----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:13:34]------------------------- 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: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.496392809778595 1.441293060728715 4.367200286666661 b -2.496392809778590 1.441293060728715 4.367200286666661 c 0.000000000000002 -2.882586121457435 4.367200286666661 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 F 0.88040335772760 0.22807989646868 0.66005282540964 18.998 3 F 0.22807989646868 0.66005282540964 0.88040335772760 18.998 4 F 0.66005282540964 0.88040335772760 0.22807989646868 18.998 5 F 0.77192010353132 0.33994717459036 0.11959664227240 18.998 6 F 0.33994717459036 0.11959664227240 0.77192010353132 18.998 7 F 0.11959664227240 0.77192010353132 0.33994717459036 18.998 *8 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.992785619557186 0.000000000000000 0.000000000000000 b -2.496392809778593 4.323879182186150 0.000000000000000 c 0.000000000000000 0.000000000000000 13.101600859999998 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 *4 F 0.95755799785896 0.26279253445900 0.92284535986864 18.998 > 2 5 F 0.30523453660004 0.04244200214104 0.92284535986864 18.998 > 3 6 F 0.73720746554100 0.69476546339996 0.92284535986864 18.998 > 4 7 F 0.02809879673329 0.62422466452563 0.74382130679803 18.998 > 5 8 F 0.59612586779233 0.97190120326671 0.74382130679803 18.998 > 6 9 F 0.37577533547437 0.40387413220767 0.74382130679803 18.998 > 7 10 F 0.62422466452563 0.59612586779233 0.25617869320197 18.998 > 2 11 F 0.97190120326671 0.37577533547437 0.25617869320197 18.998 > 3 12 F 0.40387413220767 0.02809879673329 0.25617869320197 18.998 > 4 13 F 0.69476546339996 0.95755799785896 0.07715464013136 18.998 > 5 14 F 0.26279253445900 0.30523453660004 0.07715464013136 18.998 > 6 15 F 0.04244200214104 0.73720746554100 0.07715464013136 18.998 > 7 16 F 0.29089133119229 0.92945920112567 0.58951202653531 18.998 > 2 17 F 0.63856786993337 0.70910866880770 0.58951202653531 18.998 > 3 18 F 0.07054079887433 0.36143213006663 0.58951202653531 18.998 > 4 19 F 0.36143213006663 0.29089133119229 0.41048797346469 18.998 > 5 20 F 0.92945920112567 0.63856786993337 0.41048797346469 18.998 > 6 21 F 0.70910866880770 0.07054079887433 0.41048797346469 18.998 > 7 *22 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 8 23 As 0.66666666666667 0.33333333333333 0.33333333333333 74.922 > 8 24 As 0.33333333333333 0.66666666666667 0.66666666666667 74.922 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.985571239114371 0.000000000000000 0.000000000000000 b -4.992785619557186 8.647758364372301 0.000000000000000 c 0.000000000000000 0.000000000000000 13.101600859999998 Atomic positions (fractional): *1 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 *13 F 0.47877899892948 0.13139626722950 0.92284535986864 18.998 > 2 14 F 0.97877899892948 0.13139626722950 0.92284535986864 18.998 > 2 15 F 0.47877899892948 0.63139626722950 0.92284535986864 18.998 > 2 16 F 0.97877899892948 0.63139626722950 0.92284535986864 18.998 > 2 17 F 0.15261726830002 0.02122100107052 0.92284535986864 18.998 > 3 18 F 0.65261726830002 0.02122100107052 0.92284535986864 18.998 > 3 19 F 0.15261726830002 0.52122100107052 0.92284535986864 18.998 > 3 20 F 0.65261726830002 0.52122100107052 0.92284535986864 18.998 > 3 21 F 0.36860373277050 0.34738273169998 0.92284535986864 18.998 > 4 22 F 0.86860373277050 0.34738273169998 0.92284535986864 18.998 > 4 23 F 0.36860373277050 0.84738273169998 0.92284535986864 18.998 > 4 24 F 0.86860373277050 0.84738273169998 0.92284535986864 18.998 > 4 25 F 0.01404939836665 0.31211233226281 0.74382130679803 18.998 > 5 26 F 0.51404939836665 0.31211233226281 0.74382130679803 18.998 > 5 27 F 0.01404939836665 0.81211233226281 0.74382130679803 18.998 > 5 28 F 0.51404939836665 0.81211233226281 0.74382130679803 18.998 > 5 29 F 0.29806293389617 0.48595060163335 0.74382130679803 18.998 > 6 30 F 0.79806293389617 0.48595060163335 0.74382130679803 18.998 > 6 31 F 0.29806293389617 0.98595060163335 0.74382130679803 18.998 > 6 32 F 0.79806293389617 0.98595060163335 0.74382130679803 18.998 > 6 33 F 0.18788766773719 0.20193706610383 0.74382130679803 18.998 > 7 34 F 0.68788766773719 0.20193706610383 0.74382130679803 18.998 > 7 35 F 0.18788766773719 0.70193706610383 0.74382130679803 18.998 > 7 36 F 0.68788766773719 0.70193706610383 0.74382130679803 18.998 > 7 37 F 0.31211233226281 0.29806293389617 0.25617869320197 18.998 > 2 38 F 0.81211233226281 0.29806293389617 0.25617869320197 18.998 > 2 39 F 0.31211233226281 0.79806293389617 0.25617869320197 18.998 > 2 40 F 0.81211233226281 0.79806293389617 0.25617869320197 18.998 > 2 41 F 0.48595060163335 0.18788766773719 0.25617869320197 18.998 > 3 42 F 0.98595060163335 0.18788766773719 0.25617869320197 18.998 > 3 43 F 0.48595060163335 0.68788766773719 0.25617869320197 18.998 > 3 44 F 0.98595060163335 0.68788766773719 0.25617869320197 18.998 > 3 45 F 0.20193706610383 0.01404939836665 0.25617869320197 18.998 > 4 46 F 0.70193706610383 0.01404939836665 0.25617869320197 18.998 > 4 47 F 0.20193706610383 0.51404939836665 0.25617869320197 18.998 > 4 48 F 0.70193706610383 0.51404939836665 0.25617869320197 18.998 > 4 49 F 0.34738273169998 0.47877899892948 0.07715464013136 18.998 > 5 50 F 0.84738273169998 0.47877899892948 0.07715464013136 18.998 > 5 51 F 0.34738273169998 0.97877899892948 0.07715464013136 18.998 > 5 52 F 0.84738273169998 0.97877899892948 0.07715464013136 18.998 > 5 53 F 0.13139626722950 0.15261726830002 0.07715464013136 18.998 > 6 54 F 0.63139626722950 0.15261726830002 0.07715464013136 18.998 > 6 55 F 0.13139626722950 0.65261726830002 0.07715464013136 18.998 > 6 56 F 0.63139626722950 0.65261726830002 0.07715464013136 18.998 > 6 57 F 0.02122100107052 0.36860373277050 0.07715464013136 18.998 > 7 58 F 0.52122100107052 0.36860373277050 0.07715464013136 18.998 > 7 59 F 0.02122100107052 0.86860373277050 0.07715464013136 18.998 > 7 60 F 0.52122100107052 0.86860373277050 0.07715464013136 18.998 > 7 61 F 0.14544566559615 0.46472960056283 0.58951202653531 18.998 > 2 62 F 0.64544566559615 0.46472960056283 0.58951202653531 18.998 > 2 63 F 0.14544566559615 0.96472960056283 0.58951202653531 18.998 > 2 64 F 0.64544566559615 0.96472960056283 0.58951202653531 18.998 > 2 65 F 0.31928393496669 0.35455433440385 0.58951202653531 18.998 > 3 66 F 0.81928393496669 0.35455433440385 0.58951202653531 18.998 > 3 67 F 0.31928393496669 0.85455433440385 0.58951202653531 18.998 > 3 68 F 0.81928393496669 0.85455433440385 0.58951202653531 18.998 > 3 69 F 0.03527039943717 0.18071606503331 0.58951202653531 18.998 > 4 70 F 0.53527039943717 0.18071606503331 0.58951202653531 18.998 > 4 71 F 0.03527039943717 0.68071606503331 0.58951202653531 18.998 > 4 72 F 0.53527039943717 0.68071606503331 0.58951202653531 18.998 > 4 73 F 0.18071606503331 0.14544566559615 0.41048797346469 18.998 > 5 74 F 0.68071606503331 0.14544566559615 0.41048797346469 18.998 > 5 75 F 0.18071606503331 0.64544566559615 0.41048797346469 18.998 > 5 76 F 0.68071606503331 0.64544566559615 0.41048797346469 18.998 > 5 77 F 0.46472960056283 0.31928393496669 0.41048797346469 18.998 > 6 78 F 0.96472960056283 0.31928393496669 0.41048797346469 18.998 > 6 79 F 0.46472960056283 0.81928393496669 0.41048797346469 18.998 > 6 80 F 0.96472960056283 0.81928393496669 0.41048797346469 18.998 > 6 81 F 0.35455433440385 0.03527039943717 0.41048797346469 18.998 > 7 82 F 0.85455433440385 0.03527039943717 0.41048797346469 18.998 > 7 83 F 0.35455433440385 0.53527039943717 0.41048797346469 18.998 > 7 84 F 0.85455433440385 0.53527039943717 0.41048797346469 18.998 > 7 *85 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 8 86 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 8 87 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 8 88 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 8 89 As 0.33333333333333 0.16666666666667 0.33333333333333 74.922 > 8 90 As 0.83333333333333 0.16666666666667 0.33333333333333 74.922 > 8 91 As 0.33333333333333 0.66666666666667 0.33333333333333 74.922 > 8 92 As 0.83333333333333 0.66666666666667 0.33333333333333 74.922 > 8 93 As 0.16666666666667 0.33333333333333 0.66666666666667 74.922 > 8 94 As 0.66666666666667 0.33333333333333 0.66666666666667 74.922 > 8 95 As 0.16666666666667 0.83333333333333 0.66666666666667 74.922 > 8 96 As 0.66666666666667 0.83333333333333 0.66666666666667 74.922 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0567996 -0.0000003 0.0000000 0.0000003 2.0567996 0.0000000 0.0000000 0.0000000 2.0615694 -------------------------- Born effective charges -------------------------- 1 Li 1.2103627 0.1368429 -0.0000000 -0.1368429 1.2103627 0.0000000 -0.0000000 0.0000000 1.2804546 2 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 3 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 4 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 5 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 6 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 7 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 8 As 3.8717644 -0.1123243 -0.0000000 0.1123243 3.8717644 0.0000000 -0.0000000 0.0000000 3.8241628 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.464 Solver_block: 160 / 160 - Time: 0.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.801 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 292 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:13:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:41]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.496392809778595 1.441293060728715 4.367200286666661 b -2.496392809778590 1.441293060728715 4.367200286666661 c 0.000000000000002 -2.882586121457435 4.367200286666661 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.88040335772760 0.22807989646868 0.66005282540964 18.998 3 F 0.22807989646868 0.66005282540964 0.88040335772760 18.998 4 F 0.66005282540964 0.88040335772760 0.22807989646868 18.998 5 F 0.77192010353132 0.33994717459036 0.11959664227240 18.998 6 F 0.33994717459036 0.11959664227240 0.77192010353132 18.998 7 F 0.11959664227240 0.77192010353132 0.33994717459036 18.998 8 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.985571239114371 0.000000000000000 0.000000000000000 b -4.992785619557186 8.647758364372301 0.000000000000000 c 0.000000000000000 0.000000000000000 13.101600859999998 Atomic positions (fractional): 1 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 13 F 0.47877899892948 0.13139626722950 0.92284535986864 18.998 > 13 14 F 0.97877899892948 0.13139626722950 0.92284535986864 18.998 > 13 15 F 0.47877899892948 0.63139626722950 0.92284535986864 18.998 > 13 16 F 0.97877899892948 0.63139626722950 0.92284535986864 18.998 > 13 17 F 0.15261726830002 0.02122100107052 0.92284535986864 18.998 > 17 18 F 0.65261726830002 0.02122100107052 0.92284535986864 18.998 > 17 19 F 0.15261726830002 0.52122100107052 0.92284535986864 18.998 > 17 20 F 0.65261726830002 0.52122100107052 0.92284535986864 18.998 > 17 21 F 0.36860373277050 0.34738273169998 0.92284535986864 18.998 > 21 22 F 0.86860373277050 0.34738273169998 0.92284535986864 18.998 > 21 23 F 0.36860373277050 0.84738273169998 0.92284535986864 18.998 > 21 24 F 0.86860373277050 0.84738273169998 0.92284535986864 18.998 > 21 25 F 0.01404939836665 0.31211233226281 0.74382130679803 18.998 > 25 26 F 0.51404939836665 0.31211233226281 0.74382130679803 18.998 > 25 27 F 0.01404939836665 0.81211233226281 0.74382130679803 18.998 > 25 28 F 0.51404939836665 0.81211233226281 0.74382130679803 18.998 > 25 29 F 0.29806293389617 0.48595060163335 0.74382130679803 18.998 > 29 30 F 0.79806293389617 0.48595060163335 0.74382130679803 18.998 > 29 31 F 0.29806293389617 0.98595060163335 0.74382130679803 18.998 > 29 32 F 0.79806293389617 0.98595060163335 0.74382130679803 18.998 > 29 33 F 0.18788766773719 0.20193706610383 0.74382130679803 18.998 > 33 34 F 0.68788766773719 0.20193706610383 0.74382130679803 18.998 > 33 35 F 0.18788766773719 0.70193706610383 0.74382130679803 18.998 > 33 36 F 0.68788766773719 0.70193706610383 0.74382130679803 18.998 > 33 37 F 0.31211233226281 0.29806293389617 0.25617869320197 18.998 > 13 38 F 0.81211233226281 0.29806293389617 0.25617869320197 18.998 > 13 39 F 0.31211233226281 0.79806293389617 0.25617869320197 18.998 > 13 40 F 0.81211233226281 0.79806293389617 0.25617869320197 18.998 > 13 41 F 0.48595060163335 0.18788766773719 0.25617869320197 18.998 > 17 42 F 0.98595060163335 0.18788766773719 0.25617869320197 18.998 > 17 43 F 0.48595060163335 0.68788766773719 0.25617869320197 18.998 > 17 44 F 0.98595060163335 0.68788766773719 0.25617869320197 18.998 > 17 45 F 0.20193706610383 0.01404939836665 0.25617869320197 18.998 > 21 46 F 0.70193706610383 0.01404939836665 0.25617869320197 18.998 > 21 47 F 0.20193706610383 0.51404939836665 0.25617869320197 18.998 > 21 48 F 0.70193706610383 0.51404939836665 0.25617869320197 18.998 > 21 49 F 0.34738273169998 0.47877899892948 0.07715464013136 18.998 > 25 50 F 0.84738273169998 0.47877899892948 0.07715464013136 18.998 > 25 51 F 0.34738273169998 0.97877899892948 0.07715464013136 18.998 > 25 52 F 0.84738273169998 0.97877899892948 0.07715464013136 18.998 > 25 53 F 0.13139626722950 0.15261726830002 0.07715464013136 18.998 > 29 54 F 0.63139626722950 0.15261726830002 0.07715464013136 18.998 > 29 55 F 0.13139626722950 0.65261726830002 0.07715464013136 18.998 > 29 56 F 0.63139626722950 0.65261726830002 0.07715464013136 18.998 > 29 57 F 0.02122100107052 0.36860373277050 0.07715464013136 18.998 > 33 58 F 0.52122100107052 0.36860373277050 0.07715464013136 18.998 > 33 59 F 0.02122100107052 0.86860373277050 0.07715464013136 18.998 > 33 60 F 0.52122100107052 0.86860373277050 0.07715464013136 18.998 > 33 61 F 0.14544566559615 0.46472960056283 0.58951202653531 18.998 > 13 62 F 0.64544566559615 0.46472960056283 0.58951202653531 18.998 > 13 63 F 0.14544566559615 0.96472960056283 0.58951202653531 18.998 > 13 64 F 0.64544566559615 0.96472960056283 0.58951202653531 18.998 > 13 65 F 0.31928393496669 0.35455433440385 0.58951202653531 18.998 > 17 66 F 0.81928393496669 0.35455433440385 0.58951202653531 18.998 > 17 67 F 0.31928393496669 0.85455433440385 0.58951202653531 18.998 > 17 68 F 0.81928393496669 0.85455433440385 0.58951202653531 18.998 > 17 69 F 0.03527039943717 0.18071606503331 0.58951202653531 18.998 > 21 70 F 0.53527039943717 0.18071606503331 0.58951202653531 18.998 > 21 71 F 0.03527039943717 0.68071606503331 0.58951202653531 18.998 > 21 72 F 0.53527039943717 0.68071606503331 0.58951202653531 18.998 > 21 73 F 0.18071606503331 0.14544566559615 0.41048797346469 18.998 > 25 74 F 0.68071606503331 0.14544566559615 0.41048797346469 18.998 > 25 75 F 0.18071606503331 0.64544566559615 0.41048797346469 18.998 > 25 76 F 0.68071606503331 0.64544566559615 0.41048797346469 18.998 > 25 77 F 0.46472960056283 0.31928393496669 0.41048797346469 18.998 > 29 78 F 0.96472960056283 0.31928393496669 0.41048797346469 18.998 > 29 79 F 0.46472960056283 0.81928393496669 0.41048797346469 18.998 > 29 80 F 0.96472960056283 0.81928393496669 0.41048797346469 18.998 > 29 81 F 0.35455433440385 0.03527039943717 0.41048797346469 18.998 > 33 82 F 0.85455433440385 0.03527039943717 0.41048797346469 18.998 > 33 83 F 0.35455433440385 0.53527039943717 0.41048797346469 18.998 > 33 84 F 0.85455433440385 0.53527039943717 0.41048797346469 18.998 > 33 85 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 85 86 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 85 87 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 85 88 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 85 89 As 0.33333333333333 0.16666666666667 0.33333333333333 74.922 > 85 90 As 0.83333333333333 0.16666666666667 0.33333333333333 74.922 > 85 91 As 0.33333333333333 0.66666666666667 0.33333333333333 74.922 > 85 92 As 0.83333333333333 0.66666666666667 0.33333333333333 74.922 > 85 93 As 0.16666666666667 0.33333333333333 0.66666666666667 74.922 > 85 94 As 0.66666666666667 0.33333333333333 0.66666666666667 74.922 > 85 95 As 0.16666666666667 0.83333333333333 0.66666666666667 74.922 > 85 96 As 0.66666666666667 0.83333333333333 0.66666666666667 74.922 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0567996 -0.0000003 0.0000000 0.0000003 2.0567996 0.0000000 0.0000000 0.0000000 2.0615694 -------------------------- Born effective charges -------------------------- 1 Li 1.2103627 0.1368429 -0.0000000 -0.1368429 1.2103627 0.0000000 -0.0000000 0.0000000 1.2804546 2 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 3 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 4 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 5 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 6 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 7 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 8 As 3.8717644 -0.1123243 -0.0000000 0.1123243 3.8717644 0.0000000 -0.0000000 0.0000000 3.8241628 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000017 (xy) 0.00000017 (xy) 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 23:13:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:48]------------------------- 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): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.496392809778595 1.441293060728715 4.367200286666661 b -2.496392809778590 1.441293060728715 4.367200286666661 c 0.000000000000002 -2.882586121457435 4.367200286666661 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.88040335772760 0.22807989646868 0.66005282540964 18.998 3 F 0.22807989646868 0.66005282540964 0.88040335772760 18.998 4 F 0.66005282540964 0.88040335772760 0.22807989646868 18.998 5 F 0.77192010353132 0.33994717459036 0.11959664227240 18.998 6 F 0.33994717459036 0.11959664227240 0.77192010353132 18.998 7 F 0.11959664227240 0.77192010353132 0.33994717459036 18.998 8 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.985571239114371 0.000000000000000 0.000000000000000 b -4.992785619557186 8.647758364372301 0.000000000000000 c 0.000000000000000 0.000000000000000 13.101600859999998 Atomic positions (fractional): 1 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 2 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 3 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 4 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 9 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 13 F 0.47877899892948 0.13139626722950 0.92284535986864 18.998 > 13 14 F 0.97877899892948 0.13139626722950 0.92284535986864 18.998 > 13 15 F 0.47877899892948 0.63139626722950 0.92284535986864 18.998 > 13 16 F 0.97877899892948 0.63139626722950 0.92284535986864 18.998 > 13 17 F 0.15261726830002 0.02122100107052 0.92284535986864 18.998 > 17 18 F 0.65261726830002 0.02122100107052 0.92284535986864 18.998 > 17 19 F 0.15261726830002 0.52122100107052 0.92284535986864 18.998 > 17 20 F 0.65261726830002 0.52122100107052 0.92284535986864 18.998 > 17 21 F 0.36860373277050 0.34738273169998 0.92284535986864 18.998 > 21 22 F 0.86860373277050 0.34738273169998 0.92284535986864 18.998 > 21 23 F 0.36860373277050 0.84738273169998 0.92284535986864 18.998 > 21 24 F 0.86860373277050 0.84738273169998 0.92284535986864 18.998 > 21 25 F 0.01404939836665 0.31211233226281 0.74382130679803 18.998 > 25 26 F 0.51404939836665 0.31211233226281 0.74382130679803 18.998 > 25 27 F 0.01404939836665 0.81211233226281 0.74382130679803 18.998 > 25 28 F 0.51404939836665 0.81211233226281 0.74382130679803 18.998 > 25 29 F 0.29806293389617 0.48595060163335 0.74382130679803 18.998 > 29 30 F 0.79806293389617 0.48595060163335 0.74382130679803 18.998 > 29 31 F 0.29806293389617 0.98595060163335 0.74382130679803 18.998 > 29 32 F 0.79806293389617 0.98595060163335 0.74382130679803 18.998 > 29 33 F 0.18788766773719 0.20193706610383 0.74382130679803 18.998 > 33 34 F 0.68788766773719 0.20193706610383 0.74382130679803 18.998 > 33 35 F 0.18788766773719 0.70193706610383 0.74382130679803 18.998 > 33 36 F 0.68788766773719 0.70193706610383 0.74382130679803 18.998 > 33 37 F 0.31211233226281 0.29806293389617 0.25617869320197 18.998 > 13 38 F 0.81211233226281 0.29806293389617 0.25617869320197 18.998 > 13 39 F 0.31211233226281 0.79806293389617 0.25617869320197 18.998 > 13 40 F 0.81211233226281 0.79806293389617 0.25617869320197 18.998 > 13 41 F 0.48595060163335 0.18788766773719 0.25617869320197 18.998 > 17 42 F 0.98595060163335 0.18788766773719 0.25617869320197 18.998 > 17 43 F 0.48595060163335 0.68788766773719 0.25617869320197 18.998 > 17 44 F 0.98595060163335 0.68788766773719 0.25617869320197 18.998 > 17 45 F 0.20193706610383 0.01404939836665 0.25617869320197 18.998 > 21 46 F 0.70193706610383 0.01404939836665 0.25617869320197 18.998 > 21 47 F 0.20193706610383 0.51404939836665 0.25617869320197 18.998 > 21 48 F 0.70193706610383 0.51404939836665 0.25617869320197 18.998 > 21 49 F 0.34738273169998 0.47877899892948 0.07715464013136 18.998 > 25 50 F 0.84738273169998 0.47877899892948 0.07715464013136 18.998 > 25 51 F 0.34738273169998 0.97877899892948 0.07715464013136 18.998 > 25 52 F 0.84738273169998 0.97877899892948 0.07715464013136 18.998 > 25 53 F 0.13139626722950 0.15261726830002 0.07715464013136 18.998 > 29 54 F 0.63139626722950 0.15261726830002 0.07715464013136 18.998 > 29 55 F 0.13139626722950 0.65261726830002 0.07715464013136 18.998 > 29 56 F 0.63139626722950 0.65261726830002 0.07715464013136 18.998 > 29 57 F 0.02122100107052 0.36860373277050 0.07715464013136 18.998 > 33 58 F 0.52122100107052 0.36860373277050 0.07715464013136 18.998 > 33 59 F 0.02122100107052 0.86860373277050 0.07715464013136 18.998 > 33 60 F 0.52122100107052 0.86860373277050 0.07715464013136 18.998 > 33 61 F 0.14544566559615 0.46472960056283 0.58951202653531 18.998 > 13 62 F 0.64544566559615 0.46472960056283 0.58951202653531 18.998 > 13 63 F 0.14544566559615 0.96472960056283 0.58951202653531 18.998 > 13 64 F 0.64544566559615 0.96472960056283 0.58951202653531 18.998 > 13 65 F 0.31928393496669 0.35455433440385 0.58951202653531 18.998 > 17 66 F 0.81928393496669 0.35455433440385 0.58951202653531 18.998 > 17 67 F 0.31928393496669 0.85455433440385 0.58951202653531 18.998 > 17 68 F 0.81928393496669 0.85455433440385 0.58951202653531 18.998 > 17 69 F 0.03527039943717 0.18071606503331 0.58951202653531 18.998 > 21 70 F 0.53527039943717 0.18071606503331 0.58951202653531 18.998 > 21 71 F 0.03527039943717 0.68071606503331 0.58951202653531 18.998 > 21 72 F 0.53527039943717 0.68071606503331 0.58951202653531 18.998 > 21 73 F 0.18071606503331 0.14544566559615 0.41048797346469 18.998 > 25 74 F 0.68071606503331 0.14544566559615 0.41048797346469 18.998 > 25 75 F 0.18071606503331 0.64544566559615 0.41048797346469 18.998 > 25 76 F 0.68071606503331 0.64544566559615 0.41048797346469 18.998 > 25 77 F 0.46472960056283 0.31928393496669 0.41048797346469 18.998 > 29 78 F 0.96472960056283 0.31928393496669 0.41048797346469 18.998 > 29 79 F 0.46472960056283 0.81928393496669 0.41048797346469 18.998 > 29 80 F 0.96472960056283 0.81928393496669 0.41048797346469 18.998 > 29 81 F 0.35455433440385 0.03527039943717 0.41048797346469 18.998 > 33 82 F 0.85455433440385 0.03527039943717 0.41048797346469 18.998 > 33 83 F 0.35455433440385 0.53527039943717 0.41048797346469 18.998 > 33 84 F 0.85455433440385 0.53527039943717 0.41048797346469 18.998 > 33 85 As 0.00000000000000 0.00000000000000 0.00000000000000 74.922 > 85 86 As 0.50000000000000 0.00000000000000 0.00000000000000 74.922 > 85 87 As 0.00000000000000 0.50000000000000 0.00000000000000 74.922 > 85 88 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 85 89 As 0.33333333333333 0.16666666666667 0.33333333333333 74.922 > 85 90 As 0.83333333333333 0.16666666666667 0.33333333333333 74.922 > 85 91 As 0.33333333333333 0.66666666666667 0.33333333333333 74.922 > 85 92 As 0.83333333333333 0.66666666666667 0.33333333333333 74.922 > 85 93 As 0.16666666666667 0.33333333333333 0.66666666666667 74.922 > 85 94 As 0.66666666666667 0.33333333333333 0.66666666666667 74.922 > 85 95 As 0.16666666666667 0.83333333333333 0.66666666666667 74.922 > 85 96 As 0.66666666666667 0.83333333333333 0.66666666666667 74.922 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0567996 -0.0000003 0.0000000 0.0000003 2.0567996 0.0000000 0.0000000 0.0000000 2.0615694 -------------------------- Born effective charges -------------------------- 1 Li 1.2103627 0.1368429 -0.0000000 -0.1368429 1.2103627 0.0000000 -0.0000000 0.0000000 1.2804546 2 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 3 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 4 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 5 F -1.0415922 -0.1337809 0.3547505 -0.1256081 -0.6524501 0.1144633 0.3485578 0.1151967 -0.8507696 6 F -0.6374169 -0.1077426 -0.0782471 -0.0995698 -1.0566254 -0.3644546 -0.0745157 -0.3594582 -0.8507696 7 F -0.8620544 0.2292643 -0.2765034 0.2374371 -0.8319879 0.2499913 -0.2740421 0.2442616 -0.8507696 8 As 3.8717644 -0.1123243 -0.0000000 0.1123243 3.8717644 0.0000000 -0.0000000 0.0000000 3.8241628 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.91, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 15.853 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 19.230 ( 0.000 0.000 0.000) 0.000 19.438 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 21.717 14.290 -4.859) 26.447 0.488 ( 14.826 16.367 13.109) 25.681 0.672 ( 26.102 8.586 22.150) 35.294 2.797 ( -0.607 -0.747 -0.252) 0.995 2.814 ( 0.388 0.403 0.363) 0.666 3.678 ( -0.905 -0.541 -0.736) 1.286 6.550 ( 1.361 0.668 -0.114) 1.520 6.634 ( 3.515 1.989 -1.418) 4.280 6.906 ( -1.926 -0.804 9.991) 10.207 7.828 ( 0.813 -0.916 -0.066) 1.226 7.844 ( 0.395 1.297 2.234) 2.613 10.089 ( -9.798 -2.864 19.406) 21.927 10.340 ( -1.823 -0.181 -2.783) 3.332 10.376 ( -1.926 -1.030 0.290) 2.203 10.437 ( 7.254 -3.983 -2.735) 8.716 11.240 ( -3.183 -1.292 1.080) 3.601 11.333 ( -0.191 0.592 1.752) 1.859 12.345 ( 0.438 3.392 -16.570) 16.920 15.874 ( 2.168 1.361 -1.189) 2.823 15.891 ( 1.892 2.237 3.378) 4.471 19.112 ( -0.242 0.593 -1.860) 1.967 19.203 ( -0.827 -0.504 -1.904) 2.137 19.443 ( 0.428 0.258 0.046) 0.502 21.285 ( -1.454 -2.599 2.378) 3.811 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 18.223 14.947 0.765) 23.581 0.978 ( 18.360 13.381 8.505) 24.258 1.305 ( 22.916 9.518 19.829) 31.763 2.773 ( -0.561 -1.470 -0.482) 1.645 2.829 ( 0.248 0.825 0.789) 1.168 3.637 ( -2.096 -1.355 -1.625) 2.978 6.586 ( 2.100 0.516 -0.384) 2.197 6.723 ( 3.737 2.251 2.611) 5.084 6.946 ( 1.136 1.157 4.525) 4.807 7.841 ( 2.012 -0.988 0.162) 2.247 7.893 ( 0.854 2.488 3.996) 4.784 10.016 ( -7.186 -1.330 9.824) 12.244 10.260 ( -3.819 0.298 -6.701) 7.719 10.334 ( -1.833 -2.489 2.452) 3.945 10.511 ( 10.671 -7.134 -4.922) 13.747 11.154 ( -6.508 -2.321 3.024) 7.542 11.349 ( -0.766 1.503 2.342) 2.886 12.248 ( -5.048 2.879 -11.433) 12.825 15.932 ( 3.670 2.475 -2.134) 4.914 15.995 ( 3.309 3.782 5.867) 7.725 19.096 ( -0.847 1.494 -3.551) 3.944 19.160 ( -2.247 -2.106 1.043) 3.251 19.455 ( 0.542 0.357 -0.107) 0.658 21.238 ( -1.292 -3.850 0.234) 4.067 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 14.219 14.084 4.359) 20.483 1.459 ( 20.226 9.643 5.539) 23.082 1.858 ( 17.674 10.545 15.860) 25.983 2.747 ( 0.198 -2.174 -0.785) 2.320 2.847 ( -0.124 1.368 1.238) 1.849 3.559 ( -3.568 -2.546 -2.415) 5.004 6.618 ( 2.011 -0.345 -0.697) 2.156 6.824 ( 3.071 2.102 4.340) 5.717 7.022 ( 3.079 2.232 2.588) 4.600 7.883 ( 3.272 -0.021 0.572) 3.322 7.965 ( 1.031 3.008 4.673) 5.652 9.956 ( -5.372 0.109 6.181) 8.190 10.148 ( -3.851 0.333 -8.102) 8.977 10.304 ( -0.559 -3.330 3.860) 5.129 10.590 ( 13.117 -10.194 -6.290) 17.763 11.022 ( -9.006 -2.632 4.360) 10.346 11.360 ( -2.661 3.066 2.937) 5.011 12.090 ( -8.364 2.464 -10.637) 13.754 16.011 ( 4.101 3.049 -2.578) 5.724 16.138 ( 3.919 4.236 6.845) 8.953 19.064 ( -2.714 2.620 -3.815) 5.365 19.109 ( -1.294 -3.614 1.636) 4.173 19.464 ( 0.328 0.244 -0.377) 0.556 21.177 ( -1.082 -4.295 -0.447) 4.452 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 10.139 11.277 4.814) 15.911 1.891 ( 18.348 5.542 4.337) 19.652 2.279 ( 10.092 9.820 10.268) 17.427 2.736 ( 1.894 -1.514 -0.876) 2.578 2.868 ( -0.162 1.713 1.402) 2.219 3.441 ( -4.707 -3.884 -2.469) 6.583 6.636 ( 1.443 -0.946 -0.757) 1.884 6.919 ( 2.718 1.859 4.335) 5.444 7.111 ( 3.078 2.047 1.659) 4.052 7.952 ( 3.532 1.013 0.669) 3.735 8.034 ( 0.545 2.454 3.935) 4.670 9.916 ( -4.282 1.992 2.969) 5.579 10.050 ( -2.097 0.068 -6.700) 7.021 10.309 ( 1.576 -3.300 5.177) 6.339 10.674 ( 15.151 -13.026 -6.984) 21.166 10.870 ( -9.601 -1.775 4.918) 10.933 11.351 ( -6.180 5.779 3.456) 9.140 11.892 ( -9.037 1.161 -9.929) 13.476 16.088 ( 3.428 2.815 -2.331) 5.011 16.282 ( 3.530 3.566 6.040) 7.852 19.011 ( -3.691 1.708 -1.565) 4.357 19.072 ( -0.069 -2.741 -0.262) 2.754 19.465 ( 0.034 0.048 -0.525) 0.528 21.119 ( -0.706 -3.656 -0.513) 3.758 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 5.360 6.606 3.238) 9.103 2.211 ( 12.206 2.011 2.781) 12.680 2.479 ( 1.394 2.997 3.474) 4.796 2.799 ( 4.144 3.877 0.228) 5.680 2.890 ( 0.009 1.263 0.964) 1.588 3.308 ( -4.281 -4.485 -1.436) 6.365 6.641 ( 0.740 -0.753 -0.484) 1.161 6.998 ( 1.932 1.196 2.780) 3.590 7.176 ( 1.763 1.122 0.866) 2.262 8.013 ( 1.979 0.855 0.254) 2.170 8.078 ( 0.175 1.371 2.264) 2.652 9.886 ( -2.658 2.103 0.021) 3.390 10.001 ( -0.363 0.071 -2.981) 3.004 10.355 ( 2.951 -2.035 4.736) 5.939 10.678 ( -2.120 -5.394 -2.034) 6.142 10.823 ( 9.216 -7.515 0.137) 11.892 11.302 ( -10.165 8.231 2.678) 13.351 11.714 ( -5.107 -0.786 -6.714) 8.472 16.144 ( 1.925 1.702 -1.387) 2.920 16.389 ( 2.118 2.018 3.557) 4.606 18.964 ( -2.345 0.740 -0.486) 2.507 19.049 ( 0.043 -1.405 -0.618) 1.536 19.461 ( -0.083 -0.046 -0.381) 0.393 21.080 ( -0.319 -2.086 -0.299) 2.132 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 -0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.872 ( -0.000 -0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 -0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 9.873 ( 0.000 0.000 0.000) 0.000 9.991 ( -0.000 -0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 -0.000 0.000) 0.000 11.245 ( 0.000 0.000 0.000) 0.000 11.645 ( 0.000 0.000 0.000) 0.000 16.164 ( 0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 0.000) 0.000 18.946 ( 0.000 0.000 0.000) 0.000 19.040 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 21.066 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -0.392 14.585 6.351) 15.912 0.468 ( 6.056 13.472 15.991) 21.770 0.953 ( -2.377 28.894 28.357) 40.554 2.808 ( -1.090 -0.105 0.484) 1.197 2.814 ( 0.809 0.476 0.380) 1.013 3.672 ( -0.035 -0.943 -1.323) 1.625 6.571 ( -0.120 2.249 1.985) 3.002 6.594 ( -0.060 3.206 -2.015) 3.787 6.964 ( 0.370 -6.346 9.601) 11.514 7.827 ( -1.490 -0.486 0.507) 1.648 7.858 ( 1.064 1.257 2.706) 3.168 10.056 ( 2.886 -20.939 8.225) 22.681 10.320 ( -0.727 -2.644 -2.915) 4.002 10.396 ( -0.666 -0.275 0.342) 0.798 10.602 ( -9.396 2.790 13.695) 16.841 11.179 ( 2.368 -7.896 -4.193) 9.248 11.329 ( 1.225 2.263 0.798) 2.694 12.266 ( 4.257 12.744 -18.578) 22.927 15.848 ( 0.176 0.050 -0.747) 0.769 15.932 ( 1.498 5.282 4.309) 6.979 19.138 ( 1.134 1.558 0.790) 2.083 19.206 ( -0.210 2.975 -2.700) 4.023 19.443 ( 0.009 0.405 0.024) 0.406 21.261 ( -2.335 -6.948 0.526) 7.348 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 16.855 17.593 -2.995) 24.547 0.917 ( 17.583 7.416 19.468) 27.261 1.417 ( 4.842 25.936 25.303) 36.556 2.778 ( -1.982 -0.783 0.260) 2.147 2.839 ( 0.739 1.160 0.920) 1.655 3.639 ( -1.286 -1.606 -2.099) 2.939 6.581 ( -0.512 1.855 0.676) 2.040 6.684 ( 4.963 2.874 1.495) 5.927 6.966 ( 0.229 -2.634 5.415) 6.026 7.808 ( 0.344 -0.932 -0.220) 1.017 7.922 ( 1.778 1.997 4.372) 5.125 9.955 ( 5.278 -21.224 1.435) 21.917 10.239 ( -1.414 -3.489 -5.937) 7.030 10.385 ( -0.446 -0.668 0.781) 1.120 10.462 ( -11.588 5.691 -0.365) 12.915 11.176 ( 2.847 -4.301 -0.614) 5.195 11.368 ( -0.338 0.540 4.786) 4.828 12.310 ( -1.771 7.690 -9.070) 12.023 15.871 ( 2.905 0.266 -1.000) 3.083 16.066 ( 1.913 7.975 6.788) 10.646 19.144 ( -2.931 3.695 -0.234) 4.722 19.204 ( -1.918 0.690 0.958) 2.253 19.450 ( 0.338 0.347 -0.228) 0.536 21.159 ( 0.503 -8.543 -3.231) 9.148 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 19.674 15.143 -2.555) 24.958 1.385 ( 15.516 7.335 16.882) 24.074 1.909 ( 8.612 21.041 20.633) 30.702 2.735 ( -1.826 -1.426 -0.168) 2.323 2.870 ( 0.390 1.537 1.538) 2.209 3.569 ( -2.797 -2.670 -2.963) 4.871 6.597 ( 0.346 0.680 0.326) 0.829 6.808 ( 4.538 2.522 3.467) 6.243 6.996 ( 2.438 -1.244 2.696) 3.842 7.825 ( 2.950 -0.291 -0.976) 3.121 8.005 ( 1.682 2.507 5.134) 5.956 9.851 ( 8.233 -21.079 -4.207) 23.018 10.132 ( -1.978 -3.083 -8.495) 9.251 10.347 ( -5.291 2.149 -1.024) 5.802 10.390 ( 0.732 -1.546 0.672) 1.837 11.145 ( -4.297 0.571 -0.310) 4.346 11.401 ( 0.191 -1.256 7.735) 7.838 12.244 ( -8.477 7.126 -6.372) 12.776 15.934 ( 4.807 0.620 -1.286) 5.015 16.221 ( 0.844 9.021 7.991) 12.081 19.122 ( -3.694 5.081 -1.993) 6.591 19.168 ( -3.908 -0.861 3.828) 5.538 19.455 ( 0.403 0.065 -0.704) 0.814 21.073 ( 2.632 -9.336 -4.717) 10.786 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 18.206 12.363 -0.786) 22.021 1.775 ( 11.157 6.709 13.291) 18.605 2.346 ( 7.580 16.452 15.005) 23.522 2.693 ( -0.512 -1.894 -0.783) 2.112 2.899 ( -0.133 1.467 1.991) 2.477 3.458 ( -4.111 -3.949 -3.294) 6.583 6.609 ( 0.694 -0.021 -0.021) 0.695 6.918 ( 2.991 1.670 4.420) 5.592 7.052 ( 4.387 -1.708 0.801) 4.775 7.885 ( 4.733 0.768 -1.987) 5.190 8.080 ( 0.576 2.207 4.550) 5.090 9.777 ( 11.457 -19.239 -10.098) 24.564 10.027 ( -1.434 -1.937 -5.988) 6.455 10.297 ( -1.500 -0.751 1.623) 2.334 10.403 ( 3.434 -3.047 -0.544) 4.623 11.044 ( -9.008 1.599 0.853) 9.189 11.447 ( -0.046 -0.079 8.140) 8.140 12.094 ( -13.051 7.362 -5.604) 15.998 16.019 ( 5.295 0.931 -1.241) 5.518 16.358 ( -0.463 7.926 7.337) 10.811 19.093 ( -4.266 6.110 -4.326) 8.617 19.115 ( -4.241 -1.740 6.777) 8.182 19.455 ( 0.371 -0.315 -1.103) 1.205 21.010 ( 4.011 -8.844 -4.765) 10.817 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 10.223 10.071 1.986) 14.487 2.052 ( 9.515 2.833 7.215) 12.273 2.581 ( -3.611 6.974 5.137) 9.384 2.746 ( 7.534 4.053 2.483) 8.908 2.916 ( -0.673 0.758 1.912) 2.164 3.322 ( -4.412 -4.973 -2.261) 7.021 6.622 ( 0.876 0.177 -0.132) 0.904 6.995 ( 1.911 0.418 3.398) 3.921 7.108 ( 4.574 -3.067 -0.421) 5.523 7.957 ( 4.419 0.614 -2.969) 5.359 8.118 ( -0.825 1.315 2.794) 3.197 9.728 ( 11.402 -14.703 -13.919) 23.236 9.981 ( 0.369 -0.874 -2.087) 2.293 10.311 ( 2.854 -2.444 4.145) 5.595 10.445 ( 6.993 -4.400 -1.606) 8.417 10.898 ( -10.120 0.786 1.442) 10.253 11.496 ( -1.971 2.408 8.169) 8.741 11.893 ( -14.921 7.367 -4.479) 17.233 16.104 ( 4.122 0.871 -0.407) 4.233 16.443 ( -1.695 5.240 4.688) 7.232 19.036 ( -4.750 1.945 -0.272) 5.140 19.095 ( -3.296 3.043 3.542) 5.716 19.450 ( 0.468 -0.562 -1.154) 1.366 20.978 ( 4.985 -7.332 -4.291) 9.850 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -2.079 2.250 2.170) 3.754 2.273 ( 8.674 1.802 1.890) 9.059 2.571 ( -4.464 4.518 1.051) 6.438 2.879 ( 0.516 1.793 0.083) 1.868 2.915 ( -1.000 -0.359 1.543) 1.873 3.223 ( -0.442 -2.581 0.331) 2.639 6.641 ( 0.706 0.995 0.109) 1.225 7.026 ( 0.555 -1.269 0.871) 1.636 7.135 ( 3.591 -4.252 -1.634) 5.801 7.997 ( 2.765 -0.603 -3.226) 4.292 8.116 ( -1.637 0.357 0.621) 1.786 9.702 ( 9.987 -10.435 -12.100) 18.842 9.980 ( 0.875 -0.043 -0.782) 1.175 10.375 ( 2.960 -0.923 2.735) 4.134 10.539 ( 9.966 -3.675 -3.512) 11.187 10.771 ( -3.955 -2.613 3.543) 5.918 11.497 ( -10.237 5.741 5.884) 13.129 11.732 ( -8.000 6.189 0.556) 10.129 16.161 ( 1.585 0.110 1.358) 2.090 16.459 ( -2.680 2.207 0.572) 3.519 18.982 ( -3.350 0.881 0.640) 3.522 19.103 ( -3.118 4.910 3.733) 6.911 19.447 ( 0.700 -0.567 -0.855) 1.242 20.980 ( 5.568 -5.312 -3.856) 8.608 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -7.192 -4.214 -2.137) 8.606 2.330 ( -4.110 -0.580 -0.759) 4.220 2.534 ( -6.045 3.197 -0.368) 6.848 2.821 ( -3.462 -3.567 0.329) 4.981 2.884 ( -1.407 -1.813 0.310) 2.316 3.278 ( 4.659 2.817 0.850) 5.511 6.663 ( 0.012 1.710 0.591) 1.809 6.997 ( -1.360 -2.500 -1.968) 3.460 7.125 ( 2.249 -5.051 -2.721) 6.162 8.000 ( 1.080 -1.368 -2.902) 3.385 8.081 ( -2.227 -0.556 -1.065) 2.531 9.704 ( 8.612 -7.933 -8.553) 14.500 9.999 ( 1.370 -0.103 1.421) 1.976 10.391 ( -1.808 1.345 -2.721) 3.533 10.608 ( 4.706 3.274 -7.852) 9.722 10.836 ( 12.152 -9.023 7.677) 16.971 11.345 ( -15.675 6.171 3.202) 17.148 11.766 ( -0.178 6.097 7.424) 9.608 16.171 ( -1.404 -1.488 3.451) 4.012 16.407 ( -3.592 0.205 -3.525) 5.037 18.955 ( -1.002 0.247 0.874) 1.352 19.130 ( -3.228 6.023 4.423) 8.140 19.451 ( 0.849 -0.428 -0.426) 1.041 21.010 ( 5.832 -3.312 -3.671) 7.646 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -11.207 -8.965 -5.670) 15.430 2.129 ( -15.690 -3.316 -1.470) 16.104 2.369 ( -12.644 -2.635 -3.301) 13.331 2.775 ( -1.112 -0.089 1.144) 1.598 2.849 ( -0.501 -1.452 -0.466) 1.605 3.403 ( 5.538 3.283 1.042) 6.522 6.676 ( -1.067 1.525 0.964) 2.096 6.918 ( -2.575 -2.530 -3.783) 5.230 7.081 ( 0.606 -4.985 -3.106) 5.905 7.970 ( -0.962 -1.314 -2.401) 2.901 8.021 ( -2.592 -1.327 -2.185) 3.641 9.725 ( 7.837 -6.336 -6.236) 11.851 10.047 ( 2.455 -0.124 4.367) 5.012 10.338 ( -2.697 3.080 -5.520) 6.872 10.698 ( 8.267 3.219 -10.200) 13.519 10.995 ( 6.013 -2.130 5.950) 8.723 11.187 ( -8.266 -0.243 4.927) 9.626 11.902 ( 2.467 5.967 10.123) 12.007 16.130 ( -3.586 -3.461 4.365) 6.624 16.306 ( -4.765 -0.192 -5.451) 7.243 18.965 ( 1.461 -0.236 0.973) 1.772 19.164 ( -3.451 6.301 4.598) 8.530 19.460 ( 0.678 -0.296 -0.095) 0.746 21.061 ( 5.880 -1.761 -3.736) 7.186 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -14.433 -11.580 -7.290) 19.889 1.762 ( -21.966 -5.780 1.080) 22.739 2.040 ( -19.247 -2.641 -7.183) 20.712 2.766 ( -0.235 -0.509 0.141) 0.578 2.839 ( -0.305 0.612 -0.049) 0.685 3.525 ( 4.752 2.187 1.156) 5.357 6.664 ( -2.059 0.188 0.754) 2.201 6.826 ( -2.909 -1.557 -3.873) 5.088 7.014 ( -1.223 -3.676 -2.666) 4.703 7.922 ( -2.075 -0.507 -1.223) 2.462 7.943 ( -2.655 -1.754 -3.075) 4.425 9.764 ( 7.605 -4.995 -4.854) 10.312 10.135 ( 3.736 0.586 5.651) 6.800 10.308 ( -0.656 3.935 -5.454) 6.757 10.768 ( 4.370 0.374 -11.346) 12.164 11.030 ( -7.769 12.264 3.739) 14.992 11.184 ( 8.811 -12.208 5.429) 16.004 12.078 ( 4.011 4.542 10.990) 12.550 16.048 ( -4.213 -4.332 3.005) 6.749 16.184 ( -6.079 0.132 -3.939) 7.245 19.008 ( 3.122 -0.570 1.169) 3.382 19.191 ( -3.414 5.645 3.928) 7.678 19.465 ( 0.166 -0.217 0.047) 0.278 21.121 ( 5.695 -0.916 -3.969) 7.002 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -17.123 -9.623 -4.522) 20.156 1.321 ( -24.918 -5.875 2.577) 25.730 1.596 ( -25.598 -1.021 -8.275) 26.922 2.765 ( 0.993 -0.666 -0.408) 1.263 2.839 ( -0.888 0.980 0.198) 1.337 3.613 ( 3.225 0.921 0.658) 3.417 6.625 ( -2.375 -0.794 0.105) 2.506 6.743 ( -3.336 -0.759 -2.478) 4.225 6.943 ( -2.304 -1.595 -1.646) 3.250 7.868 ( -1.615 -1.576 -2.761) 3.566 7.884 ( -2.201 0.537 0.038) 2.266 9.823 ( 7.394 -3.340 -3.321) 8.767 10.241 ( 3.869 0.647 4.392) 5.889 10.322 ( 0.996 4.799 -4.224) 6.471 10.692 ( -4.133 -1.635 -7.686) 8.878 11.098 ( 1.612 8.318 -0.672) 8.500 11.240 ( 5.901 -8.405 4.318) 11.141 12.249 ( 4.008 2.711 9.835) 10.961 15.957 ( -3.702 -2.724 1.045) 4.714 16.062 ( -6.605 -0.078 -0.778) 6.651 19.066 ( 3.316 -0.640 1.505) 3.697 19.207 ( -2.615 3.874 2.357) 5.235 19.461 ( -0.404 -0.132 0.055) 0.428 21.179 ( 5.087 -0.668 -4.081) 6.556 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -18.986 1.896 6.574) 20.181 0.866 ( -25.809 -2.200 1.252) 25.932 1.080 ( -30.546 0.736 -3.829) 30.794 2.779 ( 1.443 -0.173 -0.562) 1.558 2.828 ( -1.124 0.143 0.213) 1.153 3.661 ( 1.883 0.011 -0.090) 1.886 6.580 ( -2.115 -0.221 -0.337) 2.153 6.674 ( -3.244 0.181 -0.083) 3.250 6.892 ( -2.169 0.069 0.406) 2.208 7.827 ( -0.397 -0.151 -1.731) 1.782 7.860 ( -1.831 0.190 1.415) 2.322 9.912 ( 6.787 -0.355 1.386) 6.936 10.314 ( 2.757 -0.198 0.653) 2.840 10.376 ( 1.274 4.569 -1.345) 4.930 10.532 ( -5.103 -4.190 -8.262) 10.577 11.192 ( 3.800 0.250 0.829) 3.898 11.285 ( 2.572 -0.317 2.279) 3.451 12.373 ( 2.968 0.189 4.390) 5.303 15.897 ( -2.670 0.734 0.206) 2.777 15.957 ( -5.665 -0.805 1.818) 6.004 19.115 ( 1.484 -0.153 1.197) 1.913 19.209 ( -0.407 0.259 -0.129) 0.499 19.451 ( -0.650 0.023 0.035) 0.652 21.226 ( 3.857 -0.056 -2.808) 4.771 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -19.645 7.093 11.082) 23.644 0.766 ( -12.302 15.829 5.773) 20.862 1.467 ( -6.383 24.427 25.323) 35.759 2.796 ( 1.429 -0.278 0.931) 1.728 2.831 ( -0.436 0.966 0.514) 1.178 3.643 ( 1.135 -1.333 -1.908) 2.589 6.592 ( -0.021 2.546 1.066) 2.760 6.685 ( -4.879 2.949 1.459) 5.884 6.956 ( -0.046 -2.782 5.187) 5.887 7.864 ( -2.516 -0.875 1.947) 3.300 7.873 ( 0.584 1.717 2.182) 2.837 9.904 ( -2.712 -16.635 -0.668) 16.868 10.265 ( 1.848 -2.895 -3.363) 4.807 10.395 ( 0.904 -0.010 0.372) 0.978 10.750 ( 6.555 11.419 12.359) 18.059 11.087 ( -6.716 -12.061 -8.383) 16.151 11.321 ( 2.529 -0.451 3.864) 4.639 12.178 ( 4.806 5.072 -12.838) 14.616 15.865 ( -2.828 -0.324 -0.707) 2.933 16.016 ( -0.905 6.616 5.197) 8.461 19.107 ( 3.631 2.188 -0.803) 4.315 19.211 ( 1.576 1.118 0.976) 2.165 19.449 ( -0.331 0.290 -0.193) 0.481 21.236 ( -1.815 -5.718 -1.572) 6.201 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.533 15.510 7.045) 17.043 0.921 ( 4.982 12.756 15.213) 20.469 1.803 ( -1.158 24.242 23.629) 33.873 2.817 ( -1.428 0.036 1.088) 1.796 2.836 ( 0.960 0.991 0.919) 1.658 3.622 ( -0.279 -1.819 -2.371) 3.002 6.640 ( -1.007 2.612 0.195) 2.806 6.663 ( 0.214 3.498 3.287) 4.805 6.955 ( 0.449 -3.438 3.574) 4.979 7.815 ( -2.262 -1.466 0.368) 2.720 7.929 ( 2.112 1.052 4.202) 4.819 9.670 ( -0.101 -21.409 -7.402) 22.652 10.201 ( -1.680 -4.254 -4.545) 6.448 10.395 ( -0.341 -0.576 0.482) 0.825 10.672 ( -12.614 -5.308 -5.215) 14.646 11.073 ( 6.739 1.461 7.416) 10.127 11.407 ( 1.716 3.313 2.321) 4.394 12.292 ( 5.984 6.530 -6.493) 10.983 15.838 ( 0.362 0.178 -1.179) 1.246 16.157 ( 2.605 9.641 7.817) 12.683 19.195 ( 2.102 2.783 1.428) 3.768 19.241 ( -0.423 2.340 0.172) 2.384 19.446 ( 0.052 0.032 -0.462) 0.466 21.078 ( -4.270 -9.459 -4.064) 11.146 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 11.821 17.761 2.475) 21.478 1.301 ( 14.255 8.033 17.205) 23.743 2.170 ( 1.775 20.984 19.672) 28.818 2.782 ( -3.425 0.756 1.066) 3.666 2.877 ( 1.467 0.993 1.518) 2.333 3.564 ( -2.035 -2.791 -2.990) 4.568 6.628 ( -2.097 1.594 0.937) 2.796 6.773 ( 4.857 3.053 3.130) 6.535 6.955 ( 1.423 -3.275 1.902) 4.045 7.782 ( 0.356 -1.154 -1.060) 1.607 8.014 ( 3.101 0.784 5.149) 6.061 9.413 ( 5.955 -26.133 -14.263) 30.362 10.092 ( -2.311 -4.087 -5.373) 7.136 10.382 ( -0.534 -1.660 0.941) 1.981 10.451 ( -6.395 -1.689 -4.357) 7.920 11.199 ( 0.368 4.432 3.833) 5.871 11.460 ( -0.874 1.588 6.118) 6.381 12.361 ( -1.198 5.446 -3.577) 6.625 15.863 ( 3.109 0.411 -1.222) 3.366 16.353 ( 1.742 10.883 9.079) 14.279 19.229 ( -2.695 5.437 -1.192) 6.184 19.247 ( -2.156 0.467 4.428) 4.947 19.444 ( 0.252 -0.260 -0.959) 1.025 20.905 ( -0.107 -11.098 -6.165) 12.696 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 14.864 14.752 2.572) 21.099 1.720 ( 14.087 7.147 13.988) 21.099 2.493 ( 3.679 13.627 12.780) 19.042 2.744 ( -4.256 3.379 2.556) 6.006 2.917 ( 0.883 0.860 1.846) 2.219 3.463 ( -3.617 -4.050 -3.293) 6.351 6.617 ( -1.014 0.626 0.618) 1.343 6.902 ( 4.351 2.065 4.063) 6.301 6.963 ( 2.926 -4.113 0.270) 5.055 7.797 ( 3.707 -0.156 -3.177) 4.885 8.100 ( 2.308 0.581 4.633) 5.209 9.214 ( 13.876 -27.198 -17.572) 35.229 9.992 ( -1.287 -2.938 -4.711) 5.699 10.339 ( -2.324 -1.969 -2.096) 3.697 10.367 ( -1.035 -0.990 1.156) 1.841 11.209 ( -6.365 5.483 -0.187) 8.403 11.509 ( -0.325 0.740 9.797) 9.830 12.315 ( -7.941 5.580 -2.711) 10.077 15.930 ( 5.061 0.558 -1.072) 5.204 16.517 ( -1.458 10.142 8.639) 13.402 19.205 ( -4.524 4.014 -1.245) 6.175 19.240 ( -4.282 2.845 6.041) 7.932 19.436 ( 0.230 -0.514 -1.474) 1.578 20.790 ( 4.525 -11.626 -7.171) 14.390 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 14.394 9.994 3.560) 17.881 2.051 ( 7.265 7.288 9.013) 13.679 2.651 ( 2.420 -0.078 -0.405) 2.455 2.799 ( -2.021 11.674 9.464) 15.164 2.941 ( -0.147 0.104 1.765) 1.775 3.332 ( -4.285 -4.980 -2.393) 6.992 6.618 ( 0.151 0.775 0.247) 0.828 6.958 ( 2.953 -5.596 0.532) 6.349 7.012 ( 3.499 0.339 2.120) 4.106 7.849 ( 5.296 -0.107 -4.937) 7.241 8.148 ( 0.231 -0.087 2.565) 2.577 9.145 ( 20.312 -23.059 -17.225) 35.227 9.944 ( 0.865 -1.431 -2.496) 3.005 10.291 ( -0.375 -1.739 0.285) 1.802 10.358 ( 1.027 -1.959 0.416) 2.251 11.102 ( -10.778 3.652 -0.643) 11.397 11.585 ( -0.003 2.194 9.783) 10.026 12.181 ( -12.523 5.926 -2.155) 14.021 16.022 ( 5.728 0.495 -0.547) 5.775 16.599 ( -4.831 7.470 6.307) 10.905 19.147 ( -5.609 2.034 0.944) 6.041 19.243 ( -4.679 6.225 5.271) 9.404 19.425 ( 0.396 -0.703 -1.642) 1.829 20.739 ( 7.775 -10.971 -7.182) 15.244 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 11.073 4.284 3.631) 12.415 2.186 ( -2.562 4.853 3.230) 6.368 2.679 ( -0.160 4.283 -0.522) 4.317 2.907 ( -1.280 3.705 3.244) 5.088 2.935 ( -0.816 -1.285 1.639) 2.237 3.216 ( -2.458 -3.846 0.255) 4.572 6.642 ( 0.939 1.846 0.214) 2.082 6.944 ( 3.876 -8.177 -1.513) 9.175 7.062 ( 1.110 -0.216 0.633) 1.296 7.894 ( 4.782 -1.521 -5.262) 7.271 8.143 ( -1.122 -0.999 0.529) 1.593 9.217 ( 21.340 -14.618 -14.494) 29.651 9.951 ( 1.765 -0.332 -0.904) 2.010 10.310 ( 4.687 -3.034 2.543) 6.135 10.370 ( 2.749 -1.874 -0.969) 3.465 10.931 ( -11.651 1.687 -0.476) 11.783 11.664 ( -1.343 3.227 8.806) 9.474 12.003 ( -13.732 6.287 -0.647) 15.117 16.115 ( 4.768 0.026 0.760) 4.828 16.581 ( -7.039 4.055 2.482) 8.495 19.075 ( -5.540 1.204 1.528) 5.872 19.272 ( -4.806 8.480 6.029) 11.461 19.418 ( 0.833 -0.750 -1.401) 1.794 20.742 ( 9.664 -9.506 -6.909) 15.215 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -8.928 -1.138 -1.347) 9.100 2.331 ( 3.797 1.413 1.472) 4.311 2.699 ( -5.612 7.027 1.233) 9.077 2.852 ( -3.947 -3.019 -0.348) 4.982 2.903 ( -2.486 -2.844 1.479) 4.057 3.220 ( 4.135 0.192 0.724) 4.202 6.681 ( 0.669 2.582 0.532) 2.720 6.915 ( 3.856 -8.300 -2.634) 9.524 7.052 ( -0.655 -1.307 -2.113) 2.569 7.916 ( 3.867 -2.370 -4.136) 6.138 8.107 ( -1.867 -1.279 -0.165) 2.269 9.358 ( 16.659 -6.934 -10.717) 20.987 9.976 ( 1.793 0.040 0.012) 1.793 10.391 ( 1.745 0.442 0.216) 1.813 10.417 ( 10.178 -4.509 -2.916) 11.507 10.775 ( -6.328 -1.300 2.265) 6.846 11.655 ( -10.566 3.414 4.411) 11.948 11.907 ( -4.613 6.495 5.070) 9.443 16.182 ( 2.070 -1.014 3.270) 4.001 16.485 ( -7.458 1.569 -2.040) 7.890 19.011 ( -4.154 0.634 1.583) 4.491 19.316 ( -5.382 9.482 6.688) 12.791 19.422 ( 1.363 -0.696 -1.013) 1.836 20.786 ( 10.437 -7.558 -6.675) 14.513 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -13.299 -4.172 -3.127) 14.285 2.297 ( -7.904 -0.562 -2.790) 8.401 2.583 ( -13.430 -0.394 3.654) 13.924 2.800 ( -1.654 0.236 0.387) 1.715 2.847 ( -0.962 -1.462 0.157) 1.757 3.326 ( 6.770 1.416 -0.376) 6.927 6.705 ( -0.404 0.597 0.325) 0.791 6.886 ( 1.534 -3.677 -2.336) 4.619 7.002 ( -0.267 -2.569 -3.709) 4.520 7.926 ( 2.305 -2.061 -2.361) 3.890 8.054 ( -3.016 -1.131 -0.220) 3.229 9.485 ( 10.713 -2.614 -7.072) 13.100 10.020 ( 2.995 -0.210 2.152) 3.694 10.387 ( -2.606 2.262 -3.315) 4.785 10.507 ( 8.429 0.561 -12.279) 14.904 10.784 ( 7.897 -8.501 10.490) 15.642 11.489 ( -14.150 3.911 2.597) 14.909 11.993 ( 1.174 5.450 8.043) 9.786 16.196 ( -2.446 -2.624 6.755) 7.649 16.355 ( -5.795 1.071 -6.197) 8.552 18.975 ( -1.747 0.219 1.423) 2.263 19.349 ( -5.850 8.054 5.860) 11.551 19.437 ( 1.408 -0.050 -0.346) 1.451 20.856 ( 10.255 -5.314 -6.351) 13.181 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -16.682 -3.661 -1.275) 17.126 2.048 ( -17.043 -1.743 -3.579) 17.501 2.331 ( -18.284 -0.843 2.619) 18.490 2.759 ( -1.116 -1.959 -0.545) 2.320 2.855 ( 0.111 1.359 0.659) 1.515 3.450 ( 6.556 1.077 -0.515) 6.664 6.682 ( -0.990 -1.928 -0.904) 2.348 6.854 ( -2.771 0.723 -1.020) 3.039 6.968 ( 1.193 -1.598 -2.679) 3.340 7.922 ( 0.151 -1.189 -0.559) 1.323 7.982 ( -4.035 -0.867 -0.228) 4.133 9.582 ( 7.358 -0.509 -3.970) 8.376 10.100 ( 4.299 -0.278 3.955) 5.849 10.340 ( -2.520 4.184 -4.797) 6.846 10.566 ( 8.027 1.033 -15.704) 17.667 10.931 ( 11.169 -11.639 11.289) 19.689 11.325 ( -11.797 5.071 2.220) 13.031 12.127 ( 3.123 3.606 7.946) 9.268 16.131 ( -6.386 -2.307 5.058) 8.467 16.251 ( -4.021 0.491 -3.756) 5.524 18.977 ( 0.895 0.003 1.229) 1.520 19.346 ( -5.309 4.498 3.404) 7.747 19.458 ( 0.523 0.694 0.267) 0.909 20.941 ( 9.236 -2.887 -5.627) 11.194 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -18.352 1.826 4.766) 19.049 1.681 ( -21.933 -1.046 -3.083) 22.173 1.992 ( -23.615 0.265 2.471) 23.745 2.735 ( 0.691 -1.104 -0.985) 1.633 2.864 ( -0.737 0.641 0.536) 1.114 3.550 ( 5.043 0.071 -0.760) 5.101 6.639 ( -1.226 -1.120 -1.368) 2.151 6.799 ( -3.840 0.505 0.299) 3.885 6.962 ( -0.901 1.183 -0.381) 1.535 7.886 ( -2.942 -0.390 -1.028) 3.140 7.929 ( -2.074 -0.110 2.217) 3.037 9.684 ( 6.477 1.249 -0.425) 6.610 10.194 ( 4.330 -0.482 2.639) 5.094 10.340 ( 0.129 5.317 -3.184) 6.199 10.569 ( 4.098 -1.600 -16.231) 16.817 11.041 ( 7.573 -12.717 10.121) 17.931 11.253 ( -4.711 7.793 0.916) 9.152 12.253 ( 3.924 0.429 5.626) 6.872 16.036 ( -5.768 0.855 0.973) 5.912 16.164 ( -5.503 -1.253 1.922) 5.962 19.017 ( 2.824 -0.007 1.199) 3.067 19.301 ( -4.374 0.352 0.202) 4.393 19.467 ( -0.202 0.427 0.113) 0.485 21.035 ( 7.601 -0.314 -4.112) 8.648 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -17.058 10.313 12.728) 23.650 1.282 ( -23.833 2.797 -2.895) 24.170 1.596 ( -27.636 2.314 6.088) 28.393 2.746 ( 1.752 0.069 -1.015) 2.026 2.850 ( -1.331 -0.429 0.507) 1.487 3.610 ( 3.413 -0.773 -1.238) 3.712 6.606 ( -1.425 0.537 -1.213) 1.947 6.750 ( -3.720 1.058 2.366) 4.534 6.951 ( -2.592 1.912 1.814) 3.696 7.841 ( -1.754 1.143 -0.732) 2.217 7.913 ( -2.351 -0.186 3.865) 4.528 9.832 ( 7.215 3.217 5.199) 9.457 10.259 ( 3.384 -0.386 -0.387) 3.428 10.378 ( 0.605 -2.001 -0.263) 2.107 10.480 ( -0.585 3.340 -15.125) 15.501 11.092 ( 5.537 -8.920 7.072) 12.659 11.304 ( 0.651 5.817 1.056) 5.947 12.315 ( 3.021 -4.171 -0.639) 5.189 15.976 ( -4.173 3.890 -1.481) 5.893 16.069 ( -6.444 -2.293 5.596) 8.838 19.080 ( 3.265 0.299 1.186) 3.486 19.211 ( -2.952 -3.801 -3.172) 5.764 19.463 ( -0.561 0.197 -0.080) 0.600 21.138 ( 5.897 1.957 -1.594) 6.415 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -16.347 7.262 10.629) 20.808 1.230 ( -22.728 12.862 2.610) 26.245 1.929 ( -6.442 18.306 20.186) 28.001 2.778 ( 1.143 -0.033 0.848) 1.424 2.847 ( 0.209 0.795 1.055) 1.337 3.582 ( 2.715 -1.759 -2.466) 4.068 6.631 ( -0.508 2.654 0.925) 2.856 6.804 ( -4.173 2.100 3.470) 5.819 6.986 ( -2.871 -1.075 2.642) 4.047 7.897 ( -0.648 1.673 1.035) 2.071 7.923 ( -3.363 -0.832 2.678) 4.379 9.803 ( -5.585 -15.433 -4.619) 17.050 10.166 ( 3.976 -2.551 -3.029) 5.611 10.380 ( 1.445 0.333 1.581) 2.167 10.825 ( 6.249 15.015 5.773) 17.257 11.017 ( -2.754 -8.476 -8.518) 12.329 11.290 ( 1.313 -7.042 7.787) 10.580 12.044 ( 6.184 1.868 -10.255) 12.120 15.923 ( -4.921 -0.438 -0.745) 4.997 16.145 ( -2.331 6.767 5.684) 9.140 19.062 ( 3.312 1.564 -0.658) 3.721 19.190 ( 3.277 0.997 2.064) 3.999 19.455 ( -0.443 0.041 -0.560) 0.715 21.188 ( -0.238 -4.693 -2.833) 5.487 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -13.648 10.245 11.744) 20.715 1.168 ( -7.460 15.938 7.886) 19.283 2.179 ( -1.625 19.363 19.166) 27.292 2.805 ( 1.732 -0.629 1.607) 2.445 2.867 ( -0.536 1.718 1.294) 2.217 3.581 ( 1.147 -2.140 -2.631) 3.580 6.663 ( 0.191 2.488 1.922) 3.150 6.774 ( -4.548 3.043 2.841) 6.165 6.947 ( -1.236 -2.444 1.356) 3.056 7.847 ( -3.177 -2.549 0.420) 4.095 7.934 ( 0.788 0.464 3.330) 3.454 9.459 ( -7.194 -22.316 -12.022) 26.349 10.145 ( 0.206 -4.135 -4.183) 5.886 10.388 ( 0.041 -1.086 -0.179) 1.101 10.696 ( -7.575 -11.628 -9.859) 17.023 11.116 ( 3.361 9.165 12.455) 15.824 11.392 ( 5.631 2.886 2.724) 6.889 12.180 ( 9.479 5.602 -4.693) 11.969 15.850 ( -2.547 -0.047 -0.998) 2.736 16.270 ( 1.757 10.493 8.161) 13.409 19.166 ( 4.938 3.602 0.835) 6.169 19.258 ( 1.678 1.616 1.991) 3.064 19.442 ( -0.319 -0.345 -0.964) 1.072 21.043 ( -5.187 -9.469 -5.138) 11.956 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 1.355 16.123 7.878) 17.996 1.341 ( 3.454 11.509 13.757) 18.266 2.458 ( -0.164 16.876 15.226) 22.730 2.838 ( 0.898 0.304 1.578) 1.841 2.881 ( -0.834 2.135 2.510) 3.399 3.542 ( -0.773 -3.109 -2.905) 4.325 6.686 ( -1.612 1.011 0.902) 2.106 6.776 ( -0.009 3.284 3.556) 4.841 6.917 ( 0.149 -2.867 -0.154) 2.875 7.777 ( -2.045 -2.550 -0.285) 3.281 7.987 ( 3.157 -1.611 4.898) 6.046 9.022 ( -3.062 -26.804 -18.931) 32.958 10.055 ( -1.978 -4.370 -4.828) 6.806 10.358 ( -0.346 -4.135 -1.239) 4.330 10.488 ( -3.980 -2.280 -4.439) 6.383 11.286 ( 0.453 6.277 8.349) 10.456 11.511 ( 1.975 3.889 3.289) 5.463 12.347 ( 5.889 4.370 -1.688) 7.525 15.827 ( 0.515 0.367 -1.186) 1.344 16.485 ( 3.027 12.195 9.833) 15.955 19.275 ( 2.666 3.299 1.717) 4.576 19.298 ( -0.532 2.349 1.460) 2.817 19.427 ( 0.183 -0.821 -1.379) 1.616 20.807 ( -5.436 -11.266 -6.447) 14.072 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 8.576 16.480 5.231) 19.300 1.653 ( 11.438 7.396 14.247) 19.711 2.643 ( -1.794 8.146 6.238) 10.416 2.880 ( 0.239 4.255 3.685) 5.634 2.923 ( -0.250 3.826 4.628) 6.010 3.457 ( -2.735 -4.432 -2.860) 5.941 6.656 ( -2.367 0.145 0.394) 2.404 6.866 ( 4.065 1.042 2.628) 4.951 6.891 ( 1.158 -3.166 -0.067) 3.372 7.734 ( 0.441 -1.649 -2.095) 2.702 8.067 ( 4.702 -2.807 5.503) 7.763 8.654 ( 5.835 -25.912 -21.105) 33.925 9.955 ( -1.476 -3.420 -4.439) 5.795 10.298 ( 0.064 -4.331 -2.298) 4.903 10.418 ( -2.989 0.585 -0.441) 3.077 11.355 ( -3.617 6.294 1.718) 7.460 11.586 ( -0.041 2.397 7.707) 8.071 12.418 ( -0.862 3.388 -1.101) 3.665 15.857 ( 3.257 0.522 -1.114) 3.482 16.695 ( 0.036 11.546 9.590) 15.009 19.300 ( -2.979 2.774 0.947) 4.179 19.337 ( -0.212 2.381 2.767) 3.657 19.421 ( 0.622 0.074 -1.126) 1.289 20.594 ( -1.035 -11.715 -7.352) 13.869 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.190 11.992 5.413) 16.641 2.010 ( 12.650 6.747 9.966) 17.461 2.659 ( -2.719 2.224 0.324) 3.528 2.928 ( 1.315 -0.581 0.732) 1.613 3.011 ( -2.924 9.021 7.089) 11.839 3.338 ( -3.700 -5.226 -1.662) 6.616 6.631 ( -0.687 0.296 -0.064) 0.751 6.844 ( 1.623 -6.718 -2.118) 7.228 6.985 ( 3.930 0.880 4.021) 5.691 7.733 ( 3.539 -1.510 -4.538) 5.950 8.140 ( 2.231 -1.663 3.411) 4.402 8.484 ( 17.348 -21.629 -17.712) 32.901 9.898 ( 0.660 -1.827 -2.810) 3.416 10.255 ( 0.710 -3.165 -1.890) 3.754 10.375 ( -2.633 0.141 0.839) 2.767 11.304 ( -8.829 4.718 -1.156) 10.077 11.665 ( 0.320 2.359 9.110) 9.416 12.375 ( -6.813 2.995 -1.299) 7.555 15.928 ( 5.245 0.462 -0.833) 5.331 16.807 ( -5.067 8.673 7.401) 12.477 19.264 ( -4.933 2.065 1.441) 5.539 19.359 ( -0.042 0.413 1.209) 1.278 19.442 ( -1.174 4.947 2.021) 5.471 20.462 ( 4.740 -11.939 -8.063) 15.167 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 9.492 6.514 5.179) 12.623 2.275 ( 3.417 6.673 4.424) 8.705 2.654 ( 2.162 1.632 -1.382) 3.041 2.928 ( 0.273 -2.322 -0.272) 2.354 3.037 ( -5.586 3.051 3.763) 7.394 3.234 ( -3.073 -2.995 0.643) 4.339 6.644 ( 1.287 1.764 -0.299) 2.204 6.788 ( 2.417 -8.417 -2.700) 9.164 7.055 ( 1.334 -0.279 2.587) 2.925 7.755 ( 5.021 -2.889 -4.945) 7.617 8.139 ( -0.333 -1.890 -0.922) 2.130 8.600 ( 25.350 -12.205 -10.688) 30.096 9.904 ( 2.532 -0.522 -0.871) 2.728 10.235 ( 1.507 -2.723 -1.102) 3.302 10.350 ( -0.808 -0.313 1.154) 1.443 11.151 ( -12.283 2.874 -1.613) 12.717 11.752 ( 0.405 2.420 8.192) 8.552 12.246 ( -10.458 2.655 -1.254) 10.862 16.023 ( 6.057 0.101 -0.156) 6.060 16.786 ( -9.299 4.804 3.875) 11.161 19.198 ( -6.066 1.232 1.902) 6.476 19.367 ( 1.159 -0.673 -0.627) 1.480 19.500 ( -3.811 9.895 6.072) 12.219 20.416 ( 9.832 -11.862 -8.604) 17.647 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.803 1.179 1.236) 2.484 2.308 ( -0.908 4.399 1.616) 4.774 2.761 ( 5.899 4.651 -2.177) 7.821 2.894 ( -1.062 -2.561 -0.627) 2.843 2.949 ( -7.049 -3.186 4.741) 9.073 3.184 ( -0.918 -0.932 -0.062) 1.310 6.699 ( 1.148 3.530 0.289) 3.723 6.740 ( 4.421 -7.813 -2.903) 9.435 7.055 ( -1.298 -1.096 -0.241) 1.716 7.784 ( 5.411 -3.455 -3.207) 7.177 8.107 ( -0.367 -1.865 -0.776) 2.053 8.897 ( 24.547 -3.653 -7.402) 25.898 9.942 ( 2.241 0.068 -0.209) 2.251 10.245 ( 4.092 -3.554 -0.812) 5.480 10.364 ( 1.806 0.095 1.374) 2.271 10.948 ( -12.632 1.385 -1.451) 12.790 11.812 ( -2.271 1.608 6.123) 6.726 12.090 ( -9.079 2.392 0.182) 9.390 16.122 ( 5.433 -0.619 1.213) 5.601 16.656 ( -11.074 1.868 0.214) 11.232 19.116 ( -6.008 0.609 1.943) 6.344 19.380 ( 1.732 -0.570 -0.943) 2.053 19.565 ( -6.330 11.020 7.482) 14.747 20.450 ( 13.240 -9.991 -8.277) 18.537 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -13.157 0.443 -0.602) 13.178 2.356 ( -1.275 1.226 -1.344) 2.222 2.791 ( -7.087 -4.589 4.164) 9.414 2.853 ( -2.864 1.448 -1.540) 3.559 2.855 ( -2.032 2.293 1.671) 3.490 3.205 ( 6.051 -1.638 -1.604) 6.471 6.690 ( 0.715 -3.869 -0.512) 3.968 6.806 ( 4.540 3.354 -0.928) 5.720 6.997 ( -2.752 -1.532 -2.187) 3.835 7.830 ( 5.018 -2.578 -0.725) 5.688 8.079 ( -1.178 -1.447 0.530) 1.940 9.211 ( 17.782 2.118 -5.132) 18.628 9.978 ( 2.459 0.022 0.150) 2.463 10.286 ( 6.372 -3.795 -3.449) 8.179 10.420 ( 2.160 1.718 0.220) 2.769 10.772 ( -6.893 -1.547 1.611) 7.246 11.731 ( -10.720 0.638 1.452) 10.837 12.054 ( 0.291 1.596 4.202) 4.505 16.201 ( 3.324 -1.638 3.528) 5.116 16.475 ( -10.592 0.911 -2.806) 10.995 19.042 ( -4.583 0.207 1.706) 4.895 19.400 ( 1.654 -0.342 -0.729) 1.840 19.581 ( -7.428 7.461 5.284) 11.779 20.557 ( 13.743 -5.454 -6.224) 16.042 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -15.788 2.155 2.487) 16.128 2.243 ( -10.370 0.497 -4.965) 11.508 2.619 ( -12.787 -3.635 7.449) 15.239 2.779 ( -4.197 0.470 -2.005) 4.675 2.871 ( -0.228 1.861 0.374) 1.911 3.314 ( 8.889 -1.165 -1.931) 9.171 6.664 ( -0.188 -1.899 -0.432) 1.956 6.907 ( 1.358 4.970 0.835) 5.219 6.924 ( -1.105 -1.203 -2.666) 3.127 7.885 ( 3.221 -1.166 1.476) 3.730 8.039 ( -3.020 -1.159 1.595) 3.607 9.450 ( 9.627 5.467 -2.634) 11.380 10.039 ( 4.438 -0.490 1.556) 4.728 10.330 ( 6.195 -3.494 -5.588) 9.045 10.430 ( -2.576 7.193 -8.123) 11.152 10.755 ( 5.561 -7.940 9.313) 13.443 11.550 ( -11.130 0.848 0.029) 11.162 12.125 ( 3.514 -0.731 4.148) 5.485 16.240 ( -0.526 -2.858 7.709) 8.239 16.301 ( -8.100 1.997 -6.041) 10.300 18.996 ( -2.057 0.076 1.338) 2.456 19.411 ( 0.199 -0.664 -0.665) 0.961 19.531 ( -5.892 1.928 1.055) 6.288 20.714 ( 11.737 -0.324 -3.372) 12.216 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -16.157 6.198 7.544) 18.878 1.984 ( -17.029 1.410 -5.134) 17.841 2.383 ( -18.409 -0.956 7.268) 19.815 2.721 ( -1.386 0.390 -1.922) 2.402 2.881 ( -0.365 0.296 0.685) 0.831 3.430 ( 7.603 -1.316 -1.981) 7.966 6.641 ( -0.849 -0.002 -1.065) 1.362 6.866 ( -2.935 -0.053 1.344) 3.229 6.992 ( 0.804 5.057 0.183) 5.124 7.922 ( -0.340 0.315 1.853) 1.910 7.986 ( -3.216 -0.793 3.473) 4.799 9.625 ( 5.665 6.747 1.020) 8.869 10.125 ( 4.847 -0.660 1.267) 5.053 10.340 ( 2.975 -4.539 -2.949) 6.176 10.423 ( 0.560 10.474 -14.283) 17.720 10.858 ( 8.320 -10.781 10.941) 17.468 11.406 ( -7.167 2.346 -0.302) 7.547 12.189 ( 4.271 -4.348 1.524) 6.283 16.163 ( -7.058 3.148 -3.129) 8.337 16.238 ( -2.666 -2.753 6.550) 7.589 18.994 ( 0.785 0.166 1.105) 1.365 19.346 ( -4.203 -4.065 -3.089) 6.613 19.478 ( -0.908 -0.035 -0.692) 1.142 20.889 ( 9.028 3.196 -1.045) 9.633 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -14.660 9.429 12.275) 21.318 1.668 ( -20.172 5.335 -3.975) 21.241 2.092 ( -22.482 2.000 9.096) 24.335 2.716 ( 1.083 1.045 -1.569) 2.174 2.871 ( -1.229 -0.683 0.868) 1.652 3.512 ( 5.574 -1.734 -2.221) 6.245 6.624 ( -0.793 1.088 -1.440) 1.972 6.837 ( -3.108 1.062 3.673) 4.927 7.031 ( -2.035 3.961 1.448) 4.683 7.898 ( -3.163 1.717 0.549) 3.641 7.977 ( -1.863 -0.361 5.627) 5.939 9.802 ( 5.753 5.847 5.957) 10.138 10.189 ( 3.614 -0.278 -2.832) 4.599 10.297 ( 0.804 -6.671 -3.363) 7.514 10.475 ( 1.597 13.211 -10.678) 17.062 10.945 ( 6.889 -10.201 9.125) 15.323 11.362 ( -1.686 2.747 0.584) 3.276 12.186 ( 3.325 -8.680 -3.808) 10.045 16.077 ( -4.956 4.406 -4.346) 7.929 16.193 ( -5.436 -2.441 8.849) 10.668 19.037 ( 2.961 0.341 1.249) 3.232 19.191 ( -3.849 -6.418 -5.412) 9.236 19.470 ( -0.190 0.105 -0.432) 0.483 21.055 ( 6.702 4.041 0.138) 7.827 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -14.470 6.474 7.509) 17.541 1.743 ( -21.026 11.662 4.102) 24.391 2.276 ( -4.790 11.450 13.426) 18.284 2.768 ( 1.013 0.719 0.577) 1.370 2.855 ( 0.002 -0.125 1.635) 1.640 3.488 ( 4.291 -2.117 -2.658) 5.474 6.663 ( 0.483 2.724 0.710) 2.856 6.902 ( -3.297 0.646 3.696) 4.995 7.056 ( -4.530 -0.928 1.700) 4.927 7.938 ( -2.139 1.186 -0.297) 2.464 7.989 ( -3.543 -0.785 1.911) 4.101 9.738 ( -7.712 -13.623 -6.167) 16.826 10.063 ( 3.491 -1.946 -1.747) 4.362 10.381 ( 0.708 1.211 2.035) 2.472 10.850 ( -0.586 -7.978 -4.959) 9.412 10.957 ( 7.817 18.819 -2.693) 20.555 11.240 ( -0.106 -12.921 10.957) 16.942 11.889 ( 7.161 1.789 -7.974) 10.866 16.004 ( -5.533 -0.207 -0.617) 5.571 16.283 ( -2.399 5.820 5.098) 8.101 19.023 ( 3.010 1.362 1.179) 3.508 19.150 ( 4.054 1.499 1.351) 4.528 19.457 ( -0.358 -0.241 -0.775) 0.887 21.123 ( 0.141 -4.423 -3.635) 5.727 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -14.316 6.591 13.705) 20.886 1.553 ( -16.686 16.396 2.025) 23.481 2.456 ( 0.215 13.732 13.078) 18.964 2.785 ( 0.842 -0.918 1.446) 1.909 2.889 ( 1.151 1.474 2.153) 2.851 3.508 ( 2.764 -2.660 -2.786) 4.740 6.704 ( -0.241 2.415 2.350) 3.378 6.873 ( -2.775 0.067 2.567) 3.780 6.977 ( -4.140 -1.005 0.007) 4.260 7.867 ( -3.186 -3.618 -1.622) 5.087 7.963 ( -1.577 0.315 2.658) 3.107 9.332 ( -12.936 -21.635 -13.142) 28.428 10.069 ( 1.601 -3.261 -2.937) 4.672 10.383 ( -1.106 -1.120 -0.386) 1.620 10.619 ( -3.872 -11.016 -9.530) 15.072 11.249 ( 1.655 10.680 11.445) 15.741 11.309 ( 9.249 1.577 3.528) 10.024 12.039 ( 10.211 5.152 -3.496) 11.959 15.907 ( -4.908 -0.191 -0.668) 4.957 16.392 ( 1.642 9.809 7.377) 12.383 19.132 ( 4.496 4.312 2.239) 6.620 19.241 ( 3.565 1.472 2.113) 4.397 19.438 ( -0.577 -0.601 -1.244) 1.497 20.992 ( -3.853 -9.293 -6.195) 11.815 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -9.600 12.355 11.047) 19.153 1.560 ( -5.574 13.916 7.935) 16.962 2.671 ( 0.895 11.366 9.349) 14.744 2.811 ( 2.081 0.010 1.001) 2.309 2.940 ( 0.495 2.574 4.363) 5.090 3.489 ( 0.894 -3.862 -2.911) 4.919 6.717 ( -1.269 -0.669 2.597) 2.967 6.848 ( -1.798 0.152 1.421) 2.297 6.909 ( -2.853 0.696 -2.200) 3.669 7.776 ( -1.610 -4.237 -1.182) 4.684 7.959 ( -0.002 -3.711 4.721) 6.005 8.777 ( -12.026 -24.245 -19.226) 33.197 10.013 ( -1.205 -3.911 -4.055) 5.761 10.315 ( -1.503 -4.884 -2.412) 5.651 10.485 ( -0.839 -1.543 -3.554) 3.965 11.383 ( 1.386 2.053 9.798) 10.106 11.518 ( 4.763 8.547 1.619) 9.918 12.249 ( 9.637 4.442 -0.283) 10.616 15.840 ( -2.409 0.282 -0.851) 2.570 16.606 ( 4.155 12.108 9.426) 15.897 19.260 ( 3.888 4.230 1.827) 6.029 19.317 ( 1.969 1.473 2.366) 3.412 19.411 ( -0.596 -0.887 -1.904) 2.184 20.758 ( -6.233 -11.404 -7.213) 14.864 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 1.570 14.819 7.660) 16.756 1.704 ( 1.696 9.328 11.271) 14.728 2.774 ( -1.776 4.255 2.878) 5.435 2.861 ( 1.684 1.143 0.067) 2.036 3.038 ( 1.340 6.802 7.427) 10.160 3.425 ( -1.059 -5.352 -2.614) 6.050 6.682 ( -1.661 -2.645 -0.135) 3.126 6.828 ( -0.254 -2.435 -1.732) 2.999 6.880 ( -0.399 1.890 0.853) 2.112 7.718 ( -1.162 -2.565 -0.618) 2.883 7.942 ( 3.859 -13.495 4.893) 14.864 8.316 ( -4.182 -13.511 -19.187) 23.836 9.921 ( -1.772 -3.435 -3.985) 5.552 10.242 ( -0.167 -3.938 -2.300) 4.563 10.456 ( -1.283 0.616 -1.020) 1.751 11.462 ( -0.770 3.431 4.017) 5.339 11.649 ( 1.276 5.110 4.328) 6.817 12.409 ( 4.733 2.756 0.307) 5.485 15.822 ( 0.536 0.466 -0.887) 1.136 16.849 ( 2.676 11.937 9.591) 15.545 19.351 ( 0.989 1.617 0.689) 2.016 19.363 ( -0.159 1.553 2.590) 3.024 19.390 ( 1.732 0.347 -1.884) 2.582 20.502 ( -5.473 -10.845 -6.922) 13.982 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 6.006 13.049 5.281) 15.305 1.933 ( 9.115 4.887 10.408) 14.673 2.766 ( -4.804 4.179 0.729) 6.408 2.882 ( 1.879 -1.758 -1.299) 2.883 3.160 ( -0.636 6.734 4.917) 8.362 3.324 ( -2.244 -6.520 -1.258) 7.010 6.626 ( -0.462 -2.820 -2.357) 3.704 6.768 ( -0.829 -4.128 -2.475) 4.884 6.943 ( 4.169 0.123 3.445) 5.409 7.659 ( -0.689 -4.255 -2.093) 4.792 7.922 ( 12.908 -15.586 -4.590) 20.751 8.148 ( -0.281 -1.027 -6.755) 6.839 9.855 ( -0.042 -2.009 -2.739) 3.397 10.202 ( 0.626 -2.806 -1.706) 3.343 10.429 ( -2.446 0.662 0.018) 2.534 11.461 ( -5.209 3.735 -0.086) 6.410 11.732 ( 0.524 2.712 6.339) 6.915 12.456 ( -1.393 1.398 -0.505) 2.037 15.854 ( 3.268 0.403 -0.825) 3.395 17.011 ( -2.823 9.003 7.558) 12.090 19.339 ( -0.374 -0.795 -1.622) 1.844 19.365 ( -2.569 1.198 2.217) 3.598 19.475 ( 4.614 3.584 1.625) 6.064 20.293 ( -2.670 -9.516 -6.412) 11.781 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 6.274 7.518 5.451) 11.207 2.213 ( 12.271 3.744 5.117) 13.812 2.710 ( -6.273 3.718 -0.997) 7.360 2.877 ( 1.694 -2.805 -2.271) 3.987 3.160 ( -5.460 -1.672 2.630) 6.287 3.254 ( -0.857 -0.877 0.128) 1.233 6.592 ( 2.383 -3.525 -3.295) 5.382 6.713 ( -0.540 -1.735 -0.711) 1.951 7.031 ( 3.360 -1.467 3.802) 5.282 7.622 ( 3.456 -4.475 -2.861) 6.337 8.037 ( 15.727 -3.224 -13.636) 21.064 8.140 ( 4.894 -3.884 5.231) 8.149 9.852 ( 2.321 -0.501 -0.861) 2.526 10.184 ( 1.048 -1.988 -1.183) 2.540 10.390 ( -2.758 0.394 0.644) 2.860 11.359 ( -9.986 2.941 -1.663) 10.542 11.804 ( 0.932 1.346 6.182) 6.395 12.389 ( -6.429 0.194 -1.535) 6.612 15.925 ( 5.312 0.113 -0.583) 5.345 17.013 ( -8.915 4.478 3.989) 10.745 19.307 ( -3.394 0.518 0.072) 3.434 19.342 ( -0.802 -0.486 0.731) 1.189 19.634 ( 5.164 7.955 4.752) 10.607 20.144 ( 1.174 -10.012 -7.159) 12.364 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 5.049 2.361 3.763) 6.725 2.423 ( 1.950 5.407 1.420) 5.921 2.654 ( 2.152 0.188 -3.131) 3.804 2.861 ( 0.650 -1.740 -1.782) 2.574 3.052 ( -5.522 -5.235 4.932) 9.068 3.220 ( -3.065 0.828 -1.916) 3.708 6.596 ( 4.003 -3.436 -1.962) 5.629 6.718 ( 0.666 2.997 0.153) 3.074 7.059 ( -0.082 -2.096 1.758) 2.737 7.644 ( 5.228 -3.475 -1.168) 6.386 8.074 ( 1.565 -0.270 -4.387) 4.666 8.423 ( 24.874 -0.335 -0.695) 24.886 9.899 ( 3.074 0.197 0.333) 3.099 10.180 ( 1.072 -1.469 -0.758) 1.971 10.365 ( -0.885 0.216 1.154) 1.470 11.174 ( -13.133 2.128 -2.311) 13.504 11.864 ( 0.880 0.132 5.192) 5.267 12.239 ( -8.903 -1.240 -2.231) 9.261 16.020 ( 6.289 -0.399 0.012) 6.301 16.871 ( -12.122 0.885 0.586) 12.168 19.235 ( -5.926 0.292 1.433) 6.103 19.345 ( 1.198 -0.301 -0.345) 1.283 19.817 ( -3.609 12.095 8.173) 15.037 20.073 ( 11.838 -11.304 -8.935) 18.648 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -4.153 -1.028 0.662) 4.330 2.413 ( -5.340 5.877 0.108) 7.941 2.756 ( 7.765 -1.164 -3.856) 8.748 2.847 ( 0.031 -0.585 -0.456) 0.743 2.958 ( -2.912 -4.402 6.938) 8.717 3.147 ( -3.642 -0.100 -3.436) 5.008 6.630 ( 2.670 -1.114 1.198) 3.131 6.787 ( 2.785 5.415 -1.333) 6.233 7.019 ( -2.425 -1.834 -0.174) 3.045 7.714 ( 6.117 -2.030 1.388) 6.593 8.072 ( 0.698 -0.725 -0.474) 1.112 8.868 ( 24.614 5.262 -0.663) 25.179 9.945 ( 1.892 0.281 0.036) 1.913 10.182 ( 1.611 -1.639 -0.476) 2.347 10.391 ( 2.540 0.577 1.644) 3.080 10.950 ( -13.265 1.400 -2.319) 13.539 11.873 ( -4.352 -0.915 2.598) 5.151 12.079 ( -4.040 -3.241 -1.263) 5.331 16.120 ( 5.969 -1.016 0.955) 6.130 16.661 ( -12.188 -0.501 -1.369) 12.275 19.143 ( -6.003 -0.095 1.392) 6.163 19.366 ( 1.606 0.017 -0.239) 1.624 19.775 ( -7.542 -0.617 -0.719) 7.601 20.259 ( 15.013 2.255 -0.068) 15.182 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -10.663 1.073 2.543) 11.014 2.359 ( -6.402 3.392 -3.881) 8.219 2.729 ( -4.207 -6.343 2.826) 8.119 2.844 ( -0.247 1.313 0.204) 1.352 2.967 ( -5.940 4.485 1.729) 7.641 3.114 ( 8.544 -4.352 -3.113) 10.081 6.664 ( -0.138 0.778 2.016) 2.165 6.879 ( 3.313 4.057 -3.296) 6.188 6.974 ( -1.789 1.557 1.606) 2.864 7.818 ( 5.542 -0.411 3.602) 6.623 8.071 ( -0.624 -0.985 1.708) 2.068 9.296 ( 17.370 9.370 0.406) 19.740 9.977 ( 2.489 -0.038 -0.289) 2.506 10.197 ( 2.758 -1.816 -1.186) 3.509 10.467 ( 2.916 2.829 0.191) 4.067 10.757 ( -8.037 -1.046 0.095) 8.105 11.721 ( -10.452 -1.889 -0.964) 10.665 12.049 ( 3.584 -5.512 0.436) 6.589 16.203 ( 4.185 -1.356 1.228) 4.568 16.458 ( -10.263 -0.152 -0.782) 10.294 19.060 ( -4.514 -0.164 1.027) 4.632 19.387 ( 1.016 -0.583 -0.492) 1.271 19.609 ( -5.762 -5.492 -4.811) 9.300 20.540 ( 11.542 6.823 2.957) 13.730 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -11.417 3.536 6.032) 13.388 2.210 ( -11.585 3.779 -5.493) 13.367 2.600 ( -6.498 -6.528 5.384) 10.669 2.825 ( -7.611 4.895 -0.203) 9.052 2.898 ( -2.008 0.777 -0.003) 2.153 3.246 ( 10.544 -2.649 -1.834) 11.025 6.659 ( -1.564 0.764 -0.429) 1.793 6.909 ( -0.515 1.028 1.553) 1.932 7.034 ( 1.365 6.529 0.525) 6.691 7.922 ( 3.142 0.806 4.349) 5.425 8.050 ( -2.400 -1.061 3.289) 4.207 9.615 ( 8.197 10.971 2.046) 13.847 10.035 ( 4.933 -0.662 -0.627) 5.017 10.219 ( 2.767 -1.743 -1.733) 3.701 10.503 ( -3.248 10.335 -7.325) 13.078 10.712 ( 4.631 -7.818 7.811) 11.982 11.532 ( -8.258 -1.742 -1.145) 8.517 12.050 ( 4.496 -8.704 -1.740) 9.949 16.225 ( -0.921 0.379 -4.382) 4.493 16.333 ( -5.507 -0.590 6.672) 8.672 19.010 ( -1.848 0.056 0.616) 1.948 19.330 ( -3.436 -6.796 -5.012) 9.117 19.477 ( -0.926 -1.687 -2.277) 2.981 20.798 ( 8.559 7.371 3.217) 11.745 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -11.032 3.625 8.363) 14.310 2.006 ( -14.982 8.374 -3.058) 17.434 2.446 ( -11.661 -2.641 7.283) 14.000 2.745 ( -4.666 4.023 -1.434) 6.326 2.888 ( -0.815 -0.473 0.903) 1.305 3.365 ( 7.877 -2.220 -2.075) 8.443 6.638 ( -0.881 0.882 -1.449) 1.911 6.919 ( -2.078 1.646 4.145) 4.921 7.105 ( -0.578 5.021 0.689) 5.101 7.969 ( -1.823 1.623 1.741) 2.998 8.034 ( -1.270 -0.633 5.579) 5.756 9.821 ( 3.975 6.683 5.001) 9.245 10.091 ( 3.663 -1.100 -5.760) 6.914 10.236 ( 1.311 -0.478 2.264) 2.660 10.532 ( -0.099 14.479 -9.145) 17.125 10.792 ( 6.917 -8.737 8.564) 14.054 11.416 ( -3.542 -1.661 0.445) 3.938 11.995 ( 3.609 -11.716 -5.930) 13.618 16.156 ( -3.812 2.340 -5.003) 6.711 16.311 ( -3.847 -0.994 8.583) 9.458 19.009 ( 1.138 0.046 0.497) 1.242 19.149 ( -3.561 -7.438 -6.056) 10.231 19.466 ( 0.248 0.041 -0.582) 0.634 21.000 ( 6.039 5.425 1.955) 8.350 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -10.226 4.500 5.202) 12.324 2.175 ( -13.229 10.265 4.910) 17.449 2.477 ( -2.154 5.800 5.705) 8.416 2.767 ( -0.219 0.513 0.666) 0.869 2.870 ( -0.954 -0.732 1.620) 2.018 3.369 ( 5.165 -2.450 -2.428) 6.211 6.675 ( 1.562 2.289 0.717) 2.863 6.974 ( -3.015 -0.577 1.839) 3.578 7.125 ( -3.941 -2.166 1.481) 4.735 7.978 ( -2.948 -0.537 -2.076) 3.646 8.046 ( -2.612 0.146 0.526) 2.668 9.725 ( -9.010 -10.434 -4.929) 14.641 9.998 ( 1.513 -1.156 -0.736) 2.042 10.401 ( 0.064 1.509 1.180) 1.916 10.701 ( 0.801 -8.773 -9.454) 12.922 10.966 ( 7.266 3.750 1.171) 8.260 11.238 ( -0.086 1.766 10.369) 10.518 11.755 ( 6.297 2.779 -4.727) 8.350 16.089 ( -4.611 0.123 0.050) 4.612 16.389 ( -1.289 3.980 2.947) 5.117 19.006 ( 3.031 2.008 4.281) 5.616 19.105 ( 3.705 2.173 -0.435) 4.317 19.454 ( -0.308 -0.405 -0.661) 0.834 21.058 ( -0.676 -4.772 -4.042) 6.290 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -9.712 7.340 8.361) 14.769 2.025 ( -19.208 11.768 4.311) 22.935 2.599 ( 2.710 8.026 6.903) 10.928 2.777 ( 0.331 -0.322 0.569) 0.732 2.887 ( 1.741 0.444 2.619) 3.176 3.403 ( 4.113 -3.486 -2.767) 6.060 6.736 ( 1.288 2.750 2.079) 3.680 6.908 ( -3.092 -3.768 0.478) 4.897 7.044 ( -4.021 -1.142 0.461) 4.205 7.870 ( -4.112 -4.223 -4.233) 7.257 8.016 ( -2.373 0.518 1.372) 2.790 9.315 ( -17.251 -18.327 -10.830) 27.400 10.003 ( 1.348 -1.982 -1.451) 2.802 10.402 ( -2.133 -0.063 -0.494) 2.190 10.494 ( -1.142 -10.566 -9.516) 14.266 11.157 ( 11.405 -3.157 5.911) 13.228 11.414 ( 0.954 14.620 8.527) 16.952 11.902 ( 9.505 4.751 -2.252) 10.862 15.995 ( -6.011 -0.054 -0.224) 6.015 16.483 ( 2.751 7.612 5.336) 9.695 19.135 ( 3.588 5.069 5.846) 8.529 19.197 ( 4.579 2.323 0.124) 5.136 19.435 ( -0.678 -0.722 -0.926) 1.356 20.918 ( -3.331 -9.523 -7.022) 12.292 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -10.571 8.665 12.024) 18.204 1.881 ( -13.527 13.936 2.693) 19.607 2.734 ( 2.245 -0.733 4.137) 4.763 2.823 ( 2.119 8.099 0.609) 8.394 2.956 ( 3.008 0.811 4.482) 5.459 3.400 ( 2.464 -4.848 -2.817) 6.125 6.754 ( -2.882 -3.358 3.754) 5.803 6.838 ( 0.240 -1.467 -3.136) 3.471 6.982 ( -3.633 1.814 -1.260) 4.252 7.735 ( -2.212 -5.941 -3.700) 7.340 7.983 ( -2.780 -2.774 4.059) 5.648 8.718 ( -19.334 -19.644 -15.245) 31.498 9.974 ( -0.708 -2.691 -2.788) 3.939 10.287 ( -2.846 -5.023 -3.459) 6.731 10.443 ( 1.882 -0.870 -2.358) 3.140 11.341 ( 8.727 -2.273 6.406) 11.061 11.598 ( 0.484 11.914 3.918) 12.551 12.121 ( 10.915 4.791 0.852) 11.951 15.901 ( -4.901 0.304 -0.424) 4.928 16.686 ( 5.915 10.050 7.563) 13.899 19.271 ( 2.445 4.103 5.453) 7.248 19.294 ( 3.754 3.098 -0.409) 4.884 19.408 ( -1.049 -0.651 -0.782) 1.461 20.691 ( -4.964 -11.932 -8.301) 15.359 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -7.717 11.188 8.988) 16.294 1.888 ( -4.600 10.503 5.809) 12.854 2.766 ( 2.468 -2.358 1.410) 3.694 2.916 ( -1.109 6.512 -0.179) 6.608 3.073 ( 4.981 2.683 4.686) 7.347 3.357 ( 0.610 -5.779 -2.207) 6.216 6.663 ( -2.019 -6.482 -0.690) 6.824 6.809 ( -1.040 -1.283 -2.515) 3.009 6.936 ( -3.364 2.713 -1.922) 4.729 7.655 ( 2.027 -6.169 -2.218) 6.862 7.872 ( -7.861 -12.950 6.414) 16.451 8.236 ( -8.131 -5.412 -14.108) 17.159 9.900 ( -2.099 -2.836 -3.169) 4.743 10.203 ( -0.836 -3.032 -2.140) 3.804 10.456 ( 1.003 0.244 -1.107) 1.513 11.476 ( 4.521 -0.290 4.672) 6.508 11.713 ( 0.270 7.375 2.008) 7.648 12.334 ( 8.038 3.264 1.702) 8.841 15.839 ( -2.497 0.443 -0.434) 2.573 16.943 ( 6.086 10.388 8.025) 14.470 19.341 ( 1.445 -1.716 0.924) 2.426 19.372 ( 0.725 5.089 0.021) 5.140 19.392 ( -0.216 0.886 1.313) 1.599 20.443 ( -4.705 -10.921 -7.382) 13.996 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.295 9.551 4.922) 10.823 1.972 ( -0.061 5.826 7.175) 9.242 2.794 ( 2.588 -1.778 -0.097) 3.142 2.921 ( -4.551 5.197 -0.188) 6.911 3.189 ( 4.486 -0.460 0.579) 4.546 3.291 ( -1.652 -3.755 0.224) 4.108 6.567 ( -0.534 -5.403 -4.084) 6.794 6.751 ( -1.673 -2.205 -1.561) 3.178 6.913 ( 0.346 0.220 0.392) 0.567 7.611 ( -0.073 -13.353 -1.441) 13.430 7.673 ( -0.172 -1.318 -0.425) 1.395 8.123 ( -0.400 0.588 -4.060) 4.122 9.829 ( -1.066 -1.852 -2.264) 3.113 10.163 ( 0.072 -1.866 -1.312) 2.282 10.459 ( -0.540 0.469 -0.376) 0.807 11.538 ( -0.287 1.272 1.594) 2.060 11.783 ( 0.255 3.446 2.666) 4.364 12.455 ( 2.679 1.347 0.621) 3.062 15.822 ( 0.350 0.332 -0.458) 0.665 17.151 ( 1.607 7.811 6.259) 10.137 19.325 ( -0.352 -1.308 -1.055) 1.717 19.416 ( -0.265 0.999 1.545) 1.859 19.427 ( 2.619 2.033 0.203) 3.322 20.246 ( -3.817 -7.059 -4.800) 9.350 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 6.048 6.418 1.187) 8.898 2.088 ( 5.862 0.058 6.205) 8.536 2.801 ( 0.906 -2.627 -3.135) 4.190 2.879 ( -6.370 6.656 0.814) 9.249 3.178 ( -0.108 -7.907 0.422) 7.919 3.272 ( -1.076 2.320 0.045) 2.557 6.504 ( 1.195 -3.041 -3.027) 4.454 6.715 ( -0.375 0.164 -0.360) 0.545 6.962 ( 4.643 -2.323 3.199) 6.098 7.522 ( 1.632 -4.352 -0.880) 4.730 7.737 ( 9.139 1.212 -5.461) 10.716 8.113 ( 0.336 -1.269 1.039) 1.674 9.812 ( 1.362 -0.305 -0.572) 1.509 10.149 ( 0.623 -1.064 -0.597) 1.370 10.441 ( -2.085 0.422 0.180) 2.135 11.506 ( -5.577 1.872 -1.025) 5.971 11.828 ( 0.725 0.482 3.326) 3.438 12.455 ( -2.955 -0.494 -1.065) 3.180 15.850 ( 3.085 0.058 -0.467) 3.121 17.198 ( -5.770 2.874 2.652) 6.970 19.306 ( -0.002 -0.471 -0.787) 0.917 19.406 ( -2.708 0.467 1.349) 3.061 19.537 ( 9.251 0.696 -0.160) 9.279 20.113 ( -4.513 -2.327 -1.673) 5.346 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 4.410 0.529 1.690) 4.753 2.267 ( 13.529 -2.013 0.116) 13.679 2.719 ( -5.138 -0.175 -3.786) 6.384 2.869 ( -3.111 5.237 0.686) 6.130 3.089 ( -2.825 -7.429 3.154) 8.551 3.258 ( -1.877 1.452 -2.174) 3.218 6.519 ( 2.917 0.883 -0.071) 3.048 6.736 ( 0.849 2.967 0.151) 3.089 7.027 ( 2.949 -3.535 3.652) 5.876 7.542 ( 3.504 -1.112 0.049) 3.676 7.935 ( 13.184 6.382 -10.340) 17.930 8.155 ( 7.267 -2.267 7.589) 10.749 9.855 ( 2.991 0.712 0.873) 3.196 10.154 ( 0.866 -0.218 0.024) 0.894 10.406 ( -2.555 0.319 0.657) 2.657 11.378 ( -10.347 1.891 -2.512) 10.814 11.861 ( 1.501 -1.746 2.991) 3.775 12.340 ( -7.409 -2.475 -2.659) 8.252 15.917 ( 5.221 -0.320 -0.312) 5.240 17.064 ( -10.821 -1.468 -0.831) 10.952 19.302 ( -0.627 0.286 -0.505) 0.854 19.359 ( -3.376 -0.260 1.484) 3.697 19.714 ( 13.057 -5.110 -4.404) 14.697 20.045 ( -4.922 6.706 4.616) 9.514 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 2.969 -4.062 -0.996) 5.129 2.479 ( 15.424 -3.128 -2.652) 15.960 2.612 ( -7.006 3.503 -2.005) 8.085 2.867 ( -2.278 3.051 -0.081) 3.809 2.986 ( -3.391 -7.462 4.137) 9.181 3.214 ( -3.773 2.140 -2.154) 4.843 6.608 ( 3.278 4.172 2.679) 5.944 6.789 ( 1.472 4.039 -1.173) 4.456 7.030 ( -0.541 -2.695 1.829) 3.302 7.618 ( 5.335 0.211 2.481) 5.887 8.037 ( 2.615 1.580 -3.572) 4.700 8.521 ( 24.531 7.267 5.186) 26.105 9.917 ( 2.391 0.723 1.097) 2.728 10.171 ( 0.304 0.864 0.783) 1.205 10.385 ( -0.432 0.259 1.185) 1.287 11.177 ( -13.323 2.023 -3.400) 13.898 11.881 ( 1.900 -3.575 2.125) 4.572 12.139 ( -9.517 -4.879 -3.881) 11.377 16.009 ( 6.358 -0.698 0.069) 6.397 16.834 ( -11.693 -3.251 -2.584) 12.409 19.245 ( -5.407 -0.255 0.214) 5.418 19.348 ( 0.678 0.079 0.882) 1.115 19.709 ( 2.628 -11.162 -9.009) 14.583 20.212 ( 5.196 13.829 9.512) 17.570 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -0.092 -5.064 -1.940) 5.424 2.516 ( -7.310 4.064 -3.216) 8.961 2.659 ( 8.907 -2.853 -2.040) 9.573 2.847 ( -0.795 -1.872 0.779) 2.178 2.923 ( 2.183 -4.247 2.052) 5.197 3.149 ( -6.414 3.886 -0.126) 7.500 6.709 ( -0.174 3.447 4.219) 5.451 6.840 ( 2.973 3.844 -4.197) 6.421 7.018 ( -0.352 1.157 1.986) 2.325 7.750 ( 6.183 1.530 4.892) 8.031 8.065 ( 1.314 -0.219 0.340) 1.374 9.064 ( 23.644 11.884 4.810) 26.896 9.954 ( 0.931 0.461 0.228) 1.064 10.188 ( -0.744 1.795 2.194) 2.931 10.424 ( 3.604 0.527 1.716) 4.026 10.947 ( -13.497 2.479 -3.967) 14.285 11.853 ( -7.117 -2.749 0.281) 7.635 11.920 ( -0.163 -9.919 -3.960) 10.681 16.109 ( 6.060 -0.872 0.224) 6.127 16.606 ( -9.712 -2.841 -2.049) 10.324 19.147 ( -5.621 -0.463 0.104) 5.641 19.363 ( 0.562 -1.324 -0.199) 1.452 19.551 ( -1.708 -9.236 -8.149) 12.435 20.513 ( 7.612 12.391 8.332) 16.760 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -2.090 -2.820 0.082) 3.511 2.397 ( -8.856 4.676 -4.350) 10.919 2.637 ( -3.379 -6.209 2.017) 7.351 2.867 ( 2.171 0.447 0.002) 2.217 2.966 ( 4.385 -4.465 -4.229) 7.554 3.109 ( -2.303 5.223 4.130) 7.046 6.698 ( -2.750 -0.056 -0.430) 2.784 6.925 ( 2.400 3.845 1.259) 4.704 7.071 ( 1.568 5.168 0.625) 5.437 7.897 ( 4.886 1.993 5.479) 7.607 8.078 ( -0.025 -1.046 2.187) 2.424 9.546 ( 15.639 12.188 3.402) 20.117 9.973 ( 1.489 0.091 -0.195) 1.505 10.216 ( -0.796 2.870 4.158) 5.115 10.529 ( 5.765 1.892 2.067) 6.410 10.745 ( -10.051 3.076 -4.142) 11.297 11.633 ( -9.031 -5.957 -2.097) 11.020 11.865 ( 3.830 -10.319 -3.218) 11.467 16.182 ( 3.331 -0.528 -1.472) 3.680 16.449 ( -5.828 -1.507 1.551) 6.216 19.060 ( -4.027 -0.134 -0.550) 4.067 19.271 ( -3.110 -9.077 -6.175) 11.411 19.455 ( 0.267 -0.926 -1.572) 1.844 20.787 ( 6.430 9.733 6.261) 13.239 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -4.272 -0.439 2.293) 4.868 2.273 ( -9.360 6.694 -2.069) 11.692 2.536 ( -3.121 -4.843 2.562) 6.305 2.889 ( -3.111 1.043 -0.003) 3.281 2.900 ( -2.587 -0.261 -0.950) 2.768 3.211 ( 6.461 0.387 0.747) 6.516 6.653 ( -1.452 -0.034 -1.273) 1.931 6.985 ( -0.422 2.131 3.312) 3.961 7.151 ( 1.051 4.861 -0.141) 4.976 8.000 ( 1.477 1.415 3.089) 3.705 8.076 ( -0.820 -0.784 3.379) 3.564 9.827 ( 5.728 5.919 0.999) 8.297 10.004 ( 2.377 -0.461 -1.549) 2.874 10.276 ( -0.322 4.387 6.425) 7.787 10.641 ( -3.274 5.293 -4.597) 7.738 10.671 ( 5.512 4.114 3.121) 7.553 11.444 ( -4.594 -7.909 -0.291) 9.151 11.787 ( 2.696 -10.471 -5.884) 12.310 16.182 ( -0.861 0.429 -3.292) 3.430 16.401 ( -2.311 -0.515 4.971) 5.506 19.006 ( -1.468 -0.509 -1.983) 2.520 19.097 ( -2.637 -6.801 -3.933) 8.287 19.458 ( 0.456 0.177 -0.295) 0.571 20.985 ( 4.339 5.816 3.317) 7.978 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -3.853 2.456 2.194) 5.069 2.376 ( 0.888 2.101 4.053) 4.651 2.543 ( 1.886 4.563 0.056) 4.938 2.836 ( -5.937 1.930 1.773) 6.490 2.889 ( -0.913 -0.340 0.931) 1.348 3.243 ( 4.113 -3.346 -2.659) 5.931 6.668 ( 1.862 1.270 0.969) 2.453 7.007 ( -1.693 -1.684 -0.952) 2.571 7.159 ( -2.557 -3.721 0.912) 4.606 7.997 ( -2.710 -1.516 -3.218) 4.472 8.081 ( -1.081 0.810 -1.213) 1.815 9.770 ( -8.591 -7.144 -1.666) 11.297 9.979 ( -0.474 -0.301 -0.470) 0.733 10.380 ( 1.600 -3.351 -4.154) 5.572 10.601 ( -2.360 -0.107 -7.503) 7.866 10.822 ( 5.410 -13.022 5.809) 15.251 11.373 ( 1.989 14.465 5.287) 15.529 11.691 ( 2.502 3.986 0.189) 4.710 16.154 ( -2.315 0.224 1.388) 2.709 16.432 ( 0.505 1.847 -0.652) 2.023 19.010 ( 3.312 1.984 6.436) 7.505 19.074 ( 2.342 3.998 -1.258) 4.801 19.453 ( -0.397 -0.362 -0.232) 0.585 21.007 ( -2.333 -5.414 -3.985) 7.115 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -4.964 5.702 4.444) 8.769 2.408 ( -8.333 6.543 5.739) 12.050 2.622 ( 2.424 2.731 1.921) 4.126 2.784 ( -1.395 2.571 -0.525) 2.972 2.886 ( -0.018 0.036 2.006) 2.006 3.267 ( 5.266 -4.721 -2.919) 7.651 6.734 ( 2.978 1.999 1.185) 3.777 6.922 ( -3.923 -5.389 -0.636) 6.696 7.081 ( -2.518 -3.035 -0.107) 3.945 7.876 ( -4.986 -3.564 -5.589) 8.295 8.062 ( -1.744 0.835 -0.431) 1.981 9.408 ( -18.767 -14.262 -6.873) 24.553 9.970 ( 0.248 -0.862 -0.418) 0.989 10.334 ( 2.475 -6.576 -7.028) 9.938 10.458 ( -5.493 -1.262 -2.704) 6.251 10.952 ( 12.568 -5.008 6.211) 14.886 11.598 ( 1.428 15.263 7.198) 16.936 11.795 ( 6.189 3.942 -0.994) 7.405 16.096 ( -5.527 0.292 0.418) 5.551 16.506 ( 4.480 4.446 2.208) 6.687 19.127 ( 5.091 -0.152 3.519) 6.191 19.194 ( 2.791 9.389 3.699) 10.470 19.438 ( -0.725 -0.338 0.026) 0.800 20.839 ( -4.288 -10.000 -7.282) 13.093 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -5.256 7.771 6.192) 11.241 2.290 ( -16.950 9.490 4.563) 19.954 2.684 ( 3.558 -4.289 2.419) 6.075 2.850 ( 3.489 7.494 -1.485) 8.398 2.923 ( 2.771 -0.342 2.122) 3.507 3.283 ( 3.935 -4.981 -1.894) 6.625 6.774 ( -2.583 -6.955 -3.586) 8.240 6.804 ( -0.056 -0.137 3.241) 3.245 7.026 ( -1.569 0.190 -1.776) 2.378 7.715 ( -4.911 -4.347 -5.038) 8.270 8.031 ( -2.486 -1.018 1.927) 3.306 8.836 ( -23.855 -15.350 -9.811) 30.016 9.953 ( -0.748 -1.283 -1.451) 2.076 10.250 ( -0.775 -4.750 -4.084) 6.312 10.403 ( 0.157 -0.000 -1.167) 1.177 11.168 ( 12.763 -2.748 5.076) 14.008 11.747 ( -2.256 10.521 3.239) 11.237 11.993 ( 11.191 5.031 1.961) 12.426 15.998 ( -6.258 0.512 -0.127) 6.281 16.689 ( 8.064 6.518 4.734) 11.398 19.231 ( 5.232 0.360 1.578) 5.476 19.330 ( 0.791 5.657 1.442) 5.892 19.441 ( -1.043 3.533 4.010) 5.445 20.595 ( -4.895 -12.810 -9.174) 16.500 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -6.375 6.834 7.256) 11.832 2.138 ( -13.369 9.343 1.861) 16.416 2.709 ( 2.671 -2.973 1.937) 4.441 2.975 ( 1.590 7.464 -1.764) 7.832 2.985 ( 6.453 -3.396 0.946) 7.353 3.281 ( 1.922 -3.736 -0.148) 4.204 6.627 ( -3.120 -7.252 -2.261) 8.212 6.799 ( -0.869 -2.239 -0.570) 2.468 7.001 ( -2.411 3.347 -3.187) 5.213 7.587 ( -2.304 -4.151 -2.349) 5.296 7.961 ( -7.096 -6.931 7.539) 12.459 8.295 ( -15.982 -5.987 -11.458) 20.556 9.899 ( -2.402 -1.761 -2.146) 3.671 10.182 ( -1.078 -2.144 -1.764) 2.978 10.420 ( 2.216 -0.112 -0.958) 2.417 11.370 ( 10.005 -1.624 4.026) 10.906 11.802 ( -1.702 6.392 0.339) 6.623 12.236 ( 9.625 4.164 3.016) 10.912 15.906 ( -5.038 0.518 -0.040) 5.064 16.940 ( 9.489 6.995 5.229) 12.897 19.309 ( 2.101 -1.039 1.163) 2.617 19.362 ( 1.954 1.704 -1.999) 3.274 19.500 ( -4.236 7.023 5.969) 10.144 20.343 ( -2.835 -12.264 -8.609) 15.250 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -7.908 4.860 4.350) 10.251 2.087 ( -3.548 4.932 0.727) 6.119 2.744 ( 1.967 -0.839 1.836) 2.818 3.021 ( 1.537 -0.038 0.490) 1.613 3.058 ( 3.287 0.085 -2.790) 4.312 3.285 ( 0.976 -0.923 1.162) 1.776 6.514 ( -1.712 -4.372 -2.348) 5.250 6.747 ( -1.324 -2.590 -0.669) 2.985 6.952 ( -4.029 2.691 -3.230) 5.823 7.520 ( -0.708 -3.996 -0.516) 4.091 7.745 ( -9.781 -6.420 5.007) 12.726 8.119 ( -1.344 1.649 -4.931) 5.370 9.829 ( -2.172 -1.361 -1.548) 2.995 10.147 ( -0.533 -0.812 -0.786) 1.250 10.449 ( 1.636 -0.018 -0.483) 1.706 11.510 ( 5.422 -0.818 2.426) 5.996 11.827 ( -0.774 3.227 -0.432) 3.346 12.410 ( 5.442 2.087 1.873) 6.122 15.844 ( -2.773 0.305 0.044) 2.790 17.172 ( 6.993 4.843 3.547) 9.216 19.308 ( 0.118 -0.969 -0.343) 1.035 19.413 ( 2.296 0.892 -0.357) 2.489 19.485 ( -6.018 3.321 2.650) 7.366 20.184 ( 0.126 -6.822 -4.716) 8.295 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.000 0.000 0.000) 0.000 2.084 ( -0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 3.035 ( -0.000 0.000 0.000) 0.000 3.072 ( 0.000 -0.000 0.000) 0.000 3.297 ( 0.000 0.000 -0.000) 0.000 6.468 ( -0.000 0.000 0.000) 0.000 6.718 ( -0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 7.484 ( -0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 8.107 ( -0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.462 ( -0.000 0.000 0.000) 0.000 11.560 ( -0.000 0.000 -0.000) 0.000 11.834 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 15.822 ( -0.000 0.000 0.000) 0.000 17.272 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.436 ( -0.000 0.000 -0.000) 0.000 19.448 ( -0.000 0.000 0.000) 0.000 20.142 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -0.000 0.000 24.881) 24.881 0.482 ( -0.000 0.000 24.881) 24.881 0.795 ( -0.000 0.000 40.919) 40.919 2.809 ( -0.000 0.000 0.244) 0.244 2.809 ( -0.000 0.000 0.244) 0.244 3.671 ( 0.000 -0.000 -1.942) 1.942 6.555 ( -0.000 0.000 2.014) 2.014 6.555 ( -0.000 0.000 2.014) 2.014 7.147 ( -0.000 0.000 1.328) 1.328 7.846 ( -0.000 0.000 1.907) 1.907 7.846 ( -0.000 0.000 1.907) 1.907 10.317 ( 0.000 -0.000 -4.640) 4.640 10.391 ( 0.000 -0.000 -0.836) 0.836 10.391 ( 0.000 -0.000 -0.836) 0.836 11.213 ( -0.000 0.000 1.846) 1.846 11.297 ( 0.000 -0.000 -2.961) 2.961 11.297 ( 0.000 -0.000 -2.961) 2.961 11.430 ( 0.000 -0.000 -0.089) 0.089 15.874 ( -0.000 0.000 2.141) 2.141 15.874 ( -0.000 0.000 2.141) 2.141 19.107 ( 0.000 -0.000 -1.035) 1.035 19.107 ( 0.000 -0.000 -1.035) 1.035 19.439 ( -0.000 0.000 0.120) 0.120 21.397 ( 0.000 -0.000 -0.447) 0.447 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 8.498 0.522 17.029) 19.038 0.881 ( 8.523 14.608 22.420) 28.084 1.256 ( 16.085 5.193 33.247) 37.297 2.797 ( -0.698 -1.043 0.115) 1.260 2.826 ( 0.674 0.690 0.805) 1.257 3.646 ( -1.002 -0.668 -2.564) 2.833 6.568 ( 0.666 0.134 1.939) 2.055 6.637 ( 4.856 2.796 2.012) 5.954 7.071 ( -5.063 -2.460 5.672) 7.991 7.844 ( 0.684 -2.288 1.459) 2.798 7.897 ( 1.095 2.903 3.166) 4.433 10.224 ( -7.618 1.200 -6.243) 9.922 10.333 ( -8.070 3.742 0.273) 8.900 10.396 ( 1.517 -0.795 -0.821) 1.899 10.569 ( -7.321 -29.177 14.242) 33.283 11.221 ( -4.112 1.151 -2.464) 4.930 11.381 ( 1.865 3.186 2.505) 4.461 11.954 ( 11.200 13.282 -17.675) 24.784 15.878 ( 1.161 -0.005 1.340) 1.773 15.964 ( 3.121 4.418 4.194) 6.845 19.069 ( -1.588 0.304 -2.561) 3.029 19.190 ( 3.294 1.528 0.013) 3.631 19.444 ( 0.312 0.163 -0.002) 0.352 21.303 ( -3.989 -4.791 -0.241) 6.239 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 19.432 8.427 6.537) 22.167 1.308 ( 9.146 15.148 19.086) 26.027 1.771 ( 15.752 5.917 25.749) 30.760 2.770 ( -0.662 -2.049 0.127) 2.157 2.852 ( 0.482 1.136 1.543) 1.975 3.590 ( -2.195 -1.667 -3.245) 4.257 6.597 ( 1.327 -0.199 1.603) 2.090 6.773 ( 5.503 3.227 2.793) 6.963 7.038 ( -1.498 -0.245 4.543) 4.790 7.850 ( 2.070 -2.269 0.422) 3.100 7.970 ( 0.854 3.876 3.792) 5.490 10.049 ( -9.418 3.111 -7.140) 12.221 10.209 ( -6.491 -3.254 1.810) 7.483 10.390 ( -1.312 -2.196 2.268) 3.419 10.468 ( 12.098 -18.974 0.660) 22.513 11.131 ( -5.857 1.462 -4.036) 7.262 11.448 ( -0.597 2.728 6.308) 6.898 11.999 ( -3.231 7.997 -12.808) 15.441 15.925 ( 2.740 1.105 1.149) 3.170 16.102 ( 3.500 6.006 5.128) 8.638 19.030 ( -1.363 0.731 -3.242) 3.592 19.224 ( -1.159 -0.764 4.582) 4.788 19.449 ( 0.319 0.153 -0.446) 0.569 21.198 ( -1.391 -5.234 -3.653) 6.532 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 19.896 9.883 3.865) 22.550 1.708 ( 9.774 11.827 14.940) 21.415 2.201 ( 10.753 7.381 18.060) 22.277 2.742 ( 0.258 -3.004 0.395) 3.041 2.881 ( -0.110 1.547 2.200) 2.692 3.500 ( -3.273 -2.823 -3.625) 5.641 6.623 ( 1.387 -1.063 1.139) 2.086 6.902 ( 3.744 2.653 3.584) 5.822 7.068 ( 1.741 1.144 2.159) 3.000 7.878 ( 3.632 -1.154 -1.247) 4.009 8.040 ( 0.006 4.206 2.925) 5.123 9.896 ( -5.083 1.723 -9.859) 11.225 10.096 ( -3.737 -4.097 1.061) 5.646 10.370 ( 0.505 -3.052 2.413) 3.924 10.520 ( 13.403 -15.014 -1.084) 20.155 11.003 ( -8.133 2.400 -4.950) 9.819 11.492 ( -3.356 3.069 9.040) 10.119 11.890 ( -8.226 5.382 -9.477) 13.655 16.001 ( 3.493 1.885 1.453) 4.227 16.248 ( 3.060 5.830 4.392) 7.915 18.999 ( -0.912 0.874 -2.670) 2.954 19.204 ( -3.820 -2.273 7.527) 8.742 19.451 ( 0.279 0.048 -0.965) 1.006 21.109 ( 0.216 -4.586 -6.128) 7.657 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 13.640 9.247 4.771) 17.155 2.042 ( 11.086 5.153 9.232) 15.319 2.474 ( 2.417 6.914 8.805) 11.453 2.745 ( 2.705 -1.674 2.321) 3.938 2.905 ( -0.669 1.632 2.359) 2.946 3.386 ( -3.768 -3.659 -3.230) 6.166 6.638 ( 1.211 -1.559 0.864) 2.155 6.988 ( 1.580 2.002 2.583) 3.630 7.131 ( 3.071 0.951 0.399) 3.239 7.926 ( 4.158 0.098 -3.323) 5.324 8.081 ( -1.131 3.620 0.838) 3.884 9.792 ( -0.134 0.158 -11.418) 11.420 10.020 ( -2.010 -2.629 0.244) 3.318 10.378 ( 1.391 -1.631 1.667) 2.715 10.599 ( 12.364 -13.537 -1.731) 18.415 10.862 ( -6.787 2.476 -3.458) 8.009 11.501 ( -8.545 5.585 9.916) 14.232 11.740 ( -7.019 1.836 -5.105) 8.871 16.089 ( 3.133 2.045 2.424) 4.458 16.360 ( 1.869 4.230 1.958) 5.022 18.985 ( -0.228 0.564 -0.614) 0.864 19.155 ( -4.897 -2.685 8.193) 9.915 19.449 ( 0.324 -0.072 -1.171) 1.217 21.042 ( 1.254 -2.961 -7.382) 8.052 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 3.245 5.248 4.647) 7.725 2.288 ( 9.947 -0.655 4.551) 10.958 2.530 ( -2.501 1.045 1.823) 3.267 2.832 ( 2.968 3.581 3.265) 5.682 2.917 ( -1.101 1.032 1.820) 2.364 3.272 ( -3.466 -3.091 -2.393) 5.224 6.647 ( 0.890 -1.253 1.000) 1.833 7.024 ( -0.180 1.257 -0.184) 1.283 7.179 ( 2.204 -0.373 -0.631) 2.322 7.966 ( 3.119 0.678 -5.045) 5.969 8.084 ( -1.591 2.450 -1.568) 3.315 9.750 ( 4.642 -1.638 -12.229) 13.182 9.981 ( -0.406 -0.900 -0.603) 1.157 10.391 ( 0.161 -0.376 -1.070) 1.145 10.576 ( -1.352 -2.264 -7.036) 7.514 10.868 ( 7.630 -4.831 4.941) 10.294 11.417 ( -13.536 6.194 6.145) 16.104 11.677 ( -1.010 0.147 4.119) 4.244 16.168 ( 1.681 1.440 3.899) 4.484 16.409 ( 0.135 1.824 -1.493) 2.361 18.995 ( 0.588 -0.723 2.773) 2.925 19.102 ( -4.566 -1.441 6.748) 8.274 19.447 ( 0.519 -0.086 -1.013) 1.141 21.002 ( 1.922 -0.773 -7.735) 8.008 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -3.620 -2.287 -0.008) 4.281 2.373 ( -3.019 -3.088 3.300) 5.435 2.488 ( -1.624 0.169 -0.686) 1.771 2.895 ( -0.161 -2.406 2.214) 3.274 2.910 ( -1.557 -0.036 1.084) 1.897 3.218 ( 0.685 2.789 -1.576) 3.276 6.657 ( 0.285 -0.394 1.510) 1.586 7.001 ( -2.072 0.056 -2.987) 3.636 7.186 ( 0.633 -1.809 -1.462) 2.411 7.979 ( 1.682 0.650 -5.507) 5.795 8.057 ( -1.718 1.068 -3.793) 4.298 9.742 ( 6.914 -3.450 -14.278) 16.235 9.990 ( 1.877 1.176 -0.201) 2.224 10.329 ( -4.795 1.760 -6.257) 8.077 10.540 ( 3.074 0.512 -4.289) 5.302 10.971 ( -0.993 1.113 8.276) 8.409 11.315 ( -3.742 -1.533 5.116) 6.521 11.741 ( 1.937 2.025 9.373) 9.782 16.216 ( -0.505 0.094 5.237) 5.263 16.381 ( -1.794 -0.482 -4.585) 4.947 19.018 ( 0.740 -3.890 6.797) 7.866 19.074 ( -2.695 2.191 3.703) 5.077 19.452 ( 0.738 -0.033 -0.668) 0.996 20.993 ( 2.431 1.404 -7.535) 8.041 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -8.382 -7.873 -4.561) 12.371 2.183 ( -13.202 -5.563 -1.919) 14.454 2.434 ( -6.303 -3.301 0.892) 7.171 2.817 ( -4.446 -3.629 1.901) 6.045 2.882 ( -1.025 -1.476 0.151) 1.803 3.327 ( 5.945 5.290 0.486) 7.973 6.667 ( -0.641 0.430 2.113) 2.250 6.927 ( -3.008 -1.158 -4.426) 5.476 7.147 ( -1.123 -2.900 -2.269) 3.850 7.962 ( -0.098 -0.277 -4.651) 4.661 8.003 ( -1.805 0.281 -5.353) 5.656 9.725 ( 6.597 -2.336 -17.012) 18.396 10.062 ( 4.189 1.747 1.548) 4.795 10.242 ( -2.680 2.077 -5.045) 6.078 10.604 ( 6.991 1.108 -6.198) 9.409 10.943 ( -13.609 8.485 11.125) 19.518 11.329 ( 4.949 -6.626 3.951) 9.166 11.894 ( 5.636 2.235 11.242) 12.773 16.213 ( -2.556 -1.937 4.007) 5.132 16.291 ( -3.759 -1.661 -4.362) 5.993 19.032 ( 0.422 -2.858 6.252) 6.887 19.099 ( -0.395 1.872 4.226) 4.639 19.461 ( 0.729 -0.059 -0.375) 0.822 21.013 ( 3.025 3.001 -7.092) 8.274 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -12.282 -11.339 -7.490) 18.318 1.828 ( -18.057 -7.467 -6.966) 20.744 2.190 ( -16.131 -10.139 4.353) 19.544 2.764 ( -1.956 0.894 1.872) 2.851 2.854 ( -0.368 -1.734 -0.029) 1.773 3.477 ( 5.620 3.610 1.209) 6.788 6.668 ( -1.724 0.600 2.476) 3.076 6.834 ( -2.750 -1.970 -4.405) 5.554 7.068 ( -2.591 -3.260 -2.919) 5.086 7.914 ( -1.966 -0.515 -2.850) 3.500 7.940 ( -1.260 -0.713 -5.472) 5.660 9.716 ( 6.575 0.935 -17.336) 18.565 10.163 ( 4.180 1.893 0.600) 4.628 10.224 ( 1.529 0.048 -0.274) 1.554 10.701 ( 8.928 0.347 -9.540) 13.070 10.871 ( -13.188 9.366 12.537) 20.465 11.366 ( 2.642 -4.356 3.420) 6.136 12.091 ( 6.702 1.832 10.266) 12.396 16.128 ( -3.183 -3.669 -6.107) 7.803 16.197 ( -5.987 -1.795 5.631) 8.412 19.066 ( 1.283 -0.239 4.836) 5.009 19.135 ( -0.054 -0.012 4.956) 4.956 19.468 ( 0.359 -0.202 -0.281) 0.499 21.059 ( 3.765 3.546 -6.678) 8.447 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -15.177 -12.502 -7.776) 21.145 1.360 ( -20.901 -8.918 -12.139) 25.764 1.801 ( -22.200 -13.175 11.822) 28.394 2.770 ( -0.295 1.240 1.590) 2.037 2.836 ( -0.178 -1.160 0.138) 1.181 3.589 ( 3.672 2.036 0.647) 4.248 6.649 ( -2.594 -0.239 2.440) 3.569 6.745 ( -2.340 -2.165 -3.637) 4.836 6.971 ( -2.986 -2.561 -2.587) 4.708 7.863 ( -1.469 -0.210 -2.787) 3.157 7.885 ( -1.229 -1.098 -1.569) 2.275 9.746 ( 6.786 3.363 -15.009) 16.811 10.226 ( 3.021 2.224 -3.602) 5.200 10.291 ( 4.377 -1.848 4.982) 6.884 10.721 ( -2.829 -1.837 1.932) 3.887 10.906 ( 2.290 8.483 -0.442) 8.798 11.376 ( -0.209 -1.962 3.009) 3.598 12.265 ( 4.784 2.192 7.060) 8.805 15.996 ( -3.176 -3.013 -6.909) 8.180 16.110 ( -6.905 -2.471 7.222) 10.293 19.127 ( 0.970 2.515 4.169) 4.965 19.157 ( 0.347 -2.169 4.549) 5.051 19.465 ( -0.179 -0.325 -0.323) 0.491 21.118 ( 4.453 2.831 -6.414) 8.305 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -18.867 -8.202 -5.238) 21.229 0.832 ( -20.288 -11.543 -10.309) 25.517 1.368 ( -24.810 -15.378 20.090) 35.435 2.792 ( 0.623 0.375 1.402) 1.580 2.824 ( -0.542 -0.473 0.242) 0.759 3.649 ( 1.919 1.006 -0.416) 2.206 6.610 ( -2.688 -1.289 2.134) 3.666 6.667 ( -2.315 -1.823 -2.798) 4.063 6.905 ( -1.549 -0.824 0.812) 1.934 7.829 ( 0.177 -1.044 -1.904) 2.179 7.862 ( -1.401 0.177 2.244) 2.651 9.822 ( 7.385 4.870 -9.086) 12.681 10.277 ( 3.466 1.337 -3.210) 4.910 10.365 ( 2.898 -1.315 3.006) 4.377 10.650 ( -4.339 -5.416 7.692) 10.359 11.043 ( 6.625 6.808 -5.314) 10.885 11.361 ( -2.018 -0.535 2.217) 3.045 12.367 ( 0.891 2.875 0.274) 3.022 15.891 ( -2.133 -1.495 -4.382) 5.097 16.016 ( -6.635 -2.201 6.341) 9.438 19.155 ( -1.870 0.765 2.569) 3.268 19.198 ( 1.996 -0.168 3.741) 4.243 19.453 ( -0.477 -0.298 -0.246) 0.614 21.177 ( 4.971 1.188 -5.439) 7.464 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -5.959 -0.618 21.617) 22.432 0.906 ( 8.544 4.007 25.557) 27.244 1.529 ( -1.694 20.054 30.872) 36.852 2.813 ( -1.083 0.485 0.139) 1.194 2.825 ( 0.798 0.744 0.701) 1.297 3.630 ( -0.097 -0.921 -2.993) 3.133 6.602 ( -0.360 1.888 2.163) 2.893 6.624 ( 0.127 2.606 3.528) 4.388 7.092 ( 0.357 -6.404 4.575) 7.878 7.854 ( -2.457 -1.407 2.088) 3.518 7.916 ( 2.168 2.476 3.145) 4.552 10.109 ( 3.566 -20.263 -2.692) 20.750 10.263 ( -0.581 -6.423 -2.229) 6.823 10.390 ( -0.523 0.666 -0.807) 1.170 10.790 ( -19.391 -12.115 3.024) 23.064 11.130 ( 10.934 -4.863 0.044) 11.967 11.348 ( 1.403 3.758 1.077) 4.153 11.956 ( 4.422 23.109 -12.334) 26.566 15.859 ( -0.203 -2.012 1.742) 2.669 16.022 ( 1.699 8.137 4.970) 9.685 19.131 ( 5.161 4.351 -2.612) 7.238 19.149 ( -4.523 4.253 -1.397) 6.364 19.443 ( -0.024 0.148 -0.035) 0.154 21.272 ( -1.899 -10.433 0.196) 10.607 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 7.595 7.632 15.661) 19.005 1.317 ( 14.458 4.895 21.309) 26.212 1.917 ( 3.408 18.426 26.068) 32.104 2.783 ( -2.303 -0.368 0.172) 2.338 2.861 ( 1.177 1.463 1.290) 2.278 3.584 ( -1.558 -1.629 -3.561) 4.214 6.612 ( -1.014 1.091 2.499) 2.909 6.731 ( 5.037 3.274 3.271) 6.840 7.060 ( -0.349 -4.790 4.298) 6.445 7.816 ( -0.745 -2.322 0.947) 2.616 8.003 ( 2.233 3.014 3.746) 5.302 9.913 ( 4.557 -28.185 -5.833) 29.141 10.157 ( -1.600 -7.951 -2.214) 8.407 10.378 ( -2.009 1.744 -1.277) 2.951 10.463 ( -9.226 -1.644 -0.535) 9.387 11.175 ( -1.196 -0.488 0.091) 1.295 11.456 ( 3.905 2.114 4.408) 6.257 12.110 ( -1.447 16.195 -10.638) 19.430 15.875 ( 2.779 -1.474 1.536) 3.501 16.185 ( 1.959 10.865 5.514) 12.340 19.100 ( -4.928 5.702 -3.112) 8.154 19.239 ( 2.964 2.370 1.533) 4.093 19.443 ( 0.125 -0.131 -0.463) 0.498 21.115 ( -1.888 -12.261 -1.559) 12.503 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 15.564 11.314 9.540) 21.477 1.713 ( 11.944 5.369 16.617) 21.157 2.305 ( 5.514 14.996 20.037) 25.627 2.736 ( -2.452 -1.129 0.227) 2.709 2.905 ( 0.867 1.628 1.958) 2.691 3.501 ( -2.956 -2.585 -3.959) 5.576 6.619 ( -0.465 -0.032 1.949) 2.004 6.874 ( 5.327 3.155 3.226) 6.981 7.050 ( 1.111 -3.485 2.862) 4.645 7.803 ( 1.911 -2.008 -1.332) 3.075 8.086 ( 1.288 3.138 2.953) 4.498 9.685 ( 7.585 -27.422 -10.970) 30.493 10.049 ( -0.774 -7.036 -1.474) 7.230 10.336 ( -2.237 0.657 -0.325) 2.354 10.395 ( -0.054 -1.058 -0.350) 1.115 11.118 ( -5.968 2.873 -2.334) 7.023 11.555 ( 1.782 0.566 7.970) 8.186 12.098 ( -8.882 13.125 -8.269) 17.875 15.938 ( 4.789 -1.016 1.810) 5.220 16.346 ( 0.003 11.436 4.832) 12.414 19.059 ( -4.185 5.892 -2.860) 7.773 19.288 ( -1.424 -0.090 6.629) 6.781 19.438 ( 0.220 -0.434 -1.092) 1.196 20.973 ( 1.371 -11.168 -5.453) 12.503 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 16.633 10.901 7.055) 21.101 2.012 ( 7.235 4.354 10.991) 13.860 2.622 ( 2.153 12.743 13.229) 18.494 2.689 ( 0.157 -2.950 0.622) 3.019 2.941 ( 0.070 1.231 2.304) 2.613 3.391 ( -3.644 -3.358 -3.580) 6.113 6.622 ( 0.104 -0.649 1.245) 1.408 6.992 ( 2.827 2.281 2.843) 4.612 7.063 ( 3.164 -3.605 0.458) 4.819 7.824 ( 4.191 -0.854 -4.155) 5.963 8.134 ( -0.439 2.543 0.870) 2.723 9.515 ( 10.696 -22.557 -14.180) 28.711 9.985 ( 0.619 -4.756 -0.596) 4.833 10.333 ( 1.952 -2.101 2.112) 3.562 10.396 ( 2.425 -2.234 -0.465) 3.330 11.005 ( -8.868 4.031 -3.991) 10.527 11.633 ( 0.143 0.288 10.342) 10.347 11.984 ( -13.240 11.624 -5.605) 18.489 16.033 ( 5.718 -0.780 2.641) 6.346 16.453 ( -2.491 9.845 2.558) 10.472 19.040 ( -3.217 5.595 -1.051) 6.539 19.279 ( -4.720 -1.507 9.857) 11.032 19.430 ( 0.435 -0.646 -1.445) 1.641 20.880 ( 4.372 -8.824 -8.648) 13.106 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 11.070 8.790 6.557) 15.582 2.171 ( 4.073 0.464 4.819) 6.327 2.629 ( -4.300 1.557 1.017) 4.685 2.843 ( 3.180 5.144 6.522) 8.894 2.956 ( -0.859 0.273 2.105) 2.290 3.280 ( -3.260 -3.296 -2.226) 5.143 6.631 ( 0.797 -0.311 0.914) 1.251 7.039 ( -0.064 0.306 1.039) 1.085 7.085 ( 4.271 -4.335 -2.016) 6.411 7.863 ( 4.659 0.046 -6.441) 7.950 8.133 ( -1.881 1.739 -1.278) 2.863 9.429 ( 12.391 -15.699 -15.594) 25.361 9.961 ( 0.632 -1.722 -0.893) 2.040 10.367 ( 1.708 -0.811 0.668) 2.006 10.440 ( 7.079 -5.800 1.106) 9.218 10.870 ( -7.220 2.458 -2.470) 8.017 11.695 ( -2.785 1.364 11.282) 11.700 11.832 ( -13.159 10.018 -1.734) 16.629 16.140 ( 5.263 -0.905 4.114) 6.741 16.479 ( -4.687 6.703 -0.789) 8.218 19.044 ( -2.515 3.920 2.224) 5.161 19.239 ( -6.041 -0.392 9.958) 11.654 19.424 ( 0.802 -0.701 -1.446) 1.796 20.838 ( 6.359 -6.118 -10.264) 13.536 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -5.164 -0.916 0.324) 5.255 2.346 ( 6.850 -0.046 5.628) 8.865 2.577 ( -5.043 4.369 -0.317) 6.680 2.903 ( -1.455 -1.318 2.220) 2.963 2.952 ( -1.772 -0.275 2.445) 3.032 3.215 ( -0.038 -0.076 -1.275) 1.278 6.655 ( 1.078 0.613 1.252) 1.763 7.015 ( -1.601 -1.477 -1.952) 2.924 7.086 ( 3.579 -5.533 -3.536) 7.479 7.894 ( 3.867 0.479 -7.089) 8.089 8.095 ( -2.793 1.435 -2.691) 4.135 9.416 ( 11.974 -8.467 -17.288) 22.671 9.964 ( 1.554 0.420 -1.039) 1.916 10.369 ( -1.351 1.080 -3.120) 3.568 10.474 ( 2.329 -2.898 -3.546) 5.138 10.855 ( 6.074 -4.660 6.801) 10.240 11.612 ( -15.088 6.160 4.461) 16.896 11.829 ( -0.728 4.787 9.592) 10.745 16.235 ( 3.273 -1.390 6.180) 7.130 16.420 ( -5.990 3.205 -4.165) 7.969 19.048 ( -2.318 -0.555 6.013) 6.468 19.215 ( -5.419 4.225 7.581) 10.232 19.426 ( 1.223 -0.540 -1.310) 1.871 20.840 ( 7.334 -3.698 -10.673) 13.467 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -9.616 -5.863 -2.674) 11.576 2.311 ( -8.796 -3.313 -2.583) 9.748 2.567 ( -5.639 3.908 4.605) 8.263 2.849 ( -2.404 -3.892 2.325) 5.131 2.902 ( -3.137 -2.616 1.741) 4.440 3.274 ( 5.226 3.531 -1.178) 6.416 6.689 ( 0.480 1.169 2.029) 2.390 6.938 ( -2.909 -2.231 -3.984) 5.414 7.057 ( 2.825 -6.154 -4.326) 8.035 7.912 ( 2.424 0.776 -5.775) 6.311 8.035 ( -3.704 1.565 -3.543) 5.359 9.431 ( 10.057 -2.148 -20.138) 22.612 10.015 ( 3.863 1.506 -0.320) 4.159 10.296 ( -4.789 2.736 -5.703) 7.934 10.477 ( 4.232 -1.845 -4.446) 6.409 11.009 ( 10.767 -7.450 10.196) 16.595 11.446 ( -14.286 4.412 5.757) 16.022 11.953 ( 1.689 4.761 11.534) 12.592 16.289 ( -3.890 -1.027 6.589) 7.720 16.303 ( -2.361 -0.526 -4.726) 5.309 19.037 ( -1.219 -3.585 7.187) 8.123 19.233 ( -4.674 7.222 6.066) 10.526 19.436 ( 1.404 -0.290 -1.110) 1.813 20.871 ( 7.634 -1.794 -10.597) 13.183 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -13.544 -8.391 -3.006) 16.214 2.027 ( -16.878 -2.223 -8.510) 19.032 2.435 ( -14.805 -4.024 9.013) 17.793 2.805 ( -1.847 -1.682 2.091) 3.258 2.853 ( -0.827 -1.207 0.865) 1.700 3.408 ( 6.778 2.957 -0.513) 7.413 6.709 ( -0.762 -0.181 2.156) 2.294 6.842 ( -3.169 -1.081 -3.838) 5.094 7.010 ( 1.381 -4.937 -4.165) 6.605 7.915 ( 0.448 0.811 -3.242) 3.372 7.958 ( -4.362 1.625 -3.784) 5.999 9.462 ( 9.358 2.866 -21.323) 23.462 10.105 ( 4.808 1.909 -1.054) 5.280 10.232 ( -1.911 2.173 -2.393) 3.755 10.514 ( 6.306 -1.613 -6.838) 9.440 11.153 ( 3.351 -2.799 10.003) 10.914 11.309 ( -7.444 -1.159 6.206) 9.761 12.115 ( 3.468 4.039 11.370) 12.554 16.148 ( -6.203 -0.660 -6.320) 8.880 16.301 ( -3.212 -2.700 9.094) 10.015 19.042 ( 1.109 -3.960 6.564) 7.746 19.261 ( -4.599 6.609 5.205) 9.587 19.450 ( 1.088 -0.019 -0.865) 1.390 20.921 ( 7.530 -0.356 -10.474) 12.905 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -16.477 -6.802 0.454) 17.832 1.618 ( -22.454 -0.359 -11.643) 25.296 2.148 ( -20.645 -7.828 13.755) 26.014 2.775 ( -0.219 -2.448 0.869) 2.607 2.851 ( -0.761 1.017 1.203) 1.750 3.530 ( 5.436 1.435 -0.569) 5.651 6.679 ( -1.374 -3.177 0.061) 3.461 6.775 ( -3.608 1.643 -0.709) 4.027 6.961 ( -0.433 -2.061 -2.739) 3.455 7.869 ( -2.958 0.410 -4.280) 5.219 7.919 ( -1.637 1.915 1.146) 2.767 9.535 ( 9.562 6.284 -18.739) 21.956 10.169 ( 2.969 2.455 -5.943) 7.083 10.261 ( 2.506 0.685 4.143) 4.890 10.558 ( 6.878 -2.858 -8.740) 11.484 11.147 ( -9.833 5.506 7.926) 13.778 11.306 ( 5.456 -8.278 6.299) 11.746 12.275 ( 3.717 2.407 8.863) 9.908 16.009 ( -5.073 -0.305 -5.588) 7.554 16.254 ( -6.244 -2.910 9.891) 12.053 19.081 ( 3.090 -3.811 6.085) 7.817 19.267 ( -4.253 4.141 3.540) 6.911 19.459 ( 0.351 0.189 -0.625) 0.741 20.981 ( 7.076 0.912 -10.132) 12.392 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -17.449 0.292 8.384) 19.361 1.148 ( -25.830 3.081 -10.505) 28.054 1.788 ( -24.269 -9.718 18.956) 32.292 2.766 ( 1.306 -2.166 0.541) 2.586 2.852 ( -1.235 0.813 1.068) 1.824 3.606 ( 3.452 0.253 -1.318) 3.703 6.624 ( -1.322 -2.841 -0.260) 3.144 6.729 ( -4.392 2.108 1.116) 4.998 6.931 ( -1.025 0.756 0.441) 1.348 7.815 ( -1.192 0.399 -2.415) 2.723 7.922 ( -2.055 1.618 3.793) 4.608 9.673 ( 10.132 9.450 -11.780) 18.186 10.203 ( 3.444 1.897 -6.027) 7.196 10.338 ( 2.563 0.387 3.521) 4.372 10.553 ( 3.754 -7.541 -6.403) 10.581 11.119 ( -3.720 6.035 3.505) 7.909 11.347 ( 2.510 -5.288 5.809) 8.246 12.375 ( 1.643 -0.287 2.746) 3.213 15.911 ( -3.491 1.120 -3.537) 5.095 16.170 ( -7.788 -2.643 9.293) 12.410 19.139 ( 3.037 -3.431 5.521) 7.175 19.241 ( -2.939 0.097 0.775) 3.041 19.457 ( -0.294 0.195 -0.443) 0.567 21.050 ( 6.464 2.704 -8.317) 10.875 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -6.299 9.357 15.444) 19.124 1.139 ( -12.611 -0.659 23.643) 26.804 1.948 ( -4.192 17.774 24.297) 30.395 2.812 ( 1.703 0.943 0.826) 2.114 2.846 ( -1.099 0.839 1.011) 1.713 3.591 ( 1.261 -1.136 -3.405) 3.805 6.627 ( 0.414 2.258 2.648) 3.504 6.730 ( -5.011 3.212 3.065) 6.695 7.048 ( 0.604 -5.199 4.318) 6.785 7.897 ( -1.161 -0.406 1.457) 1.906 7.926 ( -0.164 0.796 3.088) 3.193 9.860 ( -1.474 -21.937 -3.980) 22.344 10.200 ( 0.490 -4.514 -3.251) 5.585 10.393 ( -0.081 -0.007 -0.451) 0.458 10.904 ( -10.733 -14.621 -8.413) 19.994 10.944 ( 14.556 12.320 5.451) 19.834 11.391 ( -2.093 -0.235 3.039) 3.697 11.971 ( 5.937 11.465 -8.082) 15.232 15.877 ( -3.015 -2.229 1.854) 4.183 16.124 ( -0.012 8.658 5.823) 10.434 19.068 ( 4.689 4.145 -2.769) 6.843 19.245 ( -2.109 2.293 1.837) 3.617 19.444 ( -0.142 -0.147 -0.378) 0.430 21.190 ( -0.214 -8.050 -2.793) 8.523 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -3.565 6.406 17.808) 19.258 1.306 ( 7.539 4.936 23.322) 25.002 2.229 ( -0.441 17.471 20.122) 26.652 2.834 ( -2.163 1.122 0.886) 2.593 2.858 ( 1.408 1.534 1.447) 2.536 3.563 ( -0.436 -1.593 -3.699) 4.051 6.669 ( -1.162 1.730 2.603) 3.334 6.733 ( 0.292 3.373 3.980) 5.225 7.024 ( 0.556 -6.369 3.410) 7.246 7.837 ( -3.103 -2.936 1.706) 4.600 8.003 ( 3.111 2.071 3.035) 4.814 9.531 ( -1.047 -32.758 -6.869) 33.487 10.113 ( -1.984 -4.920 -4.374) 6.876 10.391 ( 0.044 0.128 -0.772) 0.784 10.548 ( -8.477 -8.083 -6.649) 13.468 11.211 ( 1.693 5.898 5.693) 8.371 11.444 ( 3.703 4.387 1.462) 5.924 12.162 ( 5.357 12.572 -6.596) 15.174 15.844 ( 0.153 -1.774 1.710) 2.469 16.297 ( 2.645 12.282 6.542) 14.165 19.195 ( 5.812 5.079 -1.789) 7.923 19.226 ( -4.469 4.966 -0.734) 6.721 19.436 ( -0.037 -0.592 -0.673) 0.897 21.027 ( -3.725 -13.742 -1.638) 14.332 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 7.134 11.021 14.180) 19.324 1.661 ( 11.948 3.815 19.605) 23.273 2.498 ( 1.443 12.625 13.566) 18.588 2.813 ( -3.635 3.400 2.575) 5.604 2.908 ( 1.535 1.267 1.735) 2.641 3.497 ( -2.245 -2.333 -3.865) 5.042 6.661 ( -2.346 0.414 2.415) 3.392 6.839 ( 4.594 3.103 3.608) 6.614 6.997 ( 1.447 -6.240 2.264) 6.794 7.773 ( -1.603 -2.908 0.091) 3.321 8.092 ( 2.837 1.855 2.358) 4.129 9.171 ( 5.781 -35.987 -10.107) 37.824 10.004 ( -1.898 -4.616 -3.713) 6.220 10.368 ( -1.141 -4.394 -2.633) 5.248 10.393 ( -2.496 1.403 -1.499) 3.231 11.246 ( -5.097 5.586 1.086) 7.640 11.572 ( 3.614 3.277 5.191) 7.124 12.263 ( -1.967 10.739 -6.099) 12.506 15.868 ( 3.176 -1.401 1.807) 3.913 16.496 ( 0.849 13.499 5.642) 14.655 19.191 ( -5.151 6.886 -1.962) 8.820 19.315 ( 3.295 2.833 2.283) 4.909 19.422 ( 0.042 -0.864 -1.279) 1.543 20.820 ( -1.957 -14.849 -3.042) 15.283 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 12.312 11.589 10.518) 19.913 1.991 ( 9.641 3.847 13.685) 17.177 2.642 ( 1.109 0.732 3.192) 3.458 2.852 ( -3.021 10.331 7.863) 13.329 2.950 ( 1.015 0.591 1.613) 1.995 3.399 ( -3.453 -2.954 -3.223) 5.571 6.639 ( -1.548 -0.456 1.542) 2.232 6.949 ( 3.759 -2.069 -0.225) 4.296 6.994 ( 2.840 -2.119 3.707) 5.128 7.737 ( 1.398 -1.967 -2.842) 3.728 8.148 ( 1.057 1.112 -0.419) 1.590 8.940 ( 14.024 -32.175 -9.814) 36.444 9.930 ( 0.189 -3.441 -1.902) 3.936 10.308 ( 0.211 -3.039 -1.163) 3.261 10.372 ( -1.015 0.277 -0.613) 1.217 11.181 ( -8.687 5.972 -2.677) 10.876 11.685 ( 1.934 1.811 8.328) 8.739 12.237 ( -8.111 9.514 -5.044) 13.481 15.941 ( 5.422 -1.303 2.255) 6.015 16.633 ( -3.243 12.340 3.320) 13.184 19.169 ( -4.622 7.442 -0.544) 8.777 19.377 ( -0.686 -0.117 5.356) 5.402 19.411 ( 0.102 -0.029 -0.042) 0.114 20.655 ( 2.576 -13.185 -6.883) 15.094 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 13.030 8.620 8.442) 17.758 2.200 ( 2.298 4.265 6.250) 7.908 2.650 ( 0.785 -1.695 0.407) 1.912 2.953 ( -1.742 7.099 6.004) 9.459 2.966 ( -0.385 -0.464 1.127) 1.279 3.295 ( -3.552 -2.879 -1.526) 4.820 6.628 ( -0.021 -0.010 0.654) 0.654 6.936 ( 3.442 -8.043 -2.358) 9.061 7.058 ( 0.775 1.255 1.910) 2.413 7.746 ( 4.038 -0.642 -5.535) 6.881 8.145 ( -0.113 -0.301 -3.161) 3.178 8.894 ( 18.380 -22.483 -8.135) 30.158 9.918 ( 1.839 -1.696 -0.627) 2.579 10.301 ( 3.293 -4.113 1.018) 5.367 10.358 ( -0.082 -0.233 -0.555) 0.608 11.044 ( -10.849 5.190 -4.604) 12.878 11.781 ( 0.884 1.152 10.012) 10.117 12.128 ( -11.587 8.315 -3.105) 14.596 16.047 ( 6.614 -1.497 3.038) 7.430 16.661 ( -7.261 9.177 0.283) 11.706 19.169 ( -4.346 5.569 3.048) 7.694 19.376 ( -0.745 -0.534 1.713) 1.943 19.418 ( -2.869 1.537 5.882) 6.722 20.568 ( 7.290 -10.434 -10.599) 16.564 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -4.922 0.893 0.927) 5.088 2.257 ( 8.704 3.678 6.584) 11.517 2.664 ( 0.224 3.312 -0.980) 3.462 2.939 ( -2.020 -2.105 0.488) 2.958 2.994 ( -1.999 1.131 3.985) 4.600 3.215 ( -2.053 -1.887 -0.573) 2.847 6.650 ( 1.410 1.418 0.457) 2.051 6.893 ( 3.932 -9.445 -3.608) 10.848 7.057 ( -1.892 0.381 -1.260) 2.305 7.780 ( 4.726 0.247 -6.314) 7.891 8.112 ( -0.496 -0.413 -3.540) 3.598 8.987 ( 17.493 -10.625 -9.239) 22.456 9.935 ( 1.531 0.039 -1.092) 1.881 10.338 ( 4.791 -5.387 0.009) 7.210 10.366 ( 1.702 -0.058 0.383) 1.745 10.890 ( -8.003 2.374 -2.149) 8.620 11.847 ( -3.307 0.621 8.648) 9.279 12.003 ( -9.037 6.961 1.304) 11.481 16.163 ( 6.418 -1.939 3.886) 7.749 16.580 ( -9.666 5.344 -1.951) 11.216 19.153 ( -4.995 0.342 6.876) 8.505 19.380 ( 0.684 0.553 -0.241) 0.911 19.425 ( -5.075 5.809 6.856) 10.320 20.558 ( 10.413 -7.774 -12.253) 17.860 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -10.588 -1.636 -1.141) 10.774 2.365 ( -1.283 -2.035 1.376) 2.771 2.712 ( -1.184 7.618 0.384) 7.719 2.870 ( -3.284 -3.240 1.150) 4.754 2.954 ( -4.380 -3.692 4.455) 7.257 3.207 ( 3.478 0.245 -1.942) 3.991 6.700 ( 1.287 2.131 1.224) 2.774 6.846 ( 4.002 -8.084 -4.367) 10.022 6.999 ( -2.797 -0.461 -3.199) 4.274 7.827 ( 4.440 1.077 -5.070) 6.825 8.077 ( -1.577 0.590 -2.707) 3.188 9.121 ( 12.743 -0.029 -14.001) 18.932 9.964 ( 2.764 0.930 -1.381) 3.226 10.352 ( 2.251 -1.837 -2.235) 3.666 10.367 ( -1.225 -0.349 -3.613) 3.831 10.857 ( 4.185 -4.376 6.845) 9.138 11.739 ( -12.586 1.581 3.437) 13.142 12.040 ( 0.855 3.596 8.551) 9.316 16.259 ( 4.098 -2.002 2.399) 5.153 16.438 ( -9.627 1.806 -0.244) 9.798 19.103 ( -4.554 -2.974 7.674) 9.406 19.398 ( 1.761 -0.258 -1.378) 2.251 19.447 ( -6.322 9.216 6.487) 12.922 20.603 ( 11.473 -4.976 -12.024) 17.349 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -14.031 -1.990 0.328) 14.175 2.217 ( -12.027 -0.927 -4.870) 13.008 2.684 ( -10.437 0.927 4.742) 11.501 2.827 ( -1.396 -2.940 3.048) 4.459 2.868 ( -2.282 -2.266 2.592) 4.130 3.300 ( 7.543 1.217 -2.276) 7.972 6.713 ( -0.626 -2.555 0.011) 2.631 6.842 ( 2.579 0.484 -2.068) 3.341 6.932 ( -1.228 -1.374 -3.089) 3.597 7.879 ( 2.927 1.659 -2.807) 4.382 8.032 ( -3.530 1.635 -1.620) 4.215 9.230 ( 8.804 8.005 -19.125) 22.525 10.030 ( 4.712 1.400 -2.098) 5.345 10.292 ( -4.253 3.244 -3.996) 6.677 10.369 ( 4.280 -3.593 -3.159) 6.420 10.988 ( 10.442 -8.528 10.792) 17.269 11.556 ( -12.678 0.529 3.678) 13.212 12.158 ( 3.081 1.667 8.735) 9.412 16.220 ( -6.014 1.198 -7.639) 9.796 16.371 ( -1.775 -3.345 11.394) 12.006 19.057 ( -2.248 -3.625 6.703) 7.945 19.409 ( -0.083 0.357 -0.605) 0.707 19.462 ( -4.776 6.249 3.581) 8.642 20.687 ( 10.789 -1.438 -10.757) 15.303 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -16.042 1.391 4.582) 16.742 1.917 ( -18.965 1.362 -6.969) 20.251 2.488 ( -16.680 -3.324 10.397) 19.934 2.760 ( -1.509 -4.364 1.155) 4.760 2.878 ( -0.104 0.843 1.679) 1.882 3.425 ( 7.414 0.500 -2.040) 7.706 6.661 ( -1.080 -2.860 -1.305) 3.324 6.859 ( -3.205 2.326 1.647) 4.289 6.920 ( 2.445 0.929 -2.254) 3.453 7.900 ( -1.350 1.774 -2.650) 3.463 7.988 ( -2.826 2.346 1.905) 4.138 9.349 ( 8.626 13.247 -19.684) 25.246 10.095 ( 3.681 1.899 -6.210) 7.465 10.271 ( 0.011 2.329 1.176) 2.609 10.387 ( 4.704 -3.391 -4.502) 7.341 11.137 ( 9.288 -10.017 9.942) 16.895 11.388 ( -10.483 0.760 4.151) 11.300 12.271 ( 3.865 -1.148 6.630) 7.760 16.079 ( -6.400 1.918 -6.083) 9.035 16.372 ( -3.438 -4.132 11.913) 13.070 19.051 ( 0.809 -3.478 6.002) 6.984 19.378 ( -3.920 -0.168 -0.117) 3.925 19.461 ( -0.922 1.566 -0.118) 1.821 20.796 ( 9.070 2.635 -8.974) 13.029 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -16.422 6.941 7.651) 19.401 1.555 ( -22.281 4.801 -2.856) 22.971 2.210 ( -21.143 -4.965 15.346) 26.593 2.725 ( 0.936 -2.637 0.020) 2.798 2.884 ( -1.005 0.205 1.498) 1.815 3.519 ( 5.481 -0.565 -2.399) 6.009 6.618 ( -0.865 -1.294 -0.700) 1.706 6.832 ( -3.696 1.812 2.966) 5.074 6.959 ( 0.177 3.403 0.065) 3.408 7.852 ( -3.329 2.263 -2.472) 4.724 8.001 ( -1.801 1.737 5.045) 5.631 9.539 ( 10.365 16.649 -14.212) 24.220 10.119 ( 3.227 1.724 -8.458) 9.215 10.329 ( 2.128 1.569 2.442) 3.599 10.392 ( 3.494 -4.771 -4.031) 7.157 11.181 ( 1.106 -8.562 3.691) 9.389 11.332 ( -1.136 1.431 7.788) 7.999 12.327 ( 2.607 -5.525 1.712) 6.345 15.978 ( -4.681 3.109 -3.783) 6.774 16.323 ( -6.376 -4.147 10.904) 13.295 19.091 ( 3.025 -3.192 6.129) 7.544 19.275 ( -4.287 -4.467 -2.700) 6.755 19.460 ( -0.090 0.437 -0.890) 0.995 20.926 ( 7.426 6.198 -6.851) 11.853 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -12.837 13.573 9.503) 20.960 1.524 ( -17.440 -1.059 18.678) 25.576 2.290 ( -3.167 12.262 16.584) 20.867 2.800 ( 1.634 1.048 1.729) 2.599 2.877 ( -0.402 0.714 2.153) 2.304 3.522 ( 2.838 -1.299 -3.718) 4.854 6.662 ( 0.414 2.707 2.270) 3.557 6.864 ( -4.965 2.391 2.642) 6.111 7.038 ( -1.873 -3.553 2.652) 4.813 7.903 ( 0.505 1.206 -0.383) 1.362 7.972 ( -3.010 -1.760 2.175) 4.110 9.687 ( -5.613 -19.231 -6.655) 21.110 10.119 ( 1.885 -4.029 -2.108) 4.922 10.390 ( -0.110 -0.235 -0.237) 0.351 10.812 ( -5.243 -14.703 -9.636) 18.345 10.926 ( 12.420 20.547 1.898) 24.084 11.436 ( -2.300 -4.988 6.297) 8.356 11.897 ( 7.537 6.104 -4.590) 10.730 15.937 ( -4.990 -2.094 2.104) 5.806 16.252 ( -0.890 8.221 5.181) 9.758 19.026 ( 3.201 4.271 -2.200) 5.773 19.284 ( 1.582 -0.546 6.406) 6.621 19.440 ( -0.299 -0.330 -1.003) 1.098 21.093 ( 0.409 -5.369 -6.511) 8.449 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -10.319 8.925 13.961) 19.520 1.471 ( -3.973 4.331 21.488) 22.277 2.487 ( 0.019 13.152 12.007) 17.809 2.835 ( 1.270 -0.571 1.443) 2.005 2.909 ( -0.592 3.254 3.641) 4.919 3.518 ( 1.132 -1.707 -3.832) 4.345 6.710 ( 0.072 2.357 2.904) 3.741 6.827 ( -4.019 2.710 2.564) 5.483 6.979 ( -0.866 -6.378 1.842) 6.695 7.862 ( -2.387 -4.344 1.002) 5.057 7.989 ( 2.118 1.662 1.900) 3.295 9.255 ( -9.404 -32.021 -8.433) 34.423 10.066 ( -0.909 -4.344 -4.020) 5.988 10.376 ( -0.250 -1.820 -1.186) 2.186 10.531 ( -4.888 -8.125 -7.250) 11.936 11.279 ( 6.437 13.362 4.026) 15.368 11.439 ( 1.029 1.040 2.693) 3.065 12.107 ( 9.426 9.201 -2.843) 13.475 15.860 ( -2.833 -1.938 1.971) 3.958 16.414 ( 2.873 12.572 6.528) 14.454 19.139 ( 5.300 6.297 -2.179) 8.514 19.321 ( -1.673 2.035 3.385) 4.289 19.423 ( -0.105 -1.120 -1.063) 1.548 20.943 ( -3.358 -11.880 -5.059) 13.341 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.272 9.983 14.899) 17.980 1.676 ( 5.502 4.258 20.458) 21.609 2.655 ( -0.588 9.218 4.993) 10.500 2.861 ( 1.771 0.072 0.753) 1.926 2.965 ( -1.219 5.370 6.328) 8.389 3.477 ( -0.757 -2.443 -3.756) 4.544 6.722 ( -2.535 -0.109 2.643) 3.663 6.841 ( 0.883 2.556 3.127) 4.134 6.919 ( 0.912 -6.905 0.336) 6.973 7.785 ( -2.578 -4.033 0.945) 4.879 8.064 ( 3.453 0.955 2.061) 4.133 8.734 ( -4.008 -36.229 -9.626) 37.700 9.970 ( -1.992 -4.216 -3.931) 6.099 10.313 ( -0.564 -5.108 -3.020) 5.961 10.430 ( -1.692 0.938 -2.083) 2.843 11.400 ( -4.345 5.930 3.960) 8.350 11.556 ( 6.073 5.779 1.021) 8.445 12.297 ( 4.673 8.100 -3.312) 9.921 15.836 ( 0.371 -1.448 2.007) 2.502 16.639 ( 2.756 14.343 5.878) 15.744 19.278 ( 5.419 5.116 -0.851) 7.501 19.317 ( -3.625 4.276 0.632) 5.641 19.403 ( 0.024 -1.355 -1.115) 1.755 20.715 ( -4.552 -14.754 -3.525) 15.838 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 6.373 11.162 12.192) 17.716 1.954 ( 8.947 2.297 16.805) 19.177 2.694 ( -3.106 3.497 0.200) 4.682 2.902 ( 2.454 -0.467 -0.179) 2.504 3.050 ( -1.657 7.804 6.112) 10.050 3.402 ( -2.286 -3.103 -2.803) 4.766 6.676 ( -2.730 -1.954 1.572) 3.708 6.856 ( 1.367 -6.214 -1.794) 6.611 6.951 ( 4.716 0.959 4.152) 6.356 7.711 ( -2.208 -3.100 -0.411) 3.828 8.121 ( 1.333 0.377 -3.510) 3.773 8.380 ( 8.842 -32.381 -3.432) 33.742 9.888 ( -0.605 -3.171 -2.456) 4.056 10.254 ( 0.526 -3.776 -2.053) 4.330 10.406 ( -1.911 1.412 -0.960) 2.563 11.366 ( -7.556 5.699 -0.486) 9.477 11.703 ( 3.959 3.767 4.230) 6.911 12.367 ( -1.835 6.601 -3.869) 7.869 15.868 ( 3.321 -1.331 2.188) 4.193 16.822 ( -1.361 13.514 3.391) 13.999 19.305 ( -3.351 4.855 0.656) 5.935 19.378 ( -0.000 -0.573 0.723) 0.922 19.407 ( 3.846 3.188 0.048) 4.996 20.485 ( -2.615 -14.338 -4.385) 15.220 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 9.258 9.014 9.588) 16.090 2.206 ( 7.408 2.434 10.201) 12.839 2.655 ( -3.215 1.001 -0.676) 3.435 2.920 ( 2.003 -2.557 -1.524) 3.588 3.109 ( -3.237 6.029 3.018) 7.479 3.315 ( -2.787 -3.144 -0.934) 4.304 6.631 ( -0.606 -1.895 -0.161) 1.996 6.799 ( 1.532 -7.366 -2.492) 7.926 7.057 ( 2.886 0.874 3.319) 4.485 7.661 ( 0.963 -2.058 -2.840) 3.637 8.068 ( 3.366 -5.135 -9.825) 11.586 8.372 ( 15.283 -18.268 5.220) 24.383 9.866 ( 1.830 -1.595 -0.618) 2.505 10.228 ( 1.485 -3.240 -0.810) 3.654 10.379 ( -1.987 0.938 -0.449) 2.243 11.253 ( -10.689 5.562 -3.943) 12.678 11.818 ( 2.662 1.713 6.467) 7.201 12.324 ( -6.817 5.101 -3.666) 9.270 15.945 ( 5.629 -1.508 2.518) 6.348 16.879 ( -6.954 10.231 0.062) 12.370 19.305 ( -2.698 2.669 3.104) 4.903 19.364 ( -1.144 -0.245 0.927) 1.493 19.513 ( 2.217 5.205 3.786) 6.808 20.308 ( 1.929 -12.412 -8.073) 14.931 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 8.211 3.978 7.947) 12.099 2.338 ( -1.810 4.502 2.331) 5.383 2.633 ( 2.202 -0.166 -0.887) 2.380 2.905 ( 1.284 -3.541 -1.963) 4.248 3.100 ( -4.455 2.476 2.441) 5.651 3.235 ( -2.953 -2.904 -0.560) 4.179 6.626 ( 2.450 -0.689 -1.952) 3.207 6.744 ( 1.423 -6.085 -1.356) 6.394 7.086 ( -1.318 -0.023 0.539) 1.424 7.670 ( 4.033 -0.676 -3.844) 5.612 8.044 ( 3.854 -2.010 -7.233) 8.438 8.552 ( 18.712 -10.292 4.098) 21.745 9.897 ( 2.501 -0.111 -0.165) 2.509 10.228 ( 2.612 -3.706 0.379) 4.550 10.362 ( -0.479 0.616 0.079) 0.784 11.077 ( -12.134 4.581 -5.320) 14.018 11.908 ( 1.571 0.078 7.404) 7.570 12.207 ( -9.094 3.258 -2.583) 9.999 16.052 ( 6.878 -1.901 2.881) 7.696 16.797 ( -10.783 5.991 -2.282) 12.545 19.288 ( -4.856 -1.199 7.388) 8.921 19.351 ( 0.200 -0.534 -0.233) 0.616 19.628 ( -2.134 10.636 6.303) 12.546 20.219 ( 8.772 -10.636 -12.025) 18.294 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -9.105 1.555 1.075) 9.299 2.357 ( 1.871 0.667 3.610) 4.121 2.715 ( 5.735 2.873 -2.279) 6.807 2.875 ( 0.108 -2.706 -1.477) 3.085 3.048 ( -5.488 -0.650 4.498) 7.126 3.159 ( -1.077 -2.976 -1.883) 3.683 6.671 ( 5.440 -1.206 -3.475) 6.567 6.718 ( 0.201 -1.141 1.030) 1.550 7.035 ( -3.431 -0.458 -1.682) 3.848 7.727 ( 5.267 0.680 -3.008) 6.104 8.052 ( 2.337 0.113 -4.253) 4.854 8.820 ( 17.287 -0.502 -1.144) 17.332 9.929 ( 1.488 0.846 -1.184) 2.081 10.243 ( 3.213 -4.406 0.538) 5.480 10.379 ( 0.995 1.304 -0.327) 1.673 10.900 ( -8.247 1.388 -2.036) 8.607 11.924 ( -6.041 -1.088 4.170) 7.420 12.103 ( -2.477 0.728 1.901) 3.206 16.164 ( 6.400 -2.186 2.449) 7.193 16.631 ( -11.453 2.417 -1.800) 11.843 19.216 ( -6.272 -3.826 8.171) 10.988 19.361 ( 1.476 0.092 -0.955) 1.760 19.690 ( -7.152 9.495 4.867) 12.845 20.260 ( 14.210 -5.295 -11.029) 18.751 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -12.877 2.645 2.024) 13.301 2.333 ( -5.408 -1.518 -0.838) 5.680 2.798 ( 0.858 1.396 -1.706) 2.366 2.834 ( -1.536 -0.687 0.085) 1.684 2.960 ( -7.268 -2.415 6.435) 10.004 3.158 ( 6.349 -2.091 -2.753) 7.229 6.687 ( 0.511 -2.639 0.049) 2.688 6.776 ( 4.338 3.934 -2.173) 6.247 6.965 ( -3.159 0.322 -0.762) 3.266 7.816 ( 5.109 2.056 -1.324) 5.664 8.063 ( 0.316 1.084 -1.679) 2.023 9.069 ( 10.774 9.916 -9.579) 17.497 9.961 ( 2.865 0.963 -1.837) 3.537 10.254 ( 2.906 -4.236 0.008) 5.137 10.378 ( -3.151 4.195 -3.933) 6.557 10.851 ( 3.238 -5.310 6.579) 9.053 11.764 ( -11.204 -1.820 1.348) 11.431 12.144 ( 3.449 -2.395 4.905) 6.457 16.227 ( 1.563 -0.838 -2.412) 2.994 16.478 ( -7.241 -1.033 4.860) 8.781 19.126 ( -5.053 -4.111 6.598) 9.272 19.383 ( 1.457 0.326 -0.985) 1.789 19.635 ( -7.317 1.890 -0.053) 7.558 20.428 ( 13.024 2.887 -6.571) 14.871 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -13.913 5.207 4.820) 15.618 2.159 ( -12.320 -0.321 -2.555) 12.587 2.732 ( -5.780 2.152 -2.198) 6.547 2.783 ( -7.568 -6.435 8.039) 12.779 2.896 ( -0.733 0.119 2.266) 2.385 3.267 ( 9.208 -0.989 -2.613) 9.623 6.657 ( -1.590 -0.966 -0.386) 1.900 6.871 ( 3.777 3.060 -2.133) 5.308 6.942 ( -1.801 3.163 2.279) 4.294 7.903 ( 2.468 2.854 -0.530) 3.810 8.060 ( -1.659 1.342 1.322) 2.511 9.262 ( 6.769 18.324 -15.961) 25.226 10.012 ( 3.571 1.083 -4.142) 5.575 10.262 ( 2.596 -3.424 0.208) 4.302 10.339 ( -2.645 4.546 -2.949) 6.030 10.949 ( 8.920 -9.624 10.152) 16.591 11.571 ( -10.123 -2.029 1.875) 10.493 12.201 ( 4.397 -5.797 3.467) 8.060 16.161 ( -5.010 2.024 -6.343) 8.332 16.445 ( -1.706 -4.191 11.221) 12.099 19.064 ( -2.113 -3.618 5.321) 6.773 19.389 ( -0.484 -1.325 -1.615) 2.144 19.508 ( -4.626 -2.797 -2.954) 6.160 20.640 ( 9.824 7.854 -4.190) 13.257 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -14.171 8.907 5.189) 17.523 1.912 ( -16.239 1.776 1.612) 16.416 2.576 ( -16.146 -1.901 10.681) 19.452 2.690 ( -0.210 -2.208 -0.830) 2.368 2.906 ( -0.305 -0.272 1.737) 1.785 3.383 ( 7.594 -1.264 -2.772) 8.182 6.622 ( -1.195 -0.186 -0.702) 1.398 6.912 ( -1.238 1.649 3.149) 3.764 6.996 ( 0.756 5.823 0.219) 5.876 7.920 ( -2.706 3.243 -2.154) 4.742 8.070 ( -0.898 0.838 4.925) 5.075 9.480 ( 8.220 22.679 -15.172) 28.497 10.032 ( 2.179 0.981 -7.244) 7.628 10.280 ( 2.611 -2.872 0.630) 3.932 10.353 ( 0.364 3.770 -0.200) 3.792 11.042 ( 6.492 -11.049 7.166) 14.683 11.442 ( -5.335 -0.368 4.537) 7.013 12.203 ( 3.383 -10.419 -0.146) 10.955 16.067 ( -4.793 3.492 -4.128) 7.225 16.432 ( -3.600 -4.827 10.488) 12.094 19.059 ( 1.408 -3.161 5.375) 6.392 19.267 ( -4.662 -7.660 -4.527) 10.045 19.456 ( 0.103 0.235 -1.495) 1.517 20.843 ( 7.275 9.525 -3.847) 12.588 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -12.638 10.384 7.793) 18.118 1.925 ( -17.303 3.309 12.237) 21.449 2.488 ( -0.610 6.263 7.905) 10.104 2.802 ( 1.148 0.696 3.349) 3.608 2.899 ( 0.129 -0.101 3.045) 3.050 3.427 ( 4.072 -1.467 -3.676) 5.679 6.688 ( 1.309 2.965 1.686) 3.653 6.955 ( -2.934 -0.395 1.498) 3.318 7.078 ( -4.362 -1.656 0.673) 4.714 7.905 ( -1.073 0.152 -2.759) 2.964 8.009 ( -2.559 -1.630 -0.198) 3.040 9.595 ( -8.395 -14.439 -7.824) 18.444 10.043 ( 1.799 -3.075 -0.870) 3.667 10.394 ( -0.393 0.398 -0.355) 0.662 10.663 ( -1.153 -12.881 -11.452) 17.275 10.960 ( 8.145 19.340 1.224) 21.021 11.443 ( 0.169 -6.548 8.202) 10.497 11.803 ( 7.090 4.050 -0.348) 8.173 16.025 ( -5.902 -1.924 2.618) 6.737 16.364 ( -0.119 7.004 3.250) 7.722 19.019 ( 1.901 4.964 -0.521) 5.341 19.267 ( 4.427 -2.500 9.142) 10.460 19.437 ( -0.486 -0.187 -1.144) 1.257 20.995 ( -0.307 -3.969 -9.327) 10.141 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -11.466 12.329 8.894) 19.042 1.765 ( -12.805 2.138 17.483) 21.776 2.627 ( 2.202 9.307 4.311) 10.490 2.820 ( 0.376 -1.952 2.214) 2.975 2.958 ( 1.686 2.251 5.372) 6.064 3.443 ( 2.666 -2.090 -3.938) 5.195 6.749 ( 0.641 3.113 2.064) 3.790 6.905 ( -2.339 -1.938 0.544) 3.086 6.975 ( -4.746 -3.461 0.103) 5.875 7.839 ( -1.219 -5.930 -1.164) 6.165 7.993 ( 0.271 1.776 -0.190) 1.807 9.129 ( -15.996 -27.665 -7.157) 32.748 10.014 ( -0.158 -3.424 -2.808) 4.431 10.360 ( -2.267 -3.344 -2.191) 4.595 10.467 ( -0.559 -5.913 -5.905) 8.375 11.270 ( 9.862 12.770 -3.254) 16.460 11.486 ( -0.430 1.931 9.058) 9.271 12.008 ( 10.315 6.971 0.224) 12.451 15.923 ( -5.185 -1.965 2.284) 5.996 16.515 ( 3.688 11.394 5.079) 13.008 19.123 ( 3.391 7.488 -0.823) 8.261 19.355 ( 2.126 -1.511 6.956) 7.429 19.414 ( -1.055 -0.529 -0.841) 1.449 20.843 ( -2.602 -9.791 -9.033) 13.573 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -9.121 9.654 11.943) 17.862 1.814 ( -1.604 4.577 17.879) 18.525 2.757 ( 0.494 7.968 0.428) 7.994 2.827 ( 1.614 -1.543 0.782) 2.366 3.050 ( 1.574 3.343 6.111) 7.142 3.423 ( 1.028 -3.127 -3.921) 5.119 6.777 ( -2.232 -0.280 3.312) 4.003 6.834 ( -0.174 -6.808 -2.331) 7.198 6.894 ( -2.418 0.991 0.283) 2.629 7.763 ( -0.001 -6.149 -0.395) 6.162 8.033 ( 2.347 0.808 1.389) 2.844 8.520 ( -15.505 -31.048 -5.735) 35.175 9.941 ( -1.841 -3.526 -3.339) 5.193 10.261 ( -1.207 -4.647 -2.899) 5.608 10.437 ( 0.342 0.593 -1.844) 1.967 11.480 ( 6.499 3.355 -1.305) 7.430 11.558 ( -1.154 8.570 4.416) 9.709 12.241 ( 8.519 6.766 -0.569) 10.894 15.855 ( -2.634 -1.443 2.394) 3.841 16.746 ( 4.953 13.602 4.713) 15.224 19.250 ( 3.684 6.846 -0.572) 7.795 19.377 ( -0.544 -1.548 -1.487) 2.214 19.402 ( -0.870 0.811 4.589) 4.740 20.623 ( -3.986 -12.871 -6.922) 15.148 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.083 9.384 11.184) 14.600 1.976 ( 3.446 1.865 16.741) 17.194 2.790 ( -2.729 4.675 -0.875) 5.483 2.849 ( 1.625 -0.778 -1.142) 2.133 3.146 ( 1.287 4.438 3.397) 5.735 3.371 ( -0.352 -4.032 -3.020) 5.050 6.689 ( -2.552 -7.675 0.430) 8.099 6.783 ( -0.459 -2.665 -1.740) 3.215 6.915 ( 2.783 0.678 2.193) 3.608 7.714 ( -0.198 -3.704 -0.250) 3.718 8.011 ( -7.007 -24.676 -5.891) 26.319 8.099 ( 3.797 -2.627 4.919) 6.746 9.860 ( -1.404 -2.851 -2.274) 3.908 10.201 ( 0.131 -3.107 -1.780) 3.583 10.436 ( -0.674 1.380 -1.145) 1.916 11.515 ( -3.873 2.401 1.879) 4.929 11.689 ( 4.412 6.868 -0.454) 8.175 12.390 ( 3.129 5.090 -2.148) 6.349 15.838 ( 0.331 -1.314 2.499) 2.843 16.966 ( 2.143 13.323 2.235) 13.679 19.340 ( -0.669 -1.238 -1.513) 2.066 19.362 ( 3.686 4.282 -0.646) 5.687 19.427 ( -0.969 1.827 4.390) 4.853 20.392 ( -4.222 -12.263 -5.113) 13.941 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 5.766 7.528 8.277) 12.587 2.161 ( 6.454 -1.116 13.329) 14.851 2.761 ( -5.739 5.201 -1.538) 7.896 2.843 ( 1.745 -3.224 -2.590) 4.489 3.204 ( -0.701 4.025 -0.183) 4.089 3.302 ( -1.102 -4.736 -1.148) 4.996 6.589 ( -0.321 -6.817 -1.406) 6.968 6.736 ( -0.849 -2.491 -0.697) 2.722 7.012 ( 5.487 -0.321 3.716) 6.634 7.645 ( -3.816 -4.515 0.542) 5.936 7.790 ( 7.591 -13.033 -6.234) 16.320 8.172 ( 4.725 -4.108 6.252) 8.848 9.824 ( 0.851 -1.424 -0.469) 1.724 10.177 ( 0.879 -2.246 -0.784) 2.536 10.422 ( -1.902 1.349 -0.711) 2.438 11.442 ( -8.327 3.728 -1.848) 9.309 11.810 ( 3.947 3.003 1.710) 5.246 12.416 ( -2.456 3.209 -3.410) 5.287 15.871 ( 3.201 -1.482 2.565) 4.362 17.070 ( -4.113 10.125 -1.436) 11.023 19.314 ( -0.061 -1.007 -0.863) 1.327 19.449 ( -1.797 -0.243 7.137) 7.364 19.480 ( 6.428 4.743 -0.990) 8.049 20.188 ( -4.027 -8.899 -5.195) 11.063 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 7.367 3.787 6.203) 10.348 2.330 ( 7.332 -1.658 7.436) 10.573 2.675 ( -6.944 2.565 -2.796) 7.913 2.830 ( 1.686 -1.847 -2.392) 3.461 3.198 ( -3.309 2.591 -0.624) 4.248 3.230 ( -1.267 -4.986 -0.901) 5.222 6.541 ( 2.018 -3.626 -1.792) 4.520 6.712 ( -0.095 -0.402 0.669) 0.786 7.093 ( 1.516 -1.036 2.435) 3.049 7.589 ( 2.002 -2.856 -0.732) 3.564 7.841 ( 10.574 -2.787 -6.754) 12.853 8.283 ( 9.493 -5.829 9.877) 14.888 9.852 ( 2.770 0.002 0.771) 2.875 10.174 ( 1.252 -1.789 0.133) 2.188 10.394 ( -2.202 1.070 -0.220) 2.458 11.289 ( -11.655 4.226 -5.223) 13.453 11.902 ( 3.292 0.016 3.657) 4.920 12.335 ( -6.574 0.994 -3.960) 7.739 15.946 ( 5.510 -1.830 2.633) 6.375 17.007 ( -9.683 5.417 -4.244) 11.879 19.308 ( 0.554 -0.720 -0.097) 0.914 19.429 ( -4.569 -3.057 8.672) 10.268 19.682 ( 11.338 6.848 -0.427) 13.252 20.017 ( -4.361 -5.051 -5.802) 8.843 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 3.930 -2.379 4.740) 6.601 2.453 ( -0.517 4.663 2.134) 5.154 2.590 ( 2.448 -2.055 -3.323) 4.611 2.829 ( 0.920 -0.244 -1.509) 1.784 3.141 ( -2.927 -5.739 2.958) 7.089 3.154 ( -3.603 1.931 -3.650) 5.480 6.566 ( 3.953 0.402 -1.194) 4.149 6.731 ( 0.322 1.873 1.490) 2.415 7.073 ( -2.596 -1.228 -0.307) 2.888 7.633 ( 4.963 -0.075 -0.440) 4.983 7.950 ( 6.947 1.715 -6.056) 9.374 8.538 ( 17.531 -1.987 10.351) 20.455 9.907 ( 2.151 0.878 0.439) 2.365 10.183 ( 1.261 -1.601 0.926) 2.239 10.379 ( -0.317 0.893 0.361) 1.014 11.083 ( -12.629 3.664 -6.338) 14.598 11.965 ( 2.012 -2.259 4.639) 5.538 12.179 ( -7.868 -1.815 -3.940) 8.985 16.046 ( 6.665 -2.180 2.486) 7.440 16.827 ( -11.579 1.571 -4.504) 12.523 19.303 ( -1.796 -2.722 3.006) 4.435 19.367 ( -3.396 -2.025 4.788) 6.210 19.851 ( 0.307 -9.016 -9.833) 13.344 19.978 ( 7.724 14.266 4.367) 16.800 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -3.805 -3.669 2.071) 5.677 2.409 ( -7.121 3.731 -0.580) 8.060 2.699 ( 9.707 -1.564 -1.452) 9.939 2.840 ( 0.584 0.906 -0.282) 1.115 3.053 ( -0.852 -4.517 -2.832) 5.399 3.090 ( -5.074 0.161 3.257) 6.032 6.655 ( 3.878 3.451 0.781) 5.249 6.760 ( 0.111 2.203 -0.780) 2.340 7.014 ( -2.538 0.218 -0.211) 2.556 7.739 ( 6.094 2.282 0.687) 6.544 8.026 ( 3.742 2.101 -3.149) 5.323 8.909 ( 16.566 7.287 3.892) 18.512 9.937 ( 0.653 1.218 -0.674) 1.538 10.196 ( 1.101 -1.422 1.595) 2.404 10.407 ( 1.313 2.007 -0.444) 2.440 10.887 ( -8.432 0.406 -2.876) 8.919 11.918 ( -8.996 -2.725 0.872) 9.440 12.064 ( 2.568 -6.269 0.222) 6.778 16.144 ( 5.532 -2.007 1.035) 5.975 16.627 ( -9.568 -0.764 -1.389) 9.698 19.214 ( -5.724 -4.943 4.921) 9.023 19.366 ( 0.640 0.637 0.386) 0.982 19.682 ( -3.537 -8.210 -7.348) 11.572 20.290 ( 9.851 13.583 2.422) 16.953 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -7.130 -0.194 3.206) 7.820 2.294 ( -8.149 1.107 -2.445) 8.580 2.760 ( -0.819 -3.992 1.059) 4.210 2.856 ( 0.563 1.474 0.943) 1.838 2.979 ( -4.707 -0.258 -2.146) 5.180 3.094 ( 5.892 -1.675 2.339) 6.556 6.694 ( -2.880 0.502 0.860) 3.048 6.824 ( 5.137 5.442 -2.248) 7.814 7.007 ( -0.903 2.604 1.885) 3.339 7.872 ( 4.996 3.578 1.227) 6.266 8.076 ( 1.511 1.365 -0.264) 2.054 9.240 ( 9.402 17.287 -6.128) 20.610 9.959 ( 1.639 1.018 -1.194) 2.269 10.215 ( 0.992 -0.654 2.407) 2.685 10.422 ( -2.622 5.612 -4.134) 7.447 10.813 ( 2.534 -6.561 5.346) 8.834 11.716 ( -9.949 -3.813 0.132) 10.656 12.063 ( 4.538 -9.617 1.013) 10.682 16.181 ( 0.367 -0.155 -2.903) 2.930 16.507 ( -3.704 -2.877 5.121) 6.944 19.109 ( -4.135 -4.156 3.114) 6.638 19.372 ( -0.634 -2.022 -0.888) 2.298 19.498 ( -3.158 -6.921 -5.322) 9.284 20.583 ( 8.042 13.314 1.017) 15.587 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -7.581 3.210 5.292) 9.787 2.138 ( -10.816 1.924 -1.092) 11.040 2.673 ( -2.948 -5.974 1.735) 6.884 2.845 ( -8.536 2.795 2.550) 9.337 2.910 ( 0.063 -0.696 1.095) 1.299 3.219 ( 8.366 -1.006 -0.784) 8.463 6.646 ( -2.261 -0.051 -0.660) 2.356 6.944 ( 2.528 4.549 1.455) 5.404 7.045 ( 0.203 4.642 0.780) 4.712 7.961 ( 0.675 3.575 -1.014) 3.777 8.105 ( 0.343 0.112 2.823) 2.846 9.496 ( 6.303 22.710 -12.760) 26.800 9.983 ( 1.034 0.926 -2.777) 3.105 10.251 ( 0.917 1.116 3.416) 3.709 10.407 ( -2.207 6.420 -3.116) 7.470 10.868 ( 6.952 -10.042 6.922) 14.039 11.549 ( -6.401 -3.226 3.126) 7.820 12.021 ( 3.513 -13.695 -1.215) 14.190 16.139 ( -2.962 2.115 -3.233) 4.867 16.484 ( -1.230 -4.299 7.298) 8.559 19.048 ( -0.659 -3.578 2.440) 4.380 19.235 ( -4.587 -9.199 -2.978) 10.702 19.444 ( 0.389 0.454 -1.395) 1.518 20.819 ( 5.850 11.550 -1.274) 13.009 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -7.672 3.782 7.207) 11.185 2.297 ( -11.387 8.748 6.667) 15.832 2.548 ( 1.474 2.778 1.859) 3.653 2.811 ( -0.249 -1.565 3.708) 4.032 2.911 ( 0.023 -0.967 2.758) 2.923 3.313 ( 4.797 -2.228 -3.486) 6.334 6.697 ( 1.903 2.517 1.324) 3.422 6.982 ( -1.861 -2.129 -1.050) 3.016 7.136 ( -3.858 -1.781 -0.271) 4.258 7.903 ( -2.517 -1.563 -5.176) 5.963 8.025 ( -1.531 -0.058 -2.993) 3.362 9.585 ( -9.559 -7.825 -9.404) 15.525 9.992 ( 1.048 -1.599 -0.373) 1.948 10.385 ( 1.717 -1.594 -3.446) 4.167 10.499 ( -1.460 -6.944 -8.729) 11.249 11.003 ( 4.199 5.751 2.761) 7.638 11.434 ( 3.452 2.593 7.725) 8.850 11.750 ( 3.879 1.675 4.781) 6.380 16.122 ( -5.498 -1.858 3.087) 6.574 16.422 ( 1.824 5.021 0.811) 5.403 19.049 ( 1.088 5.575 1.372) 5.844 19.214 ( 5.696 -2.721 10.060) 11.876 19.439 ( -0.478 0.091 -0.625) 0.792 20.914 ( -2.135 -3.653 -10.773) 11.574 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -6.603 6.517 9.233) 13.089 2.164 ( -17.622 7.099 9.075) 21.054 2.660 ( 4.423 7.061 -0.307) 8.338 2.806 ( 0.134 -3.572 2.336) 4.270 2.958 ( 3.183 -0.224 4.613) 5.609 3.340 ( 3.900 -2.741 -3.710) 6.041 6.762 ( 1.960 2.320 -0.177) 3.042 6.908 ( -2.713 -4.412 -0.212) 5.184 7.033 ( -4.723 -2.399 -1.333) 5.463 7.790 ( -2.324 -6.167 -3.665) 7.541 8.005 ( -0.285 2.384 -2.862) 3.736 9.154 ( -18.938 -20.341 -5.767) 28.384 9.975 ( -0.242 -2.173 -1.485) 2.643 10.335 ( -1.299 -7.456 -6.020) 9.671 10.391 ( 0.464 0.242 -1.421) 1.514 11.168 ( 9.649 4.523 -3.145) 11.111 11.596 ( 0.263 8.344 9.081) 12.335 11.910 ( 9.176 4.487 2.905) 10.619 16.017 ( -6.260 -1.807 2.370) 6.933 16.564 ( 5.274 8.683 3.009) 10.595 19.153 ( 2.492 7.688 1.053) 8.150 19.327 ( 3.228 -2.239 6.451) 7.554 19.434 ( -0.573 0.196 2.627) 2.696 20.734 ( -3.227 -8.648 -11.961) 15.109 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -9.449 9.123 6.502) 14.656 2.035 ( -9.883 4.020 14.562) 18.052 2.782 ( 1.999 -0.595 0.858) 2.255 2.804 ( 2.295 5.296 -1.760) 6.034 3.046 ( 4.200 -0.908 4.128) 5.958 3.339 ( 2.173 -3.186 -3.419) 5.154 6.753 ( -0.539 -6.180 -4.876) 7.890 6.836 ( -2.699 -1.281 4.095) 5.069 6.939 ( -3.090 0.174 -2.919) 4.254 7.684 ( -0.264 -7.094 -1.833) 7.332 8.019 ( 1.102 1.949 -1.205) 2.543 8.560 ( -22.008 -23.585 -0.561) 32.264 9.923 ( -1.755 -2.376 -2.359) 3.780 10.228 ( -1.625 -3.902 -2.411) 4.866 10.409 ( 1.948 0.314 -1.442) 2.444 11.356 ( 10.117 4.080 -4.073) 11.644 11.692 ( -2.222 6.142 5.655) 8.640 12.150 ( 10.071 6.127 1.812) 11.927 15.923 ( -4.963 -1.345 2.720) 5.818 16.786 ( 7.308 10.887 2.509) 13.350 19.280 ( 2.152 7.343 1.649) 7.828 19.352 ( 0.975 -1.918 0.410) 2.190 19.455 ( -1.548 0.569 5.882) 6.109 20.507 ( -2.986 -11.416 -10.725) 15.946 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -7.398 7.350 7.374) 12.772 2.076 ( -1.643 1.239 13.334) 13.491 2.788 ( 1.237 -2.375 1.237) 2.949 2.885 ( -0.129 7.478 -3.346) 8.194 3.123 ( 4.600 -2.021 0.731) 5.077 3.315 ( 0.562 -2.441 -2.107) 3.273 6.627 ( -1.622 -8.546 -2.547) 9.064 6.797 ( -2.564 -2.000 1.383) 3.533 6.902 ( -0.319 0.865 -1.528) 1.785 7.623 ( 1.771 -6.549 -1.429) 6.933 8.026 ( -17.490 -17.482 2.856) 24.893 8.063 ( 2.283 0.139 2.164) 3.149 9.852 ( -2.091 -2.165 -1.686) 3.450 10.170 ( -0.592 -2.168 -1.088) 2.497 10.435 ( 1.276 0.853 -1.086) 1.880 11.511 ( 6.320 1.788 -1.266) 6.688 11.732 ( -1.586 5.899 0.449) 6.125 12.349 ( 6.208 4.815 -0.223) 7.860 15.864 ( -2.722 -1.285 3.006) 4.254 17.022 ( 6.334 11.115 -0.125) 12.794 19.320 ( 0.015 -0.572 -1.356) 1.472 19.399 ( -1.087 5.401 2.478) 6.041 19.462 ( 0.129 -1.256 5.207) 5.358 20.299 ( -2.010 -9.990 -7.967) 12.935 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.206 3.705 5.599) 6.717 2.152 ( 2.199 -2.950 11.321) 11.904 2.785 ( 0.268 -2.058 -0.654) 2.176 2.900 ( -4.163 7.695 -2.069) 8.990 3.161 ( 4.186 -4.088 -2.792) 6.483 3.291 ( -0.937 -0.246 -0.554) 1.116 6.527 ( -0.750 -5.812 0.127) 5.861 6.743 ( -1.904 -1.935 0.656) 2.792 6.933 ( 4.291 -1.068 1.737) 4.751 7.581 ( 2.122 -8.404 -1.393) 8.779 7.710 ( -8.349 -5.981 3.597) 10.882 8.122 ( 2.843 -0.973 3.796) 4.841 9.807 ( -0.443 -1.090 -0.016) 1.177 10.147 ( 0.214 -1.193 -0.263) 1.240 10.448 ( -0.209 1.097 -0.755) 1.348 11.555 ( -2.335 0.556 0.292) 2.418 11.782 ( 2.541 4.533 -2.839) 5.921 12.437 ( 0.885 2.869 -2.446) 3.873 15.847 ( 0.032 -1.491 3.033) 3.380 17.172 ( 0.984 8.392 -4.048) 9.369 19.305 ( -0.183 -0.561 -0.687) 0.906 19.416 ( 0.910 2.684 -1.601) 3.255 19.510 ( 0.559 -2.858 8.972) 9.433 20.154 ( -2.124 -4.061 -5.394) 7.078 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 6.188 -0.751 2.246) 6.625 2.232 ( 5.290 -6.768 8.579) 12.140 2.737 ( -2.313 -1.586 -3.295) 4.327 2.890 ( -5.330 8.285 0.332) 9.857 3.153 ( 2.428 -4.735 -3.196) 6.207 3.262 ( -2.361 0.479 -0.809) 2.541 6.497 ( 0.255 -1.168 2.033) 2.359 6.722 ( -0.077 0.418 1.172) 1.246 7.031 ( 6.025 -2.485 3.812) 7.550 7.527 ( 1.275 -5.036 1.240) 5.341 7.666 ( 3.688 0.645 -1.772) 4.142 8.194 ( 4.237 -2.586 7.605) 9.081 9.821 ( 1.867 0.357 1.491) 2.416 10.149 ( 0.744 -0.493 0.514) 1.029 10.439 ( -1.725 1.092 -0.323) 2.067 11.463 ( -8.414 1.959 -3.448) 9.302 11.851 ( 3.861 0.543 -0.934) 4.009 12.405 ( -4.158 0.689 -4.085) 5.870 15.874 ( 2.849 -1.806 2.932) 4.470 17.149 ( -6.022 3.478 -7.276) 10.064 19.299 ( 0.051 0.051 0.174) 0.188 19.485 ( 4.129 -0.470 0.137) 4.158 19.521 ( 1.639 -4.928 4.794) 7.068 20.086 ( -3.136 4.170 -1.203) 5.355 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 7.890 -5.892 -0.900) 9.889 2.315 ( 9.023 -8.074 4.656) 12.973 2.654 ( -4.584 1.265 -2.911) 5.576 2.882 ( -4.624 6.230 0.560) 7.779 3.110 ( -0.329 -4.961 -1.532) 5.203 3.217 ( -2.700 1.403 -1.494) 3.390 6.536 ( 1.873 3.125 1.532) 3.952 6.758 ( 0.702 2.620 2.450) 3.655 7.080 ( 0.388 -2.727 1.535) 3.153 7.559 ( 3.993 0.098 1.724) 4.351 7.795 ( 9.682 4.033 -4.158) 11.283 8.355 ( 11.228 -1.789 13.635) 17.754 9.882 ( 2.653 1.242 1.906) 3.495 10.168 ( 0.953 0.357 1.287) 1.641 10.414 ( -2.151 0.958 0.221) 2.365 11.282 ( -11.802 3.152 -7.052) 14.105 11.902 ( 3.747 -3.351 0.877) 5.102 12.268 ( -7.942 -1.728 -4.745) 9.411 15.942 ( 5.146 -2.110 2.779) 6.217 16.973 ( -9.724 -0.761 -7.975) 12.599 19.305 ( 0.020 -0.191 0.531) 0.564 19.442 ( -4.183 -5.350 6.170) 9.175 19.587 ( 8.098 -5.677 -7.626) 12.488 20.142 ( -0.624 12.867 5.129) 13.865 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 4.828 -9.554 -2.229) 10.934 2.445 ( 12.393 -7.764 -0.252) 14.627 2.582 ( -5.276 4.783 -1.154) 7.215 2.864 ( -2.291 2.483 -0.289) 3.391 3.026 ( -2.365 -6.307 -0.173) 6.738 3.189 ( -3.366 4.132 -0.225) 5.334 6.637 ( 4.103 6.289 -0.037) 7.509 6.797 ( -1.352 1.537 2.400) 3.155 7.044 ( -1.467 -0.921 -0.358) 1.769 7.675 ( 5.800 3.138 3.017) 7.251 7.947 ( 6.344 3.986 -3.939) 8.465 8.723 ( 18.697 5.201 14.116) 23.998 9.938 ( 1.042 1.247 1.068) 1.945 10.204 ( 0.570 2.098 2.545) 3.347 10.402 ( -0.062 0.755 0.598) 0.965 11.056 ( -12.594 3.256 -8.363) 15.465 11.920 ( 3.857 -7.546 0.737) 8.506 12.060 ( -10.063 -3.593 -3.584) 11.270 16.034 ( 6.143 -2.191 2.319) 6.922 16.746 ( -9.106 -2.849 -6.058) 11.302 19.265 ( -3.474 -3.966 -0.144) 5.275 19.385 ( -1.496 -0.732 2.867) 3.316 19.547 ( 1.705 -9.235 -6.226) 11.268 20.361 ( 4.276 16.184 5.947) 17.764 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.093 -8.537 -1.697) 9.238 2.439 ( -5.076 0.657 -3.937) 6.458 2.649 ( 8.665 -2.888 0.950) 9.183 2.858 ( 0.225 -0.698 0.262) 0.779 2.924 ( -1.168 -5.778 -1.458) 6.072 3.176 ( -4.516 5.525 2.308) 7.500 6.755 ( -2.225 -0.664 -1.829) 2.956 6.788 ( 3.791 7.530 1.116) 8.504 7.041 ( 0.377 1.556 0.420) 1.656 7.833 ( 5.651 4.494 3.136) 7.872 8.041 ( 3.748 2.055 -1.561) 4.550 9.179 ( 15.254 13.256 6.115) 21.114 9.957 ( -0.070 1.014 0.232) 1.043 10.258 ( -0.907 4.652 4.708) 6.680 10.441 ( 2.755 2.107 -0.469) 3.500 10.842 ( -9.013 0.540 -5.687) 10.671 11.811 ( -6.327 -8.876 -4.639) 11.846 11.915 ( 0.171 -7.602 3.108) 8.215 16.120 ( 4.582 -1.599 0.866) 4.930 16.566 ( -5.164 -3.390 -1.987) 6.489 19.144 ( -4.164 -4.301 -2.387) 6.445 19.363 ( -2.602 -5.981 1.674) 6.734 19.440 ( -0.139 -3.590 -2.685) 4.485 20.628 ( 5.233 15.088 3.457) 16.340 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 2.061 -5.716 0.070) 6.076 2.333 ( -6.926 3.635 -1.938) 8.058 2.670 ( -1.619 -7.229 1.614) 7.582 2.876 ( 3.763 -1.357 0.305) 4.012 2.895 ( 2.262 -2.171 -2.577) 4.059 3.181 ( -2.320 4.414 3.134) 5.889 6.683 ( -3.027 -0.946 -0.678) 3.243 6.941 ( 4.514 6.383 -0.075) 7.818 7.075 ( 1.010 2.903 -0.352) 3.094 7.962 ( 2.861 3.783 0.396) 4.760 8.096 ( 2.048 0.054 0.615) 2.139 9.518 ( 7.379 17.057 -5.569) 19.401 9.972 ( 0.567 0.860 0.151) 1.041 10.322 ( -1.504 5.639 5.649) 8.122 10.502 ( -1.625 10.124 -4.526) 11.208 10.732 ( 1.721 -6.714 2.253) 7.288 11.611 ( -4.672 -8.940 0.028) 10.088 11.845 ( 0.419 -11.436 1.321) 11.520 16.156 ( 0.797 -0.018 -0.438) 0.910 16.488 ( -0.553 -3.668 1.557) 4.023 19.033 ( -1.943 -3.950 -2.727) 5.178 19.220 ( -4.615 -8.997 2.213) 10.351 19.437 ( 0.433 0.990 -0.687) 1.280 20.849 ( 3.880 11.980 0.038) 12.593 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.294 0.039 3.109) 3.123 2.468 ( 2.643 2.128 5.047) 6.082 2.533 ( 4.109 2.315 -0.742) 4.774 2.880 ( -5.476 -0.204 2.564) 6.050 2.924 ( -1.553 1.003 2.717) 3.286 3.180 ( 3.982 -4.118 -3.808) 6.879 6.693 ( 1.688 1.169 1.317) 2.439 6.964 ( -0.377 -2.429 -3.254) 4.078 7.161 ( -2.273 -3.117 -0.581) 3.901 7.897 ( -3.378 -1.755 -6.706) 7.711 8.019 ( -0.069 1.345 -5.352) 5.519 9.620 ( -7.881 -1.246 -14.596) 16.635 9.974 ( -0.278 0.036 -0.399) 0.488 10.263 ( 1.875 -4.889 -5.742) 7.772 10.495 ( -3.269 1.030 -3.369) 4.806 10.950 ( 2.417 -10.400 7.321) 12.946 11.477 ( 5.746 11.180 4.977) 13.519 11.783 ( -1.298 1.879 8.675) 8.971 16.202 ( -3.675 -1.730 2.274) 4.655 16.409 ( 4.000 2.379 -0.241) 4.661 19.082 ( 1.489 0.889 2.343) 2.915 19.180 ( 4.884 2.937 10.123) 11.617 19.447 ( -0.422 0.579 -0.006) 0.717 20.864 ( -4.510 -3.684 -10.721) 12.200 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -1.499 2.755 6.240) 6.984 2.525 ( -7.302 5.816 5.605) 10.889 2.625 ( 4.154 3.934 -1.338) 5.876 2.788 ( -3.034 -2.077 0.904) 3.787 2.926 ( 1.218 -1.651 1.800) 2.730 3.213 ( 5.606 -3.206 -2.270) 6.845 6.729 ( 1.574 -0.723 -2.215) 2.812 6.913 ( -1.348 -1.747 0.018) 2.207 7.061 ( -3.776 -4.482 -1.601) 6.075 7.764 ( -4.006 -3.826 -5.658) 7.918 8.009 ( 0.041 3.110 -5.030) 5.914 9.268 ( -17.463 -11.696 -8.052) 22.508 9.962 ( -0.651 -0.855 -0.565) 1.214 10.226 ( 2.088 -3.753 -3.484) 5.530 10.417 ( -3.558 -0.160 -1.913) 4.043 11.008 ( 8.985 -2.659 0.388) 9.378 11.732 ( 4.104 12.738 6.226) 14.761 11.839 ( 3.009 0.163 5.622) 6.379 16.116 ( -5.548 -1.322 1.390) 5.870 16.543 ( 6.775 4.854 1.989) 8.569 19.160 ( 4.293 1.356 3.018) 5.420 19.321 ( 1.388 2.486 4.361) 5.209 19.474 ( 0.626 3.038 5.410) 6.236 20.645 ( -5.661 -7.999 -12.787) 16.110 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -3.252 3.421 6.713) 8.206 2.404 ( -16.402 6.725 6.583) 18.910 2.708 ( 5.155 -3.479 -0.522) 6.241 2.799 ( 2.779 5.409 -2.713) 6.659 2.960 ( 4.345 -3.822 1.221) 5.914 3.257 ( 3.356 -1.710 -0.638) 3.820 6.676 ( -0.947 -5.106 -5.392) 7.486 6.888 ( -2.554 -3.011 4.526) 6.006 6.962 ( -2.100 0.723 -4.635) 5.140 7.638 ( -2.786 -4.008 -2.917) 5.687 8.015 ( 0.537 2.923 -3.425) 4.535 8.755 ( -23.329 -16.296 0.717) 28.466 9.925 ( -1.867 -1.096 -1.456) 2.609 10.201 ( -0.079 -2.654 -1.058) 2.858 10.377 ( 0.356 0.099 -1.455) 1.501 11.175 ( 11.802 2.103 -3.825) 12.584 11.820 ( -3.181 3.791 4.682) 6.813 12.051 ( 10.630 6.009 3.548) 12.716 16.021 ( -5.804 -1.055 2.445) 6.385 16.744 ( 9.065 6.812 0.774) 11.366 19.279 ( 5.787 -0.170 4.914) 7.594 19.338 ( -0.919 0.604 -0.427) 1.179 19.570 ( -2.089 7.225 7.644) 10.723 20.379 ( -4.459 -10.928 -13.180) 17.692 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -5.662 2.383 2.571) 6.660 2.253 ( -11.542 1.877 8.572) 14.499 2.754 ( 3.013 -1.901 2.830) 4.549 2.896 ( 3.938 6.795 -5.793) 9.759 2.997 ( 4.535 -4.966 0.143) 6.727 3.283 ( 1.256 -0.420 0.170) 1.335 6.571 ( -1.773 -5.039 -2.690) 5.981 6.817 ( -2.354 -4.750 1.537) 5.520 6.932 ( -2.439 3.468 -3.228) 5.328 7.561 ( -1.089 -3.264 -0.627) 3.497 8.042 ( 1.445 2.645 -2.182) 3.721 8.241 ( -21.849 -15.004 8.218) 27.749 9.866 ( -2.522 -1.163 -1.148) 3.005 10.165 ( -1.130 -1.322 0.063) 1.741 10.400 ( 2.498 0.282 -1.150) 2.764 11.368 ( 10.818 2.848 -4.209) 11.952 11.817 ( -2.693 1.938 1.529) 3.654 12.280 ( 7.973 4.902 1.410) 9.465 15.938 ( -4.907 -1.217 3.302) 6.039 16.968 ( 9.545 7.350 -2.375) 12.279 19.315 ( -0.635 -0.549 -0.457) 0.956 19.406 ( 5.212 -2.327 7.103) 9.112 19.597 ( -8.441 8.120 3.705) 12.284 20.159 ( 0.351 -9.538 -10.540) 14.219 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -5.888 0.840 0.968) 6.026 2.166 ( -2.968 -5.854 6.791) 9.445 2.790 ( -0.670 0.352 2.814) 2.914 2.978 ( 4.790 2.535 -5.131) 7.463 3.022 ( 1.727 -0.248 -0.184) 1.754 3.292 ( 0.150 -0.107 -0.585) 0.613 6.511 ( -0.801 -1.822 2.208) 2.973 6.755 ( -1.378 -3.321 1.394) 3.856 6.905 ( -1.139 1.583 -1.564) 2.500 7.518 ( -0.823 -2.549 0.346) 2.701 7.861 ( -14.127 -7.328 5.732) 16.915 8.101 ( 1.935 -0.054 4.089) 4.524 9.818 ( -1.588 -0.563 0.450) 1.744 10.144 ( -0.610 -0.241 0.491) 0.819 10.437 ( 1.945 0.482 -0.813) 2.162 11.517 ( 6.474 0.936 -1.965) 6.830 11.792 ( -1.616 1.803 -2.722) 3.643 12.417 ( 3.512 3.179 -1.220) 4.892 15.879 ( -3.000 -1.550 3.594) 4.932 17.142 ( 6.308 5.243 -6.585) 10.518 19.302 ( -0.297 0.085 -0.006) 0.309 19.477 ( -0.175 -2.996 3.626) 4.707 19.520 ( -5.037 0.991 3.681) 6.317 20.091 ( 2.831 -1.071 -4.820) 5.692 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.930 -4.950 0.329) 5.047 2.120 ( 2.746 -10.312 3.732) 11.305 2.769 ( -3.165 0.704 0.057) 3.243 3.019 ( 3.806 -5.320 -1.640) 6.744 3.064 ( -2.104 9.849 -0.357) 10.078 3.273 ( -0.548 -0.905 -2.603) 2.810 6.533 ( -0.604 1.893 6.076) 6.392 6.733 ( 0.132 -0.016 1.615) 1.621 6.932 ( 4.349 -1.336 1.888) 4.926 7.498 ( -0.277 0.254 1.672) 1.714 7.687 ( -5.323 -1.667 2.865) 6.271 8.168 ( 2.639 -0.874 6.835) 7.378 9.818 ( 0.563 0.777 2.126) 2.333 10.147 ( 0.093 0.588 0.953) 1.124 10.458 ( 0.364 0.615 -0.357) 0.799 11.547 ( -2.219 -0.725 -1.254) 2.650 11.783 ( 2.323 0.917 -5.331) 5.888 12.440 ( -1.695 1.421 -3.488) 4.130 15.857 ( -0.378 -1.870 3.526) 4.009 17.168 ( -0.428 0.604 -10.212) 10.239 19.307 ( -0.000 0.812 0.607) 1.014 19.420 ( -1.325 0.510 -2.676) 3.029 19.513 ( 0.339 -6.740 6.056) 9.068 20.146 ( 1.856 5.932 1.235) 6.337 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 5.243 -10.537 -2.606) 12.055 2.108 ( 6.856 -12.720 2.647) 14.690 2.716 ( -3.591 1.677 -1.360) 4.190 2.999 ( -0.632 -1.812 -1.711) 2.571 3.080 ( -3.503 1.084 -0.508) 3.702 3.252 ( -0.372 3.467 -2.185) 4.115 6.578 ( -0.742 3.652 3.734) 5.275 6.783 ( 1.633 2.789 2.932) 4.363 7.018 ( 4.927 -3.627 3.416) 7.007 7.547 ( 1.037 4.847 2.736) 5.661 7.692 ( 4.731 3.432 -0.415) 5.860 8.288 ( 6.331 -0.348 13.235) 14.675 9.873 ( 2.086 1.976 2.890) 4.076 10.171 ( 0.758 1.471 1.517) 2.245 10.456 ( -1.282 0.732 0.324) 1.511 11.431 ( -8.272 0.766 -5.789) 10.125 11.800 ( 3.517 -3.258 -3.283) 5.811 12.349 ( -6.424 -0.453 -4.548) 7.884 15.876 ( 2.427 -2.102 3.350) 4.640 17.022 ( -5.976 -3.890 -11.340) 13.396 19.315 ( -0.791 0.617 0.214) 1.026 19.408 ( 2.585 -2.666 -4.573) 5.891 19.478 ( -0.816 -5.024 4.313) 6.671 20.280 ( 1.977 10.691 5.875) 12.358 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 8.568 -12.462 -5.684) 16.156 2.148 ( 11.405 -13.428 2.526) 17.798 2.670 ( -3.099 2.637 -2.564) 4.810 2.936 ( -4.562 0.230 -3.125) 5.534 2.987 ( -1.214 -7.740 -1.100) 7.911 3.289 ( -1.922 7.432 0.542) 7.696 6.641 ( 1.937 5.229 -0.240) 5.582 6.845 ( 0.141 1.308 3.332) 3.582 7.036 ( 0.371 -2.891 0.402) 2.943 7.658 ( 3.634 5.203 4.940) 8.043 7.853 ( 7.440 5.919 -3.168) 10.022 8.596 ( 15.213 6.045 19.489) 25.452 9.944 ( 1.394 2.158 2.430) 3.536 10.226 ( 1.963 3.238 2.602) 4.595 10.439 ( -2.122 0.934 1.141) 2.584 11.231 ( -11.236 2.754 -9.952) 15.260 11.778 ( 2.519 -8.489 -2.776) 9.280 12.175 ( -9.227 -2.043 -3.032) 9.925 15.937 ( 4.729 -2.171 3.137) 6.076 16.789 ( -7.070 -6.030 -9.894) 13.574 19.262 ( -2.634 -2.837 -4.983) 6.310 19.401 ( 1.315 -0.425 -1.281) 1.884 19.443 ( -0.934 -6.342 3.903) 7.506 20.487 ( 3.418 13.938 6.617) 15.803 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 8.760 -10.971 -5.772) 15.179 2.253 ( 13.668 -12.011 0.771) 18.212 2.620 ( -2.639 1.128 -4.190) 5.079 2.842 ( -1.136 -4.128 -1.630) 4.581 2.898 ( -2.012 -4.083 -0.840) 4.629 3.319 ( -3.723 6.703 1.546) 7.822 6.725 ( 2.908 3.201 -3.159) 5.355 6.850 ( -1.618 1.393 2.658) 3.409 7.029 ( 1.418 0.052 -1.301) 1.925 7.816 ( 4.889 4.954 4.806) 8.458 7.978 ( 4.889 2.698 -2.161) 5.987 9.094 ( 17.051 12.694 15.519) 26.320 9.979 ( -0.630 1.533 1.241) 2.070 10.349 ( 4.019 7.184 5.570) 9.939 10.424 ( -1.682 0.947 1.461) 2.420 10.996 ( -12.056 4.153 -12.120) 17.592 11.671 ( 0.456 -13.870 -4.879) 14.710 11.994 ( -8.424 -3.018 1.949) 9.158 16.025 ( 5.641 -1.939 2.743) 6.565 16.576 ( -4.525 -5.848 -6.832) 10.068 19.136 ( -3.533 -3.384 -7.138) 8.653 19.359 ( -3.048 -8.863 4.346) 10.331 19.421 ( 0.438 1.188 0.528) 1.372 20.723 ( 3.702 14.115 4.188) 15.182 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 8.469 -7.667 -4.115) 12.142 2.331 ( 6.122 -7.073 -2.103) 9.588 2.575 ( 3.017 -6.084 -2.088) 7.105 2.795 ( 0.231 -3.479 0.375) 3.507 2.856 ( 0.824 -0.144 -1.052) 1.344 3.313 ( -4.766 4.890 1.690) 7.035 6.710 ( -2.033 -1.738 -0.893) 2.820 6.920 ( 3.986 4.789 -1.007) 6.311 7.060 ( 2.373 1.947 -2.197) 3.775 7.950 ( 3.336 3.438 1.193) 4.937 8.050 ( 3.340 -0.075 -0.383) 3.363 9.513 ( 9.340 13.363 3.159) 16.607 9.984 ( -0.600 1.115 1.243) 1.774 10.415 ( -1.062 0.339 0.562) 1.249 10.573 ( 5.327 12.352 9.349) 16.382 10.771 ( -10.253 4.692 -11.966) 16.442 11.491 ( 0.054 -16.801 -3.210) 17.105 11.862 ( -6.398 -4.370 5.525) 9.516 16.111 ( 4.264 -1.294 2.352) 5.039 16.450 ( -0.460 -4.504 -3.801) 5.911 19.010 ( -2.596 -2.825 -4.999) 6.301 19.239 ( -4.492 -8.329 5.096) 10.748 19.441 ( 0.242 1.196 0.056) 1.222 20.914 ( 2.240 11.335 0.426) 11.562 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 8.879 -2.907 -3.028) 9.821 2.332 ( 12.679 -4.488 1.925) 13.587 2.497 ( 2.995 1.305 0.304) 3.281 2.892 ( 1.100 -1.971 0.708) 2.365 2.934 ( 7.718 -1.622 2.041) 8.146 3.200 ( -10.450 2.113 -0.321) 10.666 6.682 ( 0.917 -0.642 1.407) 1.798 6.913 ( 1.337 -1.479 -3.674) 4.180 7.143 ( -0.311 -4.163 -0.887) 4.268 7.898 ( -3.160 -0.654 -6.849) 7.571 7.983 ( 1.647 1.855 -6.394) 6.858 9.610 ( -3.817 2.728 -20.919) 21.439 10.010 ( -3.715 1.298 -0.785) 4.012 10.205 ( -0.550 -0.280 -0.691) 0.926 10.553 ( -3.797 3.440 -4.278) 6.675 10.853 ( 0.400 -16.241 12.258) 20.351 11.489 ( 5.968 5.883 4.045) 9.305 11.931 ( -4.440 5.495 8.529) 11.075 16.223 ( -0.025 -0.756 -3.712) 3.788 16.348 ( 4.875 -1.101 4.482) 6.713 19.055 ( 1.310 -3.334 3.707) 5.155 19.226 ( 3.800 7.279 7.892) 11.389 19.462 ( -0.146 1.026 0.380) 1.104 20.861 ( -6.652 -2.952 -9.273) 11.788 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 7.624 -0.527 0.463) 7.656 2.484 ( 7.286 -5.454 4.408) 10.112 2.589 ( 5.930 5.364 -2.968) 8.529 2.880 ( -0.427 -1.965 1.305) 2.397 3.018 ( -12.404 1.679 -1.776) 12.643 3.065 ( 7.066 -0.962 2.683) 7.619 6.681 ( 0.407 -2.131 -2.295) 3.158 6.914 ( 0.882 0.793 0.105) 1.190 7.055 ( -2.856 -6.467 -0.903) 7.127 7.780 ( -4.836 -0.355 -6.275) 7.931 7.996 ( 1.177 3.714 -6.116) 7.251 9.374 ( -11.314 -2.764 -14.119) 18.303 9.973 ( -1.521 0.242 -0.324) 1.574 10.189 ( -1.365 0.080 0.802) 1.585 10.472 ( -4.746 0.238 -2.942) 5.589 10.844 ( 6.181 -7.874 5.632) 11.486 11.699 ( 9.677 3.852 4.900) 11.511 11.949 ( -4.489 4.872 5.180) 8.409 16.178 ( -2.378 -0.082 -2.349) 3.343 16.470 ( 6.802 0.445 4.325) 8.072 19.097 ( 4.199 -2.524 3.758) 6.175 19.359 ( 0.328 3.144 1.891) 3.684 19.526 ( 3.150 5.489 5.802) 8.586 20.624 ( -9.057 -5.679 -10.365) 14.890 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 2.986 1.018 3.722) 4.879 2.543 ( 6.360 -6.287 -0.314) 8.948 2.712 ( -1.550 4.662 2.182) 5.376 2.815 ( -8.147 5.006 -3.405) 10.150 2.880 ( 1.503 -2.705 0.016) 3.095 3.177 ( 5.324 -0.873 2.107) 5.792 6.627 ( -1.328 -2.364 -3.918) 4.765 6.917 ( -3.353 -6.205 2.860) 7.611 6.967 ( 0.535 2.547 -2.640) 3.707 7.665 ( -4.866 0.514 -3.625) 6.089 8.013 ( 0.608 3.742 -4.544) 5.917 9.004 ( -20.096 -7.776 -2.342) 21.674 9.944 ( -1.894 -0.177 -0.775) 2.053 10.180 ( -0.209 -0.420 1.105) 1.200 10.388 ( -2.859 -0.396 -1.839) 3.422 10.968 ( 11.305 -0.667 -1.366) 11.407 11.885 ( 3.016 -1.876 3.836) 5.228 11.991 ( 4.032 7.360 3.112) 8.950 16.113 ( -4.416 -0.287 0.646) 4.472 16.637 ( 9.252 2.428 1.236) 9.645 19.188 ( 6.276 -2.954 4.656) 8.354 19.362 ( -1.331 0.624 -0.071) 1.472 19.696 ( 3.562 7.905 5.864) 10.467 20.327 ( -10.815 -7.074 -10.501) 16.652 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -3.879 -1.666 1.661) 4.536 2.516 ( -9.932 -3.538 0.598) 10.560 2.658 ( 3.966 1.199 2.581) 4.881 2.859 ( 1.632 2.887 -2.412) 4.101 2.912 ( 4.514 1.521 -0.966) 4.860 3.249 ( 3.037 -0.702 1.073) 3.297 6.563 ( -2.178 -0.263 -1.456) 2.633 6.810 ( -2.426 -5.725 0.324) 6.227 6.987 ( -1.390 3.692 -2.068) 4.454 7.590 ( -3.736 1.490 -0.349) 4.037 8.036 ( 0.924 3.460 -2.670) 4.467 8.558 ( -23.904 -9.544 7.392) 26.780 9.897 ( -2.650 -0.153 -0.887) 2.799 10.179 ( -0.767 -0.438 1.592) 1.821 10.358 ( 0.965 -0.071 -1.540) 1.819 11.165 ( 12.799 2.301 -4.530) 13.771 11.868 ( -2.128 -1.747 1.006) 2.931 12.196 ( 8.772 4.390 1.973) 10.006 16.036 ( -5.384 -0.969 2.819) 6.154 16.830 ( 10.635 3.419 -3.011) 11.570 19.291 ( 5.197 -3.284 4.142) 7.413 19.349 ( 0.196 -0.910 1.790) 2.018 19.856 ( 0.252 10.475 5.361) 11.770 20.010 ( -9.030 -8.731 -10.796) 16.563 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -4.581 -4.848 -1.866) 6.926 2.287 ( -12.377 -4.811 1.716) 13.390 2.784 ( 7.507 -1.770 2.306) 8.050 2.860 ( -0.867 -0.543 -0.116) 1.030 3.027 ( 4.525 7.176 -2.273) 8.783 3.275 ( 0.913 -1.280 -0.824) 1.775 6.547 ( -1.272 2.512 2.937) 4.069 6.742 ( -0.576 -3.616 0.610) 3.712 6.961 ( -3.374 2.983 -2.891) 5.352 7.559 ( -3.123 2.552 1.913) 4.464 8.053 ( -4.299 2.070 -3.362) 5.837 8.181 ( -15.035 -6.706 15.090) 22.332 9.852 ( -2.266 0.082 0.641) 2.357 10.169 ( -1.327 0.453 1.511) 2.061 10.388 ( 3.087 0.009 -1.207) 3.315 11.361 ( 11.020 2.155 -4.545) 12.114 11.810 ( -2.160 -2.240 -1.813) 3.601 12.363 ( 6.044 2.927 -0.365) 6.725 15.956 ( -4.966 -1.622 3.817) 6.470 16.996 ( 9.292 2.069 -7.646) 12.210 19.317 ( -0.561 0.571 0.829) 1.152 19.398 ( 5.026 -5.974 4.894) 9.214 19.709 ( -12.086 -2.175 -5.260) 13.359 20.013 ( 4.520 6.199 2.238) 7.991 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -2.504 -7.112 -3.946) 8.510 2.042 ( -8.313 -11.649 1.977) 14.447 2.826 ( -1.158 -1.193 -1.297) 2.108 2.880 ( 4.373 -2.209 1.458) 5.112 3.164 ( 3.102 9.394 -0.443) 9.903 3.237 ( -1.094 -3.446 -3.796) 5.242 6.606 ( 0.403 3.056 7.017) 7.664 6.732 ( 1.012 -0.017 1.360) 1.695 6.913 ( -2.000 1.050 -1.888) 2.944 7.564 ( -2.217 5.103 3.624) 6.640 7.847 ( -12.750 -1.296 4.802) 13.686 8.181 ( 0.930 0.311 9.610) 9.660 9.843 ( -0.560 1.125 2.602) 2.890 10.169 ( -0.724 1.492 1.408) 2.176 10.432 ( 2.650 0.044 -0.671) 2.734 11.497 ( 6.020 -0.227 -2.306) 6.451 11.734 ( -1.143 -1.948 -5.997) 6.408 12.440 ( 1.388 1.898 -2.744) 3.614 15.893 ( -3.258 -2.040 4.043) 5.579 17.055 ( 4.377 -1.837 -11.579) 12.514 19.323 ( -0.315 1.143 0.985) 1.541 19.430 ( 2.605 -5.669 2.107) 6.585 19.504 ( -6.691 -1.253 -3.588) 7.696 20.174 ( 3.881 7.562 5.734) 10.253 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -3.737 -13.529 -1.963) 14.172 1.889 ( 3.580 -14.368 -0.861) 14.833 2.779 ( -2.809 0.535 -1.930) 3.450 2.915 ( 3.140 -3.763 -0.585) 4.936 3.121 ( -3.476 -5.623 -6.334) 9.155 3.296 ( 1.560 9.000 0.735) 9.163 6.657 ( -1.524 1.365 4.566) 5.003 6.794 ( 1.950 2.774 1.985) 3.929 6.922 ( 4.123 -2.202 1.975) 5.074 7.647 ( 1.037 9.885 2.980) 10.377 7.717 ( -6.283 1.815 3.360) 7.353 8.303 ( 3.603 2.463 15.530) 16.131 9.888 ( 1.233 2.555 3.704) 4.666 10.192 ( 0.088 2.470 1.552) 2.919 10.464 ( 1.197 0.209 0.222) 1.236 11.492 ( -3.262 -2.324 -3.391) 5.248 11.685 ( 2.835 -2.300 -7.270) 8.135 12.410 ( -3.812 0.800 -4.207) 5.733 15.865 ( -0.680 -2.224 3.973) 4.604 16.956 ( -1.641 -6.274 -13.280) 14.779 19.340 ( 0.018 1.149 0.448) 1.233 19.370 ( -3.263 -1.294 -3.554) 4.995 19.444 ( 1.398 -3.856 0.846) 4.187 20.365 ( 4.107 9.057 8.409) 13.023 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 4.406 -15.975 -3.834) 17.009 1.842 ( 8.881 -16.617 0.846) 18.861 2.716 ( -2.999 0.171 -4.606) 5.499 2.897 ( 0.741 -7.551 -2.346) 7.942 2.961 ( -3.164 -3.563 -5.638) 7.382 3.393 ( -0.567 7.755 1.402) 7.901 6.668 ( -0.569 2.501 0.368) 2.592 6.847 ( 1.987 0.256 0.488) 2.062 6.982 ( 3.029 -4.030 3.097) 5.917 7.716 ( -0.288 4.308 4.225) 6.041 7.798 ( 4.312 8.405 -1.398) 9.549 8.594 ( 10.095 9.907 23.196) 27.168 9.966 ( 1.391 3.374 3.603) 5.128 10.244 ( 1.417 3.741 1.904) 4.431 10.482 ( -0.314 0.939 1.795) 2.050 11.339 ( -7.430 -0.504 -9.735) 12.257 11.648 ( 1.272 -6.592 -4.704) 8.198 12.286 ( -7.751 -0.571 -3.304) 8.445 15.880 ( 2.136 -2.230 3.864) 4.946 16.741 ( -4.497 -8.694 -12.332) 15.745 19.258 ( -4.047 -1.386 -6.135) 7.479 19.367 ( 1.231 -0.791 0.117) 1.468 19.436 ( 0.092 -2.903 2.747) 3.997 20.590 ( 4.478 11.260 8.173) 14.616 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 10.658 -13.553 -6.285) 18.351 1.886 ( 14.317 -16.981 3.191) 22.439 2.598 ( -2.159 -6.740 -9.970) 12.227 2.793 ( -0.729 -4.381 -1.875) 4.821 2.900 ( -1.416 -1.141 -1.620) 2.436 3.442 ( -2.510 5.858 1.468) 6.540 6.694 ( 1.519 1.790 -2.397) 3.355 6.871 ( 0.966 -0.984 0.333) 1.419 6.991 ( 1.324 -1.701 -0.028) 2.156 7.819 ( 3.616 3.584 4.687) 6.920 7.913 ( 4.185 3.480 -2.394) 5.947 9.081 ( 13.978 15.098 21.035) 29.425 10.025 ( -0.789 3.062 2.568) 4.073 10.341 ( 3.677 3.890 1.845) 5.662 10.515 ( -0.436 5.048 5.562) 7.523 11.129 ( -9.091 2.713 -14.955) 17.710 11.523 ( -2.014 -12.073 -4.277) 12.965 12.124 ( -8.636 -1.948 1.020) 8.912 15.940 ( 4.482 -2.056 3.739) 6.188 16.517 ( -3.213 -8.438 -9.582) 13.166 19.129 ( -4.313 -1.438 -7.159) 8.480 19.347 ( -1.190 -5.873 2.826) 6.626 19.436 ( -0.118 0.142 1.938) 1.946 20.819 ( 3.727 12.160 5.053) 13.685 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 13.111 -9.335 -6.812) 17.477 2.017 ( 16.235 -14.562 2.929) 22.004 2.431 ( 1.583 -11.129 -9.461) 14.693 2.770 ( 0.745 -0.653 -0.442) 1.084 2.856 ( -1.500 -0.675 -0.767) 1.815 3.442 ( -4.191 4.189 1.311) 6.069 6.702 ( 0.294 -1.330 -1.370) 1.932 6.885 ( 2.304 0.327 -1.787) 2.934 7.016 ( 2.814 1.455 -2.239) 3.880 7.929 ( 3.215 1.918 1.109) 3.905 7.983 ( 3.812 -0.227 -0.902) 3.924 9.521 ( 9.135 12.911 8.909) 18.152 10.036 ( -2.307 2.293 2.272) 3.967 10.395 ( 0.628 -1.297 -1.369) 1.988 10.697 ( 3.410 12.136 10.959) 16.704 10.922 ( -8.476 9.239 -16.746) 20.920 11.318 ( -2.122 -16.820 -1.870) 17.056 11.987 ( -7.657 -2.673 6.279) 10.257 16.031 ( 5.520 -1.697 3.689) 6.853 16.368 ( 0.085 -6.320 -6.548) 9.101 19.011 ( -3.382 -0.779 -4.699) 5.842 19.263 ( -3.540 -7.354 4.699) 9.418 19.450 ( 0.088 0.818 0.597) 1.017 20.992 ( 1.442 10.222 0.594) 10.340 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 14.287 -6.948 -6.938) 17.336 2.027 ( 18.731 -2.737 -3.431) 19.238 2.398 ( 10.828 -3.745 4.568) 12.335 2.781 ( 4.082 -3.668 2.243) 5.929 2.884 ( 1.211 -0.101 0.401) 1.279 3.397 ( -8.283 3.173 1.199) 8.951 6.669 ( 0.245 -1.839 1.438) 2.347 6.852 ( 2.744 0.021 -2.457) 3.683 7.083 ( 1.703 -4.049 -1.614) 4.680 7.898 ( -1.435 0.314 -4.988) 5.200 7.924 ( 2.545 1.778 -5.723) 6.511 9.568 ( -3.868 4.536 -20.901) 21.735 10.088 ( -4.748 1.425 -2.745) 5.666 10.254 ( -1.668 4.678 1.603) 5.219 10.634 ( -4.894 5.940 -6.991) 10.398 10.796 ( -1.211 -15.633 16.639) 22.863 11.454 ( 4.422 0.046 3.864) 5.873 12.109 ( -4.883 4.462 5.749) 8.764 16.137 ( 3.860 -0.209 -8.923) 9.724 16.294 ( 4.806 -3.493 9.202) 10.954 19.041 ( -0.964 -3.625 3.666) 5.245 19.271 ( 4.090 6.208 5.956) 9.526 19.472 ( 0.265 0.804 0.091) 0.852 20.912 ( -7.623 -0.709 -6.918) 10.318 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 15.045 -3.953 -3.265) 15.894 2.289 ( 14.486 -1.314 0.408) 14.551 2.528 ( 5.041 1.401 0.164) 5.235 2.840 ( 3.885 -3.874 1.308) 5.640 2.913 ( 4.178 -2.056 1.542) 4.905 3.278 ( -10.521 3.575 1.386) 11.198 6.655 ( -0.405 -1.087 -0.796) 1.407 6.899 ( 2.605 1.713 0.272) 3.129 7.024 ( -1.618 -6.393 -0.326) 6.603 7.831 ( -4.013 2.102 -4.603) 6.458 7.963 ( 2.626 3.999 -5.700) 7.442 9.413 ( -5.497 4.297 -17.692) 19.019 10.015 ( -3.408 0.744 -1.414) 3.764 10.271 ( -3.278 4.785 1.720) 6.050 10.543 ( -5.954 1.295 -4.652) 7.666 10.749 ( 0.597 -10.640 12.571) 16.480 11.589 ( 8.846 -0.801 4.668) 10.034 12.085 ( -4.465 2.174 1.958) 5.338 16.148 ( 2.806 1.395 -7.407) 8.043 16.400 ( 5.012 -3.136 8.766) 10.573 19.038 ( 1.964 -3.260 3.596) 5.236 19.388 ( 0.742 2.398 1.177) 2.773 19.526 ( 4.424 2.287 1.899) 5.330 20.712 ( -10.725 -0.453 -5.410) 12.021 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 13.521 -1.390 0.568) 13.604 2.428 ( 3.310 -4.492 3.044) 6.357 2.649 ( 8.014 5.808 -4.876) 11.033 2.847 ( 0.749 -1.441 0.402) 1.673 2.961 ( 0.179 -3.708 1.131) 3.881 3.168 ( -5.651 3.188 2.115) 6.824 6.631 ( -1.605 1.366 -1.127) 2.390 6.912 ( -2.775 -6.304 -1.299) 7.010 6.970 ( 1.571 2.194 2.279) 3.532 7.756 ( -5.380 3.900 -2.628) 7.145 8.006 ( 1.470 4.355 -4.551) 6.468 9.217 ( -12.417 1.701 -7.943) 14.838 9.971 ( -1.909 0.178 -0.656) 2.027 10.247 ( -5.395 2.850 2.776) 6.703 10.430 ( -4.225 -0.751 -2.470) 4.951 10.793 ( 7.013 -3.717 3.455) 8.657 11.770 ( 9.749 -2.046 4.329) 10.862 12.043 ( -2.040 0.950 -0.331) 2.275 16.152 ( -0.162 1.317 -3.341) 3.595 16.519 ( 7.023 -1.547 4.745) 8.616 19.088 ( 4.830 -3.492 4.013) 7.185 19.392 ( -1.364 0.767 0.120) 1.570 19.642 ( 7.269 -0.934 -1.746) 7.533 20.488 ( -14.029 2.771 -2.322) 14.487 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 3.232 -1.742 1.818) 4.097 2.408 ( 3.075 -6.327 -0.449) 7.049 2.813 ( 5.067 5.707 -2.050) 7.902 2.833 ( -6.927 1.739 -2.736) 7.648 2.871 ( 0.075 -1.274 3.046) 3.303 3.187 ( 3.038 -0.748 0.552) 3.177 6.622 ( -2.526 4.602 0.453) 5.270 6.797 ( -2.799 -5.767 -0.423) 6.424 7.018 ( 0.178 2.512 -0.252) 2.531 7.703 ( -5.279 5.292 0.450) 7.488 8.041 ( 0.861 4.118 -2.835) 5.073 8.924 ( -20.913 -1.232 3.841) 21.298 9.936 ( -2.259 0.379 -0.697) 2.395 10.212 ( -2.357 1.161 2.149) 3.394 10.359 ( -2.319 -0.407 -1.202) 2.644 10.944 ( 11.931 0.774 -2.783) 12.276 11.855 ( 1.238 -4.586 0.962) 4.847 12.096 ( 7.551 1.638 0.252) 7.731 16.120 ( -3.433 -0.158 0.914) 3.557 16.662 ( 9.250 0.108 -1.276) 9.338 19.173 ( 6.406 -4.338 4.171) 8.789 19.374 ( -1.621 0.460 0.590) 1.785 19.704 ( 7.513 -7.193 -6.807) 12.431 20.292 ( -15.385 9.336 2.436) 18.161 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -7.017 -6.061 -1.659) 9.419 2.385 ( -3.070 -6.880 -2.594) 7.968 2.708 ( -2.417 -1.623 2.651) 3.938 2.886 ( 0.430 2.185 -0.141) 2.232 2.984 ( 6.425 5.539 -0.819) 8.523 3.219 ( 2.580 -1.960 -2.035) 3.826 6.640 ( -2.880 5.836 2.536) 6.985 6.719 ( -0.480 -3.199 0.253) 3.245 7.014 ( -2.121 1.993 -2.598) 3.901 7.687 ( -4.707 6.026 3.394) 8.365 8.078 ( 0.491 3.646 -2.043) 4.209 8.582 ( -23.709 -0.810 13.281) 27.188 9.899 ( -2.366 0.648 0.534) 2.510 10.211 ( -1.244 0.917 2.453) 2.899 10.336 ( 1.158 0.006 -1.738) 2.088 11.147 ( 12.978 2.163 -5.170) 14.137 11.793 ( -1.470 -5.257 -1.995) 5.812 12.259 ( 8.840 1.193 -0.278) 8.925 16.051 ( -5.156 -1.491 3.309) 6.306 16.796 ( 9.450 -0.264 -6.915) 11.713 19.258 ( 6.246 -5.060 2.665) 8.468 19.357 ( -1.379 0.454 0.732) 1.626 19.657 ( 2.550 -9.829 -7.383) 12.554 20.218 ( -9.792 13.620 6.172) 17.874 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -6.440 -9.443 -3.546) 11.967 2.136 ( -12.707 -9.907 -2.455) 16.299 2.721 ( 3.878 -3.985 0.349) 5.572 2.902 ( -0.833 1.686 0.027) 1.881 3.104 ( 4.531 -2.456 -4.068) 6.566 3.232 ( 1.783 4.206 -0.944) 4.664 6.652 ( -0.176 -0.460 2.718) 2.762 6.743 ( 0.606 4.630 2.462) 5.279 6.959 ( -3.548 0.876 -3.426) 5.009 7.700 ( -3.898 5.590 5.154) 8.544 8.057 ( -6.326 2.493 -3.020) 7.440 8.372 ( -13.684 4.654 20.622) 25.183 9.887 ( -1.178 1.301 2.858) 3.353 10.216 ( -1.405 2.021 2.013) 3.180 10.369 ( 3.607 -0.097 -1.478) 3.899 11.334 ( 10.811 1.117 -4.645) 11.819 11.691 ( -1.827 -5.411 -4.953) 7.559 12.385 ( 5.410 1.151 -2.118) 5.923 15.970 ( -5.005 -2.217 4.152) 6.870 16.862 ( 6.612 -3.117 -11.224) 13.395 19.308 ( 4.796 -5.049 -1.765) 7.185 19.352 ( -0.486 1.101 1.403) 1.849 19.540 ( -2.472 -5.641 -3.666) 7.167 20.290 ( -2.275 11.484 8.379) 14.397 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.724 -13.776 -3.192) 14.401 1.788 ( -12.129 -14.282 -2.104) 18.856 2.733 ( 2.868 -4.664 -3.060) 6.273 2.889 ( -1.485 0.181 -0.453) 1.563 3.024 ( 0.201 -8.848 -8.694) 12.406 3.353 ( 2.777 7.915 1.751) 8.569 6.676 ( 1.853 -1.547 2.826) 3.717 6.820 ( 0.093 3.921 2.023) 4.412 6.887 ( -1.452 -0.966 -1.595) 2.364 7.725 ( -1.855 2.706 4.681) 5.717 7.932 ( -9.170 5.904 -1.224) 10.974 8.461 ( -2.760 10.349 23.372) 25.710 9.925 ( 0.545 2.668 4.428) 5.198 10.235 ( -0.635 3.294 1.514) 3.681 10.424 ( 3.513 -0.090 -0.279) 3.525 11.445 ( 4.115 -2.929 -1.881) 5.390 11.577 ( 0.149 -3.294 -9.622) 10.171 12.426 ( 0.307 1.142 -3.769) 3.950 15.903 ( -3.316 -2.449 4.312) 5.966 16.803 ( 1.615 -6.998 -13.397) 15.201 19.311 ( 2.966 -2.102 -4.447) 5.744 19.371 ( 0.170 -1.074 1.029) 1.497 19.435 ( -3.231 -1.085 -1.856) 3.881 20.453 ( 2.232 9.311 10.603) 14.286 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -5.595 -18.687 -0.351) 19.510 1.565 ( 3.460 -16.919 -2.288) 17.420 2.649 ( -0.024 -10.466 -10.905) 15.115 2.845 ( -2.098 -2.147 -1.658) 3.430 2.912 ( 0.585 -3.626 -4.367) 5.706 3.467 ( 1.066 6.404 1.657) 6.700 6.700 ( -0.306 -0.502 1.753) 1.849 6.801 ( 0.682 -1.360 -3.153) 3.501 6.923 ( 2.716 -1.658 3.940) 5.064 7.750 ( 0.370 1.166 2.882) 3.131 7.879 ( -3.681 6.610 -1.686) 7.751 8.758 ( 3.766 15.921 26.393) 31.053 10.005 ( 1.414 3.917 4.611) 6.213 10.278 ( 0.390 4.404 1.136) 4.565 10.483 ( 2.682 0.884 2.120) 3.531 11.344 ( -4.257 -5.527 -8.765) 11.203 11.546 ( 2.186 -2.593 -5.682) 6.617 12.372 ( -4.770 0.653 -3.728) 6.089 15.873 ( -0.720 -2.413 4.360) 5.035 16.626 ( -2.302 -9.628 -13.052) 16.381 19.289 ( -4.335 -0.969 -4.808) 6.546 19.321 ( 2.103 -1.649 -3.010) 4.025 19.428 ( 0.559 0.161 1.761) 1.854 20.668 ( 4.489 9.172 10.439) 14.603 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 5.130 -17.626 -2.012) 18.467 1.508 ( 11.257 -19.571 2.285) 22.693 2.420 ( -0.192 -16.267 -15.607) 22.544 2.785 ( -1.930 -0.288 -1.653) 2.557 2.887 ( 0.389 -1.341 -1.649) 2.161 3.531 ( -0.940 4.672 1.357) 4.955 6.681 ( -0.697 -0.423 -1.294) 1.530 6.808 ( 3.359 -2.322 -2.137) 4.609 6.955 ( 1.386 -2.534 2.421) 3.769 7.811 ( 2.988 1.720 2.542) 4.284 7.892 ( 0.570 2.884 -1.894) 3.497 9.189 ( 8.295 16.916 22.547) 29.382 10.089 ( 0.121 4.285 3.868) 5.774 10.343 ( 1.529 3.775 0.526) 4.106 10.583 ( 3.329 5.923 6.832) 9.636 11.140 ( -5.033 -3.771 -15.571) 16.793 11.466 ( -3.798 -5.920 -3.603) 7.902 12.251 ( -7.481 -0.534 -0.178) 7.502 15.890 ( 2.082 -2.269 4.416) 5.383 16.409 ( -2.397 -9.809 -10.638) 14.667 19.163 ( -5.395 -0.117 -6.047) 8.104 19.315 ( 0.805 -3.500 -0.285) 3.603 19.447 ( 0.250 -0.054 1.695) 1.714 20.895 ( 4.352 9.854 6.861) 12.772 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 13.634 -12.301 -5.534) 19.179 1.597 ( 17.718 -18.545 6.069) 26.357 2.172 ( 3.110 -17.937 -15.261) 23.755 2.759 ( -0.257 0.673 -1.372) 1.550 2.864 ( -0.829 -1.169 -0.562) 1.539 3.546 ( -2.751 3.452 1.153) 4.562 6.666 ( 0.975 -1.306 -1.574) 2.265 6.822 ( 2.568 -2.218 -2.381) 4.145 6.972 ( 2.080 -0.437 -0.505) 2.184 7.891 ( 3.326 0.387 0.620) 3.405 7.920 ( 2.263 -0.214 -1.274) 2.606 9.575 ( 6.600 12.727 10.690) 17.883 10.127 ( -2.730 3.545 3.343) 5.586 10.378 ( -0.356 -0.044 -0.969) 1.033 10.812 ( 3.390 10.677 8.496) 14.059 10.947 ( 0.354 2.621 -16.148) 16.363 11.267 ( -8.383 -8.978 -1.898) 12.429 12.134 ( -7.197 -1.185 6.134) 9.530 15.952 ( 4.501 -2.004 4.204) 6.477 16.249 ( 0.546 -7.693 -7.157) 10.522 19.047 ( -4.216 0.670 -4.042) 5.878 19.270 ( -1.810 -5.517 2.626) 6.372 19.458 ( 0.144 0.130 0.795) 0.818 21.065 ( 1.571 8.879 1.196) 9.096 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 17.284 -8.743 -7.267) 20.688 1.621 ( 23.777 0.344 -7.726) 25.003 2.134 ( 18.905 -8.189 12.197) 23.942 2.750 ( -0.690 -1.528 1.919) 2.548 2.867 ( 1.249 0.263 0.475) 1.362 3.539 ( -5.178 1.737 0.518) 5.486 6.656 ( 0.446 -1.808 1.621) 2.468 6.791 ( 3.794 0.818 -0.818) 3.967 6.998 ( 2.931 -2.393 -2.002) 4.280 7.869 ( 2.063 1.228 -2.857) 3.731 7.892 ( 0.359 1.094 -2.216) 2.497 9.580 ( -6.164 6.026 -16.977) 19.040 10.158 ( -4.254 1.531 -3.224) 5.553 10.339 ( -1.507 4.270 0.925) 4.622 10.741 ( -4.802 8.421 -7.341) 12.160 10.806 ( -1.767 -9.397 16.447) 19.024 11.396 ( 2.269 -4.955 3.278) 6.360 12.236 ( -4.410 0.397 1.559) 4.695 16.008 ( 4.353 -0.329 -7.769) 8.911 16.222 ( 6.264 -3.992 8.469) 11.265 19.064 ( -2.952 -3.609 3.770) 5.996 19.280 ( 4.012 3.328 3.471) 6.263 19.469 ( 0.409 0.117 -0.572) 0.713 21.008 ( -6.913 2.565 -4.585) 8.683 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 18.010 -2.233 -1.425) 18.204 1.981 ( 21.212 3.086 -5.216) 22.061 2.401 ( 12.058 -4.747 8.598) 15.551 2.758 ( 2.035 -1.272 1.865) 3.039 2.880 ( 0.487 -1.102 0.517) 1.311 3.453 ( -7.058 1.142 0.330) 7.157 6.661 ( -0.101 0.619 1.196) 1.351 6.862 ( 3.413 0.791 0.648) 3.563 6.990 ( 0.056 -2.850 -0.038) 2.851 7.882 ( -1.421 2.420 -1.711) 3.287 7.923 ( 2.850 3.986 -3.296) 5.905 9.452 ( -5.272 8.912 -15.969) 19.032 10.074 ( -4.274 0.432 -2.692) 5.069 10.357 ( -0.649 3.716 -0.000) 3.772 10.656 ( -7.809 7.484 -8.761) 13.919 10.792 ( -4.666 -8.927 19.432) 21.887 11.444 ( 7.887 -5.831 3.469) 10.404 12.154 ( -3.734 -2.558 -1.919) 4.916 16.045 ( 4.884 1.771 -7.198) 8.877 16.338 ( 5.469 -3.915 8.833) 11.102 19.021 ( -0.896 -3.310 3.803) 5.121 19.376 ( 3.845 0.230 0.011) 3.852 19.472 ( 1.256 -1.029 -1.398) 2.142 20.883 ( -9.504 4.360 -1.762) 10.604 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 16.082 1.062 2.539) 16.315 2.289 ( 13.777 1.760 -1.131) 13.935 2.552 ( 5.956 0.222 1.304) 6.101 2.811 ( 3.512 -0.987 1.492) 3.941 2.879 ( 1.912 -3.329 1.006) 3.969 3.334 ( -8.278 0.843 0.083) 8.321 6.681 ( -0.767 3.094 1.519) 3.531 6.886 ( -0.769 -2.652 -1.294) 3.050 6.985 ( 0.595 1.213 3.089) 3.371 7.866 ( -3.480 4.546 -0.806) 5.781 7.991 ( 2.415 4.434 -2.942) 5.844 9.362 ( -6.625 9.644 -10.867) 15.968 10.003 ( -2.602 0.017 -1.528) 3.017 10.390 ( -1.108 4.337 1.038) 4.595 10.511 ( -10.059 3.629 -5.674) 12.105 10.744 ( -2.519 -6.874 12.103) 14.145 11.583 ( 11.656 -5.167 3.558) 13.237 12.050 ( -2.130 -4.341 -3.616) 6.038 16.104 ( 4.061 2.787 -5.623) 7.475 16.439 ( 4.759 -3.513 7.362) 9.444 19.022 ( 1.923 -3.428 4.026) 5.627 19.414 ( 0.962 0.027 -0.495) 1.082 19.472 ( 4.393 -5.225 -4.521) 8.188 20.756 ( -11.745 7.052 0.565) 13.711 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 11.978 -0.014 2.490) 12.234 2.384 ( -1.609 -3.640 1.895) 4.408 2.697 ( 9.535 5.132 -4.091) 11.576 2.856 ( 1.443 1.346 0.415) 2.017 2.888 ( 1.726 -5.507 1.995) 6.106 3.211 ( -6.073 0.546 -0.945) 6.170 6.711 ( -0.648 2.894 1.812) 3.475 6.811 ( -4.463 -0.033 -0.452) 4.486 7.033 ( 0.667 1.778 1.260) 2.279 7.850 ( -4.389 5.987 0.931) 7.481 8.047 ( 1.382 4.129 -2.036) 4.806 9.253 ( -12.943 8.370 -0.975) 15.444 9.966 ( -1.464 0.379 -0.752) 1.689 10.339 ( -9.498 3.786 -1.672) 10.361 10.402 ( -2.789 0.155 1.785) 3.315 10.772 ( 6.407 -2.118 1.450) 6.902 11.737 ( 8.488 -5.792 2.400) 10.552 11.982 ( 3.407 -3.999 -3.612) 6.375 16.145 ( 0.841 1.482 -2.015) 2.639 16.527 ( 5.644 -2.263 2.256) 6.486 19.066 ( 4.327 -4.005 3.861) 7.048 19.411 ( -1.560 0.747 0.289) 1.754 19.460 ( 6.778 -8.949 -6.365) 12.905 20.641 ( -12.667 10.042 2.115) 16.303 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -3.386 -3.916 -0.678) 5.221 2.283 ( 0.738 -6.097 -1.022) 6.226 2.779 ( -2.475 -4.432 -0.519) 5.103 2.880 ( 1.235 3.127 -1.840) 3.833 2.923 ( 4.454 1.519 2.367) 5.268 3.156 ( 0.862 0.368 -2.884) 3.032 6.698 ( -1.225 -3.822 0.148) 4.016 6.787 ( -3.800 8.821 1.976) 9.806 7.042 ( -1.262 1.110 -1.491) 2.247 7.849 ( -4.319 5.993 3.119) 8.019 8.091 ( 0.731 3.433 -1.625) 3.868 9.077 ( -20.723 8.611 10.156) 24.632 9.945 ( -1.692 0.895 0.290) 1.936 10.255 ( -2.402 1.611 -0.824) 3.007 10.356 ( -3.744 0.316 1.594) 4.082 10.919 ( 12.001 1.157 -4.450) 12.851 11.731 ( 0.131 -7.265 -2.066) 7.554 12.082 ( 11.477 -2.117 -0.753) 11.695 16.129 ( -3.060 -0.753 1.878) 3.668 16.609 ( 6.924 -1.739 -4.527) 8.454 19.125 ( 5.201 -4.422 1.498) 6.990 19.384 ( -0.345 -1.649 -1.455) 2.226 19.453 ( 5.059 -7.458 -1.874) 9.205 20.563 ( -11.439 12.366 3.393) 17.184 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -10.907 -7.969 -2.640) 13.763 2.181 ( -5.877 -9.786 -4.418) 12.241 2.688 ( -2.724 -2.740 2.165) 4.429 2.902 ( 1.391 -0.545 -3.512) 3.816 2.959 ( 2.416 -6.055 -4.249) 7.782 3.230 ( 4.343 6.193 0.857) 7.613 6.649 ( -0.691 -2.319 0.356) 2.445 6.833 ( -2.020 7.343 2.048) 7.886 6.996 ( -2.987 0.250 -3.212) 4.394 7.850 ( -4.451 3.780 4.549) 7.402 8.105 ( -0.925 1.997 -3.000) 3.721 8.908 ( -21.403 13.216 19.254) 31.677 9.939 ( -1.152 1.303 2.902) 3.383 10.264 ( 0.711 1.309 1.423) 2.060 10.321 ( -0.743 0.989 -1.376) 1.850 11.112 ( 12.903 1.352 -5.951) 14.274 11.627 ( -1.413 -7.123 -4.456) 8.519 12.247 ( 10.017 -1.088 -1.196) 10.147 16.061 ( -5.141 -2.125 3.774) 6.722 16.652 ( 6.178 -3.489 -9.661) 11.986 19.163 ( 4.849 -3.603 -3.652) 7.060 19.362 ( 1.020 -2.852 0.185) 3.034 19.455 ( 2.337 -5.110 1.447) 5.803 20.550 ( -7.825 12.812 5.588) 16.019 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -10.088 -11.439 -3.772) 15.711 1.864 ( -13.831 -13.813 -3.244) 19.815 2.632 ( -0.831 -6.476 -3.507) 7.412 2.842 ( 2.950 -9.144 -7.638) 12.274 2.914 ( -0.814 -0.370 -2.084) 2.267 3.379 ( 3.914 6.600 2.494) 8.068 6.639 ( 1.273 -1.734 0.833) 2.306 6.880 ( -0.628 4.246 1.742) 4.633 6.912 ( -4.254 -0.629 -3.395) 5.479 7.825 ( -4.346 0.359 4.775) 6.467 8.054 ( -4.015 1.684 -4.510) 6.268 8.907 ( -13.462 18.376 24.485) 33.443 9.975 ( 0.190 2.383 5.277) 5.794 10.292 ( -1.125 3.266 1.225) 3.665 10.351 ( 4.392 0.231 -0.981) 4.507 11.281 ( 10.342 -1.044 -4.238) 11.225 11.496 ( -2.051 -5.544 -7.720) 9.723 12.363 ( 5.681 -0.015 -2.725) 6.301 15.977 ( -4.975 -2.587 4.206) 7.009 16.613 ( 3.123 -6.536 -12.278) 14.256 19.182 ( 4.813 -1.546 -6.926) 8.575 19.357 ( 1.012 -4.045 1.458) 4.417 19.447 ( -0.410 -1.446 1.217) 1.934 20.622 ( -2.943 11.104 8.856) 14.504 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -5.517 -15.533 -3.535) 16.859 1.458 ( -14.082 -17.828 0.120) 22.719 2.434 ( -1.275 -17.130 -14.547) 22.510 2.805 ( 2.864 -3.006 -2.565) 4.880 2.879 ( -1.544 -0.360 -1.632) 2.275 3.505 ( 2.366 5.233 2.036) 6.093 6.663 ( 2.893 -2.173 1.034) 3.763 6.804 ( -4.355 -1.995 -2.976) 5.640 6.915 ( 0.212 1.121 1.890) 2.208 7.791 ( -2.225 -0.489 3.715) 4.357 7.970 ( -4.199 1.860 -4.141) 6.184 9.103 ( -4.453 19.292 24.664) 31.627 10.052 ( 1.157 3.681 5.695) 6.879 10.318 ( 0.188 3.751 -0.980) 3.882 10.445 ( 4.972 1.588 3.296) 6.173 11.288 ( -2.754 -7.680 -5.730) 9.970 11.432 ( 5.133 0.113 -7.581) 9.156 12.396 ( 0.258 0.869 -3.675) 3.785 15.909 ( -3.114 -2.593 4.269) 5.886 16.478 ( -0.587 -8.928 -12.423) 15.309 19.212 ( 4.811 -0.214 -6.774) 8.311 19.314 ( -2.052 -3.365 -1.267) 4.140 19.442 ( -0.419 0.650 1.048) 1.302 20.770 ( 1.343 8.852 10.872) 14.085 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -6.638 -20.424 3.039) 21.690 1.192 ( 3.457 -19.919 0.215) 20.218 2.120 ( 0.004 -22.077 -18.819) 29.010 2.805 ( -0.573 0.043 -1.890) 1.975 2.849 ( 0.576 -1.078 -1.132) 1.666 3.582 ( 0.509 3.754 1.282) 4.000 6.692 ( -0.953 -2.161 1.207) 2.652 6.709 ( 1.627 -3.237 -3.060) 4.742 6.931 ( 0.562 -1.340 1.475) 2.071 7.802 ( 1.114 0.500 2.408) 2.700 7.907 ( -1.905 0.646 -2.987) 3.601 9.404 ( 1.698 16.120 19.992) 25.737 10.146 ( 1.229 4.362 4.577) 6.441 10.354 ( 1.194 2.952 -1.653) 3.588 10.606 ( 6.526 5.759 7.801) 11.688 11.083 ( -6.190 -5.757 -12.291) 14.917 11.443 ( 0.230 -2.302 -3.680) 4.347 12.349 ( -4.350 0.926 -1.859) 4.820 15.883 ( -0.444 -2.492 4.564) 5.219 16.285 ( -2.223 -9.502 -10.491) 14.328 19.216 ( -4.806 -0.585 -4.239) 6.435 19.244 ( 3.497 -0.951 -4.201) 5.548 19.451 ( 0.125 0.032 1.035) 1.043 20.960 ( 3.568 7.698 9.060) 12.412 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 6.619 -17.746 1.430) 18.995 1.168 ( 14.989 -21.040 6.776) 26.707 1.799 ( 3.633 -24.111 -19.227) 31.052 2.773 ( -1.516 0.943 -1.702) 2.467 2.850 ( 0.707 -1.139 -0.477) 1.423 3.614 ( -1.125 2.739 0.801) 3.067 6.634 ( -0.414 -2.193 -1.417) 2.644 6.733 ( 3.426 -3.025 -0.861) 4.650 6.933 ( 1.087 -1.712 0.054) 2.029 7.847 ( 2.063 0.052 0.308) 2.086 7.884 ( 0.786 -0.744 -1.257) 1.659 9.679 ( 2.887 11.198 10.325) 15.502 10.219 ( -0.905 4.012 3.371) 5.318 10.386 ( 0.112 1.055 -0.385) 1.129 10.811 ( 0.859 -4.673 -15.721) 16.423 10.911 ( 3.802 11.286 9.056) 14.962 11.334 ( -7.007 -3.532 -2.963) 8.388 12.273 ( -5.501 0.416 4.384) 7.046 15.903 ( 2.108 -2.442 4.683) 5.686 16.121 ( 0.143 -7.901 -6.909) 10.497 19.107 ( -4.643 0.825 -3.472) 5.856 19.248 ( 0.664 -2.643 -0.606) 2.792 19.458 ( 0.229 -0.368 0.602) 0.742 21.124 ( 2.057 7.096 2.896) 7.935 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.000 0.000 23.119) 23.119 0.942 ( -0.000 0.000 23.119) 23.119 1.547 ( -0.000 0.000 37.587) 37.587 2.814 ( -0.000 0.000 0.239) 0.239 2.814 ( -0.000 0.000 0.239) 0.239 3.620 ( 0.000 -0.000 -3.346) 3.346 6.611 ( -0.000 0.000 3.828) 3.828 6.611 ( -0.000 0.000 3.828) 3.828 7.183 ( -0.000 0.000 2.307) 2.307 7.895 ( -0.000 0.000 3.023) 3.023 7.895 ( -0.000 0.000 3.023) 3.023 10.196 ( 0.000 -0.000 -7.713) 7.713 10.370 ( 0.000 -0.000 -1.241) 1.241 10.370 ( 0.000 -0.000 -1.241) 1.241 11.216 ( 0.000 -0.000 -5.449) 5.449 11.216 ( 0.000 -0.000 -5.449) 5.449 11.257 ( -0.000 0.000 2.522) 2.522 11.429 ( 0.000 -0.000 -0.040) 0.040 15.931 ( -0.000 0.000 3.794) 3.794 15.931 ( -0.000 0.000 3.794) 3.794 19.079 ( 0.000 -0.000 -1.872) 1.872 19.079 ( 0.000 -0.000 -1.872) 1.872 19.442 ( -0.000 0.000 0.196) 0.196 21.385 ( 0.000 -0.000 -0.777) 0.777 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -0.415 -3.695 22.453) 22.759 1.300 ( 8.170 10.399 20.918) 24.748 1.882 ( 8.389 3.711 31.566) 32.872 2.799 ( -0.531 -1.214 0.010) 1.325 2.841 ( 1.236 1.210 0.786) 1.900 3.585 ( -1.118 -0.799 -3.724) 3.969 6.623 ( -0.056 -0.319 3.749) 3.763 6.697 ( 4.146 2.438 3.966) 6.234 7.154 ( -3.306 -1.563 3.595) 5.128 7.878 ( -0.444 -2.975 1.977) 3.599 7.961 ( 1.326 3.266 3.332) 4.850 10.083 ( -5.987 -1.788 -8.190) 10.301 10.315 ( -5.710 3.131 -1.431) 6.668 10.379 ( 2.326 -1.703 -0.761) 2.981 10.735 ( -8.083 -27.572 3.637) 28.962 11.151 ( -8.252 6.626 -4.940) 11.679 11.416 ( 4.725 6.076 1.085) 7.773 11.714 ( 10.345 8.836 -7.934) 15.750 15.923 ( 0.487 -0.554 3.347) 3.427 16.049 ( 3.827 4.351 4.568) 7.378 19.019 ( -2.036 -0.275 -2.556) 3.280 19.184 ( 6.497 3.226 -0.870) 7.305 19.443 ( 0.003 -0.042 -0.047) 0.063 21.290 ( -6.005 -4.938 -0.949) 7.832 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 10.700 3.307 17.164) 20.494 1.661 ( 7.540 11.315 17.298) 22.002 2.242 ( 8.027 4.912 22.903) 24.761 2.777 ( 0.071 -2.538 0.606) 2.611 2.885 ( 1.169 1.575 1.796) 2.660 3.518 ( -2.257 -1.877 -4.115) 5.054 6.644 ( 0.407 -0.854 3.107) 3.248 6.830 ( 5.187 3.297 3.121) 6.893 7.115 ( -2.459 -0.780 3.586) 4.417 7.853 ( 0.676 -3.500 -0.016) 3.565 8.031 ( 0.326 4.014 2.436) 4.707 9.888 ( -7.573 -2.265 -8.727) 11.774 10.217 ( -7.030 0.234 -0.970) 7.100 10.397 ( 0.077 0.446 -0.354) 0.574 10.515 ( 9.438 -25.276 2.422) 27.089 11.029 ( -9.446 6.289 -6.401) 13.029 11.549 ( 1.771 6.825 3.529) 7.885 11.806 ( -0.387 5.242 -6.552) 8.400 15.972 ( 2.509 0.619 3.770) 4.570 16.187 ( 3.329 5.674 3.618) 7.508 18.978 ( -1.078 0.454 -2.086) 2.392 19.304 ( 3.442 1.858 3.339) 5.142 19.438 ( -0.165 -0.194 -0.678) 0.725 21.121 ( -5.070 -6.343 -4.056) 9.077 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 15.501 7.174 11.965) 20.854 1.973 ( 6.772 8.247 12.223) 16.226 2.505 ( 2.140 6.680 12.672) 14.484 2.774 ( 2.418 -3.811 3.570) 5.755 2.928 ( 0.311 1.552 2.732) 3.158 3.425 ( -2.947 -2.773 -4.176) 5.815 6.656 ( 0.617 -1.721 2.111) 2.793 6.952 ( 3.433 3.055 1.606) 4.868 7.106 ( -0.256 0.057 1.860) 1.878 7.838 ( 2.225 -2.816 -2.682) 4.481 8.071 ( -1.371 4.054 0.310) 4.291 9.698 ( -3.905 -4.007 -10.319) 11.738 10.097 ( -4.003 -3.583 -1.112) 5.486 10.384 ( 0.042 -1.063 -0.688) 1.267 10.533 ( 11.779 -15.249 1.199) 19.306 10.889 ( -8.742 6.020 -5.521) 11.965 11.636 ( -4.041 8.886 3.244) 10.287 11.770 ( -2.636 0.636 -0.509) 2.759 16.063 ( 3.549 1.623 4.937) 6.293 16.301 ( 2.000 5.017 1.154) 5.523 18.969 ( 0.194 0.998 -0.384) 1.087 19.365 ( -1.665 -0.628 8.389) 8.575 19.429 ( 0.191 -0.105 -1.124) 1.145 20.963 ( -2.020 -5.254 -8.733) 10.390 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 12.611 7.806 9.361) 17.538 2.191 ( 6.953 1.901 5.752) 9.222 2.592 ( -3.134 4.010 4.037) 6.496 2.837 ( 2.554 -0.353 6.562) 7.051 2.955 ( -0.889 1.181 2.891) 3.247 3.320 ( -3.171 -2.978 -3.726) 5.728 6.661 ( 0.974 -1.982 1.292) 2.558 7.009 ( -0.168 2.231 -0.584) 2.312 7.129 ( 2.217 -0.237 -0.471) 2.279 7.836 ( 3.088 -1.579 -5.576) 6.567 8.067 ( -2.856 3.710 -2.196) 5.172 9.554 ( 1.077 -5.539 -13.492) 14.624 10.007 ( -1.841 -3.084 -1.593) 3.929 10.373 ( 0.235 -0.789 -2.033) 2.193 10.536 ( -0.462 -3.097 -5.664) 6.471 10.862 ( 4.989 -1.974 5.103) 7.405 11.593 ( -10.934 8.863 -0.824) 14.099 11.782 ( -0.035 -0.628 9.257) 9.278 16.177 ( 3.128 2.422 6.660) 7.747 16.357 ( 0.540 2.617 -2.167) 3.440 18.999 ( 1.408 1.287 2.105) 2.841 19.346 ( -5.249 -2.256 9.610) 11.180 19.430 ( 0.207 -0.594 0.689) 0.933 20.849 ( 1.146 -2.613 -12.459) 12.782 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -0.649 1.307 3.929) 4.191 2.375 ( 10.261 0.577 4.897) 11.384 2.558 ( -4.720 -1.294 1.293) 5.062 2.913 ( 1.085 3.038 4.740) 5.734 2.956 ( -1.855 0.413 2.189) 2.899 3.216 ( -3.593 -1.781 -3.357) 5.230 6.671 ( 1.250 -1.301 1.205) 2.170 6.991 ( -2.266 1.327 -3.131) 4.086 7.153 ( 2.496 -1.913 -2.022) 3.739 7.837 ( 3.092 -0.170 -7.897) 8.482 8.025 ( -3.491 3.232 -4.325) 6.429 9.445 ( 4.544 -5.777 -19.480) 20.820 9.961 ( 0.095 -1.036 -1.496) 1.823 10.317 ( -4.175 0.905 -5.670) 7.100 10.472 ( -0.310 0.750 -3.170) 3.272 11.024 ( 9.991 -4.881 10.725) 15.449 11.482 ( -10.684 6.170 1.748) 12.461 11.849 ( -0.193 1.314 11.546) 11.623 16.280 ( -1.048 4.592 5.630) 7.340 16.349 ( 1.484 -2.360 -2.260) 3.589 19.063 ( 2.031 1.230 4.403) 5.003 19.282 ( -6.577 -3.030 10.323) 12.609 19.432 ( 0.576 -0.870 0.332) 1.095 20.793 ( 3.410 0.331 -13.879) 14.295 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -6.671 -5.103 -1.399) 8.515 2.400 ( -9.040 -7.126 -2.261) 11.731 2.533 ( 1.027 2.629 6.393) 6.989 2.929 ( -1.821 -1.580 1.441) 2.809 2.966 ( -2.058 -2.643 4.654) 5.734 3.174 ( 2.422 5.212 -2.925) 6.449 6.693 ( 0.798 -0.063 1.898) 2.060 6.927 ( -3.103 0.037 -4.523) 5.485 7.143 ( 1.510 -3.938 -3.033) 5.195 7.839 ( 2.909 1.371 -8.509) 9.097 7.962 ( -3.491 2.572 -5.756) 7.206 9.341 ( 6.222 -3.951 -26.160) 27.178 9.976 ( 2.545 1.328 -1.468) 3.225 10.229 ( -3.129 1.266 -3.374) 4.773 10.482 ( 2.482 -0.270 -2.078) 3.248 11.176 ( 0.093 0.729 12.339) 12.361 11.401 ( -3.504 -0.203 3.885) 5.235 11.957 ( 1.664 3.085 12.109) 12.606 16.238 ( -4.268 1.055 -6.784) 8.084 16.392 ( 0.579 -1.872 9.966) 10.157 19.138 ( 1.264 1.519 5.456) 5.802 19.213 ( -5.140 -3.488 9.717) 11.533 19.439 ( 1.159 -0.749 -0.373) 1.430 20.789 ( 4.767 2.410 -13.441) 14.463 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -11.481 -8.006 -3.319) 14.385 2.085 ( -14.677 -9.848 -7.410) 19.165 2.546 ( -6.836 -0.807 9.025) 11.350 2.865 ( -4.972 -3.677 2.935) 6.845 2.897 ( -2.304 -1.547 1.715) 3.262 3.327 ( 7.895 5.257 -0.435) 9.495 6.715 ( -0.651 1.186 2.636) 2.963 6.841 ( -2.559 -1.660 -4.205) 5.195 7.088 ( -0.185 -4.978 -3.891) 6.321 7.852 ( 2.176 2.226 -6.501) 7.208 7.890 ( -2.781 1.625 -5.888) 6.711 9.266 ( 8.911 -0.274 -28.834) 30.181 10.036 ( 3.653 2.536 -3.355) 5.571 10.210 ( 1.097 0.571 0.456) 1.319 10.513 ( 3.925 -1.010 -3.223) 5.179 11.182 ( -11.388 6.434 12.830) 18.322 11.417 ( 3.789 -5.614 5.021) 8.431 12.111 ( 3.472 3.914 10.905) 12.095 16.115 ( -4.267 -1.087 -8.129) 9.245 16.419 ( -3.620 -2.119 11.915) 12.632 19.168 ( -4.628 2.632 6.795) 8.632 19.206 ( 2.201 -3.882 6.951) 8.261 19.449 ( 1.219 -0.605 -0.776) 1.567 20.823 ( 5.857 3.032 -12.326) 13.979 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -15.856 -8.003 -2.844) 17.988 1.647 ( -18.064 -11.917 -9.241) 23.531 2.394 ( -14.803 -7.374 14.036) 21.692 2.804 ( -2.373 0.496 2.249) 3.306 2.866 ( -0.767 -1.764 1.252) 2.295 3.486 ( 6.186 2.989 -0.290) 6.877 6.721 ( -2.616 2.211 2.209) 4.076 6.763 ( -1.086 -3.844 -2.079) 4.503 7.001 ( -1.590 -4.003 -3.951) 5.844 7.828 ( -0.937 0.225 -5.092) 5.182 7.877 ( 0.756 2.355 -1.357) 2.821 9.280 ( 12.237 3.617 -26.823) 29.704 10.093 ( 3.764 1.910 -4.598) 6.242 10.272 ( 3.967 0.731 1.922) 4.468 10.553 ( 5.671 -1.454 -5.596) 8.098 11.128 ( -10.816 4.399 13.306) 17.702 11.447 ( 1.058 -3.562 4.746) 6.027 12.264 ( 2.429 4.233 7.529) 8.972 15.985 ( -3.712 -1.520 -7.149) 8.198 16.381 ( -7.215 -2.712 11.947) 14.218 19.180 ( -2.218 3.110 6.363) 7.421 19.237 ( 0.836 -3.276 5.351) 6.330 19.455 ( 0.685 -0.400 -1.049) 1.315 20.882 ( 7.063 2.198 -11.122) 13.357 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -3.129 -3.477 21.294) 21.802 1.375 ( 4.499 5.615 22.969) 24.069 2.101 ( -0.298 9.959 28.402) 30.099 2.815 ( -1.555 0.824 0.139) 1.765 2.838 ( 1.108 1.319 0.523) 1.800 3.563 ( -0.143 -0.993 -3.894) 4.021 6.663 ( -0.331 0.839 4.097) 4.195 6.703 ( 0.144 2.467 4.701) 5.311 7.165 ( 0.270 -4.943 3.376) 5.993 7.900 ( -2.660 -2.000 2.569) 4.204 7.973 ( 2.503 2.234 2.673) 4.289 9.999 ( 1.158 -12.934 -7.629) 15.061 10.242 ( 1.703 -11.030 -0.200) 11.163 10.370 ( -1.254 0.892 -1.218) 1.963 10.747 ( -15.162 -19.056 -5.410) 24.946 11.149 ( 9.970 2.048 0.331) 10.183 11.367 ( 1.773 4.157 0.823) 4.594 11.780 ( 1.570 21.649 -6.651) 22.702 15.911 ( -0.291 -3.319 3.667) 4.955 16.117 ( 1.262 9.444 4.832) 10.683 19.072 ( 2.194 4.517 -2.950) 5.824 19.127 ( -1.957 4.408 -1.600) 5.082 19.442 ( -0.041 -0.323 -0.074) 0.334 21.269 ( -1.044 -10.340 -0.428) 10.401 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 2.810 1.918 20.630) 20.909 1.702 ( 9.342 6.019 18.460) 21.547 2.384 ( 3.075 9.372 22.160) 24.256 2.785 ( -2.557 0.469 0.039) 2.600 2.886 ( 1.742 1.902 1.380) 2.926 3.509 ( -1.734 -1.692 -4.132) 4.789 6.673 ( -1.546 0.182 3.785) 4.092 6.803 ( 4.135 2.993 4.149) 6.578 7.132 ( -0.368 -5.212 3.320) 6.191 7.840 ( -2.548 -3.342 1.377) 4.422 8.055 ( 2.257 2.731 1.565) 3.873 9.771 ( 0.111 -24.512 -8.011) 25.788 10.143 ( 1.635 -15.320 0.432) 15.413 10.347 ( -2.100 2.035 -1.756) 3.411 10.433 ( -4.704 -4.810 -2.455) 7.161 11.163 ( -5.656 2.988 -1.636) 6.603 11.527 ( 7.462 4.133 2.652) 8.933 11.931 ( -2.370 18.038 -7.695) 19.754 15.928 ( 2.872 -2.729 3.904) 5.563 16.273 ( 1.007 11.855 3.665) 12.449 19.047 ( -4.802 5.734 -2.183) 7.791 19.249 ( 7.257 4.350 -0.454) 8.473 19.433 ( -0.183 -0.774 -0.552) 0.968 21.092 ( -4.700 -13.369 -0.967) 14.204 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 10.154 6.710 16.497) 20.501 1.997 ( 6.989 5.172 12.598) 15.307 2.648 ( 4.617 6.579 14.989) 17.008 2.745 ( -3.288 1.106 1.035) 3.620 2.943 ( 1.495 1.450 2.085) 2.947 3.423 ( -2.934 -2.240 -4.072) 5.496 6.665 ( -1.384 -0.928 2.720) 3.190 6.927 ( 4.238 2.843 2.253) 5.578 7.102 ( 0.164 -4.569 2.453) 5.189 7.778 ( -0.695 -3.491 -1.127) 3.733 8.109 ( 0.680 2.306 -0.586) 2.474 9.489 ( 3.500 -26.712 -8.933) 28.383 10.037 ( 0.706 -9.857 -0.238) 9.885 10.337 ( 1.103 -0.647 0.294) 1.312 10.378 ( 0.934 -1.837 -1.099) 2.336 11.056 ( -9.001 4.768 -4.052) 10.962 11.691 ( 4.881 2.802 5.683) 7.998 11.953 ( -7.979 14.832 -6.203) 17.948 16.001 ( 5.389 -2.380 4.587) 7.466 16.404 ( -1.592 12.093 1.303) 12.266 19.027 ( -3.161 6.048 -0.388) 6.835 19.395 ( 4.142 2.321 4.192) 6.334 19.415 ( -0.061 -0.918 -1.268) 1.566 20.874 ( -3.445 -12.727 -4.814) 14.036 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 13.234 8.243 12.206) 19.801 2.177 ( 2.656 2.837 6.027) 7.171 2.703 ( -2.360 -1.323 1.454) 3.071 2.850 ( 2.157 6.391 9.369) 11.545 2.983 ( 0.530 0.248 2.172) 2.249 3.325 ( -3.267 -2.116 -3.320) 5.116 6.649 ( -0.540 -1.379 1.388) 2.030 7.009 ( 2.602 0.987 -0.826) 2.902 7.078 ( 0.311 -3.823 0.791) 3.916 7.741 ( 1.675 -2.450 -4.158) 5.108 8.113 ( -0.926 1.520 -2.769) 3.292 9.279 ( 6.377 -21.221 -10.376) 24.468 9.973 ( 0.176 -4.660 -0.953) 4.760 10.347 ( 0.514 -0.086 -1.485) 1.574 10.409 ( 6.003 -5.235 2.202) 8.264 10.923 ( -7.981 4.055 -3.508) 9.615 11.815 ( 1.605 2.613 7.193) 7.819 11.895 ( -10.194 11.966 -2.280) 15.883 16.114 ( 6.945 -2.495 5.518) 9.214 16.460 ( -4.647 10.420 -1.389) 11.493 19.054 ( -1.638 6.389 2.408) 7.022 19.393 ( -0.144 -0.937 -1.339) 1.641 19.478 ( -0.922 -0.614 9.367) 9.432 20.692 ( 0.902 -9.508 -10.701) 14.343 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.645 4.649 4.843) 7.216 2.250 ( 7.998 1.580 5.575) 9.877 2.644 ( -4.535 -0.946 0.571) 4.668 2.963 ( 0.071 3.140 5.525) 6.355 2.989 ( -0.424 -0.881 1.113) 1.481 3.237 ( -3.161 -1.338 -2.209) 4.082 6.647 ( 0.987 -0.656 0.526) 1.297 7.024 ( -0.039 0.172 -3.040) 3.045 7.040 ( 1.218 -5.752 -2.079) 6.236 7.731 ( 2.974 -0.480 -6.763) 7.403 8.080 ( -2.107 1.469 -3.785) 4.574 9.150 ( 6.497 -12.850 -13.937) 20.039 9.937 ( 0.111 -1.362 -1.678) 2.164 10.336 ( -0.777 0.777 -3.319) 3.496 10.446 ( 1.948 -3.480 -1.301) 4.195 10.886 ( 3.388 -2.353 5.187) 6.627 11.786 ( -12.014 10.374 -0.685) 15.888 11.933 ( 0.768 2.094 10.562) 10.795 16.241 ( 6.657 -3.023 4.752) 8.720 16.439 ( -6.529 7.612 -1.524) 10.144 19.119 ( -0.972 5.904 5.330) 8.013 19.376 ( -0.347 -0.344 -0.701) 0.854 19.472 ( -5.115 -3.063 11.168) 12.660 20.595 ( 5.803 -5.250 -14.951) 16.875 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -6.794 -2.706 -1.011) 7.383 2.445 ( -1.046 -4.698 2.605) 5.473 2.582 ( 0.309 6.303 2.427) 6.761 2.944 ( -2.061 -3.323 1.606) 4.227 3.016 ( -0.864 0.515 3.982) 4.107 3.176 ( -1.088 1.069 -2.405) 2.848 6.679 ( 2.150 0.664 0.812) 2.392 6.957 ( -3.460 -1.376 -3.912) 5.401 7.004 ( 3.583 -6.738 -4.729) 8.978 7.746 ( 3.587 2.012 -7.861) 8.872 8.028 ( -3.452 2.443 -3.859) 5.725 9.052 ( 4.716 -4.439 -20.518) 21.515 9.936 ( 1.811 0.546 -1.960) 2.724 10.281 ( -3.867 2.192 -4.862) 6.588 10.426 ( 1.474 -2.630 -1.481) 3.360 11.030 ( 11.542 -7.610 10.859) 17.579 11.670 ( -12.635 7.635 2.203) 14.926 12.042 ( 1.283 2.768 11.344) 11.748 16.270 ( -2.316 0.163 -6.502) 6.904 16.438 ( -0.302 0.810 10.241) 10.278 19.187 ( -1.303 2.223 7.843) 8.255 19.360 ( -3.717 1.669 3.807) 5.576 19.421 ( -2.448 -2.434 4.379) 5.576 20.585 ( 8.431 -2.085 -15.574) 17.832 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -10.709 -5.384 -0.775) 12.011 2.226 ( -14.054 -4.096 -5.750) 15.727 2.682 ( -2.000 2.573 6.082) 6.900 2.887 ( -1.337 -3.190 1.310) 3.699 2.975 ( -5.532 -3.671 6.298) 9.151 3.237 ( 6.748 3.849 -2.561) 8.179 6.732 ( 1.634 0.939 2.118) 2.835 6.853 ( -3.134 -2.005 -4.812) 6.082 6.965 ( 2.790 -5.822 -4.888) 8.097 7.790 ( 3.642 3.870 -6.856) 8.674 7.963 ( -4.924 3.750 -3.522) 7.121 8.971 ( 5.269 2.508 -26.346) 26.985 9.977 ( 3.249 1.748 -3.367) 4.995 10.225 ( -1.823 1.956 -1.883) 3.270 10.426 ( 2.673 -3.148 -1.274) 4.322 11.215 ( 10.599 -8.089 10.910) 17.227 11.542 ( -12.000 4.261 4.406) 13.475 12.174 ( 2.447 3.112 10.812) 11.514 16.148 ( -5.703 0.814 -8.292) 10.097 16.511 ( -0.298 -2.605 13.638) 13.888 19.200 ( -1.758 -4.698 8.994) 10.298 19.348 ( -5.615 6.380 5.604) 10.180 19.412 ( 1.554 -0.707 -1.185) 2.078 20.625 ( 8.901 -0.245 -14.529) 17.041 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -13.808 -5.250 2.129) 14.925 1.864 ( -20.226 -1.738 -7.505) 21.644 2.624 ( -9.182 -3.793 8.828) 13.290 2.862 ( -2.648 -1.419 3.197) 4.387 2.885 ( -3.048 -2.613 3.619) 5.405 3.387 ( 7.988 2.290 -1.605) 8.463 6.726 ( -0.987 -4.396 -1.618) 4.787 6.805 ( -1.869 3.652 1.093) 4.246 6.928 ( 1.830 -3.546 -4.181) 5.780 7.827 ( -0.008 2.736 -5.620) 6.251 7.918 ( -2.401 5.501 -0.285) 6.009 8.968 ( 9.506 8.351 -28.163) 30.874 10.020 ( 3.136 1.688 -5.396) 6.466 10.244 ( 2.003 1.908 0.835) 2.889 10.434 ( 3.312 -3.420 -1.946) 5.144 11.354 ( 6.321 -6.239 9.732) 13.176 11.411 ( -10.098 0.666 5.281) 11.415 12.309 ( 2.783 2.274 8.459) 9.190 16.012 ( -5.284 0.701 -6.869) 8.694 16.533 ( -4.197 -3.682 14.001) 15.073 19.187 ( 0.392 -5.448 7.851) 9.564 19.348 ( -4.606 4.310 3.498) 7.213 19.430 ( 1.085 0.683 -1.024) 1.641 20.687 ( 8.517 1.265 -13.195) 15.756 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -3.147 3.722 18.598) 19.226 1.588 ( -7.263 0.877 22.430) 23.593 2.365 ( -1.765 8.104 18.504) 20.277 2.833 ( 1.434 2.005 1.399) 2.835 2.871 ( -2.064 1.984 2.007) 3.497 3.518 ( 1.371 -1.105 -4.126) 4.486 6.690 ( 0.939 1.550 3.846) 4.252 6.796 ( -3.954 2.442 3.711) 5.947 7.121 ( 0.710 -5.793 3.295) 6.702 7.920 ( 1.488 0.335 0.967) 1.806 7.978 ( -1.177 -1.060 2.116) 2.644 9.765 ( -0.103 -20.826 -5.440) 21.525 10.148 ( -0.697 -7.266 -1.963) 7.559 10.382 ( -0.548 -0.131 -0.659) 0.867 10.724 ( -9.275 -17.392 -9.046) 21.688 11.010 ( 15.712 15.202 0.526) 21.869 11.432 ( -4.291 1.126 1.409) 4.654 11.868 ( 4.215 12.949 -3.102) 13.966 15.932 ( -3.140 -3.273 3.802) 5.918 16.227 ( 0.690 9.879 4.689) 10.957 19.019 ( 4.302 4.173 -2.149) 6.367 19.265 ( -6.241 4.820 0.115) 7.886 19.435 ( 0.126 -0.663 -0.517) 0.850 21.139 ( 2.977 -10.198 -2.399) 10.892 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.048 2.795 18.641) 18.961 1.756 ( 4.670 3.642 22.738) 23.496 2.535 ( 1.346 6.877 10.978) 13.024 2.852 ( -0.912 1.398 0.706) 1.812 2.906 ( -0.790 4.437 4.590) 6.433 3.487 ( -0.453 -1.516 -4.115) 4.408 6.732 ( -1.331 0.776 3.761) 4.064 6.812 ( 0.828 2.570 4.190) 4.984 7.082 ( 0.630 -7.839 2.634) 8.294 7.873 ( -3.502 -3.814 1.949) 5.532 8.034 ( 3.355 1.927 0.088) 3.870 9.426 ( -2.019 -35.968 -3.730) 36.218 10.046 ( -1.417 -6.797 -2.427) 7.355 10.370 ( -0.193 -0.114 -1.434) 1.451 10.432 ( -5.205 -6.289 -5.296) 9.730 11.276 ( -0.396 8.359 1.045) 8.433 11.457 ( 5.539 4.574 -0.077) 7.184 12.050 ( 2.710 14.674 -5.011) 15.741 15.899 ( 0.093 -2.955 3.976) 4.955 16.397 ( 1.903 13.288 3.784) 13.946 19.154 ( 6.055 6.652 -1.770) 9.168 19.208 ( -5.425 6.101 -1.435) 8.290 19.422 ( -0.128 -1.248 -0.727) 1.451 21.005 ( -2.236 -15.671 -0.848) 15.853 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 4.724 6.096 17.499) 19.123 2.021 ( 6.167 3.522 17.391) 18.785 2.651 ( 1.866 1.221 3.033) 3.764 2.877 ( -0.045 4.141 2.241) 4.709 2.965 ( -1.217 4.306 5.381) 6.998 3.423 ( -2.106 -1.742 -3.704) 4.603 6.714 ( -2.931 -0.704 3.041) 4.282 6.900 ( 3.199 1.539 2.381) 4.274 7.040 ( 1.958 -7.297 2.433) 7.938 7.782 ( -3.718 -3.984 0.790) 5.506 8.088 ( 2.073 0.846 -2.593) 3.426 9.056 ( 4.125 -37.088 -1.717) 37.356 9.955 ( -0.367 -5.686 -1.329) 5.851 10.318 ( 0.050 -4.059 -2.157) 4.596 10.364 ( -1.314 1.852 -1.708) 2.841 11.242 ( -8.940 6.311 -1.498) 11.045 11.642 ( 7.961 4.562 1.859) 9.361 12.148 ( -2.961 12.940 -5.507) 14.371 15.928 ( 3.357 -2.652 4.299) 6.065 16.562 ( -0.640 14.155 1.235) 14.224 19.169 ( -5.103 8.215 -0.192) 9.673 19.335 ( 7.736 4.742 -0.067) 9.074 19.399 ( -0.269 -1.538 -1.025) 1.868 20.778 ( -4.444 -17.039 -1.584) 17.680 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 9.251 7.536 14.188) 18.539 2.218 ( 2.412 3.642 9.452) 10.412 2.675 ( 1.241 -2.875 1.160) 3.340 2.937 ( 2.011 1.529 0.156) 2.530 3.014 ( -2.222 4.934 5.062) 7.410 3.344 ( -2.973 -1.342 -2.493) 4.106 6.670 ( -2.421 -1.699 1.606) 3.365 6.925 ( 2.434 -5.818 -2.106) 6.649 7.061 ( 1.763 -0.405 2.948) 3.459 7.695 ( -1.819 -3.210 -1.384) 3.941 8.083 ( 1.288 -1.676 -5.411) 5.809 8.858 ( 9.868 -27.898 0.636) 29.599 9.913 ( 1.252 -3.846 -0.153) 4.047 10.298 ( 2.888 -4.198 0.226) 5.101 10.349 ( -1.059 1.387 -1.590) 2.361 11.112 ( -11.085 6.027 -4.313) 13.334 11.812 ( 5.656 2.741 4.544) 7.756 12.142 ( -7.279 10.938 -4.319) 13.831 16.010 ( 5.922 -2.705 4.649) 8.000 16.647 ( -4.774 12.578 -1.620) 13.551 19.193 ( -3.196 9.289 2.781) 10.210 19.372 ( -0.092 -1.324 -1.450) 1.966 19.494 ( 5.186 2.046 4.187) 6.972 20.531 ( -2.859 -15.229 -5.915) 16.586 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 10.753 6.297 10.488) 16.288 2.282 ( -2.975 3.030 2.460) 4.908 2.664 ( 0.066 -2.999 0.762) 3.095 2.959 ( 1.730 -2.631 -1.260) 3.392 3.047 ( -2.205 3.865 3.215) 5.490 3.270 ( -3.217 -0.985 -1.108) 3.542 6.634 ( -0.280 -1.193 -0.188) 1.240 6.879 ( 2.846 -8.446 -3.185) 9.465 7.074 ( -2.075 1.020 -0.242) 2.325 7.653 ( 1.244 -1.043 -3.804) 4.136 8.052 ( 1.751 -2.219 -5.431) 6.122 8.824 ( 9.966 -15.698 -0.442) 18.599 9.908 ( 1.002 -1.422 -0.682) 1.869 10.317 ( 2.734 -3.410 -0.618) 4.414 10.348 ( 1.769 -0.966 0.488) 2.074 10.960 ( -8.755 3.978 -3.314) 10.171 11.938 ( 2.440 1.736 5.195) 5.996 12.080 ( -8.147 8.152 -0.941) 11.563 16.123 ( 7.068 -2.899 4.284) 8.758 16.629 ( -7.733 9.133 -2.633) 12.254 19.266 ( -2.765 8.964 6.626) 11.485 19.354 ( 0.352 -0.755 -1.501) 1.716 19.583 ( -0.794 -0.563 8.760) 8.814 20.342 ( 3.275 -10.872 -12.797) 17.108 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -7.439 1.349 -0.485) 7.576 2.397 ( 6.448 -0.019 7.391) 9.808 2.641 ( -0.296 2.541 -1.473) 2.952 2.934 ( 0.071 -4.035 -1.073) 4.176 3.055 ( -1.398 1.343 1.448) 2.419 3.203 ( -2.933 -1.421 0.210) 3.266 6.644 ( 2.614 0.442 -1.582) 3.088 6.825 ( 2.601 -8.230 -2.786) 9.070 7.017 ( -4.037 0.755 -2.657) 4.892 7.665 ( 3.156 1.814 -5.452) 6.556 8.034 ( 1.240 -0.592 -3.798) 4.039 8.843 ( 5.529 -4.044 -6.995) 9.790 9.907 ( 0.721 0.320 -1.738) 1.909 10.312 ( 0.012 0.159 -2.846) 2.850 10.362 ( 1.154 -2.988 -0.509) 3.243 10.907 ( 1.945 -1.987 4.586) 5.364 11.919 ( -9.015 3.979 -0.149) 9.856 12.100 ( 1.565 2.029 7.450) 7.878 16.219 ( 4.244 -1.977 0.086) 4.683 16.562 ( -6.303 4.084 2.106) 7.801 19.323 ( -4.800 2.864 9.571) 11.084 19.356 ( 1.388 -0.169 -0.576) 1.512 19.573 ( -6.309 2.126 7.493) 10.023 20.286 ( 10.280 -5.729 -15.815) 19.713 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -10.695 -0.308 0.551) 10.714 2.366 ( -8.334 -2.195 -1.313) 8.717 2.733 ( 2.806 3.926 2.029) 5.235 2.878 ( -0.922 -3.619 -0.162) 3.738 3.051 ( -1.432 -1.886 3.430) 4.168 3.166 ( 1.055 -0.313 -0.684) 1.296 6.707 ( 4.531 1.991 -1.965) 5.325 6.767 ( 0.771 -6.431 -2.512) 6.947 6.944 ( -3.203 0.931 -2.162) 3.975 7.722 ( 4.270 4.428 -5.835) 8.478 8.027 ( -0.651 1.556 -1.863) 2.513 8.826 ( 0.741 5.901 -16.725) 17.751 9.925 ( 2.185 1.176 -2.490) 3.516 10.276 ( -3.002 3.070 -4.162) 5.980 10.346 ( 1.924 -4.333 0.285) 4.749 11.024 ( 10.018 -6.996 10.108) 15.858 11.780 ( -10.704 1.574 1.121) 10.877 12.204 ( 3.319 0.273 7.831) 8.510 16.193 ( -3.553 0.979 -6.940) 7.858 16.564 ( -0.053 -2.149 11.239) 11.443 19.281 ( -5.787 -4.771 9.960) 12.468 19.372 ( 1.562 -0.579 -0.988) 1.937 19.545 ( -6.536 6.983 3.299) 10.118 20.351 ( 11.909 -1.054 -13.580) 18.093 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -12.950 0.635 3.126) 13.337 2.138 ( -15.745 1.071 -2.694) 16.010 2.724 ( -3.790 -2.098 0.319) 4.344 2.880 ( 1.056 -0.021 2.001) 2.263 2.983 ( -6.429 -5.249 7.916) 11.469 3.250 ( 8.226 1.098 -2.425) 8.646 6.695 ( -1.455 -3.619 -1.757) 4.278 6.798 ( 5.189 2.331 -2.866) 6.370 6.911 ( -2.134 1.802 1.165) 3.027 7.803 ( 3.115 5.208 -5.167) 7.970 8.020 ( -2.414 3.787 0.737) 4.551 8.805 ( 2.256 13.782 -23.796) 27.591 9.958 ( 2.316 1.530 -4.312) 5.128 10.253 ( -0.479 3.022 -1.653) 3.478 10.344 ( 2.467 -4.314 0.578) 5.003 11.189 ( 10.079 -8.566 9.807) 16.467 11.619 ( -10.193 -0.770 3.078) 10.676 12.305 ( 3.876 -1.696 6.237) 7.536 16.077 ( -5.726 2.086 -6.862) 9.177 16.616 ( -0.222 -4.943 13.624) 14.494 19.204 ( -2.981 -5.984 7.849) 10.311 19.384 ( 0.963 0.040 -1.666) 1.924 19.508 ( -5.562 2.768 1.076) 6.305 20.474 ( 10.162 3.919 -10.842) 15.368 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -8.700 8.488 15.009) 19.313 1.875 ( -10.810 -0.316 17.297) 20.399 2.528 ( -0.671 3.810 7.874) 8.773 2.849 ( 0.147 1.251 2.832) 3.099 2.941 ( -0.278 2.719 5.223) 5.895 3.444 ( 2.865 -1.112 -4.396) 5.364 6.711 ( 1.359 2.072 2.623) 3.608 6.902 ( -4.047 1.277 1.355) 4.455 7.085 ( -0.921 -5.149 2.204) 5.676 7.889 ( 2.738 1.360 -0.901) 3.187 7.994 ( -2.049 -3.511 -0.001) 4.065 9.568 ( -3.567 -18.791 -5.672) 19.950 10.081 ( -0.004 -5.499 -1.855) 5.803 10.380 ( -0.384 -0.620 -0.746) 1.043 10.623 ( -3.637 -14.338 -9.398) 17.525 10.942 ( 11.118 18.392 -0.290) 21.493 11.514 ( -2.924 -0.524 2.161) 3.674 11.873 ( 5.286 7.149 1.555) 9.026 15.999 ( -5.467 -3.375 4.253) 7.706 16.333 ( 1.066 9.504 3.196) 10.083 18.998 ( 2.117 4.599 -0.464) 5.084 19.397 ( -3.229 1.960 4.899) 6.186 19.418 ( 0.140 -0.827 -1.220) 1.480 20.961 ( 3.960 -7.819 -6.868) 11.135 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -6.491 5.715 14.986) 17.302 1.902 ( -1.512 1.442 22.345) 22.442 2.617 ( 1.006 5.856 2.209) 6.339 2.856 ( 0.044 -0.484 0.732) 0.879 3.017 ( -0.545 4.514 7.001) 8.348 3.438 ( 1.308 -1.559 -4.395) 4.843 6.768 ( 0.841 1.593 3.047) 3.540 6.868 ( -2.147 1.021 1.579) 2.854 7.013 ( -0.895 -8.667 1.759) 8.889 7.882 ( -1.291 -5.505 0.997) 5.742 7.992 ( 3.037 1.887 -1.575) 3.907 9.162 ( -9.420 -34.176 -1.253) 35.473 9.999 ( -1.559 -4.980 -2.747) 5.897 10.338 ( -1.193 -4.555 -2.907) 5.534 10.428 ( -2.224 -2.720 -3.345) 4.851 11.271 ( 11.153 12.956 -3.923) 17.540 11.502 ( -3.890 3.215 3.483) 6.132 12.068 ( 6.502 10.384 -1.497) 12.343 15.921 ( -2.958 -3.014 4.296) 6.024 16.505 ( 3.149 13.196 2.836) 13.860 19.110 ( 4.618 6.912 -0.600) 8.334 19.364 ( -5.540 4.056 0.913) 6.927 19.406 ( -0.198 -0.930 -0.552) 1.099 20.856 ( 0.627 -14.510 -4.047) 15.077 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.403 6.177 15.055) 16.278 2.084 ( 3.670 0.953 21.220) 21.557 2.676 ( -0.642 4.650 -1.891) 5.061 2.866 ( 1.494 -0.410 -0.342) 1.586 3.085 ( -1.287 4.567 5.255) 7.080 3.403 ( -0.212 -1.936 -3.808) 4.277 6.778 ( -2.899 -0.626 3.045) 4.251 6.872 ( 0.703 -3.252 -0.669) 3.394 6.947 ( 2.754 -5.656 3.301) 7.104 7.804 ( -2.307 -5.107 0.764) 5.655 8.038 ( 1.694 0.540 -4.001) 4.379 8.694 ( -3.676 -36.267 4.851) 36.774 9.913 ( -1.304 -4.184 -1.862) 4.762 10.259 ( -0.049 -4.229 -2.360) 4.843 10.396 ( -1.183 1.736 -1.574) 2.626 11.447 ( -7.624 7.152 0.826) 10.487 11.539 ( 9.906 5.815 -2.515) 11.758 12.229 ( 2.448 9.707 -3.669) 10.662 15.900 ( 0.260 -2.590 4.548) 5.240 16.698 ( 1.833 14.538 0.194) 14.654 19.256 ( 5.265 5.683 -1.652) 7.922 19.329 ( -3.482 4.849 0.989) 6.051 19.390 ( -0.915 0.796 0.176) 1.226 20.661 ( -2.668 -17.449 -2.305) 17.802 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 5.379 6.485 13.104) 15.579 2.275 ( 3.306 0.449 16.082) 16.425 2.669 ( -1.875 2.227 -2.608) 3.909 2.881 ( 2.200 -1.975 -2.030) 3.586 3.125 ( -1.831 4.325 1.844) 5.046 3.352 ( -1.223 -1.906 -2.492) 3.367 6.709 ( -3.858 -4.115 1.780) 5.915 6.812 ( 1.304 -6.896 -2.582) 7.478 7.031 ( 4.585 0.267 4.126) 6.174 7.715 ( -3.912 -3.682 0.729) 5.422 7.978 ( 0.668 -6.999 -7.448) 10.242 8.487 ( 7.359 -23.945 10.474) 27.152 9.864 ( 0.509 -2.975 -0.099) 3.020 10.225 ( 1.370 -3.310 -0.804) 3.672 10.381 ( -1.670 2.026 -1.496) 3.022 11.338 ( -11.306 5.755 -2.468) 12.924 11.741 ( 8.526 4.427 -0.320) 9.612 12.285 ( -2.539 7.800 -4.462) 9.337 15.935 ( 3.312 -2.591 4.669) 6.284 16.822 ( -2.553 13.303 -3.204) 13.919 19.320 ( -0.571 3.018 0.422) 3.100 19.362 ( 1.896 3.346 -2.297) 4.479 19.449 ( 2.663 4.676 5.020) 7.359 20.414 ( -4.544 -16.938 -3.211) 17.829 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 8.304 5.151 10.130) 14.075 2.385 ( -1.267 2.382 7.852) 8.303 2.637 ( -0.970 -1.152 -0.894) 1.751 2.874 ( 2.532 -3.845 -3.057) 5.527 3.130 ( -2.291 3.161 -0.684) 3.963 3.295 ( -1.933 -2.026 -1.169) 3.034 6.620 ( -1.340 -4.821 -0.822) 5.071 6.762 ( 1.024 -4.921 -0.975) 5.120 7.104 ( 0.429 0.783 1.466) 1.717 7.628 ( -2.045 -2.375 -0.528) 3.179 7.913 ( 5.137 -6.585 -5.718) 10.122 8.536 ( 10.561 -13.883 10.703) 20.466 9.869 ( 1.914 -1.311 0.743) 2.436 10.226 ( 2.538 -3.427 0.478) 4.291 10.362 ( -1.603 1.722 -1.158) 2.623 11.163 ( -12.566 5.246 -5.212) 14.580 11.902 ( 6.352 1.954 2.131) 6.979 12.248 ( -5.874 5.340 -4.046) 8.911 16.015 ( 5.660 -2.801 4.450) 7.726 16.823 ( -7.068 9.788 -5.239) 13.161 19.323 ( 0.515 -0.976 -0.322) 1.150 19.460 ( -1.399 10.628 6.030) 12.299 19.570 ( 5.680 0.472 3.646) 6.766 20.158 ( -3.741 -13.920 -7.390) 16.198 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 7.412 2.542 7.364) 10.753 2.373 ( -6.867 3.505 2.098) 7.990 2.616 ( 1.668 -1.973 -0.989) 2.767 2.858 ( 2.223 -3.947 -2.836) 5.344 3.102 ( -2.489 1.287 -2.573) 3.804 3.235 ( -2.367 -2.558 0.961) 3.615 6.577 ( 1.894 -2.520 -2.535) 4.045 6.743 ( 0.807 -2.323 1.132) 2.707 7.076 ( -3.702 0.238 -1.472) 3.991 7.610 ( 1.793 0.613 -2.393) 3.053 7.934 ( 5.587 -2.568 -3.640) 7.146 8.675 ( 9.576 -5.592 7.286) 13.269 9.893 ( 0.879 0.441 -0.203) 1.004 10.243 ( 2.864 -3.750 0.754) 4.779 10.354 ( -0.407 1.402 -0.812) 1.671 10.983 ( -8.956 2.791 -3.520) 10.019 12.009 ( 2.131 0.544 2.519) 3.345 12.159 ( -5.060 1.633 -1.895) 5.644 16.115 ( 6.112 -2.710 2.956) 7.310 16.730 ( -8.427 5.219 -3.702) 10.581 19.326 ( 0.978 -0.347 -0.535) 1.168 19.509 ( -6.527 -1.509 13.458) 15.033 19.721 ( 1.514 10.321 3.128) 10.891 19.966 ( 5.239 -9.685 -14.147) 17.927 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -10.247 3.425 0.703) 10.827 2.434 ( -1.520 -2.729 3.998) 5.074 2.684 ( 6.932 2.274 -0.661) 7.325 2.838 ( 1.151 -2.329 -2.156) 3.376 3.043 ( -1.555 -0.775 -4.193) 4.539 3.185 ( -2.200 -3.138 3.867) 5.444 6.605 ( 4.545 0.665 -3.140) 5.564 6.748 ( -0.519 -0.451 1.981) 2.097 6.999 ( -3.640 0.734 -1.821) 4.136 7.662 ( 4.029 3.880 -3.608) 6.656 7.989 ( 4.187 0.042 -1.699) 4.518 8.803 ( 3.117 5.000 -2.052) 6.239 9.904 ( 0.291 1.380 -1.247) 1.882 10.254 ( 2.222 -3.190 0.134) 3.890 10.347 ( -1.992 2.352 -2.387) 3.899 10.916 ( 1.544 -3.048 4.072) 5.316 11.946 ( -8.558 -0.016 -1.180) 8.639 12.164 ( 4.145 -2.905 3.501) 6.154 16.177 ( 2.139 -1.001 -1.780) 2.957 16.635 ( -4.362 -0.122 3.094) 5.349 19.340 ( 1.161 -0.371 -0.464) 1.304 19.406 ( -7.882 -7.302 9.536) 14.366 19.722 ( -6.607 2.491 -1.609) 7.242 20.071 ( 13.654 5.639 -7.480) 16.558 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -11.419 3.796 1.777) 12.164 2.338 ( -7.964 -1.985 1.664) 8.374 2.757 ( -2.124 1.110 -2.434) 3.416 2.855 ( 3.309 -0.257 1.917) 3.833 3.014 ( 1.911 -2.932 -1.636) 3.863 3.156 ( 0.553 -2.616 3.405) 4.329 6.680 ( 2.019 1.873 -1.181) 2.997 6.734 ( 0.967 0.970 -1.659) 2.151 6.973 ( -1.332 2.440 1.464) 3.141 7.763 ( 4.585 6.218 -3.997) 8.698 8.048 ( 2.384 1.472 0.559) 2.857 8.848 ( -2.775 15.890 -13.407) 20.975 9.922 ( 1.201 1.633 -1.863) 2.753 10.258 ( 1.368 -1.524 -1.177) 2.362 10.316 ( -2.031 2.039 -0.917) 3.020 11.004 ( 8.806 -7.994 8.722) 14.749 11.777 ( -9.302 -2.103 0.262) 9.540 12.225 ( 4.928 -5.605 3.254) 8.142 16.139 ( -3.488 1.700 -5.413) 6.660 16.631 ( 0.966 -4.879 9.515) 10.736 19.253 ( -4.996 -7.807 4.867) 10.469 19.365 ( 0.558 1.138 -0.622) 1.412 19.600 ( -5.636 -4.069 -1.668) 7.149 20.319 ( 10.012 11.544 -5.014) 16.082 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -10.739 8.584 11.781) 18.105 2.146 ( -9.940 2.350 9.909) 14.231 2.577 ( 0.664 0.953 2.419) 2.683 2.877 ( -0.594 -1.087 3.274) 3.500 2.983 ( 1.848 0.997 5.885) 6.248 3.349 ( 3.722 -1.203 -4.483) 5.950 6.716 ( 1.825 2.301 0.910) 3.075 6.953 ( -2.158 -1.630 -1.654) 3.170 7.090 ( -3.070 -2.827 0.759) 4.241 7.849 ( 1.808 0.518 -2.781) 3.357 7.977 ( -1.456 -3.900 -3.066) 5.170 9.445 ( -4.595 -12.415 -8.270) 15.609 10.021 ( 0.818 -3.294 -1.579) 3.743 10.377 ( 0.228 0.291 -1.259) 1.312 10.459 ( 0.708 -9.728 -9.228) 13.427 10.988 ( 2.160 11.455 2.034) 11.833 11.537 ( 2.128 1.514 2.643) 3.715 11.874 ( 3.103 2.619 6.492) 7.657 16.095 ( -6.532 -3.840 4.263) 8.694 16.408 ( 2.340 8.619 1.651) 9.082 19.030 ( 0.481 5.384 1.937) 5.742 19.391 ( 0.846 -1.403 -0.276) 1.662 19.475 ( 0.178 -0.582 8.640) 8.661 20.785 ( 1.879 -5.132 -12.156) 13.328 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -10.026 7.758 11.181) 16.903 2.101 ( -5.640 0.827 17.027) 17.955 2.645 ( 2.442 5.384 -1.481) 6.095 2.858 ( -0.742 -2.202 1.641) 2.844 3.074 ( 2.183 1.273 5.923) 6.439 3.359 ( 2.621 -1.740 -4.851) 5.782 6.769 ( 2.011 0.905 -0.087) 2.207 6.890 ( -1.568 -2.205 -2.049) 3.394 6.996 ( -3.886 -5.657 2.214) 7.212 7.824 ( 0.376 -7.579 -0.591) 7.612 7.953 ( 2.174 2.371 -3.444) 4.712 9.063 ( -13.670 -26.258 -0.560) 29.608 9.966 ( -1.342 -3.719 -2.109) 4.481 10.300 ( -2.396 -5.404 -3.346) 6.793 10.399 ( 1.478 -0.929 -1.780) 2.494 11.174 ( 9.120 10.064 -6.291) 14.968 11.625 ( -1.669 5.638 5.796) 8.256 12.034 ( 7.124 6.738 2.032) 10.014 15.989 ( -5.090 -3.015 4.484) 7.423 16.576 ( 4.402 11.599 1.258) 12.470 19.134 ( 2.015 8.205 2.101) 8.706 19.378 ( 0.082 -1.391 -1.302) 1.907 19.495 ( -3.333 0.955 5.680) 6.654 20.664 ( 1.624 -11.822 -9.324) 15.143 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -5.932 6.265 11.026) 14.000 2.183 ( 0.226 -0.587 19.481) 19.491 2.716 ( 0.717 6.759 -4.443) 8.120 2.841 ( 0.105 -1.905 0.665) 2.020 3.143 ( 1.074 0.949 3.421) 3.709 3.342 ( 1.531 -2.388 -4.433) 5.263 6.773 ( 1.509 -6.531 -2.979) 7.335 6.843 ( -2.250 -1.564 2.186) 3.505 6.911 ( -0.713 -2.973 2.094) 3.706 7.749 ( 0.747 -7.484 -1.302) 7.633 7.999 ( 1.839 1.764 -3.074) 3.993 8.568 ( -13.447 -29.166 8.496) 33.221 9.892 ( -1.728 -3.155 -1.611) 3.941 10.216 ( -0.850 -3.430 -1.560) 3.863 10.408 ( 0.423 0.988 -1.159) 1.581 11.393 ( 11.368 7.743 -6.899) 15.388 11.639 ( -6.182 4.999 3.605) 8.729 12.223 ( 5.740 7.601 -1.412) 9.629 15.927 ( -2.743 -2.503 5.045) 6.264 16.775 ( 4.563 13.166 -1.705) 14.038 19.256 ( 1.553 7.145 0.839) 7.360 19.354 ( -0.786 -0.959 -0.971) 1.575 19.486 ( -2.567 3.360 4.568) 6.225 20.497 ( 0.091 -15.417 -6.219) 16.624 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.600 4.838 9.929) 11.061 2.315 ( 3.026 -3.404 17.905) 18.475 2.734 ( -2.599 6.901 -5.297) 9.079 2.825 ( 0.248 -2.310 -1.281) 2.653 3.172 ( 0.198 0.952 -0.215) 0.996 3.313 ( 0.703 -2.518 -2.989) 3.971 6.677 ( -0.627 -9.445 -1.506) 9.585 6.788 ( -3.148 -1.806 1.962) 4.126 6.966 ( 5.574 -0.790 3.219) 6.485 7.697 ( 1.757 -5.654 -1.564) 6.124 7.913 ( -7.573 -8.175 -2.379) 11.395 8.300 ( 1.332 -16.280 13.498) 21.190 9.839 ( -0.578 -2.266 0.093) 2.340 10.179 ( 0.361 -2.334 -0.457) 2.405 10.413 ( -0.651 1.802 -1.203) 2.262 11.540 ( -5.469 1.572 0.835) 5.752 11.627 ( 6.429 8.300 -5.885) 12.036 12.332 ( 1.244 5.962 -3.780) 7.168 15.913 ( 0.035 -2.509 5.207) 5.780 16.931 ( 1.308 12.507 -5.622) 13.775 19.317 ( 1.114 -0.001 -1.255) 1.678 19.332 ( 0.250 3.360 -2.151) 3.997 19.560 ( -0.190 5.583 9.505) 11.025 20.294 ( -2.275 -14.927 -5.203) 15.971 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 5.759 2.329 7.496) 9.735 2.430 ( 3.084 -5.249 14.305) 15.546 2.697 ( -5.025 5.231 -5.217) 8.934 2.792 ( 0.309 -1.473 -2.560) 2.970 3.164 ( -0.657 0.459 -3.579) 3.667 3.280 ( -0.272 -2.284 -1.209) 2.598 6.579 ( -1.169 -6.257 0.598) 6.393 6.742 ( -1.330 -1.431 1.273) 2.331 7.079 ( 4.838 -0.345 3.001) 5.704 7.669 ( -4.294 -2.561 1.651) 5.265 7.715 ( 3.446 -10.607 -1.755) 11.290 8.354 ( 7.188 -8.801 12.852) 17.155 9.836 ( 1.386 -0.946 1.575) 2.301 10.173 ( 1.217 -1.797 0.367) 2.201 10.404 ( -1.731 1.998 -1.051) 2.845 11.389 ( -12.266 3.515 -3.745) 13.298 11.799 ( 8.594 3.432 -2.692) 9.637 12.334 ( -3.035 3.616 -5.102) 6.951 15.945 ( 2.867 -2.741 4.997) 6.380 16.969 ( -4.099 9.238 -8.510) 13.213 19.307 ( 0.125 -0.812 0.142) 0.834 19.421 ( 7.651 4.120 -4.387) 9.735 19.662 ( -2.148 2.154 14.085) 14.410 20.078 ( -4.409 -9.403 -6.520) 12.263 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 8.689 -1.298 5.006) 10.112 2.492 ( 0.898 -3.940 8.509) 9.420 2.607 ( -5.143 1.140 -3.619) 6.391 2.787 ( 0.462 1.591 -2.226) 2.775 3.117 ( -1.473 -0.085 -5.641) 5.831 3.243 ( -1.134 -2.507 0.339) 2.772 6.532 ( -0.229 -1.891 1.014) 2.158 6.741 ( 0.342 0.589 2.494) 2.585 7.115 ( -1.380 -0.554 -0.152) 1.495 7.588 ( -0.526 -1.868 0.651) 2.047 7.772 ( 8.231 -2.662 -0.866) 8.694 8.518 ( 10.368 -5.784 14.441) 18.695 9.877 ( 2.057 0.425 1.748) 2.732 10.186 ( 1.588 -1.526 0.900) 2.379 10.385 ( -1.863 1.832 -0.608) 2.683 11.174 ( -13.023 3.471 -6.492) 14.960 11.936 ( 6.881 0.063 0.003) 6.881 12.243 ( -5.975 0.772 -5.550) 8.191 16.015 ( 4.974 -2.906 4.297) 7.187 16.878 ( -7.640 4.725 -8.464) 12.342 19.310 ( 0.503 -0.150 0.422) 0.674 19.587 ( 10.804 0.655 -4.423) 11.692 19.661 ( -4.308 -8.933 9.187) 13.519 19.941 ( -4.904 7.338 -1.520) 8.956 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 4.110 -7.745 0.861) 8.810 2.487 ( -6.061 4.874 0.497) 7.793 2.572 ( 5.824 -3.859 3.311) 7.731 2.803 ( 0.292 2.837 -1.277) 3.125 3.045 ( -2.630 0.073 -5.974) 6.527 3.201 ( -1.191 -3.222 1.738) 3.850 6.552 ( 2.131 2.237 -0.084) 3.091 6.781 ( -0.302 1.813 3.759) 4.184 7.050 ( -3.547 -0.391 -2.016) 4.098 7.619 ( 3.243 2.840 -0.743) 4.374 7.889 ( 6.895 0.484 -0.274) 6.917 8.755 ( 9.700 1.225 11.180) 14.852 9.916 ( 0.253 1.522 0.588) 1.651 10.205 ( 1.390 -0.971 1.090) 2.015 10.377 ( -0.808 1.856 -0.645) 2.124 10.970 ( -8.569 0.899 -4.494) 9.718 12.026 ( 3.215 -1.661 1.619) 3.964 12.092 ( -5.268 -3.494 -5.132) 8.142 16.098 ( 4.937 -2.407 2.381) 5.987 16.730 ( -6.827 0.400 -4.810) 8.361 19.320 ( 0.472 -0.674 0.090) 0.827 19.491 ( -6.245 -9.722 1.966) 11.721 19.670 ( 4.463 -6.467 -3.852) 8.751 20.061 ( 1.973 17.657 3.771) 18.163 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -2.452 -4.269 -0.942) 5.013 2.400 ( -5.906 -1.547 0.051) 6.105 2.719 ( 9.127 -1.333 3.574) 9.892 2.836 ( 0.345 3.363 -0.186) 3.386 2.958 ( -2.873 -0.525 -5.254) 6.011 3.165 ( -1.181 -2.970 2.797) 4.247 6.643 ( 4.670 5.559 -1.485) 7.411 6.774 ( -4.037 -0.128 1.649) 4.363 7.013 ( -0.385 1.671 0.133) 1.720 7.727 ( 4.666 6.414 -1.624) 8.096 8.000 ( 4.991 1.503 0.788) 5.271 8.962 ( 2.067 12.086 0.611) 12.276 9.929 ( -0.418 1.927 -0.060) 1.972 10.227 ( 0.756 0.421 1.053) 1.363 10.372 ( -1.920 3.202 -2.425) 4.452 10.882 ( 1.572 -5.124 2.410) 5.877 11.895 ( -8.402 -3.062 -2.500) 9.285 12.085 ( 5.280 -7.465 1.286) 9.233 16.144 ( 1.241 -0.334 -1.075) 1.676 16.628 ( -1.634 -3.768 1.482) 4.366 19.254 ( -3.173 -7.870 -2.178) 8.761 19.384 ( -1.162 0.510 0.329) 1.311 19.596 ( -2.593 -9.161 1.406) 9.625 20.318 ( 5.569 17.715 0.084) 18.570 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -3.782 2.053 8.828) 9.821 2.386 ( -7.176 9.463 1.977) 12.040 2.583 ( 0.069 -0.477 2.874) 2.914 2.878 ( -0.611 -3.785 2.495) 4.574 2.976 ( 1.941 -1.531 3.698) 4.448 3.242 ( 4.347 -1.778 -3.547) 5.885 6.709 ( 1.307 1.643 -0.450) 2.147 6.937 ( -0.769 -2.501 -3.522) 4.387 7.124 ( -3.161 -1.840 -0.649) 3.715 7.803 ( 0.351 -1.136 -4.849) 4.993 7.936 ( -0.708 -1.979 -5.871) 6.236 9.355 ( -2.592 -4.522 -15.034) 15.912 9.974 ( 1.118 -0.695 -1.653) 2.114 10.278 ( 3.129 -4.153 -5.282) 7.412 10.414 ( -2.950 -1.079 -1.971) 3.708 11.074 ( -2.899 -1.686 4.753) 5.817 11.538 ( 5.516 8.836 4.359) 11.292 11.903 ( 0.450 -0.909 9.548) 9.602 16.177 ( -4.874 -3.978 1.401) 6.445 16.449 ( 2.848 6.482 3.289) 7.807 19.100 ( 0.039 5.190 4.049) 6.583 19.359 ( 1.551 -1.912 1.451) 2.858 19.497 ( 3.013 -0.854 9.644) 10.139 20.659 ( -2.319 -3.040 -15.580) 16.042 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -6.728 4.491 10.081) 12.925 2.329 ( -9.727 5.303 7.219) 13.223 2.628 ( 3.067 3.806 -1.994) 5.279 2.847 ( 0.082 -4.329 1.621) 4.624 3.038 ( 4.614 -2.614 2.913) 6.050 3.270 ( 2.950 -0.954 -2.996) 4.312 6.720 ( 1.187 -2.101 -3.706) 4.423 6.885 ( -1.192 0.002 -2.873) 3.110 7.028 ( -4.041 -4.852 1.595) 6.513 7.736 ( -0.133 -7.441 -2.182) 7.755 7.920 ( 1.744 3.322 -5.113) 6.342 9.070 ( -12.026 -15.641 -4.271) 20.187 9.947 ( -1.232 -2.179 -1.469) 2.902 10.254 ( 0.667 -3.979 -2.372) 4.680 10.366 ( -0.050 0.139 -1.250) 1.258 11.086 ( 4.919 2.870 -4.363) 7.174 11.741 ( 0.817 9.157 6.165) 11.069 11.995 ( 5.478 2.182 5.339) 7.954 16.076 ( -5.086 -2.646 3.414) 6.673 16.600 ( 4.887 8.285 1.021) 9.673 19.212 ( 1.672 8.362 4.989) 9.880 19.354 ( 0.366 -1.308 -0.797) 1.575 19.575 ( -0.809 -0.945 9.083) 9.167 20.475 ( -0.813 -8.742 -14.711) 17.132 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -9.274 4.878 6.561) 12.364 2.313 ( -3.853 -0.159 13.918) 14.442 2.712 ( 3.599 6.547 -6.020) 9.594 2.827 ( 0.294 -2.861 2.122) 3.574 3.095 ( 4.425 -4.106 0.850) 6.096 3.281 ( 1.074 -0.178 -2.236) 2.487 6.664 ( 0.715 -6.440 -3.879) 7.551 6.864 ( -0.274 1.616 -2.410) 2.915 6.930 ( -3.819 -5.099 3.433) 7.237 7.654 ( 0.396 -6.939 -1.607) 7.133 7.966 ( 2.488 2.945 -2.853) 4.796 8.646 ( -17.044 -20.348 7.267) 27.520 9.888 ( -1.913 -2.056 -1.216) 3.060 10.203 ( -1.502 -2.492 -0.076) 2.911 10.385 ( 2.087 0.354 -1.044) 2.361 11.228 ( 10.591 6.523 -8.443) 15.034 11.795 ( -4.482 3.305 4.931) 7.438 12.178 ( 7.252 6.126 0.820) 9.528 16.000 ( -4.480 -2.278 5.141) 7.189 16.778 ( 6.368 9.899 -3.151) 12.185 19.314 ( -0.557 1.568 0.483) 1.733 19.389 ( 0.551 7.552 4.544) 8.831 19.568 ( -2.899 -1.228 5.841) 6.636 20.292 ( 1.220 -12.310 -11.489) 16.883 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -4.703 2.654 5.589) 7.772 2.343 ( -0.027 -5.483 13.356) 14.437 2.782 ( 0.632 7.251 -7.145) 10.199 2.823 ( -0.298 -0.104 2.409) 2.430 3.115 ( 3.394 -4.914 -1.139) 6.080 3.279 ( 0.037 0.447 -1.778) 1.833 6.595 ( 0.372 -5.995 -0.490) 6.026 6.844 ( -3.997 -3.596 3.174) 6.244 6.886 ( 3.587 -0.459 0.116) 3.619 7.597 ( 1.016 -5.568 -1.208) 5.787 7.973 ( -4.265 -1.376 -1.666) 4.781 8.296 ( -8.471 -15.134 14.667) 22.714 9.839 ( -1.342 -1.444 0.278) 1.991 10.165 ( -0.854 -1.497 0.577) 1.818 10.415 ( 1.327 1.008 -0.932) 1.909 11.426 ( 11.406 5.483 -7.288) 14.604 11.743 ( -6.832 2.420 0.727) 7.284 12.323 ( 3.693 5.288 -2.579) 6.946 15.950 ( -2.898 -2.470 5.859) 6.988 16.942 ( 5.201 9.898 -7.841) 13.656 19.306 ( -0.256 -0.396 -0.128) 0.489 19.408 ( -6.327 5.478 -1.635) 8.527 19.637 ( 3.480 0.436 12.916) 13.383 20.134 ( 1.047 -10.345 -9.304) 13.953 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.926 -1.006 4.306) 4.518 2.373 ( 3.435 -10.249 10.818) 15.293 2.755 ( -3.176 1.273 -3.709) 5.046 2.861 ( -2.192 8.700 -0.480) 8.985 3.104 ( 2.322 -4.481 -2.912) 5.827 3.266 ( -0.473 -0.076 -2.139) 2.192 6.565 ( -0.439 -2.162 3.385) 4.041 6.773 ( -2.753 -2.275 2.482) 4.349 6.981 ( 7.256 -1.707 3.165) 8.098 7.567 ( 2.139 -5.168 0.072) 5.594 7.783 ( -10.064 -5.835 3.677) 12.201 8.278 ( 3.613 -5.615 12.815) 14.451 9.827 ( 0.251 -0.407 1.975) 2.032 10.153 ( 0.169 -0.721 0.840) 1.120 10.433 ( -0.090 1.531 -0.788) 1.724 11.551 ( -2.856 -0.256 -0.730) 2.959 11.678 ( 3.203 5.578 -7.832) 10.135 12.364 ( -0.742 3.379 -5.159) 6.212 15.933 ( -0.460 -2.789 5.816) 6.466 17.016 ( 0.584 7.270 -11.529) 13.642 19.304 ( 0.153 -0.053 0.520) 0.545 19.363 ( -0.659 3.082 -3.849) 4.975 19.744 ( 0.842 -8.200 13.935) 16.191 20.036 ( -0.275 2.076 -6.153) 6.500 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 5.569 -5.946 2.248) 8.451 2.393 ( 5.329 -12.827 7.432) 15.753 2.680 ( -4.401 1.322 -2.603) 5.281 2.897 ( -4.723 10.044 0.682) 11.120 3.074 ( 1.182 -2.296 -4.517) 5.204 3.231 ( -0.703 -1.684 -2.617) 3.190 6.565 ( -2.102 0.590 4.506) 5.007 6.762 ( 0.457 0.974 3.046) 3.231 7.092 ( 4.055 -1.702 2.268) 4.948 7.567 ( 1.805 -4.638 2.989) 5.805 7.673 ( -0.073 -0.043 2.468) 2.470 8.416 ( 7.612 -3.847 15.878) 18.024 9.863 ( 1.806 0.798 2.705) 3.349 10.165 ( 0.871 -0.024 1.045) 1.361 10.431 ( -1.493 1.774 -0.349) 2.345 11.376 ( -12.421 1.262 -5.701) 13.725 11.797 ( 8.317 0.878 -4.528) 9.510 12.303 ( -4.623 1.290 -6.571) 8.137 15.956 ( 2.241 -3.017 5.370) 6.555 16.952 ( -4.483 2.896 -12.493) 13.585 19.312 ( -0.048 0.244 1.045) 1.074 19.400 ( 5.627 0.431 -5.962) 8.209 19.671 ( -2.353 -12.197 5.086) 13.423 20.102 ( -1.094 11.401 5.015) 12.503 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 7.370 -11.206 -1.148) 13.461 2.417 ( 7.452 -11.511 5.488) 14.770 2.608 ( -4.547 2.272 -2.070) 5.488 2.891 ( -4.838 4.637 0.520) 6.721 3.050 ( -0.768 1.322 -3.813) 4.108 3.190 ( -0.380 -0.859 -2.005) 2.214 6.572 ( -0.762 2.419 2.305) 3.427 6.827 ( 1.141 2.725 4.315) 5.230 7.082 ( -2.669 -1.840 -1.153) 3.441 7.603 ( 2.422 2.384 2.795) 4.400 7.780 ( 7.446 1.548 2.371) 7.966 8.670 ( 11.585 -0.045 18.805) 22.087 9.922 ( 1.567 1.507 2.153) 3.060 10.195 ( 1.297 1.228 1.328) 2.226 10.417 ( -2.028 1.780 0.273) 2.712 11.127 ( -12.807 1.632 -8.763) 15.604 11.885 ( 6.636 -4.395 -2.662) 8.393 12.165 ( -7.091 -0.108 -5.817) 9.172 16.014 ( 4.233 -2.939 4.578) 6.893 16.791 ( -6.163 -1.093 -10.380) 12.122 19.305 ( -0.547 -2.582 -1.685) 3.131 19.415 ( 2.136 -3.710 -6.299) 7.616 19.588 ( 0.441 -6.263 4.907) 7.969 20.250 ( -0.659 14.542 6.790) 16.062 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 6.495 -12.462 -2.987) 14.366 2.458 ( 2.492 -7.114 0.304) 7.543 2.579 ( 2.854 0.232 1.615) 3.287 2.856 ( -1.363 0.195 -0.488) 1.461 2.997 ( -2.988 -2.291 -2.212) 4.367 3.190 ( -1.284 4.538 -0.252) 4.723 6.626 ( 2.454 4.497 -0.487) 5.146 6.860 ( -3.311 0.452 3.485) 4.829 7.019 ( -0.448 -0.031 -2.186) 2.232 7.719 ( 3.769 6.718 1.632) 7.874 7.930 ( 6.323 1.845 2.314) 6.981 9.002 ( 9.456 7.755 13.915) 18.525 9.957 ( -0.365 1.526 0.868) 1.793 10.255 ( 1.140 4.661 2.035) 5.212 10.407 ( -1.308 1.678 0.114) 2.131 10.896 ( -8.144 -0.894 -7.435) 11.063 11.870 ( 1.905 -10.152 -5.244) 11.584 12.035 ( -4.618 -0.374 0.351) 4.646 16.089 ( 4.207 -2.079 3.215) 5.688 16.625 ( -3.720 -3.885 -6.185) 8.197 19.196 ( -2.253 -6.973 -6.221) 9.612 19.398 ( 0.171 0.972 -0.673) 1.194 19.560 ( -0.849 -8.402 5.444) 10.047 20.443 ( 1.551 16.753 2.892) 17.071 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 6.361 -1.238 1.574) 6.668 2.507 ( 2.735 1.622 -0.557) 3.229 2.573 ( 4.339 0.107 4.219) 6.053 2.931 ( -3.311 -1.558 2.780) 4.596 2.970 ( -6.253 0.497 0.666) 6.308 3.121 ( 5.695 -3.004 -0.911) 6.503 6.700 ( -0.002 -0.422 -1.029) 1.112 6.897 ( 0.616 -0.849 -3.500) 3.654 7.142 ( -1.795 -2.151 -1.278) 3.080 7.762 ( -1.607 -1.069 -7.008) 7.269 7.891 ( 0.239 0.564 -7.496) 7.521 9.242 ( 0.265 2.734 -23.287) 23.449 9.957 ( -0.336 0.955 -1.503) 1.812 10.199 ( 0.494 -1.412 -1.437) 2.074 10.450 ( -2.896 0.397 -1.618) 3.342 11.098 ( -3.848 -12.585 8.032) 15.418 11.576 ( 6.440 11.455 5.711) 14.328 11.972 ( -2.712 -1.084 10.229) 10.638 16.179 ( -0.151 -2.282 -4.504) 5.051 16.492 ( 1.622 1.817 8.790) 9.122 19.157 ( 1.000 0.822 5.306) 5.461 19.330 ( 1.992 0.049 3.298) 3.853 19.495 ( 3.586 1.532 6.613) 7.677 20.612 ( -6.420 -1.394 -15.200) 16.558 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 3.456 0.381 6.359) 7.248 2.538 ( -1.212 5.546 -3.239) 6.536 2.658 ( -1.843 2.846 4.238) 5.428 2.791 ( -3.578 -4.699 -1.856) 6.191 2.949 ( 2.407 -3.592 1.453) 4.561 3.200 ( 4.362 -0.508 0.953) 4.494 6.658 ( -0.448 -3.202 -4.528) 5.564 6.891 ( -0.351 2.432 -3.268) 4.089 7.052 ( -3.487 -5.396 1.311) 6.557 7.672 ( -1.520 -4.025 -3.822) 5.755 7.893 ( 1.747 4.502 -6.269) 7.913 9.079 ( -6.201 -4.104 -12.078) 14.184 9.945 ( -0.987 -0.322 -1.260) 1.632 10.198 ( 1.233 -0.942 -0.071) 1.553 10.386 ( -3.008 -0.429 -1.164) 3.254 11.009 ( 1.381 -5.105 0.808) 5.350 11.834 ( 5.659 11.292 4.619) 13.449 11.978 ( -0.286 -3.022 7.972) 8.531 16.131 ( -1.898 -1.182 -0.357) 2.264 16.598 ( 3.480 3.133 4.274) 6.340 19.260 ( 4.709 1.954 7.209) 8.829 19.342 ( -0.682 0.493 -0.485) 0.971 19.625 ( 2.468 2.165 8.425) 9.042 20.365 ( -6.882 -5.327 -16.030) 18.240 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -4.884 -0.861 5.870) 7.684 2.515 ( -9.921 5.409 4.353) 12.110 2.639 ( 4.893 1.122 -5.560) 7.491 2.786 ( 3.541 -1.648 0.629) 3.956 2.977 ( 3.819 -4.149 1.360) 5.801 3.257 ( 2.031 0.279 0.279) 2.069 6.587 ( -0.397 -3.649 -3.560) 5.113 6.865 ( -1.495 0.942 -5.024) 5.325 6.969 ( -2.930 -3.823 3.870) 6.179 7.599 ( -1.038 -3.102 -1.369) 3.546 7.940 ( 2.324 4.122 -3.415) 5.835 8.798 ( -14.534 -10.576 1.967) 18.083 9.901 ( -2.190 -0.978 -0.912) 2.566 10.207 ( -0.183 -1.211 1.528) 1.959 10.351 ( 0.447 -0.102 -1.179) 1.265 11.065 ( 8.332 2.817 -6.462) 10.914 11.916 ( -3.986 0.462 4.949) 6.371 12.111 ( 8.345 4.856 2.458) 9.963 16.083 ( -3.676 -1.445 3.670) 5.391 16.725 ( 6.068 5.100 -2.174) 8.219 19.325 ( -0.556 -0.297 -0.473) 0.788 19.435 ( 6.645 1.035 10.824) 12.743 19.695 ( -4.716 5.974 5.012) 9.113 20.102 ( -3.032 -9.101 -15.576) 18.293 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -6.644 -1.660 1.499) 7.010 2.409 ( -6.618 -4.679 7.139) 10.801 2.756 ( 6.229 6.936 -6.598) 11.421 2.830 ( 1.364 -0.193 3.155) 3.442 3.003 ( 3.177 -4.068 0.912) 5.242 3.276 ( 0.292 0.351 -1.147) 1.235 6.549 ( 0.506 -1.662 0.664) 1.860 6.821 ( 0.349 -2.941 -1.235) 3.208 6.915 ( -3.363 -0.362 1.591) 3.737 7.558 ( -0.948 -1.594 0.351) 1.887 7.991 ( 0.840 2.553 -1.681) 3.169 8.463 ( -15.790 -12.240 12.669) 23.657 9.857 ( -1.712 -0.465 0.246) 1.791 10.186 ( -1.942 -0.957 2.082) 3.004 10.377 ( 2.869 0.201 -1.104) 3.080 11.232 ( 11.782 5.762 -9.189) 16.014 11.856 ( -5.038 -1.719 2.302) 5.800 12.282 ( 5.529 4.753 -1.399) 7.424 16.028 ( -4.299 -2.286 5.933) 7.675 16.860 ( 7.088 6.009 -8.355) 12.496 19.313 ( -0.609 0.149 0.313) 0.701 19.588 ( 0.202 -5.520 6.891) 8.831 19.639 ( -6.269 5.825 4.030) 9.459 19.958 ( 4.332 -3.399 -9.302) 10.810 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -3.210 -4.012 0.488) 5.161 2.302 ( -2.125 -11.365 6.959) 13.494 2.800 ( -1.798 3.052 -4.108) 5.424 2.921 ( 4.701 3.114 1.355) 5.799 3.020 ( 1.098 -0.027 0.232) 1.122 3.256 ( -0.791 -0.903 -3.222) 3.438 6.587 ( 1.270 2.122 5.061) 5.633 6.798 ( -0.417 -4.507 3.113) 5.493 6.894 ( 1.583 0.341 0.399) 1.668 7.540 ( -1.023 -0.207 2.216) 2.449 7.926 ( -8.981 -3.012 1.816) 9.645 8.300 ( -2.828 -5.483 15.716) 16.884 9.844 ( -0.642 0.339 2.117) 2.238 10.165 ( -1.138 -0.103 1.637) 1.996 10.420 ( 2.280 0.616 -0.778) 2.487 11.425 ( 11.191 4.311 -7.574) 14.184 11.742 ( -6.656 -1.577 -2.209) 7.188 12.361 ( 1.419 3.580 -4.755) 6.119 15.977 ( -3.247 -2.947 6.535) 7.870 16.947 ( 4.686 4.376 -12.946) 14.447 19.312 ( -0.337 0.585 0.986) 1.195 19.448 ( -8.328 2.623 -4.033) 9.618 19.649 ( 3.537 -13.260 3.487) 14.159 20.054 ( 3.990 8.482 3.975) 10.182 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.165 -8.400 0.514) 8.418 2.215 ( 2.945 -15.861 5.795) 17.141 2.750 ( -3.790 1.414 -2.530) 4.771 2.985 ( 3.077 -3.937 -1.644) 5.261 3.071 ( -2.428 10.715 1.269) 11.060 3.194 ( -0.341 -2.699 -5.570) 6.199 6.655 ( -2.148 2.999 5.470) 6.598 6.777 ( 0.439 -0.558 2.823) 2.911 6.986 ( 7.559 -2.199 3.822) 8.751 7.556 ( -0.323 1.956 4.629) 5.035 7.758 ( -7.649 -2.514 4.372) 9.161 8.395 ( 4.232 -1.524 17.438) 18.009 9.871 ( 0.777 1.472 3.229) 3.633 10.168 ( 0.008 0.844 1.211) 1.476 10.451 ( 0.795 1.081 -0.209) 1.358 11.513 ( -5.392 -1.835 -2.384) 6.174 11.637 ( 5.088 1.855 -9.652) 11.068 12.340 ( -2.764 2.407 -7.001) 7.902 15.952 ( -0.934 -3.252 6.344) 7.190 16.919 ( -0.219 0.506 -14.870) 14.880 19.325 ( 0.415 0.975 0.743) 1.294 19.349 ( -2.975 0.899 -4.235) 5.253 19.577 ( 1.737 -10.306 -1.136) 10.513 20.244 ( 2.112 9.737 10.094) 14.183 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 3.290 -13.727 0.011) 14.116 2.184 ( 7.814 -16.171 5.090) 18.667 2.677 ( -4.000 0.985 -3.285) 5.269 2.960 ( -1.055 -1.978 -2.291) 3.205 3.041 ( -2.252 -4.944 -3.301) 6.357 3.215 ( 0.127 9.592 -1.386) 9.693 6.643 ( -3.204 1.279 3.024) 4.588 6.836 ( 2.667 1.491 1.978) 3.640 7.076 ( 1.763 -3.086 2.577) 4.390 7.631 ( 1.130 5.016 5.876) 7.808 7.730 ( 2.093 1.269 4.293) 4.942 8.634 ( 9.082 2.017 22.828) 24.651 9.931 ( 1.404 2.402 3.054) 4.132 10.198 ( 1.115 1.990 1.059) 2.515 10.466 ( -0.807 1.627 0.829) 1.996 11.289 ( -12.254 -0.697 -9.034) 15.240 11.708 ( 6.678 -3.126 -5.935) 9.465 12.240 ( -5.630 1.638 -6.769) 8.956 15.967 ( 1.759 -3.254 5.962) 7.016 16.775 ( -3.697 -3.370 -13.728) 14.610 19.267 ( -2.531 -3.186 -5.734) 7.031 19.358 ( 1.745 1.110 -0.165) 2.075 19.528 ( 2.123 -5.338 0.065) 5.746 20.430 ( 0.504 11.064 10.118) 15.001 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 6.615 -15.389 -1.344) 16.804 2.224 ( 10.763 -14.956 4.957) 19.082 2.599 ( -2.605 0.089 -4.844) 5.501 2.877 ( -3.102 -2.839 -2.677) 4.985 2.951 ( 0.336 -6.565 -2.212) 6.936 3.294 ( -1.800 9.819 -0.211) 9.985 6.641 ( -0.256 2.288 0.427) 2.341 6.894 ( 1.874 -0.366 1.376) 2.354 7.028 ( -3.284 -2.140 -0.707) 3.983 7.752 ( 2.264 6.520 4.194) 8.076 7.858 ( 6.446 1.759 3.957) 7.765 9.010 ( 11.307 7.541 22.841) 26.578 9.986 ( -0.016 2.455 1.869) 3.085 10.270 ( 3.349 4.303 1.564) 5.673 10.471 ( -2.102 2.730 2.541) 4.281 11.007 ( -12.222 0.165 -13.218) 18.003 11.694 ( 2.862 -9.053 -5.605) 11.025 12.125 ( -5.640 1.302 -2.273) 6.219 16.022 ( 3.848 -2.937 5.626) 7.422 16.588 ( -3.484 -5.497 -10.603) 12.441 19.140 ( -2.989 -4.309 -6.614) 8.440 19.394 ( 1.291 0.809 0.137) 1.530 19.519 ( 1.008 -5.549 2.697) 6.251 20.604 ( 0.153 13.147 5.789) 14.366 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 12.536 -4.641 -2.184) 13.545 2.287 ( 16.730 -1.489 -5.117) 17.558 2.581 ( -0.308 -3.015 6.310) 7.000 2.918 ( 0.818 -2.467 1.932) 3.238 2.978 ( 7.986 -3.621 2.801) 9.205 3.200 ( -11.567 4.870 0.318) 12.554 6.687 ( -1.109 -2.540 -1.180) 3.012 6.862 ( 1.948 1.459 -1.508) 2.863 7.118 ( 0.873 -2.719 -1.800) 3.376 7.759 ( -3.684 1.311 -7.288) 8.271 7.846 ( 0.929 2.213 -7.329) 7.711 9.126 ( -0.341 8.174 -27.409) 28.604 9.982 ( -2.357 1.650 -2.145) 3.589 10.207 ( -1.137 2.011 0.087) 2.312 10.493 ( -2.562 1.312 -2.159) 3.598 11.089 ( -3.804 -14.531 11.816) 19.111 11.589 ( 6.513 5.465 6.153) 10.495 12.095 ( -4.825 -0.122 8.287) 9.590 16.096 ( 3.056 -0.931 -7.334) 8.000 16.525 ( 2.428 -2.603 11.955) 12.474 19.149 ( 1.140 -4.444 5.920) 7.489 19.340 ( 1.746 3.247 2.996) 4.750 19.490 ( 3.186 2.522 2.768) 4.917 20.650 ( -8.452 1.276 -12.111) 14.824 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 12.582 -1.532 0.845) 12.703 2.510 ( 13.231 0.435 -3.774) 13.766 2.566 ( -1.743 -2.341 2.349) 3.747 2.900 ( -0.936 -3.452 0.086) 3.577 2.995 ( -8.249 1.233 1.082) 8.411 3.135 ( 2.052 1.143 3.560) 4.265 6.625 ( -1.662 -1.943 -3.146) 4.054 6.898 ( 0.450 2.902 -2.489) 3.849 7.054 ( -2.116 -5.679 1.127) 6.164 7.673 ( -3.482 1.554 -4.717) 6.065 7.869 ( 2.035 5.613 -6.416) 8.764 9.044 ( -0.936 6.093 -19.468) 20.421 9.958 ( -1.157 0.968 -1.373) 2.040 10.207 ( -1.389 1.975 0.316) 2.435 10.431 ( -3.519 -0.535 -1.332) 3.801 10.967 ( -2.569 -10.217 7.551) 12.962 11.804 ( 9.114 3.733 5.473) 11.267 12.054 ( -4.335 -1.568 5.725) 7.350 16.106 ( 2.496 0.771 -4.668) 5.349 16.602 ( 1.865 -2.339 8.897) 9.386 19.203 ( 4.925 -3.855 6.872) 9.292 19.369 ( -0.744 1.740 0.101) 1.895 19.617 ( 5.683 2.342 2.275) 6.554 20.417 ( -11.773 0.695 -10.496) 15.787 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 6.291 -1.500 4.294) 7.764 2.515 ( 1.068 -3.813 -2.186) 4.523 2.673 ( 6.192 2.951 -5.610) 8.861 2.783 ( -9.080 2.817 0.564) 9.524 2.937 ( -0.811 -2.035 4.995) 5.454 3.209 ( 3.685 -0.861 0.884) 3.886 6.570 ( -1.691 0.333 -1.986) 2.630 6.867 ( -2.287 -0.848 -4.832) 5.412 7.000 ( -1.477 -2.003 3.125) 3.995 7.620 ( -2.896 2.399 -1.089) 3.915 7.926 ( 2.072 5.380 -3.769) 6.888 8.928 ( -7.928 0.923 -6.439) 10.255 9.929 ( -2.169 -0.040 -0.738) 2.291 10.208 ( -0.078 0.651 1.054) 1.241 10.366 ( -2.784 -0.611 -0.126) 2.853 10.935 ( 4.033 -2.554 -0.793) 4.839 11.982 ( -0.397 -5.708 5.684) 8.065 12.033 ( 6.109 5.319 1.214) 8.191 16.122 ( 0.156 0.543 -0.128) 0.579 16.664 ( 3.414 -0.632 2.088) 4.052 19.298 ( 4.556 -3.323 4.211) 7.038 19.387 ( 2.076 -1.401 4.835) 5.445 19.732 ( 6.535 0.681 -2.825) 7.151 20.151 ( -15.082 3.332 -6.891) 16.913 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -6.528 -5.476 1.022) 8.581 2.497 ( -2.428 -5.900 -2.362) 6.803 2.687 ( 1.788 6.338 -0.027) 6.586 2.812 ( 3.078 2.790 -0.337) 4.168 2.956 ( 1.756 -1.609 4.153) 4.788 3.244 ( 2.098 -1.469 -1.793) 3.126 6.561 ( -0.636 2.910 1.210) 3.215 6.790 ( -1.234 -2.966 -2.147) 3.864 6.973 ( -2.624 0.241 0.665) 2.718 7.606 ( -2.722 3.563 1.984) 4.903 7.989 ( 1.753 4.150 -1.565) 4.769 8.714 ( -15.275 -4.135 7.231) 17.399 9.889 ( -1.986 0.346 0.158) 2.023 10.225 ( -0.619 -0.194 2.814) 2.888 10.332 ( 0.346 -0.476 -0.902) 1.077 11.037 ( 10.164 3.556 -7.629) 13.197 11.907 ( -3.427 -5.579 2.505) 7.010 12.208 ( 7.379 3.462 -0.842) 8.194 16.109 ( -3.032 -1.353 4.434) 5.540 16.735 ( 6.005 1.462 -6.166) 8.730 19.327 ( 0.115 0.407 0.686) 0.806 19.457 ( 6.193 -9.637 6.047) 12.954 19.765 ( 0.810 -6.639 -9.245) 11.411 19.975 ( -9.123 14.531 3.719) 17.555 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -5.571 -7.499 -1.631) 9.483 2.327 ( -7.633 -9.197 2.351) 12.181 2.780 ( 3.411 0.345 -2.270) 4.112 2.869 ( 1.846 0.840 0.671) 2.136 3.032 ( 3.218 4.634 2.535) 6.184 3.224 ( 0.095 -2.569 -4.224) 4.945 6.625 ( 1.652 4.592 4.911) 6.924 6.753 ( 1.002 -3.222 0.389) 3.396 6.927 ( -3.075 0.438 -0.483) 3.144 7.619 ( -2.939 4.839 4.485) 7.223 8.016 ( -2.421 1.367 -0.672) 2.861 8.496 ( -12.945 -3.629 17.424) 22.008 9.879 ( -0.990 1.205 2.088) 2.606 10.210 ( -2.483 0.086 2.800) 3.743 10.363 ( 3.787 -0.150 -1.292) 4.005 11.219 ( 12.247 5.233 -9.586) 16.409 11.792 ( -4.597 -6.037 -0.451) 7.601 12.321 ( 4.055 3.102 -4.205) 6.614 16.058 ( -4.438 -2.982 6.598) 8.493 16.798 ( 6.227 1.379 -12.233) 13.796 19.336 ( -0.655 1.079 1.138) 1.700 19.455 ( 4.937 -11.198 -3.101) 12.625 19.586 ( -8.390 -1.554 -3.865) 9.367 20.124 ( 2.831 11.407 9.230) 14.944 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -2.146 -10.247 -1.983) 10.655 2.115 ( -5.699 -15.499 5.295) 17.341 2.776 ( -0.481 -0.977 -3.741) 3.897 2.899 ( 1.955 -1.939 0.144) 2.757 3.114 ( 0.969 -4.594 -6.994) 8.424 3.191 ( 0.237 8.262 1.561) 8.412 6.739 ( 0.652 4.198 4.926) 6.504 6.759 ( 2.019 -2.926 2.163) 4.162 6.900 ( 1.729 -0.584 1.154) 2.159 7.661 ( -2.449 6.059 6.263) 9.052 7.908 ( -9.043 -1.661 2.411) 9.505 8.493 ( -2.015 1.935 22.104) 22.280 9.905 ( -0.043 2.153 3.766) 4.338 10.198 ( -1.244 1.335 1.416) 2.310 10.420 ( 3.432 0.234 -0.405) 3.464 11.402 ( 10.686 3.430 -7.870) 13.708 11.626 ( -6.510 -5.762 -4.860) 9.960 12.347 ( -0.119 3.036 -7.081) 7.706 16.000 ( -3.468 -3.643 6.940) 8.571 16.792 ( 3.051 -1.434 -15.072) 15.445 19.328 ( 0.045 -1.076 -2.218) 2.465 19.416 ( -0.159 -0.825 -3.701) 3.795 19.433 ( -3.049 -4.754 -2.344) 6.115 20.353 ( 3.808 8.973 12.777) 16.071 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -1.362 -14.300 0.128) 14.365 1.947 ( 2.617 -19.250 6.121) 20.369 2.705 ( -2.614 -1.986 -6.348) 7.146 2.901 ( 1.672 -3.519 -1.019) 4.027 2.982 ( -1.912 -7.345 -6.942) 10.286 3.313 ( 0.681 10.227 0.918) 10.290 6.729 ( -3.977 -0.294 2.480) 4.696 6.798 ( 2.856 -0.359 -0.466) 2.915 6.999 ( 5.994 -2.575 5.151) 8.312 7.732 ( -0.789 5.983 5.697) 8.299 7.791 ( -5.214 0.238 4.474) 6.874 8.715 ( 4.489 6.751 26.803) 28.003 9.963 ( 0.716 3.253 4.043) 5.238 10.214 ( 0.186 2.644 0.476) 2.693 10.474 ( 2.144 1.074 1.065) 2.624 11.391 ( -9.413 -4.946 -8.009) 13.313 11.532 ( 7.350 -0.182 -7.571) 10.553 12.294 ( -3.545 3.052 -7.959) 9.232 15.969 ( -1.057 -3.670 6.818) 7.815 16.680 ( -0.925 -5.027 -14.781) 15.640 19.282 ( -5.916 -1.433 -5.338) 8.096 19.321 ( 2.935 -1.106 -3.668) 4.827 19.441 ( 2.634 -1.178 -0.278) 2.899 20.573 ( 2.382 8.547 12.876) 15.637 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.772 -17.689 2.377) 17.936 1.914 ( 10.225 -18.956 6.160) 22.402 2.567 ( -2.072 -6.843 -10.290) 12.530 2.832 ( -1.225 -6.748 -3.253) 7.591 2.902 ( 0.101 -1.381 -1.515) 2.053 3.408 ( -0.801 8.705 0.116) 8.742 6.679 ( -2.463 0.045 0.391) 2.494 6.837 ( 3.244 -1.552 -0.649) 3.654 7.041 ( -0.243 -3.903 2.742) 4.777 7.813 ( 1.160 2.503 5.474) 6.130 7.815 ( 2.396 3.274 3.282) 5.219 9.089 ( 8.208 10.256 27.270) 30.269 10.032 ( 0.136 3.929 3.187) 5.061 10.266 ( 2.260 4.005 0.321) 4.609 10.533 ( 0.977 3.299 3.794) 5.121 11.104 ( -11.112 -3.200 -14.690) 18.696 11.547 ( 2.039 -5.173 -5.494) 7.816 12.209 ( -4.458 2.929 -4.688) 7.101 15.984 ( 1.698 -3.454 6.892) 7.894 16.501 ( -2.294 -7.106 -12.216) 14.317 19.137 ( -4.957 -1.636 -6.063) 8.000 19.352 ( 3.613 -1.059 -2.242) 4.382 19.469 ( 1.579 -1.220 0.668) 2.104 20.755 ( 0.527 9.564 8.911) 13.083 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 0.000 20.115) 20.115 1.357 ( -0.000 0.000 20.115) 20.115 2.214 ( -0.000 0.000 31.892) 31.892 2.815 ( 0.000 0.000 -0.246) 0.246 2.815 ( 0.000 -0.000 -0.246) 0.246 3.549 ( 0.000 -0.000 -3.916) 3.916 6.698 ( -0.000 0.000 5.124) 5.124 6.698 ( -0.000 0.000 5.124) 5.124 7.232 ( -0.000 0.000 2.714) 2.714 7.953 ( -0.000 0.000 2.843) 2.843 7.953 ( -0.000 0.000 2.843) 2.843 10.035 ( 0.000 -0.000 -8.816) 8.816 10.349 ( 0.000 -0.000 -0.789) 0.789 10.349 ( 0.000 -0.000 -0.789) 0.789 11.095 ( 0.000 -0.000 -7.057) 7.057 11.095 ( 0.000 -0.000 -7.057) 7.057 11.302 ( -0.000 0.000 2.088) 2.088 11.430 ( -0.000 0.000 0.247) 0.247 16.013 ( -0.000 0.000 4.528) 4.528 16.013 ( -0.000 0.000 4.528) 4.528 19.038 ( 0.000 -0.000 -2.299) 2.299 19.038 ( 0.000 -0.000 -2.299) 2.299 19.446 ( -0.000 0.000 0.207) 0.207 21.369 ( 0.000 -0.000 -0.902) 0.902 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -1.642 -2.758 20.723) 20.970 1.665 ( 7.747 7.120 16.950) 19.951 2.435 ( 1.805 2.186 25.511) 25.668 2.796 ( 0.330 -1.798 -0.231) 1.843 2.855 ( 2.178 1.981 0.828) 3.058 3.509 ( -1.275 -0.907 -4.036) 4.328 6.706 ( -0.815 -0.794 4.800) 4.933 6.782 ( 3.166 2.027 4.819) 6.112 7.217 ( -2.616 -1.224 2.968) 4.141 7.915 ( -2.032 -3.281 1.762) 4.243 8.015 ( 1.180 2.614 2.150) 3.584 9.922 ( -5.029 -2.698 -8.333) 10.100 10.288 ( -5.494 1.788 -1.222) 5.905 10.374 ( 2.257 -0.690 0.268) 2.375 10.743 ( -3.746 -26.632 -1.967) 26.966 11.035 ( -11.588 11.994 -7.047) 18.106 11.421 ( 4.950 6.782 -0.446) 8.408 11.629 ( 10.398 4.375 -1.736) 11.413 16.002 ( 0.228 -0.469 4.768) 4.796 16.130 ( 3.598 3.479 3.773) 6.267 18.975 ( -1.811 -0.236 -1.883) 2.624 19.156 ( 8.435 4.155 -2.024) 9.619 19.442 ( -0.427 -0.293 -0.082) 0.524 21.271 ( -7.214 -4.920 -0.986) 8.787 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.740 1.636 19.333) 20.234 1.948 ( 6.468 6.897 12.273) 15.493 2.605 ( -1.468 5.434 13.222) 14.370 2.804 ( 3.329 -3.396 2.777) 5.507 2.929 ( 2.608 1.338 3.773) 4.777 3.438 ( -2.435 -1.921 -4.252) 5.263 6.709 ( -0.792 -1.539 3.641) 4.031 6.888 ( 3.328 2.699 2.858) 5.151 7.174 ( -3.017 -1.037 2.482) 4.042 7.852 ( -1.462 -4.365 -0.004) 4.604 8.057 ( -0.510 2.892 0.257) 2.948 9.727 ( -6.899 -5.310 -7.943) 11.785 10.185 ( -6.353 -0.577 -2.124) 6.724 10.390 ( -0.894 -0.215 -0.624) 1.111 10.541 ( 8.773 -21.803 0.413) 23.506 10.903 ( -10.739 9.971 -5.942) 15.813 11.556 ( 1.310 10.229 -2.137) 10.532 11.771 ( 4.733 0.787 1.937) 5.174 16.065 ( 2.821 1.021 5.833) 6.559 16.235 ( 2.385 3.891 1.322) 4.751 18.955 ( -0.159 0.932 -0.276) 0.985 19.341 ( 8.574 4.380 0.418) 9.637 19.425 ( -0.749 -0.567 -0.696) 1.169 21.052 ( -9.507 -7.491 -3.096) 12.493 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 10.570 4.982 15.625) 19.511 2.152 ( 4.510 3.604 6.103) 8.401 2.660 ( -3.797 5.321 4.750) 8.081 2.874 ( 3.646 -1.102 4.472) 5.874 3.000 ( 1.197 -0.342 5.739) 5.872 3.343 ( -2.944 -2.324 -4.346) 5.741 6.696 ( -0.639 -2.280 1.862) 3.012 6.964 ( 1.276 2.660 -0.253) 2.961 7.134 ( -1.736 -0.877 0.931) 2.156 7.789 ( -0.083 -4.461 -2.133) 4.945 8.054 ( -2.623 3.010 -1.959) 4.447 9.504 ( -5.077 -8.094 -10.219) 13.990 10.059 ( -3.783 -3.655 -2.749) 5.936 10.355 ( 0.021 -2.177 -2.298) 3.166 10.509 ( 0.270 -4.329 -4.241) 6.066 10.863 ( 1.919 1.867 3.905) 4.735 11.607 ( -4.723 9.592 -2.898) 11.078 11.868 ( 3.332 0.266 6.919) 7.684 16.185 ( 3.950 2.731 7.663) 9.044 16.292 ( 0.975 2.298 -2.020) 3.211 18.986 ( 1.514 1.872 2.095) 3.192 19.399 ( -0.732 -0.564 -1.420) 1.695 19.510 ( 4.633 2.621 5.686) 7.789 20.795 ( -7.621 -7.182 -8.280) 13.350 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 8.482 4.855 10.919) 14.654 2.253 ( 5.289 0.426 1.255) 5.453 2.659 ( -3.927 1.778 3.294) 5.425 2.933 ( 0.521 1.686 1.894) 2.589 3.026 ( -1.325 -1.024 4.822) 5.104 3.248 ( -2.877 -1.867 -3.451) 4.865 6.676 ( 0.351 -1.969 0.062) 2.001 6.970 ( -2.048 2.340 -3.096) 4.388 7.115 ( 1.027 -2.015 -1.009) 2.476 7.735 ( 0.892 -3.767 -4.520) 5.950 8.007 ( -4.384 3.490 -3.640) 6.682 9.271 ( -2.994 -8.895 -16.279) 18.790 9.965 ( -1.559 -2.650 -2.687) 4.083 10.304 ( -2.396 -0.669 -4.698) 5.316 10.439 ( -2.168 1.961 -3.444) 4.517 11.027 ( 11.102 -3.816 11.052) 16.123 11.570 ( -7.708 8.160 -0.925) 11.263 11.969 ( 1.533 1.243 9.310) 9.517 16.275 ( -3.414 4.938 -4.241) 7.350 16.347 ( 6.719 -1.293 9.082) 11.370 19.062 ( 2.512 2.387 4.334) 5.549 19.374 ( -0.488 -0.262 -1.613) 1.706 19.599 ( -1.832 -1.134 11.479) 11.679 20.582 ( -1.927 -3.688 -15.000) 15.567 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -3.248 -3.652 -0.262) 4.894 2.489 ( 8.833 5.385 6.942) 12.458 2.575 ( -5.656 -5.737 0.105) 8.057 2.969 ( 0.755 4.739 -0.337) 4.810 3.006 ( -2.332 -0.933 2.826) 3.780 3.167 ( -3.597 -1.454 -0.401) 3.901 6.679 ( 1.738 -0.399 -0.796) 1.953 6.916 ( -3.371 1.455 -4.430) 5.754 7.105 ( 2.457 -4.223 -2.931) 5.698 7.691 ( 1.531 -1.864 -6.748) 7.166 7.934 ( -5.471 4.214 -4.806) 8.413 9.029 ( -1.111 -7.315 -23.130) 24.284 9.924 ( 0.571 -0.781 -2.319) 2.513 10.225 ( -2.885 0.681 -3.526) 4.606 10.434 ( 0.957 0.809 -1.193) 1.731 11.252 ( 10.632 -4.567 12.632) 17.130 11.510 ( -8.016 6.784 1.429) 10.598 12.064 ( 0.537 2.422 10.471) 10.761 16.204 ( -3.800 1.194 -7.241) 8.264 16.508 ( 4.155 0.263 12.474) 13.151 19.160 ( 2.242 2.481 5.604) 6.526 19.357 ( -0.613 0.173 -0.999) 1.185 19.571 ( -6.265 -5.255 12.195) 14.683 20.487 ( 4.390 1.062 -17.753) 18.319 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -7.891 -5.917 -1.266) 9.944 2.323 ( -12.051 -9.430 -5.172) 16.152 2.665 ( 0.983 3.258 6.212) 7.083 2.957 ( -2.180 -2.506 1.426) 3.614 3.075 ( -3.181 -2.520 6.429) 7.603 3.114 ( 5.533 6.886 -3.042) 9.343 6.712 ( 1.444 1.943 -0.459) 2.464 6.841 ( -2.441 -0.501 -4.072) 4.774 7.070 ( 2.281 -6.540 -4.497) 8.258 7.677 ( 2.931 1.808 -7.872) 8.592 7.852 ( -5.153 4.324 -5.475) 8.674 8.822 ( 2.600 -4.400 -26.297) 26.789 9.932 ( 2.170 0.630 -2.967) 3.729 10.190 ( -0.205 0.660 -1.197) 1.383 10.456 ( 1.845 -0.365 -0.758) 2.028 11.414 ( -3.353 4.601 11.515) 12.846 11.470 ( 1.961 -3.947 3.942) 5.913 12.174 ( 1.071 3.844 10.253) 11.002 16.090 ( -4.147 -0.371 -7.875) 8.907 16.633 ( 0.301 -0.469 14.435) 14.446 19.245 ( 0.224 2.842 5.671) 6.347 19.338 ( -1.876 -0.362 1.532) 2.449 19.485 ( -3.380 -5.765 6.151) 9.082 20.504 ( 7.287 2.999 -15.540) 17.423 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -1.067 -3.692 18.575) 18.968 1.765 ( 1.579 8.686 17.442) 19.549 2.575 ( 1.764 -0.748 19.305) 19.400 2.823 ( -3.212 1.873 0.726) 3.788 2.851 ( 1.527 3.556 2.239) 4.471 3.487 ( -0.134 -1.131 -3.960) 4.121 6.751 ( -0.431 -0.063 4.907) 4.926 6.798 ( 0.367 1.911 5.035) 5.398 7.223 ( 0.240 -4.517 2.736) 5.287 7.945 ( -2.362 -2.258 2.026) 3.845 8.011 ( 2.205 0.842 1.135) 2.619 9.849 ( -0.073 -9.886 -7.575) 12.455 10.254 ( 3.756 -10.707 1.584) 11.456 10.351 ( -2.388 0.274 -0.534) 2.462 10.628 ( -10.600 -20.170 -6.496) 23.693 11.116 ( 8.023 6.701 -3.826) 11.132 11.378 ( 1.609 3.662 0.350) 4.015 11.690 ( -0.610 18.674 -3.037) 18.929 15.993 ( -0.157 -3.759 4.724) 6.040 16.199 ( 0.737 9.216 3.513) 9.890 19.025 ( 2.027 4.430 -1.813) 5.198 19.087 ( -1.987 4.862 -2.468) 5.803 19.440 ( -0.038 -0.849 -0.085) 0.854 21.258 ( -0.512 -9.953 -0.606) 9.984 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 2.724 0.262 19.112) 19.307 2.001 ( 3.873 8.044 12.418) 15.294 2.706 ( 4.864 -2.767 8.129) 9.868 2.802 ( -3.691 4.528 2.929) 6.535 2.935 ( 1.394 2.832 5.672) 6.491 3.432 ( -1.838 -1.667 -3.875) 4.602 6.750 ( -2.195 -0.803 4.121) 4.738 6.881 ( 2.786 2.117 3.714) 5.103 7.186 ( -0.480 -5.474 2.284) 5.950 7.866 ( -4.091 -3.848 1.383) 5.784 8.061 ( 1.889 0.853 -0.903) 2.261 9.634 ( -2.427 -20.074 -5.914) 21.067 10.165 ( 0.251 -18.021 1.508) 18.086 10.321 ( 0.263 0.205 -0.647) 0.728 10.381 ( -1.258 -3.849 -2.514) 4.767 11.107 ( -8.658 6.104 -4.298) 11.432 11.545 ( 9.191 6.296 -0.772) 11.168 11.830 ( -1.462 15.384 -2.786) 15.702 16.017 ( 3.318 -3.265 5.219) 6.994 16.321 ( -0.333 11.044 1.234) 11.118 19.021 ( -3.820 6.147 -0.497) 7.254 19.225 ( 9.628 5.621 -1.958) 11.320 19.423 ( -0.517 -1.350 -0.472) 1.521 21.076 ( -6.512 -13.514 -0.696) 15.017 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 7.170 3.680 17.377) 19.155 2.174 ( 1.682 5.589 5.624) 8.105 2.752 ( 1.105 -2.542 1.260) 3.044 2.859 ( 0.936 5.278 4.130) 6.767 3.012 ( 1.125 0.332 6.454) 6.560 3.350 ( -3.004 -1.504 -3.537) 4.877 6.718 ( -2.593 -1.917 2.715) 4.215 6.956 ( 2.185 1.053 0.574) 2.492 7.137 ( -0.898 -4.628 1.065) 4.833 7.766 ( -3.284 -4.420 0.057) 5.506 8.071 ( 0.424 0.053 -2.980) 3.011 9.355 ( -1.231 -22.238 -5.090) 22.846 10.027 ( -1.063 -8.456 -0.922) 8.572 10.319 ( 0.056 -0.337 -2.147) 2.174 10.390 ( 5.275 -4.431 2.231) 7.242 10.976 ( -9.068 5.297 -3.775) 11.159 11.733 ( 4.345 8.938 -1.793) 10.098 11.903 ( -2.367 9.234 1.516) 9.653 16.102 ( 6.179 -3.319 5.486) 8.905 16.402 ( -2.927 11.224 -1.055) 11.647 19.043 ( -1.555 6.951 1.903) 7.372 19.391 ( -0.183 -1.180 -1.237) 1.719 19.442 ( 9.270 4.755 0.806) 10.450 20.796 ( -8.808 -14.295 -3.182) 17.089 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 9.407 5.046 13.050) 16.860 2.239 ( -0.489 2.821 1.015) 3.038 2.733 ( -2.004 -2.416 1.268) 3.386 2.939 ( 1.716 3.385 -0.379) 3.813 3.055 ( 0.006 -1.501 5.420) 5.624 3.268 ( -3.135 -0.382 -2.496) 4.025 6.670 ( -1.740 -2.206 0.752) 2.909 6.977 ( 1.545 -1.635 -2.349) 3.252 7.076 ( -2.136 -3.086 -1.141) 3.922 7.681 ( -1.432 -3.739 -1.819) 4.398 8.046 ( -0.566 -0.117 -3.777) 3.821 9.110 ( -1.609 -15.753 -7.871) 17.683 9.945 ( -1.217 -3.275 -1.889) 3.972 10.299 ( -0.616 0.466 -3.153) 3.246 10.432 ( 2.228 -3.136 -0.422) 3.871 10.919 ( 1.252 -0.653 3.750) 4.007 11.803 ( -5.955 12.296 -3.091) 14.008 11.994 ( 2.943 2.762 7.059) 8.131 16.207 ( 5.870 -3.173 2.201) 7.027 16.440 ( -3.254 9.222 1.203) 9.853 19.122 ( -0.219 7.907 4.393) 9.048 19.363 ( -0.290 -1.026 -1.484) 1.828 19.632 ( 5.714 2.077 5.916) 8.483 20.493 ( -6.451 -12.102 -9.317) 16.580 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -3.341 0.244 -1.468) 3.658 2.416 ( 10.374 4.175 10.004) 15.004 2.639 ( -5.811 -3.396 -1.646) 6.929 2.973 ( 1.193 1.088 -2.814) 3.245 3.049 ( -2.019 -1.356 3.034) 3.888 3.213 ( -2.571 0.239 0.309) 2.600 6.641 ( 0.786 -1.020 -1.250) 1.794 6.956 ( 1.065 -2.826 -3.456) 4.590 6.988 ( -2.633 -3.762 -3.413) 5.722 7.626 ( 0.119 -1.428 -3.896) 4.151 8.009 ( -1.857 1.252 -3.218) 3.921 8.881 ( -4.268 -7.152 -14.573) 16.786 9.899 ( -0.283 -0.844 -2.179) 2.354 10.258 ( -2.532 1.417 -4.196) 5.102 10.415 ( 0.332 -1.441 -1.277) 1.954 11.046 ( 11.295 -7.000 10.455) 16.907 11.771 ( -8.886 10.414 -0.719) 13.709 12.117 ( 2.970 1.825 8.357) 9.055 16.217 ( -1.378 0.189 -6.168) 6.322 16.532 ( 2.778 2.927 10.183) 10.953 19.232 ( -0.377 8.098 5.998) 10.084 19.347 ( 0.336 -0.163 -1.533) 1.578 19.704 ( -4.186 -4.246 12.161) 13.544 20.281 ( 3.192 -5.424 -17.446) 18.547 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -6.738 -1.984 -0.764) 7.065 2.415 ( -10.347 -5.521 -4.478) 12.554 2.683 ( 5.916 4.329 6.706) 9.936 2.957 ( -0.739 -3.970 -0.587) 4.080 3.044 ( 2.547 2.507 -1.739) 3.975 3.181 ( -3.303 -0.109 3.711) 4.970 6.667 ( 3.799 0.862 -2.501) 4.629 6.874 ( -3.766 -3.017 -4.595) 6.664 6.925 ( 1.789 -4.283 -3.022) 5.539 7.613 ( 1.808 2.115 -5.603) 6.256 7.964 ( -4.321 3.814 -2.594) 6.320 8.654 ( -4.183 -0.829 -20.494) 20.933 9.891 ( 1.160 0.518 -2.639) 2.929 10.207 ( -1.979 1.618 -2.893) 3.860 10.412 ( 1.625 -2.138 -0.048) 2.686 11.244 ( 12.217 -8.644 10.928) 18.531 11.706 ( -9.225 7.035 1.745) 11.731 12.234 ( 2.643 1.902 8.487) 9.090 16.120 ( -4.663 1.161 -8.121) 9.436 16.681 ( 3.797 -1.052 14.092) 14.633 19.316 ( -0.973 3.516 3.476) 5.039 19.364 ( 0.154 3.974 1.757) 4.348 19.581 ( -8.999 -7.687 8.285) 14.447 20.272 ( 9.794 -0.101 -16.056) 18.807 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -3.265 0.783 17.087) 17.414 1.964 ( -2.908 5.861 16.208) 17.478 2.612 ( 0.541 -2.673 6.946) 7.462 2.850 ( -0.450 1.444 0.045) 1.513 2.969 ( -1.873 5.330 8.740) 10.407 3.438 ( 1.602 -1.316 -4.193) 4.678 6.769 ( 1.773 0.599 4.289) 4.679 6.864 ( -2.448 0.953 3.134) 4.089 7.174 ( 0.868 -6.222 2.261) 6.677 7.934 ( 3.509 0.523 0.529) 3.587 8.000 ( -1.534 -3.158 0.205) 3.517 9.665 ( 0.960 -16.418 -4.873) 17.153 10.128 ( 0.255 -9.381 -0.124) 9.386 10.372 ( -0.904 -1.156 -0.375) 1.515 10.571 ( -7.875 -15.971 -6.701) 19.026 10.978 ( 14.747 14.546 -3.281) 20.972 11.451 ( -4.012 3.207 0.663) 5.179 11.835 ( 0.264 12.423 -0.819) 12.453 16.018 ( -3.352 -3.672 4.989) 7.044 16.295 ( 1.258 9.841 2.287) 10.181 18.993 ( 3.234 4.455 -0.500) 5.527 19.249 ( -8.759 6.818 -1.665) 11.224 19.425 ( 0.436 -1.194 -0.504) 1.367 21.100 ( 5.521 -11.776 -1.679) 13.114 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.148 1.431 16.153) 16.217 2.132 ( 1.044 7.524 15.336) 17.114 2.645 ( 2.484 -2.199 2.213) 3.988 2.853 ( 0.190 1.310 -0.630) 1.466 3.041 ( -2.120 4.283 8.263) 9.545 3.410 ( -0.145 -1.524 -3.862) 4.154 6.806 ( -1.568 -0.279 3.864) 4.179 6.882 ( 1.462 0.960 2.650) 3.175 7.126 ( 0.785 -8.477 2.136) 8.777 7.906 ( -3.407 -4.356 1.322) 5.686 8.011 ( 2.910 0.012 -1.983) 3.521 9.395 ( -2.460 -30.479 0.289) 30.579 10.028 ( -0.299 -10.241 0.683) 10.268 10.331 ( -0.453 -4.560 -2.812) 5.377 10.362 ( -3.390 -0.083 -1.533) 3.721 11.245 ( 1.941 10.874 -4.378) 11.882 11.452 ( 3.083 3.692 -0.148) 4.812 11.972 ( 0.651 14.437 -3.264) 14.815 15.989 ( 0.122 -3.238 5.279) 6.194 16.435 ( 1.027 12.267 0.128) 12.311 19.129 ( 6.699 6.274 -1.490) 9.298 19.180 ( -6.505 8.639 -0.665) 10.835 19.410 ( -0.117 -1.782 -0.509) 1.857 20.991 ( -1.068 -16.491 -0.613) 16.537 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.848 3.372 15.213) 16.319 2.284 ( -1.389 7.159 8.706) 11.356 2.679 ( 3.354 -3.300 1.568) 4.960 2.879 ( 1.905 1.312 -1.384) 2.695 3.080 ( -2.102 2.225 5.500) 6.295 3.359 ( -1.644 -1.084 -3.107) 3.678 6.773 ( -3.614 -1.660 3.099) 5.042 6.913 ( 1.621 -3.062 -1.107) 3.637 7.093 ( 1.784 -4.975 2.946) 6.051 7.802 ( -4.686 -4.468 1.357) 6.615 8.017 ( 1.353 -2.207 -4.062) 4.816 9.091 ( 0.963 -29.932 4.728) 30.319 9.951 ( 0.442 -6.748 0.785) 6.808 10.293 ( 2.269 -3.979 -0.328) 4.592 10.332 ( -1.520 1.841 -1.412) 2.773 11.188 ( -11.441 7.467 -4.124) 14.271 11.641 ( 11.087 5.212 -1.666) 12.364 12.065 ( -2.505 12.104 -3.122) 12.749 16.023 ( 3.379 -3.083 5.396) 7.074 16.546 ( -1.498 12.627 -2.705) 13.000 19.172 ( -2.401 8.612 -0.291) 8.945 19.328 ( 7.303 6.065 0.090) 9.493 19.387 ( 0.348 -0.505 -0.094) 0.621 20.755 ( -6.080 -18.350 -0.838) 19.349 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 7.574 4.202 12.071) 14.857 2.331 ( -3.919 5.714 2.500) 7.366 2.701 ( 1.643 -4.011 1.268) 4.516 2.912 ( 2.675 -0.653 -2.203) 3.526 3.090 ( -1.458 0.716 2.929) 3.349 3.302 ( -2.372 -0.137 -2.108) 3.176 6.699 ( -3.843 -3.182 1.557) 5.227 6.875 ( 2.094 -6.941 -2.883) 7.802 7.099 ( -1.060 -0.028 0.847) 1.358 7.690 ( -4.309 -3.936 0.972) 5.916 7.982 ( 2.076 -3.933 -4.518) 6.340 8.922 ( 2.684 -19.455 5.009) 20.268 9.916 ( 0.300 -3.331 0.264) 3.355 10.295 ( 0.691 -1.243 -1.510) 2.075 10.336 ( 2.672 -2.036 1.153) 3.552 11.030 ( -10.303 5.162 -3.664) 12.092 11.845 ( 7.796 4.889 -1.056) 9.262 12.091 ( -4.001 8.383 -0.935) 9.336 16.101 ( 5.293 -3.027 4.264) 7.441 16.592 ( -3.843 10.672 -3.373) 11.833 19.254 ( -0.281 11.000 2.758) 11.344 19.348 ( -0.230 -1.426 -1.008) 1.762 19.549 ( 8.632 4.652 1.896) 9.988 20.441 ( -8.535 -17.786 -3.147) 19.977 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -1.633 4.885 -0.482) 5.173 2.376 ( 5.203 2.789 9.861) 11.492 2.656 ( -2.092 -3.465 -2.470) 4.742 2.920 ( 1.983 -2.758 -2.573) 4.262 3.081 ( -1.384 -0.560 0.623) 1.618 3.256 ( -2.017 0.279 -0.294) 2.057 6.621 ( -1.516 -3.109 -0.894) 3.573 6.831 ( 2.175 -6.408 -1.581) 6.949 7.051 ( -4.510 0.983 -2.104) 5.073 7.610 ( -1.846 -1.952 -0.687) 2.773 7.968 ( 2.944 -2.629 -2.999) 4.957 8.825 ( -1.758 -7.470 -0.608) 7.698 9.891 ( -0.709 -0.654 -0.925) 1.336 10.277 ( -0.829 0.757 -2.883) 3.094 10.365 ( 2.322 -3.367 0.552) 4.127 10.952 ( -0.282 -0.354 2.991) 3.025 11.946 ( -1.932 6.371 -2.720) 7.192 12.122 ( 1.825 2.276 3.661) 4.681 16.170 ( 3.144 -1.643 -0.479) 3.579 16.608 ( -1.956 5.889 1.557) 6.398 19.329 ( 0.049 -0.555 -1.008) 1.151 19.392 ( -0.878 12.969 5.677) 14.184 19.728 ( 6.321 0.169 5.282) 8.239 20.111 ( -6.199 -14.509 -9.502) 18.418 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -6.992 2.856 -0.718) 7.587 2.492 ( -5.001 -2.026 0.112) 5.397 2.639 ( 7.362 2.591 3.433) 8.526 2.896 ( 1.406 -4.035 -2.918) 5.174 3.037 ( -1.619 -1.113 -2.305) 3.029 3.238 ( -1.355 -0.283 2.610) 2.954 6.591 ( 2.170 -1.254 -3.240) 4.096 6.802 ( 0.729 -4.415 0.216) 4.481 6.963 ( -4.543 1.491 -2.916) 5.601 7.585 ( 0.531 1.349 -2.749) 3.108 7.986 ( 2.200 -0.226 -1.134) 2.486 8.685 ( -8.367 2.845 -10.062) 13.392 9.874 ( -0.172 0.684 -1.454) 1.615 10.243 ( -2.175 1.932 -3.726) 4.727 10.362 ( 1.314 -3.065 0.454) 3.365 11.048 ( 9.340 -5.936 9.324) 14.471 11.897 ( -7.062 4.289 -1.826) 8.462 12.222 ( 4.791 -0.446 4.897) 6.866 16.149 ( -2.443 1.062 -6.118) 6.672 16.682 ( 3.349 -0.468 9.178) 9.781 19.326 ( 0.449 0.419 -1.095) 1.256 19.520 ( -3.866 10.819 8.501) 14.292 19.701 ( -9.564 -9.695 5.303) 14.614 19.984 ( 11.707 -1.734 -13.941) 18.287 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -7.409 4.137 15.055) 17.281 2.154 ( -3.086 4.223 11.023) 12.201 2.616 ( -0.582 -2.562 2.879) 3.897 2.882 ( -1.720 0.669 0.631) 1.950 3.076 ( 0.525 2.904 7.783) 8.324 3.356 ( 3.026 -1.457 -4.833) 5.886 6.758 ( 2.849 0.611 2.432) 3.795 6.913 ( -2.000 -1.200 -0.385) 2.364 7.121 ( -0.302 -5.324 1.649) 5.581 7.874 ( 4.644 1.698 -0.613) 4.982 7.975 ( -1.064 -5.867 -1.740) 6.212 9.463 ( 0.824 -15.351 -5.587) 16.357 10.048 ( 0.291 -5.856 -1.727) 6.112 10.362 ( -0.825 -1.847 -1.327) 2.419 10.467 ( 1.080 -9.082 -6.622) 11.291 10.937 ( 3.381 11.264 0.549) 11.773 11.539 ( -0.804 4.604 0.963) 4.772 11.925 ( 0.131 6.426 3.153) 7.159 16.090 ( -5.575 -4.156 4.854) 8.480 16.373 ( 1.975 9.917 1.132) 10.174 19.012 ( 0.600 5.282 1.932) 5.656 19.395 ( 0.339 -1.053 -1.184) 1.620 19.458 ( -8.060 5.160 1.248) 9.651 20.845 ( 8.642 -11.258 -5.079) 15.074 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -4.726 3.104 13.232) 14.390 2.276 ( 1.116 5.096 15.035) 15.914 2.614 ( 0.634 -0.045 -1.019) 1.201 2.862 ( -1.062 0.069 -0.160) 1.076 3.142 ( -0.824 1.901 5.604) 5.974 3.352 ( 2.026 -1.793 -4.666) 5.393 6.826 ( 2.037 -0.346 2.924) 3.580 6.874 ( 0.077 -1.770 -0.959) 2.014 7.053 ( -1.027 -8.069 2.612) 8.544 7.886 ( -0.677 -7.094 -1.294) 7.242 7.955 ( 3.297 1.248 -1.027) 3.672 9.185 ( -5.760 -28.438 2.817) 29.152 9.967 ( -1.222 -6.087 -0.546) 6.232 10.281 ( -1.228 -4.589 -2.456) 5.348 10.397 ( -1.498 -0.891 -0.264) 1.763 11.160 ( 11.687 10.856 -7.035) 17.434 11.562 ( -5.692 5.550 2.836) 8.441 12.042 ( 2.865 10.131 -1.423) 10.624 16.018 ( -2.857 -3.140 5.605) 7.031 16.518 ( 2.495 11.907 -1.447) 12.252 19.116 ( 2.465 7.393 0.848) 7.839 19.362 ( -4.208 2.980 -0.648) 5.197 19.402 ( -2.893 3.086 0.034) 4.230 20.791 ( 4.128 -16.998 -2.660) 17.694 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.858 3.513 12.164) 12.690 2.432 ( -0.095 5.451 11.622) 12.837 2.618 ( 1.568 -0.752 -1.146) 2.083 2.847 ( 0.157 -0.729 -1.658) 1.818 3.156 ( -1.892 0.923 2.484) 3.256 3.332 ( 0.877 -1.706 -3.796) 4.253 6.817 ( 0.515 -4.169 -1.276) 4.390 6.851 ( -2.965 -4.093 1.329) 5.226 7.026 ( 3.710 -3.986 4.425) 7.017 7.804 ( -0.398 -6.229 -0.851) 6.299 7.970 ( -0.998 -1.527 -2.081) 2.768 8.859 ( -2.457 -29.214 11.027) 31.323 9.902 ( -0.332 -4.443 0.752) 4.519 10.230 ( 0.614 -3.247 -0.533) 3.348 10.372 ( -1.713 1.507 -0.773) 2.409 11.388 ( 2.268 11.073 -7.295) 13.453 11.513 ( -0.088 2.415 0.410) 2.451 12.159 ( 0.957 9.556 -3.711) 10.296 16.003 ( 0.013 -2.854 6.014) 6.656 16.649 ( 0.996 12.587 -5.079) 13.609 19.206 ( 1.765 5.547 -3.596) 6.842 19.345 ( -0.402 -0.273 0.437) 0.654 19.434 ( -1.106 9.989 4.363) 10.956 20.624 ( -1.089 -19.756 -1.479) 19.842 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 5.412 3.215 9.970) 11.791 2.486 ( -4.875 7.100 0.406) 8.622 2.653 ( 2.117 -3.233 5.651) 6.846 2.829 ( 1.974 -3.167 -3.082) 4.840 3.136 ( -2.044 0.398 -0.245) 2.097 3.302 ( -0.142 -1.200 -2.749) 3.002 6.727 ( -2.610 -8.294 -0.540) 8.711 6.786 ( -0.963 -2.382 0.922) 2.730 7.098 ( 2.673 -0.223 2.568) 3.714 7.738 ( -2.787 -3.911 1.714) 5.099 7.877 ( -0.913 -6.840 -3.147) 7.585 8.726 ( 4.572 -19.779 14.067) 24.698 9.881 ( 0.857 -2.764 1.786) 3.401 10.224 ( 2.116 -3.219 0.648) 3.906 10.355 ( -1.799 2.179 -1.116) 3.038 11.269 ( -13.879 6.340 -4.752) 15.982 11.701 ( 12.217 4.260 -3.296) 13.352 12.202 ( -2.133 6.878 -4.283) 8.378 16.036 ( 2.672 -2.913 5.541) 6.806 16.716 ( -2.093 11.092 -7.332) 13.461 19.287 ( 5.354 6.373 -4.494) 9.459 19.331 ( -0.118 -1.509 0.158) 1.522 19.580 ( 0.221 11.047 7.456) 13.329 20.367 ( -5.393 -19.910 -1.346) 20.672 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 7.208 3.206 7.153) 10.649 2.451 ( -5.123 5.221 -1.799) 7.533 2.649 ( -2.163 -2.000 1.493) 3.303 2.823 ( 3.439 -5.426 -1.035) 6.507 3.094 ( -1.721 -0.790 -2.523) 3.155 3.272 ( -0.636 -0.756 -1.252) 1.595 6.613 ( -2.571 -5.585 0.521) 6.170 6.767 ( 0.455 -1.894 1.513) 2.467 7.110 ( -2.381 0.560 -0.891) 2.603 7.643 ( -4.609 -3.107 2.003) 5.908 7.844 ( 5.234 -4.834 -1.740) 7.334 8.755 ( 4.483 -9.753 11.634) 15.829 9.890 ( 0.523 -0.707 1.389) 1.644 10.237 ( 2.361 -3.103 0.386) 3.918 10.343 ( -1.019 1.617 -0.551) 1.989 11.070 ( -10.989 3.673 -3.902) 12.226 11.901 ( 9.034 2.960 -1.956) 9.705 12.174 ( -3.494 3.131 -3.836) 6.061 16.096 ( 3.812 -2.552 3.441) 5.735 16.709 ( -3.577 7.281 -5.863) 10.009 19.319 ( -0.001 -0.652 0.069) 0.656 19.458 ( 9.778 8.147 -4.529) 13.509 19.716 ( -1.299 8.306 7.616) 11.344 20.059 ( -8.177 -18.053 -0.969) 19.842 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -7.194 6.080 -1.932) 9.615 2.493 ( 8.994 -2.357 6.675) 11.445 2.594 ( -3.435 1.917 -1.250) 4.128 2.808 ( 2.146 -4.822 -1.950) 5.627 3.030 ( -1.761 -2.076 -3.969) 4.813 3.255 ( -0.209 -1.149 0.670) 1.347 6.551 ( -0.645 -1.902 0.155) 2.014 6.785 ( 0.555 -0.003 3.253) 3.300 7.033 ( -4.834 0.458 -2.879) 5.644 7.585 ( -0.974 -0.039 -0.128) 0.983 7.904 ( 5.469 -1.529 0.251) 5.684 8.786 ( -2.507 0.740 3.546) 4.405 9.892 ( -1.049 1.106 0.124) 1.530 10.240 ( 0.994 -1.575 -1.256) 2.246 10.340 ( -0.640 0.539 -0.227) 0.867 10.971 ( -0.607 -1.666 2.516) 3.078 11.996 ( -1.501 3.190 -3.133) 4.716 12.140 ( 3.485 -2.594 -0.714) 4.402 16.136 ( 1.324 -0.656 -1.134) 1.863 16.693 ( -0.433 1.432 0.278) 1.521 19.320 ( 0.221 0.247 -0.033) 0.333 19.671 ( 9.156 -2.071 -12.020) 15.251 19.757 ( -4.025 4.873 -2.415) 6.766 19.800 ( -6.181 -3.339 15.282) 16.819 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -9.957 5.599 12.303) 16.789 2.271 ( -0.316 4.640 2.818) 5.438 2.627 ( -1.695 -2.973 3.656) 5.008 2.910 ( -1.020 -1.207 -0.009) 1.580 3.095 ( 3.449 -0.882 4.758) 5.942 3.263 ( 2.665 -0.794 -3.856) 4.754 6.719 ( 2.800 0.117 -0.420) 2.834 6.901 ( -1.048 -3.295 -3.480) 4.905 7.109 ( -1.339 -2.395 1.168) 2.982 7.807 ( 4.764 2.035 -1.605) 5.423 7.906 ( -0.715 -7.422 -3.875) 8.403 9.258 ( 3.506 -9.106 -11.643) 15.191 9.980 ( 1.371 -2.264 -2.627) 3.729 10.313 ( 4.486 -3.312 -4.900) 7.423 10.362 ( -2.262 -1.513 -1.370) 3.047 11.052 ( -6.188 1.306 4.760) 7.915 11.580 ( 3.744 8.043 2.374) 9.184 12.004 ( -1.116 1.798 6.549) 6.882 16.158 ( -4.028 -4.038 1.370) 5.866 16.451 ( 0.437 8.407 3.782) 9.229 19.092 ( -0.743 6.295 4.394) 7.713 19.367 ( 0.507 -0.895 -1.465) 1.790 19.632 ( -5.153 1.735 6.264) 8.294 20.555 ( 7.392 -8.665 -11.234) 15.997 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -8.752 3.966 9.603) 13.585 2.375 ( 2.009 4.290 9.549) 10.659 2.604 ( -0.411 -0.069 -1.047) 1.127 2.881 ( -1.140 -1.256 0.663) 1.821 3.162 ( 2.881 -1.821 2.647) 4.315 3.267 ( 1.646 -0.602 -3.846) 4.227 6.756 ( 3.559 -4.321 -0.940) 5.677 6.843 ( 0.249 -1.253 -2.194) 2.539 7.049 ( -3.017 -4.860 2.842) 6.388 7.796 ( 0.149 -8.653 -2.838) 9.108 7.902 ( 4.344 2.154 -0.831) 4.920 9.062 ( -5.237 -19.204 -0.703) 19.918 9.935 ( -1.122 -3.671 -1.067) 3.984 10.257 ( -1.679 -3.458 -0.954) 3.960 10.379 ( 2.317 -0.331 -0.612) 2.419 11.056 ( 4.808 5.491 -5.301) 9.020 11.719 ( -2.113 8.024 4.294) 9.343 12.070 ( 2.345 5.474 1.469) 6.133 16.082 ( -3.679 -2.721 4.729) 6.581 16.569 ( 2.336 9.732 -1.454) 10.113 19.196 ( -0.192 9.274 3.986) 10.096 19.356 ( 0.247 -1.041 -0.941) 1.424 19.571 ( -6.997 4.318 2.023) 8.467 20.506 ( 7.101 -15.597 -6.683) 18.394 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.953 2.879 8.599) 9.893 2.513 ( 2.767 0.381 12.477) 12.786 2.595 ( 0.243 3.312 -6.550) 7.344 2.854 ( -1.853 -0.775 0.831) 2.174 3.182 ( 0.608 -2.342 0.628) 2.500 3.262 ( 1.437 -0.654 -3.559) 3.893 6.718 ( 1.255 -7.255 -2.459) 7.763 6.878 ( 1.877 0.064 2.068) 2.794 6.971 ( -1.007 -5.320 3.605) 6.505 7.712 ( 1.138 -7.328 -2.364) 7.784 7.965 ( 1.024 0.510 -0.242) 1.169 8.764 ( -7.457 -22.808 10.824) 26.325 9.882 ( -0.884 -2.964 0.515) 3.136 10.206 ( -0.990 -2.305 0.619) 2.584 10.395 ( 0.073 0.412 -0.071) 0.424 11.233 ( 12.724 8.196 -9.437) 17.836 11.698 ( -9.201 3.863 2.727) 10.345 12.183 ( 2.953 7.328 -2.930) 8.427 16.040 ( -2.576 -2.579 6.511) 7.462 16.690 ( 2.941 10.776 -6.744) 13.048 19.259 ( -3.144 6.445 -1.117) 7.257 19.339 ( -0.618 -0.871 -0.515) 1.186 19.589 ( -0.753 9.553 5.967) 11.289 20.395 ( 3.668 -19.230 -3.953) 19.972 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.584 1.273 7.088) 7.373 2.589 ( -1.598 8.204 -9.578) 12.712 2.621 ( 4.096 -6.899 12.534) 14.882 2.808 ( -3.642 0.178 0.212) 3.653 3.151 ( -0.962 -2.265 -1.745) 3.017 3.258 ( 1.205 -0.778 -2.716) 3.072 6.657 ( 0.361 -5.942 -0.270) 5.959 6.838 ( -4.313 -2.462 3.134) 5.873 7.032 ( 6.307 -1.634 3.451) 7.373 7.670 ( 2.862 -5.774 -0.857) 6.501 7.904 ( -6.693 -4.214 0.936) 7.964 8.596 ( 0.953 -17.099 17.171) 24.252 9.861 ( 0.280 -1.915 2.055) 2.823 10.185 ( 0.219 -1.965 1.142) 2.283 10.395 ( -1.030 1.707 -0.506) 2.057 11.471 ( 9.358 8.985 -10.155) 16.475 11.551 ( -8.639 0.794 0.383) 8.684 12.246 ( 0.046 5.487 -5.304) 7.632 16.030 ( -0.577 -2.858 6.743) 7.346 16.772 ( 0.931 10.065 -10.465) 14.550 19.253 ( 0.054 4.688 -4.632) 6.591 19.323 ( -0.154 -0.975 0.564) 1.137 19.753 ( 0.305 12.521 8.645) 15.218 20.211 ( -0.394 -20.128 -1.925) 20.224 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 6.238 -1.347 5.352) 8.329 2.561 ( -4.004 6.589 -7.617) 10.839 2.679 ( 4.484 -9.047 7.511) 12.584 2.753 ( -4.895 3.640 0.820) 6.155 3.089 ( -1.674 -2.174 -3.756) 4.652 3.249 ( 0.684 -1.331 -2.163) 2.630 6.613 ( -1.476 -3.198 2.824) 4.514 6.785 ( -1.804 -0.996 3.165) 3.776 7.117 ( 2.007 -0.193 0.911) 2.213 7.695 ( 5.900 -4.517 1.119) 7.515 7.730 ( -7.936 -5.085 3.246) 9.968 8.656 ( 6.578 -9.852 18.218) 21.731 9.878 ( 1.321 -0.684 2.695) 3.078 10.187 ( 1.157 -1.714 1.014) 2.304 10.388 ( -1.782 2.309 -0.502) 2.960 11.299 ( -14.947 3.369 -5.636) 16.326 11.721 ( 12.766 3.200 -4.968) 14.067 12.222 ( -2.899 2.644 -6.629) 7.703 16.051 ( 1.639 -2.931 5.751) 6.659 16.775 ( -2.062 7.026 -11.073) 13.275 19.312 ( 3.625 2.290 -3.167) 5.331 19.325 ( 2.917 1.126 -1.898) 3.658 19.895 ( -2.273 8.123 -3.250) 9.040 20.006 ( -3.375 -13.775 11.852) 18.483 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 7.699 -6.535 0.756) 10.126 2.511 ( -3.410 5.536 -1.907) 6.776 2.678 ( 0.326 -9.032 6.451) 11.104 2.743 ( -2.546 8.064 -1.778) 8.641 3.012 ( -1.830 -1.784 -4.879) 5.508 3.230 ( 0.770 -2.465 -1.537) 3.005 6.578 ( -2.562 -0.954 3.567) 4.494 6.809 ( 0.967 1.758 4.407) 4.842 7.091 ( -3.847 -0.359 -2.102) 4.399 7.616 ( -2.856 -1.926 2.205) 4.090 7.797 ( 6.685 -0.903 3.365) 7.539 8.811 ( 5.145 -2.733 15.493) 16.552 9.914 ( 0.619 0.736 1.942) 2.167 10.199 ( 1.265 -1.146 0.271) 1.728 10.377 ( -1.884 2.272 -0.110) 2.953 11.061 ( -10.694 0.767 -4.694) 11.704 11.907 ( 10.238 0.456 -2.877) 10.645 12.123 ( -4.775 -0.294 -7.030) 8.503 16.093 ( 2.481 -2.146 3.423) 4.741 16.715 ( -2.463 2.303 -7.828) 8.523 19.323 ( -0.097 -0.023 0.803) 0.809 19.427 ( 7.966 -1.384 -9.304) 12.326 19.750 ( -2.023 -7.817 -3.354) 8.744 20.061 ( -5.457 9.093 14.376) 17.865 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 5.122 2.470 1.608) 5.910 2.420 ( -9.966 5.476 4.758) 12.327 2.655 ( 0.373 -0.388 3.956) 3.993 2.872 ( 0.005 -4.304 -4.367) 6.132 3.031 ( 2.447 -3.502 2.365) 4.883 3.211 ( 2.678 -0.100 0.909) 2.830 6.674 ( 0.630 -0.697 -3.008) 3.151 6.858 ( -0.396 -2.090 -4.332) 4.826 7.120 ( -0.986 -0.822 0.187) 1.297 7.729 ( 4.406 0.501 -2.739) 5.212 7.820 ( -0.552 -5.397 -5.844) 7.974 9.021 ( 6.659 -1.309 -19.213) 20.377 9.931 ( 1.156 0.338 -2.652) 2.913 10.213 ( 2.183 -1.315 -1.947) 3.206 10.389 ( -2.873 -0.539 -0.722) 3.012 11.182 ( -8.760 -9.057 6.296) 14.085 11.625 ( 5.369 12.709 4.893) 14.638 12.078 ( -1.917 -1.400 8.491) 8.817 16.149 ( 0.421 -2.088 -3.950) 4.487 16.574 ( -2.465 4.022 9.297) 10.425 19.199 ( -0.307 6.094 5.987) 8.549 19.345 ( 0.130 -0.564 -1.411) 1.525 19.715 ( 2.478 -2.624 11.402) 11.960 20.334 ( -0.747 -3.312 -17.994) 18.312 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -10.747 2.942 5.996) 12.653 2.398 ( 5.216 5.916 0.481) 7.902 2.627 ( -3.556 -1.698 2.289) 4.557 2.851 ( 3.247 -3.208 -1.722) 4.879 3.061 ( 4.072 -3.784 0.594) 5.590 3.250 ( 0.908 0.526 0.710) 1.267 6.649 ( 1.926 -4.632 -3.125) 5.910 6.817 ( -0.086 0.088 -3.498) 3.500 7.075 ( -2.649 -3.704 2.536) 5.213 7.693 ( 0.282 -7.771 -2.686) 8.227 7.845 ( 4.577 3.580 -2.058) 6.165 8.952 ( -0.005 -7.424 -8.446) 11.245 9.918 ( -0.688 -1.297 -1.545) 2.132 10.237 ( 1.698 -1.206 0.092) 2.084 10.346 ( -0.384 0.053 -0.742) 0.837 11.034 ( -2.409 -2.962 -0.482) 3.848 11.839 ( 1.526 10.163 4.257) 11.123 12.093 ( 0.398 0.052 4.741) 4.758 16.124 ( -0.746 -1.011 0.823) 1.502 16.626 ( -0.639 4.958 2.533) 5.604 19.314 ( -0.305 4.286 2.709) 5.079 19.354 ( 1.471 6.013 3.431) 7.077 19.724 ( -5.780 -0.293 5.622) 8.069 20.196 ( 5.198 -11.678 -13.364) 18.493 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -7.824 1.123 4.470) 9.081 2.535 ( 2.504 1.849 5.841) 6.618 2.574 ( 0.112 1.201 -5.555) 5.685 2.871 ( 1.142 -1.218 2.446) 2.961 3.090 ( 3.705 -4.092 -0.678) 5.561 3.258 ( -0.588 0.616 -0.469) 0.972 6.618 ( 1.947 -5.326 -0.924) 5.746 6.825 ( 3.099 -0.031 -1.037) 3.268 6.998 ( -3.805 -4.521 3.301) 6.769 7.621 ( 0.449 -5.300 -1.558) 5.542 7.939 ( 3.393 2.167 0.075) 4.027 8.773 ( -7.219 -13.167 5.049) 15.842 9.879 ( -1.187 -1.697 0.191) 2.080 10.224 ( -1.906 -1.396 2.213) 3.237 10.371 ( 2.579 -0.091 -0.394) 2.610 11.064 ( 7.837 4.771 -7.989) 12.166 11.879 ( -6.282 2.160 3.972) 7.741 12.173 ( 3.657 5.125 -1.447) 6.460 16.105 ( -2.454 -1.607 5.318) 6.073 16.687 ( 2.259 6.709 -5.562) 9.003 19.317 ( -0.235 -0.354 0.295) 0.517 19.451 ( -7.850 9.825 0.191) 12.578 19.698 ( 1.189 4.688 7.263) 8.726 20.096 ( 6.367 -16.921 -7.546) 19.591 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.877 -1.167 3.647) 4.790 2.542 ( 1.901 -7.532 5.646) 9.603 2.622 ( 0.576 7.877 -7.883) 11.159 2.892 ( -1.479 1.449 4.629) 5.071 3.089 ( 1.994 -4.568 -1.536) 5.215 3.242 ( -0.820 0.328 -2.062) 2.243 6.609 ( 1.254 -2.219 1.678) 3.052 6.901 ( 0.030 -0.682 2.383) 2.479 6.918 ( 2.857 -4.734 3.484) 6.536 7.586 ( 0.926 -3.526 0.441) 3.673 7.967 ( -2.509 -0.786 0.998) 2.812 8.590 ( -4.873 -13.055 15.727) 21.012 9.860 ( -0.265 -0.893 1.754) 1.986 10.193 ( -1.698 -1.365 2.449) 3.278 10.404 ( 1.267 0.544 -0.096) 1.382 11.252 ( 13.606 7.086 -10.503) 18.592 11.758 ( -10.743 -0.193 0.732) 10.769 12.248 ( 1.472 4.805 -5.364) 7.350 16.079 ( -2.837 -2.698 7.425) 8.394 16.749 ( 3.084 7.339 -11.557) 14.033 19.310 ( -1.756 0.849 -0.175) 1.958 19.350 ( -6.097 3.780 -3.568) 8.012 19.890 ( 2.722 10.592 2.198) 11.155 19.982 ( 4.576 -18.084 3.976) 19.073 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.915 -4.141 2.757) 5.330 2.527 ( 2.898 -12.043 4.682) 13.242 2.640 ( -1.042 8.114 -7.308) 10.969 2.907 ( -4.003 5.371 4.401) 8.015 3.053 ( 0.169 -3.839 -2.442) 4.553 3.210 ( -0.199 -1.618 -3.457) 3.822 6.636 ( 0.183 1.105 3.476) 3.652 6.834 ( -3.202 -2.427 3.867) 5.576 7.045 ( 7.227 -1.414 3.333) 8.083 7.595 ( 2.452 -2.541 3.162) 4.740 7.852 ( -8.432 -3.953 3.788) 10.054 8.603 ( 3.828 -7.737 20.570) 22.308 9.874 ( 0.738 0.046 2.768) 2.865 10.178 ( -0.438 -0.889 1.740) 2.002 10.423 ( -0.101 1.573 -0.052) 1.577 11.484 ( 12.297 6.287 -10.721) 17.484 11.539 ( -12.300 -1.363 -1.939) 12.526 12.240 ( -1.681 2.868 -7.870) 8.543 16.061 ( -1.341 -3.246 7.367) 8.161 16.765 ( 0.848 5.402 -13.961) 14.994 19.267 ( -0.923 3.313 -5.279) 6.300 19.330 ( -0.334 0.228 1.329) 1.389 19.791 ( 0.696 -12.512 -9.526) 15.741 20.141 ( 1.231 7.482 17.140) 18.742 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 4.589 -8.467 1.029) 9.685 2.487 ( 3.881 -10.228 2.303) 11.179 2.636 ( -1.944 0.996 -2.398) 3.244 2.930 ( -5.158 10.161 2.848) 11.746 2.994 ( -1.106 -1.614 -3.682) 4.169 3.165 ( 1.089 -3.957 -3.943) 5.692 6.649 ( -2.841 0.549 3.949) 4.896 6.830 ( 1.061 0.653 3.693) 3.897 7.120 ( 0.118 -0.490 1.004) 1.124 7.644 ( 0.823 -1.945 5.132) 5.549 7.756 ( -0.724 -0.377 6.062) 6.117 8.791 ( 7.433 -3.010 22.689) 24.064 9.916 ( 1.345 0.952 2.641) 3.113 10.183 ( 0.537 0.030 0.750) 0.923 10.431 ( -1.336 2.283 0.434) 2.680 11.248 ( -14.930 -0.198 -7.498) 16.708 11.692 ( 12.091 0.741 -6.116) 13.570 12.156 ( -4.101 1.490 -8.768) 9.794 16.070 ( 0.798 -3.028 6.262) 7.001 16.705 ( -1.567 1.553 -12.729) 12.918 19.274 ( 2.415 -0.395 -6.542) 6.984 19.337 ( 0.252 0.654 0.949) 1.179 19.644 ( 1.268 -8.366 -6.570) 10.713 20.312 ( -2.669 8.738 15.189) 17.725 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.000 0.000 15.666) 15.666 1.701 ( -0.000 0.000 15.666) 15.666 2.750 ( -0.000 0.000 23.873) 23.873 2.802 ( 0.000 -0.000 -1.114) 1.114 2.802 ( 0.000 -0.000 -1.114) 1.114 3.475 ( 0.000 -0.000 -3.775) 3.775 6.799 ( -0.000 0.000 5.296) 5.296 6.799 ( -0.000 0.000 5.296) 5.296 7.282 ( -0.000 0.000 2.449) 2.449 7.997 ( -0.000 0.000 1.579) 1.579 7.997 ( -0.000 0.000 1.579) 1.579 9.873 ( 0.000 -0.000 -7.823) 7.823 10.346 ( -0.000 0.000 0.544) 0.544 10.346 ( -0.000 0.000 0.544) 0.544 10.955 ( 0.000 -0.000 -7.349) 7.349 10.955 ( 0.000 -0.000 -7.349) 7.349 11.333 ( -0.000 0.000 1.129) 1.129 11.439 ( -0.000 0.000 0.606) 0.606 16.097 ( -0.000 0.000 4.065) 4.065 16.097 ( -0.000 0.000 4.065) 4.065 18.995 ( 0.000 -0.000 -2.127) 2.127 18.995 ( 0.000 -0.000 -2.127) 2.127 19.450 ( -0.000 0.000 0.162) 0.162 21.352 ( 0.000 -0.000 -0.785) 0.785 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.562 -0.587 16.763) 16.783 1.933 ( 6.412 4.092 10.775) 13.189 2.749 ( -4.730 2.693 3.179) 6.303 2.803 ( 2.492 -2.318 0.759) 3.487 2.948 ( 3.902 0.973 13.100) 13.704 3.434 ( -1.505 -0.958 -3.800) 4.198 6.800 ( -1.486 -1.325 4.811) 5.207 6.870 ( 1.860 1.563 4.044) 4.718 7.265 ( -2.635 -1.250 2.059) 3.570 7.944 ( -3.073 -3.170 1.260) 4.592 8.038 ( 0.639 1.542 0.188) 1.679 9.777 ( -4.214 -2.866 -6.601) 8.339 10.276 ( -6.080 -0.002 0.092) 6.081 10.387 ( 1.172 0.482 0.753) 1.475 10.689 ( -0.184 -24.703 -3.034) 24.889 10.895 ( -11.905 14.012 -7.065) 19.697 11.408 ( 4.005 4.706 -0.750) 6.225 11.621 ( 11.160 4.576 0.329) 12.066 16.098 ( 0.833 0.205 5.035) 5.108 16.185 ( 2.440 2.117 1.838) 3.717 18.951 ( -0.829 0.312 -0.599) 1.069 19.110 ( 8.999 4.397 -2.679) 10.368 19.440 ( -0.853 -0.526 -0.089) 1.006 21.254 ( -7.864 -4.880 -0.737) 9.284 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 4.107 2.557 17.037) 17.711 2.112 ( 4.980 2.467 4.437) 7.112 2.730 ( -3.554 3.979 2.786) 6.019 2.844 ( 3.311 -0.259 -0.197) 3.327 3.075 ( 2.409 -1.061 9.979) 10.320 3.358 ( -2.940 -1.709 -4.070) 5.303 6.779 ( -2.174 -2.351 3.637) 4.846 6.930 ( 0.922 1.893 1.249) 2.449 7.206 ( -3.631 -1.569 0.833) 4.042 7.858 ( -3.144 -4.602 0.778) 5.627 8.043 ( -1.267 1.472 -1.600) 2.516 9.591 ( -7.785 -6.808 -6.252) 12.085 10.144 ( -7.164 -2.509 -1.972) 7.842 10.363 ( -1.029 -3.485 -2.144) 4.219 10.514 ( -0.104 -9.096 -3.862) 9.882 10.853 ( -0.875 6.540 1.869) 6.858 11.511 ( 1.526 7.455 -2.164) 7.911 11.824 ( 8.020 2.720 2.964) 8.973 16.187 ( 3.759 2.351 6.697) 8.031 16.234 ( 1.054 1.393 -1.441) 2.264 18.968 ( 1.295 1.735 1.691) 2.747 19.322 ( 11.461 5.790 -2.232) 13.033 19.413 ( -1.083 -0.725 -0.542) 1.411 21.005 ( -12.789 -8.299 -1.742) 15.345 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 7.073 4.570 15.141) 17.325 2.197 ( 2.866 -0.132 -1.249) 3.129 2.737 ( -2.977 3.567 3.729) 5.957 2.889 ( 2.518 0.418 -2.623) 3.660 3.133 ( -0.200 -2.143 6.728) 7.064 3.264 ( -2.994 -1.215 -3.668) 4.888 6.728 ( -2.686 -3.056 1.717) 4.416 6.945 ( -1.464 2.214 -1.789) 3.201 7.137 ( -2.045 -2.412 -0.791) 3.260 7.766 ( -2.342 -5.348 -0.218) 5.842 8.007 ( -3.293 2.013 -2.644) 4.678 9.303 ( -10.295 -9.978 -10.982) 18.059 9.999 ( -3.991 -3.416 -3.370) 6.241 10.298 ( -1.088 -3.148 -3.424) 4.777 10.419 ( -3.638 2.458 -3.901) 5.873 11.008 ( 9.903 -0.688 9.975) 14.073 11.561 ( -2.666 7.748 -1.922) 8.416 11.989 ( 5.660 2.257 5.638) 8.302 16.225 ( -1.550 1.774 -4.623) 5.189 16.349 ( 6.690 2.133 9.008) 11.422 19.045 ( 2.927 2.656 3.904) 5.556 19.373 ( -1.138 -0.786 -1.211) 1.838 19.569 ( 10.757 5.849 0.290) 12.248 20.666 ( -14.336 -9.632 -4.890) 17.950 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.568 -2.414 -3.325) 4.148 2.381 ( 8.914 5.951 11.496) 15.717 2.710 ( -4.293 -2.763 1.381) 5.288 2.891 ( -0.264 2.766 -5.980) 6.594 3.108 ( -3.537 -1.324 3.099) 4.885 3.218 ( -0.624 -0.799 0.830) 1.311 6.665 ( -1.616 -2.184 -0.896) 2.861 6.904 ( -3.738 2.478 -3.616) 5.761 7.087 ( 1.017 -4.582 -2.113) 5.147 7.675 ( -1.592 -5.239 -1.671) 5.725 7.942 ( -5.572 3.533 -2.925) 7.217 8.938 ( -9.833 -9.547 -18.188) 22.774 9.910 ( -1.310 -1.868 -2.893) 3.685 10.225 ( -2.327 -0.690 -3.131) 3.962 10.399 ( -0.050 1.972 -1.020) 2.221 11.254 ( 12.500 -3.419 12.154) 17.767 11.558 ( -5.357 7.846 -0.427) 9.510 12.127 ( 3.293 2.351 7.229) 8.285 16.161 ( -2.839 0.460 -6.782) 7.366 16.555 ( 7.060 2.569 11.671) 13.880 19.156 ( 3.384 2.888 5.244) 6.877 19.343 ( -0.580 -0.377 -1.447) 1.604 19.781 ( 5.643 3.328 6.023) 8.899 20.309 ( -10.420 -7.659 -11.991) 17.636 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.155 -2.588 14.126) 14.362 2.026 ( -0.150 9.599 9.459) 13.477 2.735 ( 1.956 -3.800 1.155) 4.427 2.815 ( -0.653 1.790 -1.323) 2.319 3.041 ( -0.971 2.448 13.728) 13.978 3.414 ( -0.026 -1.262 -3.729) 3.937 6.842 ( -0.709 -0.744 4.435) 4.553 6.883 ( 0.748 0.901 3.460) 3.653 7.267 ( 0.228 -4.550 1.826) 4.908 7.976 ( -1.936 -2.094 1.277) 3.125 8.015 ( 1.740 -0.889 -0.551) 2.030 9.725 ( -0.426 -7.424 -5.117) 9.027 10.297 ( 5.451 -6.961 2.477) 9.182 10.358 ( -2.305 -1.362 1.303) 2.978 10.517 ( -9.166 -20.795 -4.402) 23.148 11.011 ( 6.337 9.038 -6.722) 12.924 11.383 ( 0.711 3.241 0.200) 3.324 11.653 ( -0.838 16.009 -1.054) 16.066 16.084 ( -0.011 -3.137 4.557) 5.532 16.244 ( 0.302 7.650 1.141) 7.741 19.005 ( 3.023 5.236 -0.344) 6.056 19.037 ( -3.039 4.720 -2.605) 6.189 19.439 ( -0.024 -1.259 -0.059) 1.261 21.248 ( -0.214 -9.700 -0.465) 9.713 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 4.485 0.100 14.099) 14.795 2.157 ( -0.568 8.624 3.586) 9.357 2.752 ( 2.655 -2.281 0.845) 3.601 2.824 ( 0.212 2.865 -1.154) 3.096 3.115 ( -0.376 -0.421 9.901) 9.917 3.362 ( -1.847 -1.385 -3.589) 4.267 6.826 ( -2.639 -1.635 3.691) 4.823 6.930 ( 1.440 0.461 1.055) 1.844 7.218 ( -1.249 -5.386 1.013) 5.621 7.894 ( -4.472 -3.871 1.638) 6.138 8.029 ( 1.246 -1.099 -2.072) 2.655 9.555 ( -4.162 -14.818 -2.370) 15.573 10.182 ( -5.555 -15.590 -0.004) 16.550 10.310 ( -0.377 -1.900 -0.973) 2.167 10.376 ( 5.024 -4.321 2.663) 7.142 11.006 ( -8.046 7.994 -5.814) 12.746 11.514 ( 7.639 6.806 -1.984) 10.421 11.810 ( 2.173 12.233 0.102) 12.425 16.115 ( 3.448 -2.961 4.577) 6.451 16.322 ( -0.877 9.100 -0.964) 9.193 19.023 ( -1.929 6.271 0.449) 6.576 19.184 ( 9.553 6.977 -1.877) 11.978 19.416 ( -0.799 -1.676 -0.258) 1.875 21.066 ( -7.388 -13.452 -0.324) 15.350 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 6.409 1.228 9.473) 11.503 2.222 ( -1.063 6.656 2.138) 7.072 2.772 ( 1.376 -2.628 -0.316) 2.983 2.858 ( 0.922 3.781 -2.036) 4.392 3.149 ( 0.087 -2.649 6.637) 7.146 3.289 ( -2.970 -0.411 -3.007) 4.246 6.770 ( -3.884 -2.862 2.843) 5.600 6.944 ( 1.117 -1.369 -1.802) 2.524 7.139 ( -2.893 -3.956 -0.907) 4.984 7.785 ( -4.820 -4.664 1.938) 6.982 8.011 ( 0.423 -1.610 -2.955) 3.391 9.286 ( -7.797 -16.176 -2.546) 18.137 10.003 ( -3.585 -6.057 -1.532) 7.203 10.277 ( -1.014 -0.384 -1.902) 2.190 10.423 ( 2.457 -3.247 0.482) 4.100 10.945 ( -0.831 1.966 1.283) 2.490 11.674 ( 2.357 10.761 -3.373) 11.521 11.958 ( 4.216 5.976 3.104) 7.945 16.173 ( 3.279 -2.356 0.667) 4.092 16.395 ( 0.486 8.416 1.510) 8.565 19.089 ( 0.660 7.302 2.538) 7.758 19.369 ( 0.465 -0.615 -1.020) 1.279 19.433 ( 9.978 6.280 -1.327) 11.865 20.756 ( -12.190 -15.197 -1.029) 19.509 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.291 2.538 -4.367) 5.060 2.377 ( 6.433 4.203 12.154) 14.379 2.717 ( -2.049 -5.000 -4.545) 7.061 2.889 ( 0.297 3.366 -3.251) 4.689 3.148 ( -1.203 -3.638 3.942) 5.498 3.236 ( -1.543 0.975 -0.694) 1.953 6.685 ( -3.815 -3.418 1.087) 5.237 6.926 ( 1.235 -2.884 -2.777) 4.189 7.035 ( -4.156 -2.535 -2.942) 5.688 7.675 ( -4.039 -4.447 1.085) 6.104 7.986 ( 0.047 -0.747 -2.249) 2.371 8.955 ( -12.653 -9.377 -8.906) 18.092 9.907 ( -2.307 -1.871 -1.902) 3.527 10.240 ( -1.854 0.400 -2.717) 3.314 10.408 ( -0.446 -0.495 -1.364) 1.518 11.051 ( 10.414 -5.546 9.081) 14.888 11.748 ( -3.598 11.476 -2.662) 12.318 12.109 ( 5.720 2.345 4.935) 7.910 16.161 ( -1.349 0.191 -5.563) 5.728 16.542 ( 5.765 4.315 7.944) 10.722 19.207 ( 1.354 8.491 4.011) 9.488 19.341 ( -0.745 -0.919 -0.747) 1.399 19.675 ( 11.588 5.547 -1.746) 12.965 20.373 ( -14.262 -14.971 -2.459) 20.823 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -4.020 -0.283 12.891) 13.506 2.176 ( -0.201 9.401 5.325) 10.807 2.688 ( 0.261 -4.306 2.954) 5.228 2.836 ( -1.288 1.871 -1.346) 2.641 3.151 ( -0.819 1.593 8.827) 9.007 3.358 ( 2.053 -1.783 -4.270) 5.062 6.850 ( 2.496 -0.088 3.999) 4.715 6.903 ( -1.018 -1.160 0.698) 1.694 7.208 ( 1.365 -6.086 1.342) 6.380 7.942 ( 4.103 -0.404 0.154) 4.125 7.991 ( -1.184 -3.995 -0.783) 4.240 9.585 ( 2.810 -12.114 -3.375) 12.885 10.140 ( 3.372 -10.096 1.181) 10.710 10.353 ( -0.878 -3.717 -2.067) 4.343 10.484 ( -3.961 -10.501 -2.379) 11.472 10.913 ( 8.100 10.913 -2.579) 13.833 11.463 ( -3.140 5.381 0.728) 6.273 11.826 ( -3.421 11.341 -0.374) 11.851 16.112 ( -3.138 -3.151 4.534) 6.351 16.313 ( 0.958 8.546 -0.264) 8.603 18.999 ( 1.444 4.914 1.058) 5.230 19.208 ( -8.963 8.183 -2.412) 12.374 19.417 ( 0.755 -1.583 -0.317) 1.782 21.076 ( 6.978 -12.754 -0.915) 14.567 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.818 1.253 11.494) 11.591 2.284 ( -1.209 9.905 -0.316) 9.984 2.699 ( 2.195 -2.772 4.603) 5.804 2.828 ( -0.146 1.345 -1.918) 2.347 3.182 ( -1.605 -0.755 6.170) 6.420 3.337 ( 0.523 -1.514 -4.102) 4.403 6.869 ( -1.296 -1.690 1.894) 2.850 6.904 ( 1.102 -1.194 0.314) 1.655 7.168 ( 0.804 -7.099 2.282) 7.500 7.914 ( -1.312 -5.383 -0.843) 5.604 7.984 ( 0.863 -0.889 -0.131) 1.246 9.425 ( -1.437 -21.221 2.623) 21.430 10.065 ( 0.389 -13.210 2.657) 13.480 10.294 ( 1.376 -3.527 -0.461) 3.814 10.361 ( -4.298 -0.734 1.346) 4.563 11.120 ( 3.953 11.121 -8.156) 14.346 11.457 ( -0.734 3.700 0.709) 3.838 11.920 ( 0.268 13.052 -2.348) 13.265 16.092 ( -0.003 -2.503 5.279) 5.842 16.402 ( 0.441 9.787 -3.458) 10.390 19.080 ( 1.379 4.929 -3.352) 6.119 19.203 ( -1.349 11.760 2.670) 12.134 19.403 ( -0.058 -1.951 -0.124) 1.956 20.982 ( -0.342 -16.909 -0.246) 16.915 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 4.247 2.575 8.161) 9.554 2.322 ( -1.814 7.619 -3.382) 8.531 2.729 ( -0.132 -1.642 1.577) 2.281 2.846 ( 2.433 0.704 -0.764) 2.646 3.170 ( -1.425 -2.705 4.312) 5.286 3.298 ( -0.824 -0.616 -3.548) 3.695 6.832 ( -3.518 -1.986 2.923) 4.987 6.869 ( 0.783 -5.774 -2.981) 6.545 7.138 ( -0.405 -3.042 1.460) 3.398 7.834 ( -3.125 -4.578 1.854) 5.845 7.955 ( -0.283 -3.499 -2.137) 4.109 9.210 ( -2.766 -20.880 7.133) 22.237 9.978 ( -0.847 -6.630 1.767) 6.914 10.299 ( -0.857 -2.008 0.650) 2.278 10.327 ( 2.474 -1.742 1.348) 3.313 11.089 ( -9.920 8.278 -5.943) 14.222 11.598 ( 10.842 4.744 -2.364) 12.068 12.020 ( -0.118 9.699 -1.963) 9.897 16.119 ( 1.929 -2.322 4.119) 5.107 16.472 ( 0.007 9.692 -4.559) 10.710 19.136 ( 2.901 6.268 -3.235) 7.627 19.351 ( 1.352 3.753 1.631) 4.310 19.401 ( 1.826 6.262 1.831) 6.775 20.748 ( -6.564 -18.858 0.310) 19.970 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.460 6.065 -2.446) 6.556 2.385 ( 4.167 2.882 4.818) 6.992 2.673 ( -2.487 -2.299 -4.994) 6.034 2.885 ( 1.146 -0.038 -0.192) 1.163 3.143 ( -0.713 -4.281 2.990) 5.270 3.261 ( -1.030 0.573 -1.992) 2.314 6.731 ( -4.920 -5.239 1.706) 7.387 6.831 ( 1.877 -4.437 -1.179) 4.960 7.092 ( -3.823 0.135 -1.471) 4.099 7.732 ( -5.857 -4.218 3.186) 7.890 7.919 ( 2.705 -4.000 -2.165) 5.292 9.016 ( -7.100 -11.502 4.099) 14.125 9.922 ( -1.949 -2.028 0.448) 2.848 10.263 ( -1.875 0.341 -1.333) 2.326 10.365 ( 2.878 -3.430 1.206) 4.637 10.996 ( -2.911 2.219 0.585) 3.707 11.795 ( 7.007 6.371 -3.597) 10.130 12.086 ( 1.519 4.300 -0.224) 4.566 16.141 ( 0.602 -0.890 -0.687) 1.275 16.550 ( 2.531 6.525 -0.349) 7.008 19.262 ( 5.192 8.338 -2.159) 10.057 19.343 ( -0.517 -0.862 0.444) 1.099 19.577 ( 4.860 8.758 0.974) 10.063 20.424 ( -10.741 -18.337 1.648) 21.315 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -7.166 1.209 9.449) 11.921 2.269 ( 1.503 7.977 1.708) 8.295 2.684 ( -1.750 -4.308 4.356) 6.371 2.872 ( -1.352 1.824 -1.729) 2.854 3.205 ( 1.317 -0.184 5.133) 5.302 3.264 ( 2.575 -1.833 -4.293) 5.331 6.808 ( 4.723 -0.882 2.900) 5.612 6.886 ( -0.492 -3.886 -2.303) 4.544 7.145 ( 0.605 -3.849 0.656) 3.951 7.862 ( 4.603 -0.231 -0.873) 4.691 7.944 ( 0.540 -5.720 -0.974) 5.828 9.346 ( 7.786 -12.810 -6.794) 16.458 10.013 ( 2.705 -5.227 -1.880) 6.178 10.325 ( -2.170 -4.339 -2.120) 5.294 10.375 ( 6.346 -0.182 -3.415) 7.208 10.984 ( -6.659 1.968 4.418) 8.230 11.561 ( 0.720 8.731 1.488) 8.887 11.979 ( -4.500 5.705 2.449) 7.668 16.155 ( -2.079 -2.655 0.998) 3.516 16.399 ( -1.873 7.942 2.458) 8.522 19.067 ( -1.187 6.112 3.578) 7.181 19.374 ( 0.276 -0.850 -1.014) 1.351 19.447 ( -9.904 7.267 -2.090) 12.460 20.773 ( 12.010 -14.066 -2.427) 18.654 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -3.367 1.857 8.768) 9.574 2.360 ( 0.230 8.532 -5.924) 10.390 2.682 ( 1.796 -2.765 7.681) 8.359 2.851 ( -2.190 1.150 -0.801) 2.600 3.227 ( -1.095 -1.394 3.376) 3.813 3.260 ( 2.709 -1.858 -4.888) 5.889 6.825 ( 0.549 -5.291 -2.726) 5.977 6.894 ( 2.859 -0.052 3.050) 4.181 7.105 ( 0.065 -6.193 2.470) 6.668 7.836 ( 0.862 -6.891 -3.117) 7.612 7.966 ( 2.225 -0.306 1.677) 2.803 9.240 ( 1.345 -20.449 2.598) 20.658 9.975 ( 0.572 -6.736 1.174) 6.861 10.257 ( -0.734 -2.647 -0.006) 2.747 10.409 ( -0.747 -1.471 1.271) 2.083 11.025 ( 7.645 7.171 -6.458) 12.311 11.615 ( -7.056 6.767 2.834) 10.179 12.008 ( -0.224 8.921 -2.171) 9.184 16.122 ( -1.606 -1.921 4.902) 5.505 16.460 ( -0.001 9.041 -4.119) 9.935 19.123 ( -2.168 6.357 -0.609) 6.744 19.355 ( -1.268 2.296 0.213) 2.631 19.409 ( -2.495 7.537 0.863) 7.986 20.756 ( 6.121 -18.598 -0.990) 19.605 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.274 2.031 7.506) 7.879 2.369 ( -0.949 7.637 -11.215) 13.602 2.770 ( 2.127 -0.525 9.768) 10.011 2.802 ( -2.108 -0.700 -2.976) 3.713 3.194 ( -2.008 -2.822 1.518) 3.782 3.255 ( 1.740 -0.977 -4.048) 4.513 6.768 ( 1.158 -6.006 -2.562) 6.631 6.900 ( -3.431 -1.664 2.738) 4.694 7.100 ( 2.916 -3.579 3.032) 5.523 7.779 ( 2.086 -6.176 -1.371) 6.661 7.966 ( -2.790 -1.991 1.310) 3.670 9.083 ( 0.133 -21.488 11.939) 24.582 9.938 ( 0.416 -4.959 2.773) 5.697 10.243 ( 1.173 -2.932 1.902) 3.686 10.373 ( -2.947 0.353 1.057) 3.150 11.210 ( 6.186 10.473 -10.601) 16.135 11.531 ( -5.505 2.181 1.275) 6.057 12.083 ( 0.615 8.220 -4.321) 9.307 16.120 ( -0.639 -2.129 6.078) 6.472 16.518 ( 0.733 9.627 -8.295) 12.729 19.127 ( -0.165 5.023 -4.456) 6.717 19.354 ( 0.038 -1.592 0.685) 1.734 19.526 ( 0.033 14.299 4.350) 14.946 20.614 ( 0.063 -20.652 0.751) 20.665 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.671 3.911 4.011) 6.697 2.359 ( 0.399 5.611 -9.499) 11.040 2.709 ( -4.741 0.389 -3.746) 6.055 2.855 ( 2.077 -2.738 5.808) 6.749 3.133 ( -1.671 -4.206 0.048) 4.526 3.250 ( 0.801 -0.278 -2.319) 2.469 6.714 ( -0.003 -5.811 -0.218) 5.815 6.833 ( -3.543 -1.725 3.335) 5.162 7.123 ( -0.218 -0.364 0.087) 0.433 7.777 ( 2.885 -3.736 1.965) 5.113 7.854 ( -5.970 -5.380 0.834) 8.080 9.004 ( 0.316 -14.334 14.539) 20.419 9.926 ( 0.154 -2.532 2.793) 3.773 10.249 ( 1.498 -3.833 2.063) 4.604 10.346 ( -1.776 1.651 0.258) 2.438 11.161 ( -11.440 6.887 -6.216) 14.729 11.635 ( 12.425 2.795 -3.326) 13.163 12.115 ( -0.774 4.688 -5.069) 6.948 16.130 ( -0.001 -1.787 3.859) 4.252 16.566 ( 1.259 7.849 -7.696) 11.064 19.189 ( 5.633 5.150 -5.434) 9.369 19.343 ( -0.286 -1.190 0.974) 1.565 19.680 ( -0.685 12.463 1.769) 12.606 20.393 ( -4.794 -18.990 4.915) 20.193 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -0.000 0.000 9.152) 9.152 1.941 ( -0.000 0.000 9.152) 9.152 2.776 ( 0.000 -0.000 -1.448) 1.448 2.776 ( 0.000 -0.000 -1.448) 1.448 3.116 ( -0.000 0.000 14.429) 14.429 3.404 ( 0.000 -0.000 -3.828) 3.828 6.887 ( -0.000 0.000 3.572) 3.572 6.887 ( -0.000 0.000 3.572) 3.572 7.321 ( -0.000 0.000 1.485) 1.485 8.014 ( -0.000 0.000 0.344) 0.344 8.014 ( -0.000 0.000 0.344) 0.344 9.751 ( 0.000 -0.000 -4.679) 4.679 10.368 ( -0.000 0.000 1.558) 1.558 10.368 ( -0.000 0.000 1.558) 1.558 10.828 ( 0.000 -0.000 -5.441) 5.441 10.828 ( 0.000 -0.000 -5.441) 5.441 11.347 ( -0.000 0.000 0.393) 0.393 11.451 ( -0.000 0.000 0.522) 0.522 16.160 ( -0.000 0.000 2.415) 2.415 16.160 ( -0.000 0.000 2.415) 2.415 18.962 ( 0.000 -0.000 -1.292) 1.292 18.962 ( 0.000 -0.000 -1.292) 1.292 19.452 ( -0.000 0.000 0.086) 0.086 21.340 ( 0.000 -0.000 -0.455) 0.455 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 1.639 2.223 10.532) 10.888 2.059 ( 3.908 0.867 2.036) 4.491 2.759 ( -1.009 1.520 0.333) 1.854 2.786 ( 1.771 -0.298 -1.794) 2.539 3.196 ( 0.112 -0.539 10.270) 10.285 3.360 ( -1.720 -0.871 -4.252) 4.668 6.880 ( -1.502 -1.519 3.333) 3.959 6.923 ( 0.389 0.937 1.203) 1.574 7.292 ( -3.106 -1.631 0.689) 3.575 7.967 ( -3.080 -2.546 1.256) 4.188 8.027 ( -0.141 0.519 -1.162) 1.280 9.682 ( -4.030 -2.653 -3.134) 5.753 10.296 ( -6.972 -1.621 2.084) 7.455 10.384 ( -1.060 -1.060 -1.337) 2.009 10.623 ( -5.874 -15.162 -4.833) 16.963 10.810 ( -1.807 8.752 -0.225) 8.939 11.395 ( 3.266 2.944 -0.534) 4.430 11.630 ( 11.694 5.886 0.548) 13.103 16.185 ( 2.338 1.379 3.918) 4.766 16.196 ( 0.668 0.512 -0.724) 1.111 18.954 ( 0.750 1.030 0.939) 1.582 19.059 ( 8.260 4.157 -2.489) 9.576 19.439 ( -1.155 -0.681 -0.056) 1.342 21.244 ( -8.164 -4.822 -0.328) 9.488 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.663 2.464 -3.466) 4.566 2.159 ( 6.336 1.806 10.508) 12.403 2.773 ( -1.060 3.450 0.939) 3.729 2.805 ( 2.561 -1.401 -2.527) 3.861 3.238 ( -0.190 -1.551 6.654) 6.835 3.280 ( -3.233 -0.957 -4.330) 5.488 6.845 ( -2.814 -2.778 3.048) 4.993 6.930 ( -0.837 1.171 -1.209) 1.879 7.203 ( -4.372 -2.777 -1.124) 5.300 7.883 ( -4.157 -3.944 1.774) 5.999 8.006 ( -1.513 0.467 -1.947) 2.509 9.491 ( -11.705 -7.528 -4.287) 14.562 10.109 ( -9.696 -5.294 -1.871) 11.204 10.317 ( -0.720 -5.077 -2.369) 5.649 10.419 ( -5.610 1.469 -4.770) 7.509 10.959 ( 8.714 2.430 7.964) 12.053 11.477 ( 2.052 4.953 -1.385) 5.537 11.876 ( 9.994 4.793 2.421) 11.345 16.182 ( -0.954 0.074 -3.894) 4.010 16.310 ( 6.146 3.123 5.922) 9.089 19.016 ( 2.992 2.207 3.107) 4.846 19.265 ( 11.714 6.316 -3.449) 13.748 19.405 ( -1.475 -0.864 -0.272) 1.731 20.984 ( -14.390 -8.513 -0.534) 16.728 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.513 -0.167 7.320) 7.340 2.107 ( -0.576 6.933 -1.154) 7.052 2.750 ( 0.691 -0.804 1.228) 1.622 2.784 ( -0.342 1.675 -1.636) 2.366 3.251 ( -0.387 -1.169 7.919) 8.014 3.336 ( 0.186 -1.206 -5.017) 5.163 6.907 ( -0.966 -0.996 1.711) 2.203 6.919 ( 0.982 -0.278 0.503) 1.137 7.292 ( 0.094 -4.270 0.701) 4.328 7.990 ( -1.010 -2.920 -0.776) 3.186 8.004 ( 0.930 -0.848 0.683) 1.432 9.663 ( -0.158 -5.537 -1.205) 5.668 10.338 ( 1.554 -5.743 0.815) 6.005 10.355 ( 0.629 -3.322 -1.169) 3.578 10.518 ( -4.905 -17.176 4.633) 18.454 10.881 ( 3.062 8.102 -6.276) 10.696 11.387 ( -0.114 3.458 0.315) 3.475 11.640 ( -0.140 14.264 -0.516) 14.274 16.159 ( -0.002 -1.485 3.103) 3.440 16.240 ( 0.070 5.230 -1.633) 5.479 18.984 ( 0.753 2.906 -2.055) 3.638 19.021 ( -0.762 7.590 1.272) 7.734 19.438 ( -0.006 -1.437 -0.003) 1.437 21.242 ( -0.045 -9.578 -0.115) 9.579 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.776 2.053 -1.890) 2.896 2.179 ( 3.795 5.925 2.263) 7.391 2.748 ( -0.358 -0.978 -2.545) 2.750 2.807 ( 1.164 2.420 0.972) 2.856 3.265 ( -0.640 -2.814 5.904) 6.572 3.283 ( -1.288 -0.613 -5.097) 5.293 6.883 ( -1.870 -1.709 1.982) 3.216 6.917 ( 0.356 -1.284 -2.115) 2.500 7.225 ( -2.988 -4.724 -0.323) 5.600 7.928 ( -2.850 -3.793 1.634) 5.018 7.994 ( -0.272 -1.649 -1.290) 2.112 9.542 ( -5.981 -10.427 0.951) 12.058 10.167 ( -6.591 -11.835 -1.388) 13.618 10.311 ( -3.675 -0.866 1.463) 4.049 10.441 ( 1.402 -5.593 3.081) 6.538 10.913 ( 0.184 5.459 -2.965) 6.215 11.482 ( 5.354 5.990 -1.300) 8.139 11.817 ( 5.398 10.452 0.488) 11.773 16.166 ( -0.238 -0.856 -0.151) 0.902 16.304 ( 3.076 5.803 -0.137) 6.569 19.022 ( 2.286 3.876 -0.874) 4.584 19.172 ( 5.753 10.031 0.870) 11.596 19.413 ( -0.979 -1.705 0.030) 1.966 21.065 ( -7.625 -13.199 0.223) 15.244 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 0.000) 0.000 3.306 ( -0.000 0.000 0.000) 0.000 3.316 ( 0.000 -0.000 -0.000) 0.000 6.923 ( -0.000 0.000 0.000) 0.000 6.923 ( -0.000 0.000 0.000) 0.000 7.335 ( -0.000 0.000 0.000) 0.000 8.016 ( -0.000 0.000 0.000) 0.000 8.016 ( -0.000 0.000 0.000) 0.000 9.704 ( -0.000 0.000 0.000) 0.000 10.388 ( -0.000 0.000 0.000) 0.000 10.388 ( -0.000 0.000 0.000) 0.000 10.771 ( -0.000 0.000 0.000) 0.000 10.771 ( -0.000 0.000 0.000) 0.000 11.351 ( -0.000 0.000 0.000) 0.000 11.456 ( -0.000 0.000 0.000) 0.000 16.184 ( -0.000 0.000 0.000) 0.000 16.184 ( -0.000 0.000 0.000) 0.000 18.949 ( -0.000 0.000 0.000) 0.000 18.949 ( -0.000 0.000 0.000) 0.000 19.453 ( -0.000 0.000 0.000) 0.000 21.336 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 249.041 249.041 411.890 0.000 -0.000 0.000 3/41472 20.0 66.432 66.432 95.888 0.000 -0.000 0.000 3/41472 30.0 39.908 39.908 53.827 0.000 -0.000 0.000 3/41472 40.0 30.363 30.363 39.656 0.000 -0.000 0.000 3/41472 50.0 24.155 24.155 30.958 0.000 -0.000 0.000 3/41472 60.0 19.226 19.226 24.327 0.000 -0.000 0.000 3/41472 70.0 15.323 15.323 19.205 0.000 -0.000 0.000 3/41472 80.0 12.360 12.360 15.375 0.000 -0.000 0.000 3/41472 90.0 10.159 10.159 12.559 0.000 -0.000 0.000 3/41472 100.0 8.524 8.524 10.484 0.000 -0.000 0.000 3/41472 110.0 7.294 7.294 8.933 0.000 -0.000 0.000 3/41472 120.0 6.353 6.353 7.752 0.000 -0.000 0.000 3/41472 130.0 5.619 5.619 6.835 0.000 -0.000 0.000 3/41472 140.0 5.035 5.035 6.108 0.000 -0.000 0.000 3/41472 150.0 4.564 4.564 5.522 0.000 -0.000 0.000 3/41472 160.0 4.176 4.176 5.042 0.000 -0.000 0.000 3/41472 170.0 3.853 3.853 4.642 0.000 -0.000 0.000 3/41472 180.0 3.580 3.580 4.305 0.000 -0.000 0.000 3/41472 190.0 3.347 3.347 4.017 0.000 -0.000 0.000 3/41472 200.0 3.145 3.145 3.768 0.000 -0.000 0.000 3/41472 210.0 2.969 2.969 3.552 0.000 -0.000 0.000 3/41472 220.0 2.814 2.814 3.361 0.000 -0.000 0.000 3/41472 230.0 2.676 2.676 3.192 0.000 -0.000 0.000 3/41472 240.0 2.553 2.553 3.041 0.000 -0.000 0.000 3/41472 250.0 2.442 2.442 2.905 0.000 -0.000 0.000 3/41472 260.0 2.341 2.341 2.781 0.000 -0.000 0.000 3/41472 270.0 2.250 2.250 2.669 0.000 -0.000 0.000 3/41472 280.0 2.166 2.166 2.567 0.000 -0.000 0.000 3/41472 290.0 2.089 2.089 2.473 0.000 -0.000 0.000 3/41472 300.0 2.017 2.017 2.386 0.000 -0.000 0.000 3/41472 310.0 1.951 1.951 2.305 0.000 -0.000 0.000 3/41472 320.0 1.890 1.890 2.231 0.000 -0.000 0.000 3/41472 330.0 1.832 1.832 2.161 0.000 -0.000 0.000 3/41472 340.0 1.778 1.778 2.096 0.000 -0.000 0.000 3/41472 350.0 1.728 1.728 2.035 0.000 -0.000 0.000 3/41472 360.0 1.680 1.680 1.977 0.000 -0.000 0.000 3/41472 370.0 1.636 1.636 1.923 0.000 -0.000 0.000 3/41472 380.0 1.593 1.593 1.872 0.000 -0.000 0.000 3/41472 390.0 1.553 1.553 1.824 0.000 -0.000 0.000 3/41472 400.0 1.515 1.515 1.778 0.000 -0.000 0.000 3/41472 410.0 1.479 1.479 1.735 0.000 -0.000 0.000 3/41472 420.0 1.445 1.445 1.693 0.000 -0.000 0.000 3/41472 430.0 1.412 1.412 1.654 0.000 -0.000 0.000 3/41472 440.0 1.381 1.381 1.617 0.000 -0.000 0.000 3/41472 450.0 1.351 1.351 1.581 0.000 -0.000 0.000 3/41472 460.0 1.322 1.322 1.547 0.000 -0.000 0.000 3/41472 470.0 1.295 1.295 1.514 0.000 -0.000 0.000 3/41472 480.0 1.268 1.268 1.483 0.000 -0.000 0.000 3/41472 490.0 1.243 1.243 1.453 0.000 -0.000 0.000 3/41472 500.0 1.219 1.219 1.424 0.000 -0.000 0.000 3/41472 510.0 1.196 1.196 1.396 0.000 -0.000 0.000 3/41472 520.0 1.174 1.174 1.370 0.000 -0.000 0.000 3/41472 530.0 1.152 1.152 1.344 0.000 -0.000 0.000 3/41472 540.0 1.131 1.131 1.320 0.000 -0.000 0.000 3/41472 550.0 1.111 1.111 1.296 0.000 -0.000 0.000 3/41472 560.0 1.092 1.092 1.273 0.000 -0.000 0.000 3/41472 570.0 1.073 1.073 1.251 0.000 -0.000 0.000 3/41472 580.0 1.055 1.055 1.230 0.000 -0.000 0.000 3/41472 590.0 1.038 1.038 1.209 0.000 -0.000 0.000 3/41472 600.0 1.021 1.021 1.189 0.000 -0.000 0.000 3/41472 610.0 1.005 1.005 1.170 0.000 -0.000 0.000 3/41472 620.0 0.989 0.989 1.151 0.000 -0.000 0.000 3/41472 630.0 0.974 0.974 1.133 0.000 -0.000 0.000 3/41472 640.0 0.959 0.959 1.116 0.000 -0.000 0.000 3/41472 650.0 0.944 0.944 1.099 0.000 -0.000 0.000 3/41472 660.0 0.930 0.930 1.082 0.000 -0.000 0.000 3/41472 670.0 0.917 0.917 1.066 0.000 -0.000 0.000 3/41472 680.0 0.904 0.904 1.051 0.000 -0.000 0.000 3/41472 690.0 0.891 0.891 1.036 0.000 -0.000 0.000 3/41472 700.0 0.878 0.878 1.021 0.000 -0.000 0.000 3/41472 710.0 0.866 0.866 1.007 0.000 -0.000 0.000 3/41472 720.0 0.855 0.855 0.993 0.000 -0.000 0.000 3/41472 730.0 0.843 0.843 0.980 0.000 -0.000 0.000 3/41472 740.0 0.832 0.832 0.967 0.000 -0.000 0.000 3/41472 750.0 0.821 0.821 0.954 0.000 -0.000 0.000 3/41472 760.0 0.811 0.811 0.942 0.000 -0.000 0.000 3/41472 770.0 0.800 0.800 0.929 0.000 -0.000 0.000 3/41472 780.0 0.790 0.790 0.918 0.000 -0.000 0.000 3/41472 790.0 0.780 0.780 0.906 0.000 -0.000 0.000 3/41472 800.0 0.771 0.771 0.895 0.000 -0.000 0.000 3/41472 810.0 0.761 0.761 0.884 0.000 -0.000 0.000 3/41472 820.0 0.752 0.752 0.873 0.000 -0.000 0.000 3/41472 830.0 0.743 0.743 0.863 0.000 -0.000 0.000 3/41472 840.0 0.735 0.735 0.853 0.000 -0.000 0.000 3/41472 850.0 0.726 0.726 0.843 0.000 -0.000 0.000 3/41472 860.0 0.718 0.718 0.833 0.000 -0.000 0.000 3/41472 870.0 0.710 0.710 0.824 0.000 -0.000 0.000 3/41472 880.0 0.702 0.702 0.814 0.000 -0.000 0.000 3/41472 890.0 0.694 0.694 0.805 0.000 -0.000 0.000 3/41472 900.0 0.687 0.687 0.796 0.000 -0.000 0.000 3/41472 910.0 0.679 0.679 0.788 0.000 -0.000 0.000 3/41472 920.0 0.672 0.672 0.779 0.000 -0.000 0.000 3/41472 930.0 0.665 0.665 0.771 0.000 -0.000 0.000 3/41472 940.0 0.658 0.658 0.763 0.000 -0.000 0.000 3/41472 950.0 0.651 0.651 0.755 0.000 -0.000 0.000 3/41472 960.0 0.644 0.644 0.747 0.000 -0.000 0.000 3/41472 970.0 0.638 0.638 0.739 0.000 -0.000 0.000 3/41472 980.0 0.631 0.631 0.732 0.000 -0.000 0.000 3/41472 990.0 0.625 0.625 0.725 0.000 -0.000 0.000 3/41472 1000.0 0.619 0.619 0.717 0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:15:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|