897 ( -0.000 2.938 0.380) 2.962 5.104 ( -0.000 -3.151 18.491) 18.757 5.123 ( 0.000 -1.373 -10.165) 10.257 5.405 ( 0.000 10.215 -19.875) 22.347 5.405 ( -0.000 7.947 5.617) 9.731 5.708 ( 0.000 2.217 -3.045) 3.767 5.814 ( -0.000 0.225 12.608) 12.610 5.834 ( 0.000 7.972 -2.131) 8.252 5.949 ( 0.000 6.687 -6.654) 9.433 6.012 ( 0.000 9.519 -5.135) 10.816 6.094 ( -0.000 8.413 6.279) 10.497 6.913 ( 0.000 1.305 -6.863) 6.986 6.997 ( -0.000 5.991 8.629) 10.505 8.619 ( -0.000 -9.792 5.991) 11.479 8.632 ( 0.000 -5.978 -10.360) 11.960 8.964 ( -0.000 -2.279 20.339) 20.467 9.169 ( 0.000 0.591 -16.139) 16.150 9.306 ( 0.000 5.834 -8.860) 10.608 9.336 ( -0.000 4.650 9.889) 10.928 9.686 ( -0.000 -10.707 2.072) 10.906 9.871 ( -0.000 -1.898 6.121) 6.408 10.062 ( 0.000 -3.141 -5.706) 6.514 10.125 ( 0.000 -2.036 -5.165) 5.552 10.689 ( 0.000 0.561 -5.433) 5.462 10.860 ( -0.000 2.383 8.949) 9.261 10.889 ( 0.000 -4.699 -5.771) 7.442 11.201 ( -0.000 2.468 1.340) 2.808 11.282 ( -0.000 0.134 2.225) 2.229 11.454 ( 0.000 4.602 -2.025) 5.027 12.843 ( 0.000 -0.091 -11.229) 11.230 12.896 ( -0.000 3.211 12.757) 13.155 16.988 ( -0.000 -8.518 0.795) 8.555 17.031 ( -0.000 -10.191 4.548) 11.160 17.139 ( 0.000 -1.978 -2.288) 3.024 17.208 ( 0.000 -3.181 -14.925) 15.260 17.343 ( -0.000 -6.069 12.451) 13.852 17.658 ( 0.000 5.734 -4.972) 7.589 18.239 ( -0.000 -3.418 0.535) 3.460 18.355 ( -0.000 0.807 0.801) 1.137 18.576 ( 0.000 -1.787 -1.511) 2.340 18.755 ( 0.000 -0.059 -6.766) 6.766 18.757 ( -0.000 2.637 2.448) 3.598 18.931 ( -0.000 6.498 5.354) 8.419 ======================= Grid point 228 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -0.000 0.000 10.058) 10.058 2.503 ( -0.000 0.000 10.058) 10.058 2.549 ( -0.000 0.000 18.847) 18.847 2.549 ( -0.000 0.000 18.847) 18.847 2.701 ( -0.000 0.000 15.384) 15.384 3.033 ( -0.000 0.000 2.205) 2.205 3.033 ( 0.000 -0.000 2.205) 2.205 3.161 ( -0.000 0.000 1.207) 1.207 3.332 ( 0.000 0.000 -2.317) 2.317 3.332 ( 0.000 -0.000 -2.317) 2.317 3.561 ( 0.000 -0.000 -10.380) 10.380 3.628 ( 0.000 -0.000 -4.329) 4.329 3.628 ( 0.000 -0.000 -4.329) 4.329 3.907 ( 0.000 0.000 0.106) 0.106 3.907 ( 0.000 -0.000 0.106) 0.106 4.371 ( -0.000 0.000 3.590) 3.590 4.403 ( -0.000 0.000 5.522) 5.522 4.403 ( -0.000 0.000 5.522) 5.522 4.596 ( -0.000 0.000 0.096) 0.096 4.596 ( 0.000 -0.000 0.096) 0.096 4.662 ( -0.000 0.000 8.335) 8.335 4.699 ( -0.000 0.000 0.868) 0.868 4.748 ( 0.000 -0.000 -4.009) 4.009 4.748 ( 0.000 -0.000 -4.009) 4.009 5.118 ( -0.000 0.000 -1.559) 1.559 5.118 ( 0.000 -0.000 -1.559) 1.559 5.388 ( 0.000 -0.000 -9.548) 9.548 5.388 ( 0.000 -0.000 -9.548) 9.548 5.530 ( -0.000 0.000 4.491) 4.491 5.610 ( -0.000 0.000 0.591) 0.591 6.082 ( 0.000 -0.000 -12.771) 12.771 6.117 ( 0.000 -0.000 -8.614) 8.614 6.340 ( -0.000 0.000 12.299) 12.299 6.553 ( 0.000 -0.000 -34.856) 34.856 6.553 ( 0.000 -0.000 -34.856) 34.856 6.877 ( -0.000 0.000 3.232) 3.232 8.078 ( -0.000 0.000 29.030) 29.030 8.078 ( -0.000 0.000 29.030) 29.030 8.719 ( -0.000 0.000 9.155) 9.155 9.226 ( 0.000 -0.000 -3.069) 3.069 9.357 ( -0.000 0.000 5.839) 5.839 9.357 ( -0.000 0.000 5.839) 5.839 9.918 ( 0.000 -0.000 -8.496) 8.496 9.918 ( 0.000 -0.000 -8.496) 8.496 10.514 ( 0.000 -0.000 -8.324) 8.324 10.514 ( 0.000 -0.000 -8.324) 8.324 10.633 ( 0.000 -0.000 -3.140) 3.140 10.924 ( -0.000 0.000 6.899) 6.899 10.924 ( -0.000 0.000 6.899) 6.899 11.284 ( -0.000 0.000 -2.724) 2.724 11.284 ( 0.000 -0.000 -2.724) 2.724 11.482 ( 0.000 -0.000 -16.206) 16.206 12.289 ( -0.000 0.000 15.276) 15.276 12.985 ( 0.000 -0.000 -0.123) 0.123 16.822 ( -0.000 0.000 10.059) 10.059 16.822 ( -0.000 0.000 10.059) 10.059 16.965 ( -0.000 0.000 10.113) 10.113 17.810 ( 0.000 -0.000 -10.691) 10.691 17.810 ( 0.000 -0.000 -10.691) 10.691 18.074 ( 0.000 -0.000 -16.932) 16.932 18.142 ( -0.000 0.000 11.805) 11.805 18.142 ( -0.000 0.000 11.805) 11.805 18.598 ( -0.000 0.000 -0.783) 0.783 18.598 ( 0.000 -0.000 -0.783) 0.783 18.623 ( -0.000 0.000 2.041) 2.041 18.886 ( 0.000 -0.000 -2.263) 2.263 ======================= Grid point 229 (61/65) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -13.213 -7.628 20.840) 25.828 2.634 ( -4.515 -2.607 14.017) 14.955 2.706 ( -5.198 -3.001 4.947) 7.778 2.813 ( 4.056 2.342 10.841) 11.809 2.958 ( 0.159 0.092 7.126) 7.128 2.974 ( 3.914 2.260 19.616) 20.130 3.203 ( 1.208 0.698 1.242) 1.868 3.215 ( 8.973 5.180 4.239) 11.195 3.271 ( -0.846 -0.488 -2.017) 2.241 3.318 ( -1.122 -0.648 -4.523) 4.705 3.485 ( 2.187 1.263 -7.084) 7.521 3.491 ( -4.743 -2.738 0.780) 5.532 3.672 ( 4.203 2.427 -1.522) 5.086 3.848 ( -1.353 -0.781 -0.558) 1.659 3.918 ( 0.265 0.153 -6.891) 6.898 4.331 ( 2.922 1.687 -17.234) 17.562 4.423 ( -7.428 -4.288 4.961) 9.908 4.465 ( 0.180 0.104 8.535) 8.538 4.554 ( -4.836 -2.792 5.883) 8.111 4.559 ( -2.778 -1.604 2.317) 3.957 4.682 ( -1.240 -0.716 2.222) 2.643 4.733 ( 1.067 0.616 -1.275) 1.773 4.796 ( 5.131 2.962 2.946) 6.617 4.822 ( 5.179 2.990 1.564) 6.181 4.933 ( -8.592 -4.960 2.844) 10.320 5.166 ( -5.846 -3.375 -10.827) 12.759 5.300 ( 9.746 5.627 -3.059) 11.662 5.410 ( 6.642 3.835 -2.647) 8.114 5.576 ( 0.843 0.487 5.302) 5.390 5.659 ( 3.365 1.943 2.210) 4.470 5.978 ( 2.409 1.391 -10.236) 10.607 5.981 ( -4.855 -2.803 -23.223) 23.890 6.083 ( 0.210 0.121 -23.201) 23.203 6.275 ( 7.401 4.273 -34.950) 35.980 6.541 ( 1.774 1.024 17.918) 18.034 6.920 ( 1.575 0.909 2.043) 2.735 8.315 ( -5.547 -3.203 30.900) 31.557 8.510 ( 6.439 3.718 27.281) 28.276 8.825 ( 0.599 0.346 9.672) 9.697 9.112 ( -6.580 -3.799 -5.219) 9.218 9.367 ( 0.216 0.125 -5.948) 5.953 9.432 ( 5.942 3.431 -4.425) 8.165 9.758 ( -7.151 -4.128 2.199) 8.545 9.945 ( 2.592 1.496 0.330) 3.011 10.358 ( -2.825 -1.631 -12.502) 12.921 10.371 ( -4.729 -2.730 -9.172) 10.674 10.638 ( 0.351 0.203 0.221) 0.461 10.910 ( -4.624 -2.670 7.444) 9.161 11.107 ( 6.069 3.504 5.773) 9.080 11.193 ( -1.129 -0.652 -3.457) 3.695 11.228 ( -1.793 -1.035 -18.423) 18.539 11.343 ( 4.566 2.636 -6.626) 8.467 12.493 ( 0.684 0.395 18.150) 18.167 12.982 ( 1.694 0.978 -3.396) 3.919 16.930 ( -1.927 -1.113 12.444) 12.642 16.933 ( -2.219 -1.281 13.376) 13.619 17.082 ( -2.142 -1.236 12.840) 13.076 17.621 ( -4.103 -2.369 -15.776) 16.472 17.667 ( 0.946 0.546 -13.634) 13.677 17.858 ( -2.709 -1.564 -17.516) 17.793 18.188 ( -3.711 -2.143 11.977) 12.720 18.386 ( 5.428 3.134 10.268) 12.030 18.498 ( -3.817 -2.204 -3.137) 5.410 18.648 ( -0.659 -0.380 3.669) 3.747 18.675 ( 4.884 2.820 -1.520) 5.841 18.868 ( 2.131 1.230 -3.840) 4.560 ======================= Grid point 230 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -13.695 -7.907 22.861) 27.798 2.482 ( -18.103 -10.452 1.231) 20.940 2.694 ( -2.684 -1.550 7.468) 8.086 2.874 ( -0.932 -0.538 -6.118) 6.212 3.122 ( 2.670 1.542 2.728) 4.117 3.167 ( -1.682 -0.971 -7.106) 7.366 3.210 ( 2.567 1.482 -1.670) 3.402 3.238 ( 3.221 1.860 14.763) 15.224 3.273 ( 2.200 1.270 1.341) 2.872 3.331 ( -3.681 -2.125 1.889) 4.652 3.517 ( 4.526 2.613 0.021) 5.226 3.606 ( 8.686 5.015 12.895) 16.336 3.716 ( 4.837 2.793 -9.029) 10.617 3.835 ( -0.145 -0.084 1.514) 1.524 3.838 ( 0.847 0.489 -3.319) 3.460 4.147 ( 1.168 0.674 -19.194) 19.241 4.342 ( -9.145 -5.280 7.415) 12.903 4.472 ( -2.332 -1.346 -0.543) 2.747 4.531 ( -6.585 -3.802 8.517) 11.417 4.569 ( -1.522 -0.879 -0.733) 1.904 4.698 ( -4.727 -2.729 -1.851) 5.763 4.727 ( 1.462 0.844 5.636) 5.883 4.805 ( -2.571 -1.484 0.594) 3.028 4.908 ( 2.314 1.336 -8.840) 9.235 4.967 ( 2.710 1.565 11.847) 12.254 5.100 ( 3.983 2.300 10.587) 11.543 5.377 ( 7.941 4.585 -8.778) 12.694 5.488 ( -6.848 -3.953 -30.321) 31.335 5.547 ( 4.270 2.465 8.186) 9.556 5.707 ( 4.818 2.782 7.797) 9.579 5.806 ( 6.825 3.941 2.103) 8.157 5.909 ( 3.565 2.059 -12.485) 13.146 5.961 ( 1.878 1.084 -12.141) 12.333 6.091 ( 9.844 5.683 -22.438) 25.153 6.763 ( 2.165 1.250 14.459) 14.673 6.972 ( 3.838 2.216 -1.757) 4.768 8.529 ( -6.317 -3.647 24.907) 25.953 8.808 ( -4.820 -2.783 4.488) 7.150 8.971 ( 2.160 1.247 12.756) 12.997 9.006 ( 3.672 2.120 11.217) 11.992 9.226 ( -1.105 -0.638 -17.707) 17.753 9.422 ( 5.662 3.269 -15.124) 16.477 9.732 ( -7.090 -4.094 13.395) 15.699 10.009 ( -0.560 -0.323 7.305) 7.334 10.121 ( -4.865 -2.809 -18.200) 19.048 10.197 ( -5.180 -2.991 -4.858) 7.705 10.646 ( -1.123 -0.648 3.458) 3.693 10.906 ( -4.649 -2.684 5.902) 7.978 10.990 ( -0.507 -0.293 -16.799) 16.810 11.175 ( 2.745 1.585 -2.783) 4.219 11.258 ( 2.904 1.676 4.062) 5.267 11.367 ( 4.899 2.828 -3.148) 6.474 12.691 ( 0.678 0.392 14.988) 15.008 12.961 ( 2.678 1.546 -7.753) 8.346 17.025 ( -3.763 -2.173 13.401) 14.088 17.034 ( -5.061 -2.922 14.340) 15.485 17.142 ( -5.022 -2.900 9.342) 10.995 17.352 ( -6.012 -3.471 -15.845) 17.299 17.583 ( 4.595 2.653 -7.991) 9.592 17.600 ( -4.992 -2.882 -16.277) 17.268 18.247 ( -2.751 -1.588 7.878) 8.495 18.400 ( -1.613 -0.931 -5.288) 5.607 18.541 ( 1.278 0.738 6.396) 6.564 18.689 ( -0.488 -0.282 5.703) 5.731 18.728 ( 3.664 2.115 -2.252) 4.792 18.886 ( 5.211 3.009 -4.536) 7.535 ======================= Grid point 237 (63/65) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.000 -6.250 14.776) 16.043 2.706 ( 0.000 -12.488 6.668) 14.157 2.776 ( -0.000 -4.151 6.983) 8.124 2.889 ( 0.000 2.354 0.426) 2.393 3.061 ( -0.000 -2.732 9.589) 9.971 3.125 ( 0.000 -6.803 0.990) 6.875 3.176 ( 0.000 -3.941 5.220) 6.540 3.272 ( -0.000 6.100 5.929) 8.507 3.282 ( 0.000 2.693 11.103) 11.425 3.342 ( -0.000 4.756 -0.182) 4.760 3.392 ( 0.000 4.443 -4.691) 6.460 3.496 ( 0.000 -7.052 1.385) 7.186 3.683 ( 0.000 3.430 4.826) 5.921 3.782 ( 0.000 -0.520 -7.645) 7.663 3.885 ( -0.000 6.317 -6.409) 8.998 4.072 ( 0.000 8.335 -27.332) 28.574 4.511 ( 0.000 -4.499 4.450) 6.328 4.542 ( 0.000 -8.247 8.235) 11.655 4.580 ( 0.000 -1.462 0.197) 1.475 4.603 ( -0.000 -0.562 1.475) 1.578 4.714 ( 0.000 1.198 2.632) 2.892 4.738 ( 0.000 -3.394 5.421) 6.396 4.781 ( 0.000 -0.615 2.187) 2.272 4.944 ( 0.000 -9.153 -5.778) 10.825 4.946 ( -0.000 10.864 11.551) 15.857 5.112 ( 0.000 -9.194 7.971) 12.168 5.220 ( 0.000 8.489 -9.647) 12.850 5.430 ( 0.000 9.470 7.107) 11.840 5.615 ( 0.000 -3.352 -11.170) 11.662 5.688 ( 0.000 2.810 1.921) 3.404 5.694 ( -0.000 -0.413 -14.030) 14.036 5.864 ( 0.000 6.150 -22.608) 23.430 5.883 ( 0.000 3.535 -7.654) 8.431 5.947 ( 0.000 6.190 -16.601) 17.718 6.732 ( 0.000 2.301 14.984) 15.160 6.916 ( 0.000 1.330 -2.218) 2.586 8.671 ( 0.000 -3.607 29.174) 29.396 8.740 ( 0.000 -2.691 19.493) 19.678 8.956 ( 0.000 4.770 13.327) 14.155 9.042 ( 0.000 -6.586 -8.805) 10.996 9.277 ( -0.000 4.441 -15.414) 16.041 9.278 ( 0.000 4.322 -15.962) 16.537 9.840 ( 0.000 -9.003 14.038) 16.677 10.018 ( 0.000 3.984 8.390) 9.288 10.180 ( 0.000 -7.088 -13.922) 15.623 10.266 ( 0.000 -1.001 -12.763) 12.802 10.698 ( 0.000 1.523 7.475) 7.629 10.952 ( 0.000 -6.385 -10.840) 12.580 11.041 ( 0.000 -2.246 -0.230) 2.257 11.140 ( 0.000 -0.876 -6.937) 6.993 11.159 ( -0.000 4.867 5.861) 7.618 11.302 ( 0.000 7.235 -4.576) 8.560 12.680 ( 0.000 0.952 15.171) 15.201 12.922 ( 0.000 0.998 -6.915) 6.987 17.077 ( 0.000 -3.707 15.192) 15.638 17.093 ( 0.000 -2.985 14.590) 14.892 17.246 ( 0.000 -2.313 13.872) 14.064 17.460 ( -0.000 -2.512 -14.324) 14.542 17.469 ( 0.000 -1.892 -16.668) 16.775 17.677 ( 0.000 1.095 -17.711) 17.745 18.298 ( 0.000 -5.496 9.326) 10.825 18.456 ( 0.000 -5.243 -4.338) 6.805 18.513 ( 0.000 8.117 8.661) 11.870 18.625 ( 0.000 2.418 -3.353) 4.134 18.712 ( 0.000 3.024 4.218) 5.190 18.809 ( 0.000 0.633 -4.960) 5.000 ======================= Grid point 239 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -14.920 -6.218 -0.839) 16.185 2.650 ( 2.075 -16.030 0.839) 16.185 2.767 ( -1.951 -7.534 -14.768) 16.693 2.767 ( -5.549 -5.456 14.768) 16.693 3.113 ( -2.686 -2.760 -4.151) 5.662 3.113 ( -1.047 -3.706 4.151) 5.662 3.220 ( -2.262 3.514 -4.558) 6.184 3.220 ( 4.174 -0.202 4.558) 6.184 3.415 ( 5.807 3.062 -2.276) 6.948 3.415 ( -0.252 6.560 2.276) 6.948 3.481 ( 5.737 -2.029 -4.460) 7.544 3.481 ( -4.625 3.954 4.460) 7.544 3.749 ( 4.461 1.948 -5.014) 6.988 3.749 ( -0.543 4.837 5.014) 6.988 3.936 ( 5.126 4.534 -11.610) 13.477 3.936 ( 1.364 6.706 11.610) 13.477 4.494 ( -3.894 -6.660 -5.494) 9.471 4.494 ( -3.821 -6.702 5.494) 9.471 4.549 ( -2.901 -2.438 -4.344) 5.765 4.549 ( -0.661 -3.732 4.344) 5.765 4.745 ( -0.386 -2.792 -3.926) 4.833 4.745 ( -2.225 -1.731 3.926) 4.833 4.828 ( -0.755 1.210 -4.304) 4.534 4.828 ( 1.425 -0.049 4.304) 4.534 5.126 ( 2.186 -2.939 -17.305) 17.689 5.126 ( -3.638 0.423 17.305) 17.689 5.290 ( 0.305 3.651 -18.193) 18.559 5.290 ( 3.009 2.090 18.193) 18.559 5.650 ( 3.596 5.063 -13.661) 15.006 5.650 ( 2.586 5.646 13.661) 15.006 5.793 ( 1.083 5.688 -6.678) 8.839 5.793 ( 4.385 3.782 6.678) 8.839 5.901 ( 4.598 5.459 -2.787) 7.662 5.901 ( 2.429 6.711 2.787) 7.662 6.889 ( 2.460 2.076 -8.210) 8.819 6.889 ( 0.568 3.168 8.210) 8.819 8.791 ( -3.352 -8.513 -11.769) 14.907 8.791 ( -5.697 -7.159 11.769) 14.907 9.044 ( -4.742 4.299 -18.244) 19.334 9.044 ( 6.094 -1.957 18.244) 19.334 9.204 ( 5.666 5.198 -16.155) 17.891 9.204 ( 1.668 7.505 16.155) 17.891 9.930 ( -4.052 -7.466 -16.875) 18.893 9.930 ( -4.440 -7.242 16.875) 18.893 10.131 ( 0.880 -0.754 -9.221) 9.294 10.131 ( -1.093 0.385 9.221) 9.294 10.772 ( 2.076 -5.255 -10.984) 12.352 10.772 ( -5.589 -0.829 10.984) 12.352 11.061 ( 3.044 -2.081 -4.881) 6.118 11.061 ( -3.324 1.596 4.881) 6.118 11.305 ( 0.909 6.202 -5.164) 8.121 11.305 ( 4.917 3.888 5.164) 8.121 12.839 ( 1.280 0.959 -11.279) 11.392 12.839 ( 0.191 1.588 11.279) 11.392 17.177 ( -4.806 -4.755 -4.833) 8.310 17.177 ( -1.715 -6.539 4.833) 8.310 17.225 ( -5.242 -2.761 -9.332) 11.054 17.225 ( 0.230 -5.921 9.332) 11.054 17.502 ( -4.497 4.169 -9.782) 11.545 17.502 ( 5.859 -1.810 9.782) 11.545 18.341 ( -2.177 -2.860 -6.671) 7.578 18.341 ( -1.388 -3.315 6.671) 7.578 18.630 ( 4.519 0.456 -4.109) 6.125 18.630 ( -1.865 4.142 4.109) 6.125 18.786 ( 4.303 1.687 -4.843) 6.694 18.786 ( -0.691 4.570 4.843) 6.694 ======================= Grid point 316 (65/65) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.39e-05 3.39e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 0.000 -0.675 -2.624) 2.709 2.851 ( 0.000 0.675 -2.624) 2.709 2.851 ( -0.000 -0.675 2.624) 2.709 2.851 ( -0.000 0.675 2.624) 2.709 3.193 ( 0.000 -4.184 -6.918) 8.084 3.193 ( 0.000 4.184 -6.918) 8.084 3.193 ( -0.000 -4.184 6.918) 8.084 3.193 ( -0.000 4.184 6.918) 8.084 3.276 ( 0.000 0.000 -6.057) 6.057 3.276 ( -0.000 0.000 6.057) 6.057 3.622 ( 0.000 -0.000 -33.931) 33.931 3.622 ( -0.000 0.000 33.931) 33.931 3.705 ( 0.000 -2.903 -9.624) 10.053 3.705 ( 0.000 2.903 -9.624) 10.053 3.705 ( -0.000 -2.903 9.624) 10.053 3.705 ( -0.000 2.903 9.624) 10.053 4.598 ( 0.000 -2.024 -1.465) 2.499 4.598 ( -0.000 -2.024 1.465) 2.499 4.598 ( 0.000 2.024 -1.465) 2.499 4.598 ( -0.000 2.024 1.465) 2.499 4.803 ( 0.000 0.000 -0.719) 0.719 4.803 ( -0.000 -0.000 0.719) 0.719 4.940 ( 0.000 -8.286 -15.406) 17.493 4.940 ( 0.000 8.286 -15.406) 17.493 4.940 ( -0.000 -8.286 15.406) 17.493 4.940 ( -0.000 8.286 15.406) 17.493 5.445 ( 0.000 -8.296 -22.662) 24.132 5.445 ( 0.000 8.296 -22.662) 24.132 5.445 ( -0.000 -8.296 22.662) 24.132 5.445 ( -0.000 8.296 22.662) 24.132 5.700 ( 0.000 0.000 -0.405) 0.405 5.700 ( -0.000 0.000 0.405) 0.405 5.815 ( 0.000 0.000 -2.892) 2.892 5.815 ( -0.000 0.000 2.892) 2.892 6.845 ( 0.000 0.000 -8.483) 8.483 6.845 ( -0.000 0.000 8.483) 8.483 9.009 ( 0.000 -2.062 -23.219) 23.310 9.009 ( 0.000 2.062 -23.219) 23.310 9.009 ( -0.000 -2.062 23.219) 23.310 9.009 ( -0.000 2.062 23.219) 23.310 9.024 ( 0.000 0.000 -8.593) 8.593 9.024 ( -0.000 0.000 8.593) 8.593 10.094 ( 0.000 -3.279 -14.292) 14.664 10.094 ( 0.000 3.279 -14.292) 14.664 10.094 ( -0.000 -3.279 14.292) 14.664 10.094 ( -0.000 3.279 14.292) 14.664 10.821 ( 0.000 0.000 -14.995) 14.995 10.821 ( -0.000 0.000 14.995) 14.995 11.143 ( 0.000 -5.079 -5.646) 7.594 11.143 ( 0.000 5.079 -5.646) 7.594 11.143 ( -0.000 -5.079 5.646) 7.594 11.143 ( -0.000 5.079 5.646) 7.594 12.817 ( 0.000 0.000 -10.811) 10.811 12.817 ( -0.000 0.000 10.811) 10.811 17.290 ( 0.000 -0.691 -16.798) 16.812 17.290 ( 0.000 0.691 -16.798) 16.812 17.290 ( -0.000 -0.691 16.798) 16.812 17.290 ( -0.000 0.691 16.798) 16.812 17.464 ( 0.000 0.000 -18.326) 18.326 17.464 ( -0.000 0.000 18.326) 18.326 18.486 ( 0.000 -6.100 -6.789) 9.126 18.486 ( 0.000 6.100 -6.789) 9.126 18.486 ( -0.000 -6.100 6.789) 9.126 18.486 ( -0.000 6.100 6.789) 9.126 18.749 ( 0.000 0.000 -4.903) 4.903 18.749 ( -0.000 0.000 4.903) 4.903 =================== 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 1715.387 1715.387 3318.205 0.000 -0.000 -0.000 3/33792 20.0 276.418 276.418 491.134 0.000 -0.000 -0.000 3/33792 30.0 74.423 74.423 120.716 0.000 -0.000 -0.000 3/33792 40.0 33.571 33.571 52.619 0.000 -0.000 -0.000 3/33792 50.0 19.809 19.809 30.901 0.000 -0.000 -0.000 3/33792 60.0 13.567 13.567 21.306 0.000 -0.000 -0.000 3/33792 70.0 10.167 10.167 16.130 0.000 -0.000 -0.000 3/33792 80.0 8.077 8.077 12.954 0.000 -0.000 -0.000 3/33792 90.0 6.682 6.682 10.829 0.000 -0.000 -0.000 3/33792 100.0 5.692 5.692 9.317 0.000 -0.000 -0.000 3/33792 110.0 4.959 4.959 8.191 0.000 -0.000 -0.000 3/33792 120.0 4.395 4.395 7.324 0.000 -0.000 -0.000 3/33792 130.0 3.950 3.950 6.636 0.000 -0.000 -0.000 3/33792 140.0 3.591 3.591 6.078 0.000 -0.000 -0.000 3/33792 150.0 3.294 3.294 5.617 0.000 -0.000 -0.000 3/33792 160.0 3.045 3.045 5.229 0.000 -0.000 -0.000 3/33792 170.0 2.834 2.834 4.898 0.000 -0.000 -0.000 3/33792 180.0 2.652 2.652 4.612 0.000 -0.000 -0.000 3/33792 190.0 2.494 2.494 4.363 0.000 -0.000 -0.000 3/33792 200.0 2.355 2.355 4.142 0.000 -0.000 -0.000 3/33792 210.0 2.232 2.232 3.946 0.000 -0.000 -0.000 3/33792 220.0 2.122 2.122 3.769 0.000 -0.000 -0.000 3/33792 230.0 2.023 2.023 3.610 0.000 -0.000 -0.000 3/33792 240.0 1.933 1.933 3.465 0.000 -0.000 -0.000 3/33792 250.0 1.852 1.852 3.332 0.000 -0.000 -0.000 3/33792 260.0 1.777 1.777 3.210 0.000 -0.000 -0.000 3/33792 270.0 1.709 1.709 3.098 0.000 -0.000 -0.000 3/33792 280.0 1.646 1.646 2.993 0.000 -0.000 -0.000 3/33792 290.0 1.588 1.588 2.896 0.000 -0.000 -0.000 3/33792 300.0 1.534 1.534 2.805 0.000 -0.000 -0.000 3/33792 310.0 1.483 1.483 2.720 0.000 -0.000 -0.000 3/33792 320.0 1.436 1.436 2.641 0.000 -0.000 -0.000 3/33792 330.0 1.392 1.392 2.566 0.000 -0.000 -0.000 3/33792 340.0 1.351 1.351 2.495 0.000 -0.000 -0.000 3/33792 350.0 1.312 1.312 2.428 0.000 -0.000 -0.000 3/33792 360.0 1.276 1.276 2.365 0.000 -0.000 -0.000 3/33792 370.0 1.241 1.241 2.305 0.000 -0.000 -0.000 3/33792 380.0 1.208 1.208 2.248 0.000 -0.000 -0.000 3/33792 390.0 1.177 1.177 2.194 0.000 -0.000 -0.000 3/33792 400.0 1.148 1.148 2.143 0.000 -0.000 -0.000 3/33792 410.0 1.120 1.120 2.093 0.000 -0.000 -0.000 3/33792 420.0 1.093 1.093 2.046 0.000 -0.000 -0.000 3/33792 430.0 1.068 1.068 2.002 0.000 -0.000 -0.000 3/33792 440.0 1.044 1.044 1.959 0.000 -0.000 -0.000 3/33792 450.0 1.021 1.021 1.917 0.000 -0.000 -0.000 3/33792 460.0 0.999 0.999 1.878 0.000 -0.000 -0.000 3/33792 470.0 0.978 0.978 1.840 0.000 -0.000 -0.000 3/33792 480.0 0.957 0.957 1.804 0.000 -0.000 -0.000 3/33792 490.0 0.938 0.938 1.769 0.000 -0.000 -0.000 3/33792 500.0 0.919 0.919 1.735 0.000 -0.000 -0.000 3/33792 510.0 0.901 0.901 1.703 0.000 -0.000 -0.000 3/33792 520.0 0.884 0.884 1.672 0.000 -0.000 -0.000 3/33792 530.0 0.868 0.868 1.641 0.000 -0.000 -0.000 3/33792 540.0 0.852 0.852 1.612 0.000 -0.000 -0.000 3/33792 550.0 0.836 0.836 1.584 0.000 -0.000 -0.000 3/33792 560.0 0.822 0.822 1.557 0.000 -0.000 -0.000 3/33792 570.0 0.807 0.807 1.531 0.000 -0.000 -0.000 3/33792 580.0 0.793 0.793 1.506 0.000 -0.000 -0.000 3/33792 590.0 0.780 0.780 1.481 0.000 -0.000 -0.000 3/33792 600.0 0.767 0.767 1.458 0.000 -0.000 -0.000 3/33792 610.0 0.755 0.755 1.435 0.000 -0.000 -0.000 3/33792 620.0 0.743 0.743 1.412 0.000 -0.000 -0.000 3/33792 630.0 0.731 0.731 1.391 0.000 -0.000 -0.000 3/33792 640.0 0.720 0.720 1.370 0.000 -0.000 -0.000 3/33792 650.0 0.709 0.709 1.349 0.000 -0.000 -0.000 3/33792 660.0 0.698 0.698 1.330 0.000 -0.000 -0.000 3/33792 670.0 0.688 0.688 1.310 0.000 -0.000 -0.000 3/33792 680.0 0.678 0.678 1.292 0.000 -0.000 -0.000 3/33792 690.0 0.668 0.668 1.274 0.000 -0.000 -0.000 3/33792 700.0 0.658 0.658 1.256 0.000 -0.000 -0.000 3/33792 710.0 0.649 0.649 1.239 0.000 -0.000 -0.000 3/33792 720.0 0.640 0.640 1.222 0.000 -0.000 -0.000 3/33792 730.0 0.631 0.631 1.206 0.000 -0.000 -0.000 3/33792 740.0 0.623 0.623 1.190 0.000 -0.000 -0.000 3/33792 750.0 0.615 0.615 1.175 0.000 -0.000 -0.000 3/33792 760.0 0.607 0.607 1.160 0.000 -0.000 -0.000 3/33792 770.0 0.599 0.599 1.145 0.000 -0.000 -0.000 3/33792 780.0 0.591 0.591 1.131 0.000 -0.000 -0.000 3/33792 790.0 0.584 0.584 1.117 0.000 -0.000 -0.000 3/33792 800.0 0.577 0.577 1.103 0.000 -0.000 -0.000 3/33792 810.0 0.569 0.569 1.090 0.000 -0.000 -0.000 3/33792 820.0 0.563 0.563 1.077 0.000 -0.000 -0.000 3/33792 830.0 0.556 0.556 1.064 0.000 -0.000 -0.000 3/33792 840.0 0.549 0.549 1.052 0.000 -0.000 -0.000 3/33792 850.0 0.543 0.543 1.040 0.000 -0.000 -0.000 3/33792 860.0 0.537 0.537 1.028 0.000 -0.000 -0.000 3/33792 870.0 0.530 0.530 1.016 0.000 -0.000 -0.000 3/33792 880.0 0.524 0.524 1.005 0.000 -0.000 -0.000 3/33792 890.0 0.519 0.519 0.994 0.000 -0.000 -0.000 3/33792 900.0 0.513 0.513 0.983 0.000 -0.000 -0.000 3/33792 910.0 0.507 0.507 0.973 0.000 -0.000 -0.000 3/33792 920.0 0.502 0.502 0.962 0.000 -0.000 -0.000 3/33792 930.0 0.496 0.496 0.952 0.000 -0.000 -0.000 3/33792 940.0 0.491 0.491 0.942 0.000 -0.000 -0.000 3/33792 950.0 0.486 0.486 0.933 0.000 -0.000 -0.000 3/33792 960.0 0.481 0.481 0.923 0.000 -0.000 -0.000 3/33792 970.0 0.476 0.476 0.914 0.000 -0.000 -0.000 3/33792 980.0 0.471 0.471 0.905 0.000 -0.000 -0.000 3/33792 990.0 0.466 0.466 0.896 0.000 -0.000 -0.000 3/33792 1000.0 0.462 0.462 0.887 0.000 -0.000 -0.000 3/33792 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:00:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|