----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:31:48]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.803027700000000 -4.684583339999999 0.000000000000000 b 1.803027700000000 4.684583339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): *1 O 0.68765556604065 0.31234443395935 0.06649116811167 15.999 2 O 0.31234443395935 0.68765556604065 0.93350883188833 15.999 3 O 0.31234443395935 0.68765556604065 0.56649116811167 15.999 4 O 0.68765556604065 0.31234443395935 0.43350883188833 15.999 *5 O 0.95534669047456 0.04465330952544 0.11744549763717 15.999 6 O 0.04465330952544 0.95534669047456 0.88255450236283 15.999 *7 O 0.23490332426396 0.76509667573604 0.25000000000000 15.999 8 O 0.76509667573604 0.23490332426396 0.75000000000000 15.999 9 O 0.95534669047456 0.04465330952544 0.38255450236283 15.999 10 O 0.04465330952544 0.95534669047456 0.61744549763717 15.999 *11 Al 0.85926306149927 0.14073693850073 0.94370747812238 26.982 12 Al 0.14073693850073 0.85926306149927 0.05629252187762 26.982 13 Al 0.85926306149927 0.14073693850073 0.55629252187762 26.982 14 Al 0.14073693850073 0.85926306149927 0.44370747812238 26.982 *15 Ti 0.81481942243563 0.18518057756437 0.25000000000000 47.867 16 Ti 0.18518057756437 0.81481942243563 0.75000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.606055400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.369166679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): *1 O 0.00000000000000 0.31234443395935 0.06649116811167 15.999 > 1 2 O 0.50000000000000 0.18765556604065 0.93350883188833 15.999 > 2 3 O 0.50000000000000 0.18765556604065 0.56649116811167 15.999 > 3 4 O 0.00000000000000 0.31234443395935 0.43350883188833 15.999 > 4 *5 O 0.00000000000000 0.04465330952544 0.11744549763717 15.999 > 5 6 O 0.50000000000000 0.45534669047456 0.88255450236283 15.999 > 6 *7 O 0.50000000000000 0.26509667573604 0.25000000000000 15.999 > 7 8 O 0.00000000000000 0.23490332426396 0.75000000000000 15.999 > 8 9 O 0.00000000000000 0.04465330952544 0.38255450236283 15.999 > 9 10 O 0.50000000000000 0.45534669047456 0.61744549763717 15.999 > 10 11 O 0.50000000000000 0.81234443395935 0.06649116811167 15.999 > 1 12 O 0.00000000000000 0.68765556604065 0.93350883188833 15.999 > 2 13 O 0.00000000000000 0.68765556604065 0.56649116811167 15.999 > 3 14 O 0.50000000000000 0.81234443395935 0.43350883188833 15.999 > 4 15 O 0.50000000000000 0.54465330952544 0.11744549763717 15.999 > 5 16 O 0.00000000000000 0.95534669047456 0.88255450236283 15.999 > 6 17 O 0.00000000000000 0.76509667573604 0.25000000000000 15.999 > 7 18 O 0.50000000000000 0.73490332426396 0.75000000000000 15.999 > 8 19 O 0.50000000000000 0.54465330952544 0.38255450236283 15.999 > 9 20 O 0.00000000000000 0.95534669047456 0.61744549763717 15.999 > 10 *21 Al 0.00000000000000 0.14073693850073 0.94370747812238 26.982 > 11 22 Al 0.50000000000000 0.35926306149927 0.05629252187762 26.982 > 12 23 Al 0.00000000000000 0.14073693850073 0.55629252187762 26.982 > 13 24 Al 0.50000000000000 0.35926306149927 0.44370747812238 26.982 > 14 25 Al 0.50000000000000 0.64073693850073 0.94370747812238 26.982 > 11 26 Al 0.00000000000000 0.85926306149927 0.05629252187762 26.982 > 12 27 Al 0.50000000000000 0.64073693850073 0.55629252187762 26.982 > 13 28 Al 0.00000000000000 0.85926306149927 0.44370747812238 26.982 > 14 *29 Ti 0.00000000000000 0.18518057756437 0.25000000000000 47.867 > 15 30 Ti 0.50000000000000 0.31481942243563 0.75000000000000 47.867 > 16 31 Ti 0.50000000000000 0.68518057756437 0.25000000000000 47.867 > 15 32 Ti 0.00000000000000 0.81481942243563 0.75000000000000 47.867 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.818166200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.369166679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): *1 O 0.00000000000000 0.31234443395935 0.06649116811167 15.999 > 1 2 O 0.33333333333333 0.31234443395935 0.06649116811167 15.999 > 1 3 O 0.66666666666667 0.31234443395935 0.06649116811167 15.999 > 1 4 O 0.16666666666667 0.18765556604065 0.93350883188833 15.999 > 2 5 O 0.50000000000000 0.18765556604065 0.93350883188833 15.999 > 2 6 O 0.83333333333333 0.18765556604065 0.93350883188833 15.999 > 2 7 O 0.16666666666667 0.18765556604065 0.56649116811167 15.999 > 3 8 O 0.50000000000000 0.18765556604065 0.56649116811167 15.999 > 3 9 O 0.83333333333333 0.18765556604065 0.56649116811167 15.999 > 3 10 O 0.00000000000000 0.31234443395935 0.43350883188833 15.999 > 4 11 O 0.33333333333333 0.31234443395935 0.43350883188833 15.999 > 4 12 O 0.66666666666667 0.31234443395935 0.43350883188833 15.999 > 4 *13 O 0.00000000000000 0.04465330952544 0.11744549763717 15.999 > 5 14 O 0.33333333333333 0.04465330952544 0.11744549763717 15.999 > 5 15 O 0.66666666666667 0.04465330952544 0.11744549763717 15.999 > 5 16 O 0.16666666666667 0.45534669047456 0.88255450236283 15.999 > 6 17 O 0.50000000000000 0.45534669047456 0.88255450236283 15.999 > 6 18 O 0.83333333333333 0.45534669047456 0.88255450236283 15.999 > 6 *19 O 0.16666666666667 0.26509667573604 0.25000000000000 15.999 > 7 20 O 0.50000000000000 0.26509667573604 0.25000000000000 15.999 > 7 21 O 0.83333333333333 0.26509667573604 0.25000000000000 15.999 > 7 22 O 0.00000000000000 0.23490332426396 0.75000000000000 15.999 > 8 23 O 0.33333333333333 0.23490332426396 0.75000000000000 15.999 > 8 24 O 0.66666666666667 0.23490332426396 0.75000000000000 15.999 > 8 25 O 0.00000000000000 0.04465330952544 0.38255450236283 15.999 > 9 26 O 0.33333333333333 0.04465330952544 0.38255450236283 15.999 > 9 27 O 0.66666666666667 0.04465330952544 0.38255450236283 15.999 > 9 28 O 0.16666666666667 0.45534669047456 0.61744549763717 15.999 > 10 29 O 0.50000000000000 0.45534669047456 0.61744549763717 15.999 > 10 30 O 0.83333333333333 0.45534669047456 0.61744549763717 15.999 > 10 31 O 0.16666666666667 0.81234443395935 0.06649116811167 15.999 > 1 32 O 0.50000000000000 0.81234443395935 0.06649116811167 15.999 > 1 33 O 0.83333333333333 0.81234443395935 0.06649116811167 15.999 > 1 34 O 0.00000000000000 0.68765556604065 0.93350883188833 15.999 > 2 35 O 0.33333333333333 0.68765556604065 0.93350883188833 15.999 > 2 36 O 0.66666666666667 0.68765556604065 0.93350883188833 15.999 > 2 37 O 0.00000000000000 0.68765556604065 0.56649116811167 15.999 > 3 38 O 0.33333333333333 0.68765556604065 0.56649116811167 15.999 > 3 39 O 0.66666666666667 0.68765556604065 0.56649116811167 15.999 > 3 40 O 0.16666666666667 0.81234443395935 0.43350883188833 15.999 > 4 41 O 0.50000000000000 0.81234443395935 0.43350883188833 15.999 > 4 42 O 0.83333333333333 0.81234443395935 0.43350883188833 15.999 > 4 43 O 0.16666666666667 0.54465330952544 0.11744549763717 15.999 > 5 44 O 0.50000000000000 0.54465330952544 0.11744549763717 15.999 > 5 45 O 0.83333333333333 0.54465330952544 0.11744549763717 15.999 > 5 46 O 0.00000000000000 0.95534669047456 0.88255450236283 15.999 > 6 47 O 0.33333333333333 0.95534669047456 0.88255450236283 15.999 > 6 48 O 0.66666666666667 0.95534669047456 0.88255450236283 15.999 > 6 49 O 0.00000000000000 0.76509667573604 0.25000000000000 15.999 > 7 50 O 0.33333333333333 0.76509667573604 0.25000000000000 15.999 > 7 51 O 0.66666666666667 0.76509667573604 0.25000000000000 15.999 > 7 52 O 0.16666666666667 0.73490332426396 0.75000000000000 15.999 > 8 53 O 0.50000000000000 0.73490332426396 0.75000000000000 15.999 > 8 54 O 0.83333333333333 0.73490332426396 0.75000000000000 15.999 > 8 55 O 0.16666666666667 0.54465330952544 0.38255450236283 15.999 > 9 56 O 0.50000000000000 0.54465330952544 0.38255450236283 15.999 > 9 57 O 0.83333333333333 0.54465330952544 0.38255450236283 15.999 > 9 58 O 0.00000000000000 0.95534669047456 0.61744549763717 15.999 > 10 59 O 0.33333333333333 0.95534669047456 0.61744549763717 15.999 > 10 60 O 0.66666666666667 0.95534669047456 0.61744549763717 15.999 > 10 *61 Al 0.00000000000000 0.14073693850073 0.94370747812238 26.982 > 11 62 Al 0.33333333333333 0.14073693850073 0.94370747812238 26.982 > 11 63 Al 0.66666666666667 0.14073693850073 0.94370747812238 26.982 > 11 64 Al 0.16666666666667 0.35926306149927 0.05629252187762 26.982 > 12 65 Al 0.50000000000000 0.35926306149927 0.05629252187762 26.982 > 12 66 Al 0.83333333333333 0.35926306149927 0.05629252187762 26.982 > 12 67 Al 0.00000000000000 0.14073693850073 0.55629252187762 26.982 > 13 68 Al 0.33333333333333 0.14073693850073 0.55629252187762 26.982 > 13 69 Al 0.66666666666667 0.14073693850073 0.55629252187762 26.982 > 13 70 Al 0.16666666666667 0.35926306149927 0.44370747812238 26.982 > 14 71 Al 0.50000000000000 0.35926306149927 0.44370747812238 26.982 > 14 72 Al 0.83333333333333 0.35926306149927 0.44370747812238 26.982 > 14 73 Al 0.16666666666667 0.64073693850073 0.94370747812238 26.982 > 11 74 Al 0.50000000000000 0.64073693850073 0.94370747812238 26.982 > 11 75 Al 0.83333333333333 0.64073693850073 0.94370747812238 26.982 > 11 76 Al 0.00000000000000 0.85926306149927 0.05629252187762 26.982 > 12 77 Al 0.33333333333333 0.85926306149927 0.05629252187762 26.982 > 12 78 Al 0.66666666666667 0.85926306149927 0.05629252187762 26.982 > 12 79 Al 0.16666666666667 0.64073693850073 0.55629252187762 26.982 > 13 80 Al 0.50000000000000 0.64073693850073 0.55629252187762 26.982 > 13 81 Al 0.83333333333333 0.64073693850073 0.55629252187762 26.982 > 13 82 Al 0.00000000000000 0.85926306149927 0.44370747812238 26.982 > 14 83 Al 0.33333333333333 0.85926306149927 0.44370747812238 26.982 > 14 84 Al 0.66666666666667 0.85926306149927 0.44370747812238 26.982 > 14 *85 Ti 0.00000000000000 0.18518057756437 0.25000000000000 47.867 > 15 86 Ti 0.33333333333333 0.18518057756437 0.25000000000000 47.867 > 15 87 Ti 0.66666666666667 0.18518057756437 0.25000000000000 47.867 > 15 88 Ti 0.16666666666667 0.31481942243563 0.75000000000000 47.867 > 16 89 Ti 0.50000000000000 0.31481942243563 0.75000000000000 47.867 > 16 90 Ti 0.83333333333333 0.31481942243563 0.75000000000000 47.867 > 16 91 Ti 0.16666666666667 0.68518057756437 0.25000000000000 47.867 > 15 92 Ti 0.50000000000000 0.68518057756437 0.25000000000000 47.867 > 15 93 Ti 0.83333333333333 0.68518057756437 0.25000000000000 47.867 > 15 94 Ti 0.00000000000000 0.81481942243563 0.75000000000000 47.867 > 16 95 Ti 0.33333333333333 0.81481942243563 0.75000000000000 47.867 > 16 96 Ti 0.66666666666667 0.81481942243563 0.75000000000000 47.867 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0540985 0.0000000 0.0000000 0.0000000 4.0363052 0.0000000 0.0000000 0.0000000 4.4577921 -------------------------- Born effective charges -------------------------- 1 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 2 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 3 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 4 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 5 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 6 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 7 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 8 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 9 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 10 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 11 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 12 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 13 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 14 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 15 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 16 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 ---------------------------------------------------------------------------- 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: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.912 Solver_block: 200 / 240 - Time: 0.898 Solver_block: 240 / 240 - Time: 0.434 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.270 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 8652/8652 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1000 Number of blocks in projector: 1000 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 120 Use standard eigh solver. Tree of FC basis block matrices: - (1000, 979), data: False |-- (120, 120), data: True |-- (136, 136), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (168, 163), data: True |-- (240, 234), 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 20:32:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:32:02]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.803027700000000 -4.684583339999999 0.000000000000000 b 1.803027700000000 4.684583339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): 1 O 0.68765556604065 0.31234443395935 0.06649116811167 15.999 2 O 0.31234443395935 0.68765556604065 0.93350883188833 15.999 3 O 0.31234443395935 0.68765556604065 0.56649116811167 15.999 4 O 0.68765556604065 0.31234443395935 0.43350883188833 15.999 5 O 0.95534669047456 0.04465330952544 0.11744549763717 15.999 6 O 0.04465330952544 0.95534669047456 0.88255450236283 15.999 7 O 0.23490332426396 0.76509667573604 0.25000000000000 15.999 8 O 0.76509667573604 0.23490332426396 0.75000000000000 15.999 9 O 0.95534669047456 0.04465330952544 0.38255450236283 15.999 10 O 0.04465330952544 0.95534669047456 0.61744549763717 15.999 11 Al 0.85926306149927 0.14073693850073 0.94370747812238 26.982 12 Al 0.14073693850073 0.85926306149927 0.05629252187762 26.982 13 Al 0.85926306149927 0.14073693850073 0.55629252187762 26.982 14 Al 0.14073693850073 0.85926306149927 0.44370747812238 26.982 15 Ti 0.81481942243563 0.18518057756437 0.25000000000000 47.867 16 Ti 0.18518057756437 0.81481942243563 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.818166200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.369166679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): 1 O 0.00000000000000 0.31234443395935 0.06649116811167 15.999 > 1 2 O 0.33333333333333 0.31234443395935 0.06649116811167 15.999 > 1 3 O 0.66666666666667 0.31234443395935 0.06649116811167 15.999 > 1 4 O 0.16666666666667 0.18765556604065 0.93350883188833 15.999 > 4 5 O 0.50000000000000 0.18765556604065 0.93350883188833 15.999 > 4 6 O 0.83333333333333 0.18765556604065 0.93350883188833 15.999 > 4 7 O 0.16666666666667 0.18765556604065 0.56649116811167 15.999 > 7 8 O 0.50000000000000 0.18765556604065 0.56649116811167 15.999 > 7 9 O 0.83333333333333 0.18765556604065 0.56649116811167 15.999 > 7 10 O 0.00000000000000 0.31234443395935 0.43350883188833 15.999 > 10 11 O 0.33333333333333 0.31234443395935 0.43350883188833 15.999 > 10 12 O 0.66666666666667 0.31234443395935 0.43350883188833 15.999 > 10 13 O 0.00000000000000 0.04465330952544 0.11744549763717 15.999 > 13 14 O 0.33333333333333 0.04465330952544 0.11744549763717 15.999 > 13 15 O 0.66666666666667 0.04465330952544 0.11744549763717 15.999 > 13 16 O 0.16666666666667 0.45534669047456 0.88255450236283 15.999 > 16 17 O 0.50000000000000 0.45534669047456 0.88255450236283 15.999 > 16 18 O 0.83333333333333 0.45534669047456 0.88255450236283 15.999 > 16 19 O 0.16666666666667 0.26509667573604 0.25000000000000 15.999 > 19 20 O 0.50000000000000 0.26509667573604 0.25000000000000 15.999 > 19 21 O 0.83333333333333 0.26509667573604 0.25000000000000 15.999 > 19 22 O 0.00000000000000 0.23490332426396 0.75000000000000 15.999 > 22 23 O 0.33333333333333 0.23490332426396 0.75000000000000 15.999 > 22 24 O 0.66666666666667 0.23490332426396 0.75000000000000 15.999 > 22 25 O 0.00000000000000 0.04465330952544 0.38255450236283 15.999 > 25 26 O 0.33333333333333 0.04465330952544 0.38255450236283 15.999 > 25 27 O 0.66666666666667 0.04465330952544 0.38255450236283 15.999 > 25 28 O 0.16666666666667 0.45534669047456 0.61744549763717 15.999 > 28 29 O 0.50000000000000 0.45534669047456 0.61744549763717 15.999 > 28 30 O 0.83333333333333 0.45534669047456 0.61744549763717 15.999 > 28 31 O 0.16666666666667 0.81234443395935 0.06649116811167 15.999 > 1 32 O 0.50000000000000 0.81234443395935 0.06649116811167 15.999 > 1 33 O 0.83333333333333 0.81234443395935 0.06649116811167 15.999 > 1 34 O 0.00000000000000 0.68765556604065 0.93350883188833 15.999 > 4 35 O 0.33333333333333 0.68765556604065 0.93350883188833 15.999 > 4 36 O 0.66666666666667 0.68765556604065 0.93350883188833 15.999 > 4 37 O 0.00000000000000 0.68765556604065 0.56649116811167 15.999 > 7 38 O 0.33333333333333 0.68765556604065 0.56649116811167 15.999 > 7 39 O 0.66666666666667 0.68765556604065 0.56649116811167 15.999 > 7 40 O 0.16666666666667 0.81234443395935 0.43350883188833 15.999 > 10 41 O 0.50000000000000 0.81234443395935 0.43350883188833 15.999 > 10 42 O 0.83333333333333 0.81234443395935 0.43350883188833 15.999 > 10 43 O 0.16666666666667 0.54465330952544 0.11744549763717 15.999 > 13 44 O 0.50000000000000 0.54465330952544 0.11744549763717 15.999 > 13 45 O 0.83333333333333 0.54465330952544 0.11744549763717 15.999 > 13 46 O 0.00000000000000 0.95534669047456 0.88255450236283 15.999 > 16 47 O 0.33333333333333 0.95534669047456 0.88255450236283 15.999 > 16 48 O 0.66666666666667 0.95534669047456 0.88255450236283 15.999 > 16 49 O 0.00000000000000 0.76509667573604 0.25000000000000 15.999 > 19 50 O 0.33333333333333 0.76509667573604 0.25000000000000 15.999 > 19 51 O 0.66666666666667 0.76509667573604 0.25000000000000 15.999 > 19 52 O 0.16666666666667 0.73490332426396 0.75000000000000 15.999 > 22 53 O 0.50000000000000 0.73490332426396 0.75000000000000 15.999 > 22 54 O 0.83333333333333 0.73490332426396 0.75000000000000 15.999 > 22 55 O 0.16666666666667 0.54465330952544 0.38255450236283 15.999 > 25 56 O 0.50000000000000 0.54465330952544 0.38255450236283 15.999 > 25 57 O 0.83333333333333 0.54465330952544 0.38255450236283 15.999 > 25 58 O 0.00000000000000 0.95534669047456 0.61744549763717 15.999 > 28 59 O 0.33333333333333 0.95534669047456 0.61744549763717 15.999 > 28 60 O 0.66666666666667 0.95534669047456 0.61744549763717 15.999 > 28 61 Al 0.00000000000000 0.14073693850073 0.94370747812238 26.982 > 61 62 Al 0.33333333333333 0.14073693850073 0.94370747812238 26.982 > 61 63 Al 0.66666666666667 0.14073693850073 0.94370747812238 26.982 > 61 64 Al 0.16666666666667 0.35926306149927 0.05629252187762 26.982 > 64 65 Al 0.50000000000000 0.35926306149927 0.05629252187762 26.982 > 64 66 Al 0.83333333333333 0.35926306149927 0.05629252187762 26.982 > 64 67 Al 0.00000000000000 0.14073693850073 0.55629252187762 26.982 > 67 68 Al 0.33333333333333 0.14073693850073 0.55629252187762 26.982 > 67 69 Al 0.66666666666667 0.14073693850073 0.55629252187762 26.982 > 67 70 Al 0.16666666666667 0.35926306149927 0.44370747812238 26.982 > 70 71 Al 0.50000000000000 0.35926306149927 0.44370747812238 26.982 > 70 72 Al 0.83333333333333 0.35926306149927 0.44370747812238 26.982 > 70 73 Al 0.16666666666667 0.64073693850073 0.94370747812238 26.982 > 61 74 Al 0.50000000000000 0.64073693850073 0.94370747812238 26.982 > 61 75 Al 0.83333333333333 0.64073693850073 0.94370747812238 26.982 > 61 76 Al 0.00000000000000 0.85926306149927 0.05629252187762 26.982 > 64 77 Al 0.33333333333333 0.85926306149927 0.05629252187762 26.982 > 64 78 Al 0.66666666666667 0.85926306149927 0.05629252187762 26.982 > 64 79 Al 0.16666666666667 0.64073693850073 0.55629252187762 26.982 > 67 80 Al 0.50000000000000 0.64073693850073 0.55629252187762 26.982 > 67 81 Al 0.83333333333333 0.64073693850073 0.55629252187762 26.982 > 67 82 Al 0.00000000000000 0.85926306149927 0.44370747812238 26.982 > 70 83 Al 0.33333333333333 0.85926306149927 0.44370747812238 26.982 > 70 84 Al 0.66666666666667 0.85926306149927 0.44370747812238 26.982 > 70 85 Ti 0.00000000000000 0.18518057756437 0.25000000000000 47.867 > 85 86 Ti 0.33333333333333 0.18518057756437 0.25000000000000 47.867 > 85 87 Ti 0.66666666666667 0.18518057756437 0.25000000000000 47.867 > 85 88 Ti 0.16666666666667 0.31481942243563 0.75000000000000 47.867 > 88 89 Ti 0.50000000000000 0.31481942243563 0.75000000000000 47.867 > 88 90 Ti 0.83333333333333 0.31481942243563 0.75000000000000 47.867 > 88 91 Ti 0.16666666666667 0.68518057756437 0.25000000000000 47.867 > 85 92 Ti 0.50000000000000 0.68518057756437 0.25000000000000 47.867 > 85 93 Ti 0.83333333333333 0.68518057756437 0.25000000000000 47.867 > 85 94 Ti 0.00000000000000 0.81481942243563 0.75000000000000 47.867 > 88 95 Ti 0.33333333333333 0.81481942243563 0.75000000000000 47.867 > 88 96 Ti 0.66666666666667 0.81481942243563 0.75000000000000 47.867 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0540985 0.0000000 0.0000000 0.0000000 4.0363052 0.0000000 0.0000000 0.0000000 4.4577921 -------------------------- Born effective charges -------------------------- 1 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 2 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 3 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 4 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 5 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 6 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 7 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 8 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 9 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 10 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 11 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 12 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 13 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 14 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 15 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 16 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 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] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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 0.0100 0.0000] [ 0.0000 -0.0100 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 20:32:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:32:14]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.803027700000000 -4.684583339999999 0.000000000000000 b 1.803027700000000 4.684583339999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): 1 O 0.68765556604065 0.31234443395935 0.06649116811167 15.999 2 O 0.31234443395935 0.68765556604065 0.93350883188833 15.999 3 O 0.31234443395935 0.68765556604065 0.56649116811167 15.999 4 O 0.68765556604065 0.31234443395935 0.43350883188833 15.999 5 O 0.95534669047456 0.04465330952544 0.11744549763717 15.999 6 O 0.04465330952544 0.95534669047456 0.88255450236283 15.999 7 O 0.23490332426396 0.76509667573604 0.25000000000000 15.999 8 O 0.76509667573604 0.23490332426396 0.75000000000000 15.999 9 O 0.95534669047456 0.04465330952544 0.38255450236283 15.999 10 O 0.04465330952544 0.95534669047456 0.61744549763717 15.999 11 Al 0.85926306149927 0.14073693850073 0.94370747812238 26.982 12 Al 0.14073693850073 0.85926306149927 0.05629252187762 26.982 13 Al 0.85926306149927 0.14073693850073 0.55629252187762 26.982 14 Al 0.14073693850073 0.85926306149927 0.44370747812238 26.982 15 Ti 0.81481942243563 0.18518057756437 0.25000000000000 47.867 16 Ti 0.18518057756437 0.81481942243563 0.75000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.818166200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.369166679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.647789689999998 Atomic positions (fractional): 1 O 0.00000000000000 0.31234443395935 0.06649116811167 15.999 > 1 2 O 0.33333333333333 0.31234443395935 0.06649116811167 15.999 > 1 3 O 0.66666666666667 0.31234443395935 0.06649116811167 15.999 > 1 4 O 0.16666666666667 0.18765556604065 0.93350883188833 15.999 > 4 5 O 0.50000000000000 0.18765556604065 0.93350883188833 15.999 > 4 6 O 0.83333333333333 0.18765556604065 0.93350883188833 15.999 > 4 7 O 0.16666666666667 0.18765556604065 0.56649116811167 15.999 > 7 8 O 0.50000000000000 0.18765556604065 0.56649116811167 15.999 > 7 9 O 0.83333333333333 0.18765556604065 0.56649116811167 15.999 > 7 10 O 0.00000000000000 0.31234443395935 0.43350883188833 15.999 > 10 11 O 0.33333333333333 0.31234443395935 0.43350883188833 15.999 > 10 12 O 0.66666666666667 0.31234443395935 0.43350883188833 15.999 > 10 13 O 0.00000000000000 0.04465330952544 0.11744549763717 15.999 > 13 14 O 0.33333333333333 0.04465330952544 0.11744549763717 15.999 > 13 15 O 0.66666666666667 0.04465330952544 0.11744549763717 15.999 > 13 16 O 0.16666666666667 0.45534669047456 0.88255450236283 15.999 > 16 17 O 0.50000000000000 0.45534669047456 0.88255450236283 15.999 > 16 18 O 0.83333333333333 0.45534669047456 0.88255450236283 15.999 > 16 19 O 0.16666666666667 0.26509667573604 0.25000000000000 15.999 > 19 20 O 0.50000000000000 0.26509667573604 0.25000000000000 15.999 > 19 21 O 0.83333333333333 0.26509667573604 0.25000000000000 15.999 > 19 22 O 0.00000000000000 0.23490332426396 0.75000000000000 15.999 > 22 23 O 0.33333333333333 0.23490332426396 0.75000000000000 15.999 > 22 24 O 0.66666666666667 0.23490332426396 0.75000000000000 15.999 > 22 25 O 0.00000000000000 0.04465330952544 0.38255450236283 15.999 > 25 26 O 0.33333333333333 0.04465330952544 0.38255450236283 15.999 > 25 27 O 0.66666666666667 0.04465330952544 0.38255450236283 15.999 > 25 28 O 0.16666666666667 0.45534669047456 0.61744549763717 15.999 > 28 29 O 0.50000000000000 0.45534669047456 0.61744549763717 15.999 > 28 30 O 0.83333333333333 0.45534669047456 0.61744549763717 15.999 > 28 31 O 0.16666666666667 0.81234443395935 0.06649116811167 15.999 > 1 32 O 0.50000000000000 0.81234443395935 0.06649116811167 15.999 > 1 33 O 0.83333333333333 0.81234443395935 0.06649116811167 15.999 > 1 34 O 0.00000000000000 0.68765556604065 0.93350883188833 15.999 > 4 35 O 0.33333333333333 0.68765556604065 0.93350883188833 15.999 > 4 36 O 0.66666666666667 0.68765556604065 0.93350883188833 15.999 > 4 37 O 0.00000000000000 0.68765556604065 0.56649116811167 15.999 > 7 38 O 0.33333333333333 0.68765556604065 0.56649116811167 15.999 > 7 39 O 0.66666666666667 0.68765556604065 0.56649116811167 15.999 > 7 40 O 0.16666666666667 0.81234443395935 0.43350883188833 15.999 > 10 41 O 0.50000000000000 0.81234443395935 0.43350883188833 15.999 > 10 42 O 0.83333333333333 0.81234443395935 0.43350883188833 15.999 > 10 43 O 0.16666666666667 0.54465330952544 0.11744549763717 15.999 > 13 44 O 0.50000000000000 0.54465330952544 0.11744549763717 15.999 > 13 45 O 0.83333333333333 0.54465330952544 0.11744549763717 15.999 > 13 46 O 0.00000000000000 0.95534669047456 0.88255450236283 15.999 > 16 47 O 0.33333333333333 0.95534669047456 0.88255450236283 15.999 > 16 48 O 0.66666666666667 0.95534669047456 0.88255450236283 15.999 > 16 49 O 0.00000000000000 0.76509667573604 0.25000000000000 15.999 > 19 50 O 0.33333333333333 0.76509667573604 0.25000000000000 15.999 > 19 51 O 0.66666666666667 0.76509667573604 0.25000000000000 15.999 > 19 52 O 0.16666666666667 0.73490332426396 0.75000000000000 15.999 > 22 53 O 0.50000000000000 0.73490332426396 0.75000000000000 15.999 > 22 54 O 0.83333333333333 0.73490332426396 0.75000000000000 15.999 > 22 55 O 0.16666666666667 0.54465330952544 0.38255450236283 15.999 > 25 56 O 0.50000000000000 0.54465330952544 0.38255450236283 15.999 > 25 57 O 0.83333333333333 0.54465330952544 0.38255450236283 15.999 > 25 58 O 0.00000000000000 0.95534669047456 0.61744549763717 15.999 > 28 59 O 0.33333333333333 0.95534669047456 0.61744549763717 15.999 > 28 60 O 0.66666666666667 0.95534669047456 0.61744549763717 15.999 > 28 61 Al 0.00000000000000 0.14073693850073 0.94370747812238 26.982 > 61 62 Al 0.33333333333333 0.14073693850073 0.94370747812238 26.982 > 61 63 Al 0.66666666666667 0.14073693850073 0.94370747812238 26.982 > 61 64 Al 0.16666666666667 0.35926306149927 0.05629252187762 26.982 > 64 65 Al 0.50000000000000 0.35926306149927 0.05629252187762 26.982 > 64 66 Al 0.83333333333333 0.35926306149927 0.05629252187762 26.982 > 64 67 Al 0.00000000000000 0.14073693850073 0.55629252187762 26.982 > 67 68 Al 0.33333333333333 0.14073693850073 0.55629252187762 26.982 > 67 69 Al 0.66666666666667 0.14073693850073 0.55629252187762 26.982 > 67 70 Al 0.16666666666667 0.35926306149927 0.44370747812238 26.982 > 70 71 Al 0.50000000000000 0.35926306149927 0.44370747812238 26.982 > 70 72 Al 0.83333333333333 0.35926306149927 0.44370747812238 26.982 > 70 73 Al 0.16666666666667 0.64073693850073 0.94370747812238 26.982 > 61 74 Al 0.50000000000000 0.64073693850073 0.94370747812238 26.982 > 61 75 Al 0.83333333333333 0.64073693850073 0.94370747812238 26.982 > 61 76 Al 0.00000000000000 0.85926306149927 0.05629252187762 26.982 > 64 77 Al 0.33333333333333 0.85926306149927 0.05629252187762 26.982 > 64 78 Al 0.66666666666667 0.85926306149927 0.05629252187762 26.982 > 64 79 Al 0.16666666666667 0.64073693850073 0.55629252187762 26.982 > 67 80 Al 0.50000000000000 0.64073693850073 0.55629252187762 26.982 > 67 81 Al 0.83333333333333 0.64073693850073 0.55629252187762 26.982 > 67 82 Al 0.00000000000000 0.85926306149927 0.44370747812238 26.982 > 70 83 Al 0.33333333333333 0.85926306149927 0.44370747812238 26.982 > 70 84 Al 0.66666666666667 0.85926306149927 0.44370747812238 26.982 > 70 85 Ti 0.00000000000000 0.18518057756437 0.25000000000000 47.867 > 85 86 Ti 0.33333333333333 0.18518057756437 0.25000000000000 47.867 > 85 87 Ti 0.66666666666667 0.18518057756437 0.25000000000000 47.867 > 85 88 Ti 0.16666666666667 0.31481942243563 0.75000000000000 47.867 > 88 89 Ti 0.50000000000000 0.31481942243563 0.75000000000000 47.867 > 88 90 Ti 0.83333333333333 0.31481942243563 0.75000000000000 47.867 > 88 91 Ti 0.16666666666667 0.68518057756437 0.25000000000000 47.867 > 85 92 Ti 0.50000000000000 0.68518057756437 0.25000000000000 47.867 > 85 93 Ti 0.83333333333333 0.68518057756437 0.25000000000000 47.867 > 85 94 Ti 0.00000000000000 0.81481942243563 0.75000000000000 47.867 > 88 95 Ti 0.33333333333333 0.81481942243563 0.75000000000000 47.867 > 88 96 Ti 0.66666666666667 0.81481942243563 0.75000000000000 47.867 > 88 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0540985 0.0000000 0.0000000 0.0000000 4.0363052 0.0000000 0.0000000 0.0000000 4.4577921 -------------------------- Born effective charges -------------------------- 1 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 2 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 0.4993713 0.0000000 0.1179309 -2.2921985 3 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 4 O -2.2530703 0.0000000 0.0000000 0.0000000 -1.7862190 -0.4993713 0.0000000 -0.1179309 -2.2921985 5 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 6 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 -0.9686918 0.0000000 -1.0705975 -2.8430650 7 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 8 O -3.8281147 0.0000000 0.0000000 0.0000000 -1.3772458 0.0000000 0.0000000 0.0000000 -1.7250522 9 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 10 O -1.0202210 0.0000000 0.0000000 0.0000000 -2.6897076 0.9686918 0.0000000 1.0705975 -2.8430650 11 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 12 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 -0.0101333 0.0000000 0.2192864 3.4553053 13 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 14 Al 2.7972624 0.0000000 0.0000000 0.0000000 3.0867808 0.0101333 0.0000000 -0.2192864 3.4553053 15 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 16 Ti 4.7801724 0.0000000 0.0000000 0.0000000 4.1555374 0.0000000 0.0000000 0.0000000 5.0849685 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 5 ] 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: 0.76, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 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 5.127 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.459 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 8.227 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.588 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.704 ( 0.000 0.000 0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.857 ( 0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.981 ( 0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 20.244 ( 0.000 0.000 0.000) 0.000 20.928 ( 0.000 0.000 0.000) 0.000 21.346 ( 0.000 0.000 0.000) 0.000 22.856 ( 0.000 0.000 0.000) 0.000 23.144 ( 0.000 0.000 0.000) 0.000 24.421 ( 0.000 0.000 0.000) 0.000 25.967 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 36.727 -38.399 0.000) 53.135 1.146 ( 54.024 -16.747 0.000) 56.560 1.843 ( 90.174 -20.791 0.000) 92.540 5.095 ( -17.725 -1.899 0.000) 17.826 5.146 ( -19.495 -0.740 0.000) 19.509 5.226 ( 8.426 -5.422 0.000) 10.020 5.546 ( 2.710 -0.958 0.000) 2.875 6.492 ( 3.415 0.426 0.000) 3.442 7.496 ( 14.146 2.522 0.000) 14.369 7.633 ( -2.854 3.895 0.000) 4.829 8.054 ( 16.885 9.692 0.000) 19.469 8.145 ( 19.615 -2.080 0.000) 19.725 8.288 ( 6.279 -0.653 0.000) 6.313 8.555 ( 8.077 -1.625 0.000) 8.239 9.434 ( 9.750 18.637 0.000) 21.034 9.737 ( 11.894 -12.005 0.000) 16.899 9.835 ( 7.006 11.233 0.000) 13.239 10.107 ( -5.489 21.024 0.000) 21.729 10.510 ( -7.019 -9.100 0.000) 11.492 10.730 ( 22.326 -12.494 0.000) 25.584 11.421 ( 16.094 0.407 0.000) 16.099 11.716 ( -3.141 2.575 0.000) 4.062 12.275 ( 13.761 13.275 0.000) 19.121 12.321 ( 14.182 5.665 0.000) 15.272 12.627 ( 3.688 -2.558 0.000) 4.488 13.290 ( -7.871 -2.675 0.000) 8.313 13.491 ( -6.239 -4.691 0.000) 7.806 13.645 ( -3.876 0.399 0.000) 3.897 13.841 ( -11.414 -19.561 0.000) 22.648 14.474 ( 0.851 1.292 0.000) 1.547 14.832 ( -6.135 -7.163 0.000) 9.431 15.191 ( -3.713 13.421 0.000) 13.925 15.302 ( -21.233 -31.464 0.000) 37.959 16.004 ( -5.922 -13.409 0.000) 14.658 16.196 ( -1.288 4.228 0.000) 4.420 16.575 ( -29.433 -7.122 0.000) 30.283 17.340 ( -11.236 -0.585 0.000) 11.251 17.924 ( -5.654 0.372 0.000) 5.666 20.008 ( 19.094 24.646 0.000) 31.177 20.458 ( 20.187 0.432 0.000) 20.191 20.564 ( 0.388 -4.555 0.000) 4.572 21.307 ( -3.808 0.248 0.000) 3.816 22.838 ( -2.115 0.019 0.000) 2.115 23.090 ( -4.220 4.007 0.000) 5.819 23.689 ( 52.171 141.042 0.000) 150.381 25.983 ( 0.195 -3.581 0.000) 3.586 26.255 ( -1.264 3.607 0.000) 3.822 26.372 ( -45.997 -109.158 0.000) 118.453 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 36.672 -34.610 0.000) 50.425 2.208 ( 47.333 -16.408 0.000) 50.096 3.596 ( 81.955 -21.167 0.000) 84.645 4.775 ( -19.513 -4.076 0.000) 19.934 4.814 ( -13.070 -5.392 0.000) 14.138 5.500 ( 14.373 -10.836 0.000) 18.000 5.637 ( 6.046 -2.181 0.000) 6.428 6.574 ( 6.703 2.921 0.000) 7.312 7.548 ( -1.710 7.527 0.000) 7.719 7.678 ( 7.846 5.037 0.000) 9.324 8.175 ( 5.123 0.129 0.000) 5.125 8.464 ( 12.449 0.815 0.000) 12.475 8.632 ( -1.884 3.462 0.000) 3.941 8.755 ( 38.478 1.728 0.000) 38.517 9.500 ( 8.554 21.672 0.000) 23.299 9.912 ( 0.346 0.439 0.000) 0.559 10.097 ( 16.315 -2.592 0.000) 16.519 10.126 ( 31.846 6.671 0.000) 32.538 10.447 ( -5.615 -11.290 0.000) 12.609 11.384 ( 37.433 -6.576 0.000) 38.006 11.585 ( -3.366 4.532 0.000) 5.645 11.747 ( 15.994 2.167 0.000) 16.140 12.457 ( 20.475 22.586 0.000) 30.486 12.598 ( 19.249 14.554 0.000) 24.131 12.758 ( 6.479 -4.393 0.000) 7.828 13.118 ( -7.838 5.200 0.000) 9.406 13.275 ( -18.468 -4.761 0.000) 19.071 13.638 ( 0.924 -1.853 0.000) 2.070 13.742 ( -12.057 -15.025 0.000) 19.264 14.514 ( 5.362 1.832 0.000) 5.666 14.745 ( -10.605 -13.342 0.000) 17.043 14.955 ( -7.473 21.019 0.000) 22.308 15.116 ( -18.279 -23.242 0.000) 29.569 15.952 ( -18.307 -17.827 0.000) 25.553 16.073 ( -23.605 -17.206 0.000) 29.211 16.117 ( -1.311 10.061 0.000) 10.146 17.130 ( -11.630 -3.894 0.000) 12.264 17.789 ( -8.212 -0.044 0.000) 8.212 20.187 ( 14.630 16.942 0.000) 22.385 20.610 ( 2.924 0.966 0.000) 3.079 20.840 ( 18.686 4.789 0.000) 19.290 21.237 ( -2.878 -4.071 0.000) 4.986 22.771 ( -5.050 0.430 0.000) 5.069 22.937 ( -8.003 6.862 0.000) 10.542 23.622 ( 23.033 73.716 0.000) 77.230 26.012 ( -0.852 -4.524 0.000) 4.603 26.174 ( -3.726 6.789 0.000) 7.744 26.268 ( -29.889 -59.919 0.000) 66.960 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 34.706 -28.360 0.000) 44.819 3.103 ( 36.818 -14.602 0.000) 39.608 4.528 ( -8.429 -8.744 0.000) 12.145 4.731 ( -0.459 -7.433 0.000) 7.447 5.125 ( 61.108 -19.909 0.000) 64.269 5.819 ( 12.831 -4.360 0.000) 13.552 5.886 ( 15.992 -16.430 0.000) 22.928 6.696 ( 9.622 5.276 0.000) 10.973 7.488 ( 0.819 3.675 0.000) 3.766 7.738 ( 3.769 6.230 0.000) 7.281 8.265 ( 5.795 2.321 0.000) 6.243 8.442 ( -7.953 10.180 0.000) 12.919 8.783 ( 20.035 0.917 0.000) 20.056 9.396 ( 16.155 14.953 0.000) 22.013 9.487 ( 25.147 8.059 0.000) 26.406 10.086 ( 12.634 -3.273 0.000) 13.051 10.265 ( -3.622 -2.671 0.000) 4.501 10.341 ( -6.249 -13.236 0.000) 14.637 10.913 ( 41.044 2.035 0.000) 41.095 11.573 ( 15.546 10.467 0.000) 18.741 11.837 ( 2.222 17.601 0.000) 17.741 12.234 ( 42.222 -4.934 0.000) 42.509 12.608 ( -3.067 24.361 0.000) 24.553 12.715 ( 8.896 -0.297 0.000) 8.901 12.872 ( 4.030 -4.632 0.000) 6.140 13.015 ( -7.827 -1.536 0.000) 7.976 13.079 ( 7.442 6.988 0.000) 10.208 13.648 ( -7.459 -14.103 0.000) 15.954 13.655 ( 3.414 7.214 0.000) 7.981 14.511 ( -4.433 21.241 0.000) 21.699 14.669 ( -9.000 -18.803 0.000) 20.846 14.805 ( 8.595 6.054 0.000) 10.513 15.010 ( -9.506 -23.276 0.000) 25.142 15.639 ( -16.801 -19.671 0.000) 25.869 16.004 ( -9.205 -23.506 0.000) 25.244 16.041 ( 3.377 13.300 0.000) 13.722 16.985 ( -8.488 -7.331 0.000) 11.216 17.641 ( -7.686 -0.857 0.000) 7.733 20.272 ( 7.181 16.844 0.000) 18.311 20.646 ( 1.879 2.081 0.000) 2.804 20.922 ( -1.541 9.378 0.000) 9.504 21.378 ( 9.868 -9.113 0.000) 13.432 22.643 ( -8.179 0.854 0.000) 8.224 22.707 ( -10.881 7.870 0.000) 13.429 23.486 ( 9.920 50.507 0.000) 51.472 25.966 ( -12.165 -12.214 0.000) 17.238 26.015 ( -7.355 9.153 0.000) 11.741 26.163 ( -16.812 -35.911 0.000) 39.652 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 29.941 -19.961 0.000) 35.985 3.756 ( 24.292 -9.706 0.000) 26.160 4.560 ( 3.404 -14.102 0.000) 14.507 4.895 ( 11.556 -7.883 0.000) 13.988 5.880 ( 16.864 -1.282 0.000) 16.912 6.280 ( 11.519 -18.346 0.000) 21.663 6.351 ( 28.681 -15.279 0.000) 32.497 6.858 ( 11.952 4.452 0.000) 12.754 7.605 ( 10.210 -13.079 0.000) 16.592 7.752 ( 2.708 5.284 0.000) 5.938 8.241 ( -4.324 10.277 0.000) 11.150 8.357 ( 7.035 5.909 0.000) 9.188 9.209 ( 26.558 2.194 0.000) 26.648 9.491 ( 14.424 14.623 0.000) 20.540 9.875 ( 4.116 9.867 0.000) 10.691 10.142 ( 6.840 1.347 0.000) 6.971 10.342 ( -3.774 -14.305 0.000) 14.794 10.381 ( 12.752 -5.647 0.000) 13.947 11.182 ( -11.291 16.316 0.000) 19.842 11.871 ( 18.641 10.647 0.000) 21.467 12.022 ( 31.873 4.030 0.000) 32.126 12.327 ( -5.419 25.019 0.000) 25.599 12.727 ( -4.293 -13.794 0.000) 14.447 12.880 ( 20.643 2.106 0.000) 20.750 12.889 ( -7.601 1.223 0.000) 7.699 12.980 ( -3.503 -1.805 0.000) 3.941 13.156 ( 7.198 3.518 0.000) 8.011 13.671 ( 1.464 15.313 0.000) 15.383 13.762 ( 13.060 -8.902 0.000) 15.805 14.363 ( 14.524 21.080 0.000) 25.600 14.660 ( -8.920 -22.900 0.000) 24.576 14.852 ( -1.749 6.383 0.000) 6.618 15.177 ( 11.945 -20.654 0.000) 23.860 15.747 ( 4.164 -25.860 0.000) 26.194 16.070 ( 6.035 -16.904 0.000) 17.949 16.091 ( 12.111 11.457 0.000) 16.672 16.912 ( -5.371 -7.840 0.000) 9.504 17.527 ( -5.476 -1.776 0.000) 5.757 20.212 ( -0.380 16.883 0.000) 16.888 20.646 ( -0.350 1.799 0.000) 1.833 20.790 ( -5.132 7.041 0.000) 8.713 21.585 ( 4.995 -6.891 0.000) 8.511 22.434 ( -12.418 7.584 0.000) 14.551 22.469 ( -9.618 0.276 0.000) 9.622 23.271 ( 0.702 37.041 0.000) 37.048 25.759 ( -21.150 -19.672 0.000) 28.885 25.775 ( -10.828 10.336 0.000) 14.970 26.138 ( -7.901 -18.318 0.000) 19.949 ======================= Grid point 5 (6/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 22.218 -10.661 0.000) 24.643 4.160 ( 15.289 -3.692 0.000) 15.728 4.833 ( 13.482 -15.764 0.000) 20.742 5.220 ( 16.103 -7.151 0.000) 17.620 6.130 ( 11.312 0.804 0.000) 11.340 6.505 ( 2.048 -7.967 0.000) 8.226 6.770 ( 11.156 -9.161 0.000) 14.436 7.074 ( 10.881 -2.470 0.000) 11.158 7.771 ( 0.682 -0.025 0.000) 0.682 7.993 ( 11.321 -29.088 0.000) 31.213 8.207 ( 9.742 6.183 0.000) 11.539 8.407 ( 1.973 8.009 0.000) 8.248 9.431 ( -9.349 3.254 0.000) 9.899 9.681 ( 23.144 2.083 0.000) 23.238 10.057 ( 18.348 9.784 0.000) 20.793 10.281 ( 13.828 15.695 0.000) 20.918 10.414 ( 4.030 -7.213 0.000) 8.262 10.658 ( 15.831 -2.272 0.000) 15.993 10.730 ( -21.480 8.664 0.000) 23.162 11.944 ( -2.855 17.170 0.000) 17.406 12.142 ( 3.689 11.563 0.000) 12.137 12.392 ( -0.257 -3.034 0.000) 3.044 12.601 ( -12.672 5.037 0.000) 13.636 12.838 ( -2.946 1.841 0.000) 3.474 12.961 ( 2.147 14.586 0.000) 14.743 13.013 ( 13.349 -9.351 0.000) 16.298 13.354 ( 4.336 -14.621 0.000) 15.251 13.433 ( -7.119 18.447 0.000) 19.773 14.183 ( 23.186 -3.718 0.000) 23.482 14.605 ( 0.325 -2.786 0.000) 2.804 14.692 ( -1.939 -17.833 0.000) 17.938 14.880 ( 26.496 17.060 0.000) 31.513 15.685 ( 26.320 -14.144 0.000) 29.880 15.856 ( -7.380 -21.933 0.000) 23.142 16.317 ( 17.542 5.155 0.000) 18.284 16.577 ( 31.107 -10.194 0.000) 32.735 16.903 ( -0.406 -5.368 0.000) 5.384 17.465 ( -2.892 -2.365 0.000) 3.736 20.037 ( -5.611 14.838 0.000) 15.863 20.614 ( -1.867 0.836 0.000) 2.046 20.652 ( -4.921 4.960 0.000) 6.987 21.639 ( -3.084 -3.376 0.000) 4.572 22.153 ( -11.898 7.035 0.000) 13.822 22.311 ( -7.564 -2.197 0.000) 7.877 22.995 ( -5.622 26.428 0.000) 27.019 25.484 ( -12.280 9.938 0.000) 15.798 25.495 ( -21.069 -17.582 0.000) 27.442 26.116 ( -5.926 -11.403 0.000) 12.851 ======================= Grid point 6 (7/192) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 9.783 -0.484 0.000) 9.795 4.528 ( 12.793 -3.439 0.000) 13.247 5.226 ( 16.331 -12.415 0.000) 20.514 5.544 ( 13.517 -5.033 0.000) 14.423 6.288 ( 6.270 0.556 0.000) 6.295 6.499 ( -4.236 0.568 0.000) 4.274 7.016 ( 8.577 -9.901 0.000) 13.099 7.236 ( 4.746 -1.901 0.000) 5.112 7.759 ( -1.923 -1.428 0.000) 2.395 8.275 ( -9.546 4.030 0.000) 10.362 8.367 ( 8.252 -23.674 0.000) 25.071 8.555 ( 26.172 -5.471 0.000) 26.738 9.388 ( 7.830 3.266 0.000) 8.484 9.868 ( -1.210 4.596 0.000) 4.752 10.042 ( -7.840 1.817 0.000) 8.047 10.298 ( -3.723 18.159 0.000) 18.537 10.331 ( -19.139 -2.288 0.000) 19.275 10.701 ( 24.739 2.341 0.000) 24.850 11.178 ( 32.044 5.037 0.000) 32.437 11.733 ( 1.593 17.010 0.000) 17.085 12.097 ( -20.494 2.820 0.000) 20.687 12.204 ( 8.055 5.985 0.000) 10.035 12.515 ( -2.573 -1.899 0.000) 3.198 12.707 ( -8.591 -2.784 0.000) 9.031 12.868 ( -6.219 1.613 0.000) 6.425 12.978 ( -9.965 14.581 0.000) 17.661 13.416 ( -8.085 -13.064 0.000) 15.364 13.583 ( 20.515 -1.281 0.000) 20.555 14.515 ( -5.645 1.059 0.000) 5.743 14.549 ( 11.661 -3.336 0.000) 12.129 14.871 ( 11.292 -6.333 0.000) 12.947 15.325 ( 21.044 3.209 0.000) 21.287 15.892 ( 0.609 -10.037 0.000) 10.056 16.236 ( 23.810 -4.142 0.000) 24.168 16.598 ( 11.051 -4.319 0.000) 11.865 16.987 ( 7.044 -0.697 0.000) 7.079 17.184 ( 25.598 -6.374 0.000) 26.380 17.451 ( -0.623 -2.500 0.000) 2.576 19.827 ( -6.481 10.152 0.000) 12.044 20.545 ( -3.486 2.833 0.000) 4.492 20.574 ( -1.905 -0.119 0.000) 1.908 21.547 ( -6.751 -0.112 0.000) 6.752 21.913 ( -8.526 5.834 0.000) 10.331 22.225 ( -4.516 -3.906 0.000) 5.971 22.712 ( -7.705 16.267 0.000) 17.999 25.208 ( -10.081 7.480 0.000) 12.553 25.253 ( -16.008 -12.255 0.000) 20.161 26.085 ( -4.134 -6.601 0.000) 7.789 ======================= Grid point 7 (8/192) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 3.554 0.128 0.000) 3.556 4.693 ( 4.020 -0.424 0.000) 4.042 5.535 ( 8.139 -4.884 0.000) 9.492 5.766 ( 6.486 -2.221 0.000) 6.856 6.355 ( 1.510 0.222 0.000) 1.526 6.397 ( -3.953 1.587 0.000) 4.259 7.190 ( 3.278 -5.063 0.000) 6.032 7.296 ( 1.278 -0.368 0.000) 1.330 7.739 ( -0.804 -0.569 0.000) 0.985 8.096 ( -4.985 1.926 0.000) 5.344 8.626 ( 4.300 -11.456 0.000) 12.236 9.120 ( 24.887 -6.538 0.000) 25.731 9.595 ( 17.011 8.703 0.000) 19.108 9.762 ( -3.875 -1.313 0.000) 4.091 9.849 ( -15.731 -8.518 0.000) 17.889 9.947 ( -20.612 4.678 0.000) 21.136 10.061 ( -5.169 10.614 0.000) 11.806 11.203 ( 28.846 4.050 0.000) 29.129 11.278 ( -3.828 5.911 0.000) 7.042 11.700 ( -23.108 -2.382 0.000) 23.230 12.064 ( 26.815 10.326 0.000) 28.734 12.347 ( 12.265 1.560 0.000) 12.364 12.460 ( -2.784 -0.204 0.000) 2.791 12.622 ( -2.759 -3.405 0.000) 4.383 12.668 ( -18.343 -6.339 0.000) 19.407 12.746 ( -4.333 8.354 0.000) 9.410 13.306 ( -7.831 -5.500 0.000) 9.569 13.881 ( 8.732 -1.421 0.000) 8.847 14.423 ( -2.585 1.707 0.000) 3.098 14.686 ( 2.781 -1.134 0.000) 3.003 15.090 ( 6.759 -1.024 0.000) 6.836 15.524 ( 2.360 -2.876 0.000) 3.720 16.018 ( 5.951 -0.173 0.000) 5.953 16.566 ( 9.682 0.867 0.000) 9.721 16.753 ( 2.543 -4.357 0.000) 5.045 17.113 ( 4.544 0.803 0.000) 4.615 17.470 ( 0.525 -1.633 0.000) 1.715 17.550 ( 9.558 -2.240 0.000) 9.817 19.686 ( -2.807 3.582 0.000) 4.551 20.488 ( -1.215 0.873 0.000) 1.496 20.551 ( -0.721 -0.244 0.000) 0.761 21.444 ( -3.199 0.410 0.000) 3.225 21.774 ( -2.987 2.459 0.000) 3.869 22.188 ( -1.753 -1.901 0.000) 2.586 22.518 ( -3.771 5.565 0.000) 6.722 25.035 ( -3.951 2.838 0.000) 4.865 25.102 ( -6.109 -4.459 0.000) 7.563 26.063 ( -1.514 -2.190 0.000) 2.662 ======================= Grid point 16 (9/192) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 44.649 -0.000 0.000) 44.649 2.088 ( 50.692 -0.000 0.000) 50.692 3.447 ( 85.990 -0.000 0.000) 85.990 4.745 ( -20.885 0.000 0.000) 20.885 4.775 ( -13.183 0.000 0.000) 13.183 5.421 ( 14.116 -0.000 0.000) 14.116 5.622 ( 6.135 -0.000 0.000) 6.135 6.595 ( 7.248 -0.000 0.000) 7.248 7.603 ( -2.711 0.000 0.000) 2.711 7.714 ( 7.578 -0.000 0.000) 7.578 8.180 ( 4.567 -0.000 0.000) 4.567 8.468 ( 13.506 -0.000 0.000) 13.506 8.657 ( 0.174 -0.000 0.000) 0.174 8.769 ( 38.995 -0.000 0.000) 38.995 9.717 ( 13.737 -0.000 0.000) 13.737 9.844 ( -8.460 0.000 0.000) 8.460 10.093 ( 12.945 -0.000 0.000) 12.945 10.209 ( 31.266 -0.000 0.000) 31.266 10.331 ( -8.344 0.000 0.000) 8.344 11.332 ( 42.870 -0.000 0.000) 42.870 11.627 ( -4.744 0.000 0.000) 4.744 11.759 ( 18.290 -0.000 0.000) 18.290 12.649 ( 18.014 -0.000 0.000) 18.014 12.723 ( 7.894 -0.000 0.000) 7.894 12.731 ( 24.815 -0.000 0.000) 24.815 13.143 ( -8.843 0.000 0.000) 8.843 13.223 ( -20.415 0.000 0.000) 20.415 13.610 ( -10.117 0.000 0.000) 10.117 13.625 ( 2.774 -0.000 0.000) 2.774 14.525 ( 5.188 -0.000 0.000) 5.188 14.669 ( -10.321 0.000 0.000) 10.321 14.894 ( -16.219 0.000 0.000) 16.219 15.143 ( -7.603 0.000 0.000) 7.603 15.790 ( -11.038 0.000 0.000) 11.038 15.943 ( -31.537 0.000 0.000) 31.537 16.208 ( 0.446 -0.000 0.000) 0.446 17.099 ( -12.985 0.000 0.000) 12.985 17.788 ( -8.484 0.000 0.000) 8.484 20.319 ( 10.884 -0.000 0.000) 10.884 20.612 ( 3.745 -0.000 0.000) 3.745 20.876 ( 22.436 -0.000 0.000) 22.436 21.206 ( -6.843 0.000 0.000) 6.843 22.774 ( -4.922 0.000 0.000) 4.922 22.966 ( -9.383 0.000 0.000) 9.383 24.507 ( 3.350 -0.000 0.000) 3.350 25.517 ( -15.299 0.000 0.000) 15.299 25.980 ( -0.675 0.000 0.000) 0.675 26.223 ( -3.887 0.000 0.000) 3.887 ======================= Grid point 17 (10/192) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 43.239 -11.768 0.000) 44.812 2.960 ( 40.822 -5.175 0.000) 41.149 4.445 ( -10.969 -2.892 0.000) 11.344 4.665 ( 0.941 -2.133 0.000) 2.332 4.922 ( 67.627 -7.629 0.000) 68.056 5.720 ( 15.098 -6.184 0.000) 16.315 5.782 ( 11.171 -1.194 0.000) 11.235 6.749 ( 9.890 1.982 0.000) 10.087 7.531 ( -3.738 1.772 0.000) 4.137 7.798 ( 3.016 2.093 0.000) 3.671 8.285 ( 7.045 0.717 0.000) 7.081 8.550 ( -8.017 4.311 0.000) 9.103 8.788 ( 20.800 0.002 0.000) 20.800 9.496 ( 38.328 2.465 0.000) 38.408 9.646 ( -1.659 8.986 0.000) 9.138 10.016 ( 14.111 -4.778 0.000) 14.898 10.202 ( -7.037 -5.414 0.000) 8.879 10.241 ( -3.991 -0.724 0.000) 4.056 10.933 ( 42.210 0.694 0.000) 42.216 11.696 ( 16.829 5.334 0.000) 17.654 12.012 ( 9.093 6.535 0.000) 11.198 12.174 ( 43.197 -2.489 0.000) 43.269 12.669 ( -21.836 -3.726 0.000) 22.152 12.869 ( 8.527 1.868 0.000) 8.729 12.908 ( -7.149 13.974 0.000) 15.697 12.999 ( 1.416 -0.804 0.000) 1.628 13.174 ( 18.398 5.739 0.000) 19.273 13.469 ( -5.444 -9.872 0.000) 11.274 13.760 ( 13.037 5.460 0.000) 14.135 14.465 ( -12.772 -7.403 0.000) 14.762 14.692 ( 11.320 4.525 0.000) 12.191 14.701 ( -9.719 -15.035 0.000) 17.902 14.923 ( -8.032 7.090 0.000) 10.714 15.477 ( -16.074 0.713 0.000) 16.090 15.679 ( -9.572 -20.704 0.000) 22.810 16.224 ( 5.239 8.513 0.000) 9.996 16.897 ( -10.029 -4.126 0.000) 10.845 17.632 ( -8.098 -0.352 0.000) 8.106 20.444 ( 4.911 6.557 0.000) 8.192 20.663 ( 1.605 0.411 0.000) 1.657 21.040 ( -5.800 6.149 0.000) 8.453 21.264 ( 13.877 -5.995 0.000) 15.117 22.651 ( -8.253 0.288 0.000) 8.258 22.755 ( -12.723 1.021 0.000) 12.764 24.299 ( 2.562 55.612 0.000) 55.671 25.409 ( -22.134 -49.627 0.000) 54.339 25.967 ( -1.458 -2.648 0.000) 3.023 26.104 ( -7.836 3.185 0.000) 8.459 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 39.199 -10.977 0.000) 40.707 3.649 ( 29.303 -5.223 0.000) 29.765 4.405 ( 2.921 -7.487 0.000) 8.036 4.831 ( 14.669 -1.735 0.000) 14.771 5.854 ( 23.030 -2.224 0.000) 23.137 6.044 ( 11.900 -13.107 0.000) 17.703 6.163 ( 29.428 -9.636 0.000) 30.966 6.920 ( 10.415 3.546 0.000) 11.002 7.484 ( -0.834 -4.803 0.000) 4.875 7.812 ( 0.639 2.950 0.000) 3.019 8.367 ( -5.752 6.918 0.000) 8.997 8.419 ( 8.185 2.932 0.000) 8.694 9.226 ( 25.842 0.359 0.000) 25.844 9.652 ( 5.391 7.820 0.000) 9.499 9.995 ( 0.913 6.776 0.000) 6.837 10.160 ( 19.048 1.021 0.000) 19.076 10.167 ( -1.621 -9.237 0.000) 9.378 10.295 ( 13.101 -5.799 0.000) 14.328 11.377 ( -6.096 10.311 0.000) 11.978 12.041 ( 20.352 11.846 0.000) 23.549 12.092 ( 18.874 6.491 0.000) 19.959 12.498 ( -0.131 -16.470 0.000) 16.470 12.642 ( -8.545 17.689 0.000) 19.645 12.778 ( 14.967 -10.485 0.000) 18.274 12.901 ( -5.071 0.702 0.000) 5.119 12.972 ( -6.015 -0.184 0.000) 6.018 13.368 ( 14.170 19.614 0.000) 24.197 13.658 ( 18.493 -5.533 0.000) 19.303 13.924 ( 8.381 17.765 0.000) 19.642 14.353 ( -8.333 -18.397 0.000) 20.196 14.620 ( 1.376 13.941 0.000) 14.009 14.813 ( 8.143 -25.353 0.000) 26.629 14.948 ( 1.170 3.827 0.000) 4.002 15.433 ( 5.587 -13.030 0.000) 14.178 15.806 ( 11.939 -19.880 0.000) 23.190 16.308 ( 13.372 15.119 0.000) 20.185 16.797 ( -5.261 -8.141 0.000) 9.693 17.506 ( -5.876 -1.110 0.000) 5.980 20.404 ( -2.934 9.564 0.000) 10.004 20.663 ( -1.114 0.622 0.000) 1.276 20.875 ( -7.378 4.470 0.000) 8.626 21.503 ( 7.509 -4.320 0.000) 8.663 22.473 ( -10.482 0.173 0.000) 10.484 22.495 ( -13.913 2.097 0.000) 14.070 23.905 ( -4.080 49.708 0.000) 49.875 25.316 ( -23.061 -41.135 0.000) 47.158 25.890 ( -11.803 5.524 0.000) 13.032 25.969 ( -1.864 -6.221 0.000) 6.494 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( 32.332 -3.545 0.000) 32.526 4.118 ( 19.023 -2.281 0.000) 19.159 4.648 ( 15.797 -10.018 0.000) 18.705 5.180 ( 20.955 1.094 0.000) 20.984 6.143 ( 12.338 1.112 0.000) 12.389 6.320 ( 5.869 -15.779 0.000) 16.835 6.631 ( 11.465 -9.762 0.000) 15.058 7.077 ( 8.654 2.050 0.000) 8.893 7.620 ( 5.139 -21.537 0.000) 22.141 7.781 ( -2.375 1.045 0.000) 2.594 8.299 ( 5.063 6.072 0.000) 7.906 8.500 ( 1.497 4.919 0.000) 5.142 9.463 ( -12.255 1.412 0.000) 12.336 9.676 ( 19.525 -2.130 0.000) 19.641 10.189 ( 9.054 8.390 0.000) 12.344 10.313 ( 13.058 -5.631 0.000) 14.220 10.456 ( 25.906 7.904 0.000) 27.085 10.628 ( 17.498 -1.365 0.000) 17.551 10.877 ( -28.602 10.186 0.000) 30.362 12.150 ( 1.006 13.200 0.000) 13.238 12.326 ( 1.179 -5.300 0.000) 5.430 12.360 ( -5.391 16.207 0.000) 17.080 12.667 ( -15.990 3.837 0.000) 16.444 12.820 ( -9.750 -5.353 0.000) 11.123 12.890 ( 24.849 -4.735 0.000) 25.296 13.041 ( 5.412 -10.270 0.000) 11.609 13.321 ( -2.656 16.072 0.000) 16.290 13.751 ( -6.495 23.897 0.000) 24.764 14.138 ( 24.567 -2.687 0.000) 24.713 14.454 ( 7.226 -14.292 0.000) 16.015 14.591 ( -3.793 0.820 0.000) 3.881 15.056 ( 14.715 1.776 0.000) 14.821 15.327 ( 22.613 -29.848 0.000) 37.447 15.624 ( 9.328 -5.154 0.000) 10.657 16.393 ( 31.892 -15.288 0.000) 35.367 16.480 ( 14.003 12.324 0.000) 18.654 16.842 ( 6.825 -3.197 0.000) 7.537 17.434 ( -3.032 -1.846 0.000) 3.550 20.214 ( -9.490 9.724 0.000) 13.587 20.621 ( -2.758 0.220 0.000) 2.767 20.713 ( -6.802 3.487 0.000) 7.644 21.596 ( -0.080 -2.520 0.000) 2.521 22.225 ( -12.758 3.489 0.000) 13.227 22.286 ( -9.313 -1.331 0.000) 9.408 23.456 ( -10.681 36.999 0.000) 38.509 25.162 ( -19.809 -29.145 0.000) 35.239 25.603 ( -13.986 6.583 0.000) 15.458 25.982 ( -1.936 -7.088 0.000) 7.347 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( 11.121 0.013 0.000) 11.121 4.555 ( 22.059 6.398 0.000) 22.968 5.081 ( 22.115 -8.032 0.000) 23.529 5.532 ( 17.934 3.525 0.000) 18.277 6.308 ( 6.810 2.476 0.000) 7.246 6.448 ( -1.574 -8.227 0.000) 8.376 6.848 ( 5.850 -13.134 0.000) 14.378 7.206 ( 5.106 -1.485 0.000) 5.318 7.726 ( -3.634 -2.774 0.000) 4.572 7.922 ( 5.628 -31.347 0.000) 31.848 8.360 ( -11.258 3.247 0.000) 11.717 8.517 ( 21.022 -0.529 0.000) 21.029 9.420 ( 8.911 1.683 0.000) 9.068 9.897 ( 2.517 -0.413 0.000) 2.551 10.086 ( -11.091 3.915 0.000) 11.762 10.327 ( -24.351 1.714 0.000) 24.411 10.535 ( -5.221 14.027 0.000) 14.967 10.734 ( 29.029 2.235 0.000) 29.115 11.252 ( 36.159 4.158 0.000) 36.397 11.941 ( -3.935 12.350 0.000) 12.962 12.141 ( -21.172 3.460 0.000) 21.453 12.330 ( 8.890 10.648 0.000) 13.871 12.484 ( -1.920 -2.901 0.000) 3.479 12.627 ( -13.466 -6.863 0.000) 15.114 12.981 ( -9.748 13.190 0.000) 16.401 13.174 ( -2.228 10.306 0.000) 10.544 13.229 ( -5.220 -11.864 0.000) 12.961 13.617 ( 12.766 7.816 0.000) 14.969 14.488 ( -7.705 -4.046 0.000) 8.703 14.502 ( 12.781 -3.130 0.000) 13.159 14.786 ( 17.671 -5.231 0.000) 18.428 15.306 ( 7.860 -8.493 0.000) 11.572 15.895 ( 21.025 11.931 0.000) 24.174 15.930 ( 16.567 -29.644 0.000) 33.959 16.614 ( 6.202 1.010 0.000) 6.284 17.049 ( 25.985 -12.440 0.000) 28.809 17.084 ( 20.175 11.335 0.000) 23.141 17.416 ( -0.611 -2.166 0.000) 2.251 19.949 ( -11.699 6.819 0.000) 13.541 20.571 ( -2.375 -0.315 0.000) 2.396 20.581 ( -5.207 2.087 0.000) 5.610 21.549 ( -4.993 0.265 0.000) 5.000 21.985 ( -9.845 4.301 0.000) 10.743 22.171 ( -4.773 -3.476 0.000) 5.905 23.005 ( -13.698 24.132 0.000) 27.748 25.029 ( -12.237 -18.892 0.000) 22.509 25.304 ( -12.817 5.843 0.000) 14.086 25.999 ( -0.753 -5.227 0.000) 5.281 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( 3.772 0.705 0.000) 3.837 4.787 ( 11.071 13.123 0.000) 17.169 5.496 ( 16.893 -0.874 0.000) 16.915 5.772 ( 10.159 3.397 0.000) 10.712 6.368 ( 1.622 1.987 0.000) 2.564 6.410 ( -4.204 -0.522 0.000) 4.237 7.049 ( 4.501 -14.449 0.000) 15.134 7.276 ( 1.161 -2.020 0.000) 2.330 7.699 ( -2.154 -4.810 0.000) 5.270 8.085 ( -7.106 -4.949 0.000) 8.660 8.323 ( 5.090 -26.292 0.000) 26.780 9.036 ( 29.344 -5.133 0.000) 29.790 9.679 ( 18.518 3.519 0.000) 18.849 9.762 ( -12.844 1.359 0.000) 12.916 9.783 ( -19.177 -1.229 0.000) 19.216 10.001 ( -11.385 2.686 0.000) 11.698 10.251 ( -11.284 14.965 0.000) 18.742 11.262 ( 28.049 3.971 0.000) 28.329 11.346 ( -11.790 1.431 0.000) 11.876 11.685 ( -24.612 0.679 0.000) 24.622 12.265 ( 30.774 16.515 0.000) 34.925 12.406 ( 8.249 6.961 0.000) 10.794 12.448 ( -5.296 -2.742 0.000) 5.964 12.515 ( -2.758 -8.132 0.000) 8.587 12.651 ( -17.373 4.525 0.000) 17.952 12.932 ( -7.331 15.271 0.000) 16.940 13.225 ( 0.168 -5.499 0.000) 5.502 13.860 ( 9.814 -1.406 0.000) 9.914 14.370 ( -9.393 -8.295 0.000) 12.531 14.678 ( 5.240 -0.116 0.000) 5.241 15.063 ( 7.653 -2.647 0.000) 8.097 15.482 ( 7.079 -3.323 0.000) 7.820 16.127 ( 12.116 14.936 0.000) 19.233 16.290 ( -1.546 -30.032 0.000) 30.071 16.711 ( 3.785 -2.027 0.000) 4.294 17.317 ( 13.427 18.739 0.000) 23.053 17.448 ( 3.647 -0.916 0.000) 3.761 17.470 ( 10.308 -8.872 0.000) 13.600 19.723 ( -8.672 1.612 0.000) 8.821 20.498 ( -2.688 0.487 0.000) 2.732 20.546 ( -0.558 -0.410 0.000) 0.692 21.456 ( -3.239 1.170 0.000) 3.444 21.812 ( -5.801 2.799 0.000) 6.441 22.154 ( 0.182 -2.827 0.000) 2.833 22.645 ( -10.294 11.791 0.000) 15.652 25.004 ( -0.879 -9.156 0.000) 9.198 25.076 ( -7.755 2.804 0.000) 8.247 26.033 ( 1.710 -1.993 0.000) 2.626 ======================= Grid point 22 (15/192) ======================= q-point: (-0.53 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.536 ( -2.892 1.119 0.000) 3.101 4.804 ( 2.121 14.906 0.000) 15.056 5.637 ( 0.810 9.451 0.000) 9.486 5.825 ( -1.499 5.804 0.000) 5.994 6.356 ( -1.706 0.341 0.000) 1.740 6.377 ( 1.491 -1.027 0.000) 1.810 7.182 ( 0.440 -6.589 0.000) 6.604 7.284 ( -1.710 -1.889 0.000) 2.548 7.711 ( -0.244 -4.511 0.000) 4.517 8.042 ( 0.167 -5.060 0.000) 5.063 8.583 ( 2.299 -17.486 0.000) 17.637 9.213 ( -18.207 6.246 0.000) 19.248 9.464 ( -16.364 -7.545 0.000) 18.020 9.783 ( 1.755 -0.071 0.000) 1.757 9.891 ( 21.343 -1.303 0.000) 21.383 9.967 ( 0.384 -2.549 0.000) 2.578 10.006 ( 8.012 11.899 0.000) 14.345 11.153 ( -29.206 -2.761 0.000) 29.337 11.203 ( -2.996 -6.237 0.000) 6.920 11.737 ( 20.515 2.074 0.000) 20.620 12.015 ( -30.239 5.680 0.000) 30.768 12.350 ( -11.059 1.604 0.000) 11.175 12.455 ( 3.903 -1.657 0.000) 4.241 12.542 ( 0.103 -7.665 0.000) 7.665 12.777 ( 0.209 7.164 0.000) 7.167 12.814 ( 21.293 13.285 0.000) 25.097 13.374 ( 14.297 3.841 0.000) 14.804 13.896 ( -7.831 0.656 0.000) 7.859 14.318 ( -2.152 -12.202 0.000) 12.390 14.711 ( -0.562 2.272 0.000) 2.340 15.090 ( -5.504 -1.046 0.000) 5.603 15.583 ( 1.964 5.582 0.000) 5.917 16.116 ( -0.471 12.523 0.000) 12.532 16.296 ( -19.967 -29.371 0.000) 35.515 16.769 ( 0.988 -0.475 0.000) 1.096 17.315 ( 2.064 18.215 0.000) 18.331 17.503 ( 1.819 4.825 0.000) 5.156 17.534 ( -8.621 -4.357 0.000) 9.660 19.624 ( -3.187 -4.940 0.000) 5.879 20.473 ( -0.277 -1.153 0.000) 1.186 20.552 ( 0.815 -0.125 0.000) 0.824 21.445 ( 3.029 0.455 0.000) 3.063 21.746 ( -0.449 -1.414 0.000) 1.483 22.205 ( 4.048 0.499 0.000) 4.079 22.488 ( -1.547 1.046 0.000) 1.867 24.998 ( -0.208 -2.289 0.000) 2.299 25.130 ( 10.619 -0.358 0.000) 10.625 26.093 ( 4.717 1.887 0.000) 5.081 ======================= Grid point 23 (16/192) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.424 ( -7.378 2.696 0.000) 7.855 4.665 ( -5.325 15.838 0.000) 16.709 5.435 ( -10.229 16.970 0.000) 19.814 5.662 ( -8.576 10.852 0.000) 13.832 6.285 ( -6.509 -0.177 0.000) 6.511 6.457 ( 3.566 -4.392 0.000) 5.657 7.116 ( -8.432 3.581 0.000) 9.161 7.241 ( -4.276 -1.396 0.000) 4.498 7.750 ( 1.464 -3.059 0.000) 3.391 8.148 ( 3.027 -11.290 0.000) 11.689 8.609 ( -2.899 5.172 0.000) 5.929 8.679 ( -27.858 11.490 0.000) 30.134 9.316 ( -5.439 -6.470 0.000) 8.452 9.779 ( -2.222 -7.036 0.000) 7.379 9.941 ( -1.522 -15.989 0.000) 16.062 10.173 ( 5.260 5.930 0.000) 7.927 10.377 ( 18.564 3.577 0.000) 18.906 10.668 ( -18.833 -2.255 0.000) 18.968 11.157 ( -23.952 3.229 0.000) 24.169 11.471 ( -10.381 -18.430 0.000) 21.152 12.052 ( 14.735 -4.217 0.000) 15.326 12.169 ( -7.297 0.759 0.000) 7.336 12.541 ( 3.710 1.377 0.000) 3.957 12.660 ( 5.446 -7.957 0.000) 9.642 12.852 ( 9.480 -2.432 0.000) 9.787 12.923 ( 0.499 8.328 0.000) 8.343 13.587 ( 11.210 10.781 0.000) 15.553 13.610 ( -19.777 1.597 0.000) 19.841 14.436 ( 4.918 -9.850 0.000) 11.010 14.595 ( -11.949 3.111 0.000) 12.347 14.958 ( -3.188 5.740 0.000) 6.566 15.340 ( -23.529 7.203 0.000) 24.607 16.013 ( -30.977 -27.100 0.000) 41.158 16.083 ( 8.693 14.711 0.000) 17.087 16.727 ( -4.476 7.012 0.000) 8.319 17.139 ( -4.932 18.939 0.000) 19.570 17.230 ( -24.805 0.167 0.000) 24.806 17.484 ( 0.317 2.219 0.000) 2.242 19.668 ( 0.987 -11.860 0.000) 11.901 20.502 ( 1.658 -3.166 0.000) 3.574 20.573 ( 1.154 -0.379 0.000) 1.215 21.552 ( 8.182 0.602 0.000) 8.204 21.822 ( 5.427 -6.615 0.000) 8.556 22.278 ( 5.008 3.424 0.000) 6.067 22.550 ( 4.990 -6.689 0.000) 8.345 25.097 ( 6.615 -7.789 0.000) 10.219 25.381 ( 17.933 6.038 0.000) 18.922 26.178 ( 7.551 6.153 0.000) 9.740 ======================= Grid point 24 (17/192) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -10.213 6.528 0.000) 12.121 4.372 ( -13.066 19.710 0.000) 23.647 5.092 ( -10.690 20.614 0.000) 23.221 5.380 ( -11.508 14.832 0.000) 18.773 6.118 ( -11.591 -1.027 0.000) 11.636 6.529 ( 0.308 -3.484 0.000) 3.498 6.880 ( -11.992 6.066 0.000) 13.439 7.126 ( -8.848 2.710 0.000) 9.254 7.785 ( -0.675 1.097 0.000) 1.288 8.155 ( -18.924 0.834 0.000) 18.942 8.221 ( -5.170 -9.989 0.000) 11.248 8.429 ( -7.659 20.378 0.000) 21.769 9.371 ( 5.572 -4.720 0.000) 7.303 9.610 ( -23.949 -7.876 0.000) 25.211 9.899 ( -32.866 -14.510 0.000) 35.926 10.080 ( 1.499 -7.497 0.000) 7.645 10.422 ( 2.484 -7.502 0.000) 7.903 10.689 ( -13.305 2.179 0.000) 13.482 10.727 ( 12.960 9.414 0.000) 16.018 11.656 ( 4.095 -22.401 0.000) 22.772 12.055 ( -7.269 -1.504 0.000) 7.423 12.370 ( 6.065 -7.581 0.000) 9.709 12.544 ( 0.615 -2.507 0.000) 2.581 12.789 ( 2.895 -4.116 0.000) 5.032 12.807 ( -8.896 -6.137 0.000) 10.807 13.062 ( 3.174 -3.426 0.000) 4.670 13.303 ( -1.430 0.662 0.000) 1.575 13.569 ( -3.810 14.651 0.000) 15.138 14.239 ( -20.756 3.961 0.000) 21.131 14.611 ( 4.230 -10.420 0.000) 11.246 14.725 ( -33.592 5.358 0.000) 34.016 14.940 ( 8.345 16.537 0.000) 18.523 15.590 ( -32.247 -22.642 0.000) 39.402 16.168 ( 12.583 20.650 0.000) 24.182 16.458 ( -12.108 19.503 0.000) 22.956 16.681 ( -30.314 4.496 0.000) 30.645 17.000 ( 1.512 8.923 0.000) 9.050 17.497 ( 2.637 1.993 0.000) 3.305 19.803 ( 1.431 -17.586 0.000) 17.644 20.576 ( 2.901 -5.564 0.000) 6.274 20.597 ( 0.516 -1.639 0.000) 1.719 21.689 ( 6.515 3.531 0.000) 7.411 22.016 ( 7.480 -11.981 0.000) 14.125 22.348 ( 5.586 2.858 0.000) 6.274 22.726 ( 6.005 -11.544 0.000) 13.012 25.327 ( 9.893 -11.805 0.000) 15.402 25.679 ( 19.375 9.098 0.000) 21.405 26.283 ( 10.568 11.223 0.000) 15.415 ======================= Grid point 25 (18/192) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( -20.602 26.645 0.000) 33.681 3.922 ( -16.947 13.572 0.000) 21.711 4.800 ( -4.250 19.471 0.000) 19.929 5.065 ( -8.966 15.943 0.000) 18.291 5.886 ( -14.187 -0.572 0.000) 14.199 6.486 ( -5.433 6.689 0.000) 8.618 6.550 ( -21.039 11.399 0.000) 23.929 6.845 ( -16.217 5.388 0.000) 17.089 7.675 ( -7.493 -4.606 0.000) 8.796 7.877 ( -22.439 24.944 0.000) 33.552 8.088 ( 2.709 -10.806 0.000) 11.140 8.246 ( -6.762 -9.599 0.000) 11.741 9.158 ( -26.498 -5.074 0.000) 26.979 9.242 ( -22.787 -19.943 0.000) 30.281 9.724 ( -2.935 -10.886 0.000) 11.275 10.125 ( 2.259 -0.850 0.000) 2.414 10.445 ( -13.417 3.248 0.000) 13.805 10.524 ( 5.282 7.552 0.000) 9.216 10.954 ( 10.117 -12.296 0.000) 15.923 11.761 ( -16.572 -4.801 0.000) 17.254 11.953 ( -1.249 -26.723 0.000) 26.752 11.963 ( -38.731 -4.299 0.000) 38.969 12.747 ( -6.954 -10.710 0.000) 12.769 12.820 ( 11.863 -3.224 0.000) 12.293 12.874 ( 7.248 1.778 0.000) 7.463 13.048 ( 0.399 6.516 0.000) 6.529 13.252 ( -18.924 11.147 0.000) 21.962 13.520 ( 9.165 -6.768 0.000) 11.393 13.900 ( -7.092 9.938 0.000) 12.209 14.094 ( -27.199 -13.027 0.000) 30.158 14.773 ( 3.053 -5.185 0.000) 6.017 14.948 ( 0.635 12.573 0.000) 12.589 15.253 ( -11.156 -6.713 0.000) 13.020 16.091 ( -11.487 20.085 0.000) 23.138 16.138 ( -5.542 18.734 0.000) 19.536 16.296 ( 6.275 16.043 0.000) 17.226 17.019 ( 5.702 7.260 0.000) 9.231 17.553 ( 4.889 1.727 0.000) 5.185 19.939 ( -2.372 -20.948 0.000) 21.082 20.611 ( -0.983 -3.207 0.000) 3.354 20.682 ( 3.032 -7.986 0.000) 8.542 21.693 ( -2.119 8.097 0.000) 8.369 22.240 ( 4.033 -19.509 0.000) 19.922 22.465 ( 8.079 -0.293 0.000) 8.084 22.909 ( 3.541 -13.626 0.000) 14.079 25.602 ( 9.316 -13.755 0.000) 16.613 25.937 ( 14.529 8.493 0.000) 16.829 26.420 ( 15.991 18.233 0.000) 24.252 ======================= Grid point 26 (19/192) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -26.373 34.170 0.000) 43.164 3.365 ( -29.926 21.810 0.000) 37.030 4.691 ( 5.469 13.915 0.000) 14.951 4.883 ( 1.705 14.009 0.000) 14.112 5.427 ( -42.955 19.028 0.000) 46.981 5.933 ( -20.762 13.320 0.000) 24.668 6.165 ( -15.870 21.770 0.000) 26.940 6.609 ( -9.650 -6.389 0.000) 11.573 7.458 ( -9.665 1.106 0.000) 9.728 7.621 ( -5.403 -10.105 0.000) 11.458 8.203 ( -4.535 -7.139 0.000) 8.457 8.278 ( 7.716 -12.261 0.000) 14.486 8.758 ( -19.187 -2.726 0.000) 19.379 9.109 ( -10.347 -23.208 0.000) 25.410 9.417 ( -30.995 -2.782 0.000) 31.119 10.101 ( -14.631 -0.538 0.000) 14.640 10.304 ( 2.026 2.147 0.000) 2.953 10.542 ( 5.352 12.987 0.000) 14.047 10.875 ( -37.247 -3.365 0.000) 37.399 11.427 ( -15.394 -9.808 0.000) 18.253 11.533 ( -5.168 -23.205 0.000) 23.774 12.154 ( -10.090 -21.787 0.000) 24.010 12.420 ( -21.317 4.456 0.000) 21.778 12.715 ( -28.132 1.779 0.000) 28.188 12.943 ( -1.894 2.567 0.000) 3.190 12.994 ( -4.896 -4.586 0.000) 6.708 13.058 ( 13.832 4.500 0.000) 14.545 13.596 ( 4.502 -0.261 0.000) 4.509 13.855 ( 9.393 14.466 0.000) 17.248 14.166 ( 9.562 -24.857 0.000) 26.633 14.736 ( -10.094 -4.620 0.000) 11.101 14.857 ( -1.362 -1.657 0.000) 2.145 15.247 ( 8.612 12.785 0.000) 15.415 15.943 ( 14.424 20.916 0.000) 25.408 16.018 ( 5.293 14.441 0.000) 15.380 16.333 ( 10.528 22.577 0.000) 24.911 17.090 ( 7.330 7.081 0.000) 10.192 17.654 ( 6.938 0.874 0.000) 6.992 19.989 ( -9.306 -22.103 0.000) 23.982 20.602 ( -2.879 -4.230 0.000) 5.117 20.784 ( 0.102 -9.957 0.000) 9.958 21.515 ( -8.785 10.133 0.000) 13.411 22.422 ( -4.753 -31.827 0.000) 32.180 22.627 ( 8.012 -1.426 0.000) 8.138 23.036 ( 0.133 -12.169 0.000) 12.169 25.849 ( 6.457 -13.932 0.000) 15.356 26.077 ( 6.703 7.156 0.000) 9.805 26.628 ( 23.332 25.551 0.000) 34.601 ======================= Grid point 27 (20/192) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -30.589 39.394 0.000) 49.876 2.532 ( -39.690 28.239 0.000) 48.710 4.050 ( -67.406 41.872 0.000) 79.352 4.854 ( 15.090 6.850 0.000) 16.572 4.929 ( 12.384 10.846 0.000) 16.462 5.687 ( -5.632 4.873 0.000) 7.448 5.718 ( -14.843 19.344 0.000) 24.383 6.517 ( -5.157 -4.806 0.000) 7.050 7.412 ( -1.716 -10.328 0.000) 10.470 7.573 ( -8.454 -9.719 0.000) 12.882 8.171 ( -2.901 -1.721 0.000) 3.373 8.433 ( -6.817 -4.320 0.000) 8.071 8.565 ( 2.473 -5.444 0.000) 5.979 8.732 ( -36.771 -0.960 0.000) 36.784 9.163 ( -9.774 -24.518 0.000) 26.394 9.822 ( -15.524 -9.602 0.000) 18.253 10.058 ( -41.024 -2.673 0.000) 41.111 10.154 ( -13.352 3.529 0.000) 13.810 10.605 ( 7.490 10.156 0.000) 12.619 11.440 ( 0.585 -3.509 0.000) 3.557 11.582 ( -25.857 8.177 0.000) 27.119 11.649 ( -5.693 -14.884 0.000) 15.936 12.143 ( -31.669 -15.951 0.000) 35.459 12.379 ( -9.446 -15.422 0.000) 18.085 12.842 ( -4.812 7.075 0.000) 8.557 13.023 ( 4.915 -6.398 0.000) 8.068 13.316 ( 14.771 0.678 0.000) 14.787 13.678 ( 3.642 3.732 0.000) 5.215 13.965 ( 12.728 15.555 0.000) 20.099 14.450 ( -0.083 -9.350 0.000) 9.351 14.662 ( 2.814 -16.471 0.000) 16.710 14.952 ( 11.116 5.317 0.000) 12.322 15.339 ( 9.742 7.496 0.000) 12.292 16.106 ( 14.512 14.952 0.000) 20.837 16.230 ( 24.836 20.266 0.000) 32.056 16.373 ( 15.692 23.044 0.000) 27.879 17.195 ( 9.008 4.828 0.000) 10.221 17.789 ( 7.524 -0.100 0.000) 7.524 19.894 ( -18.595 -22.445 0.000) 29.147 20.572 ( -3.090 -4.492 0.000) 5.452 20.751 ( -12.990 -7.394 0.000) 14.947 21.313 ( -3.390 6.515 0.000) 7.344 22.473 ( -24.047 -51.430 0.000) 56.774 22.762 ( 5.432 -0.859 0.000) 5.499 23.092 ( -0.477 -5.728 0.000) 5.747 26.034 ( 3.267 -12.704 0.000) 13.118 26.100 ( 2.053 7.611 0.000) 7.883 26.917 ( 30.288 31.445 0.000) 43.659 ======================= Grid point 28 (21/192) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -39.276 36.456 0.000) 53.588 1.550 ( -39.449 36.857 0.000) 53.988 2.478 ( -55.603 65.664 0.000) 86.044 5.149 ( 15.763 5.695 0.000) 16.760 5.159 ( 17.961 1.099 0.000) 17.994 5.375 ( -8.470 15.168 0.000) 17.373 5.579 ( -3.250 3.642 0.000) 4.882 6.481 ( -1.158 -0.983 0.000) 1.519 7.425 ( -13.654 -7.441 0.000) 15.550 7.484 ( -1.090 -14.753 0.000) 14.794 8.030 ( -17.879 6.412 0.000) 18.994 8.159 ( -16.856 0.300 0.000) 16.858 8.299 ( -5.443 0.557 0.000) 5.472 8.600 ( -3.977 4.231 0.000) 5.807 9.111 ( -12.062 -25.106 0.000) 27.853 9.600 ( -13.726 -18.893 0.000) 23.353 9.748 ( -7.836 -26.029 0.000) 27.183 9.891 ( -8.932 8.441 0.000) 12.290 10.685 ( 8.871 12.855 0.000) 15.619 10.963 ( -16.796 18.415 0.000) 24.924 11.413 ( -18.184 -0.341 0.000) 18.187 11.675 ( 6.439 -3.559 0.000) 7.357 11.951 ( -11.466 -29.642 0.000) 31.782 12.236 ( -9.749 -5.603 0.000) 11.244 12.701 ( -3.777 7.622 0.000) 8.507 13.222 ( 8.099 -9.864 0.000) 12.763 13.546 ( 8.851 -0.592 0.000) 8.870 13.671 ( 0.515 6.105 0.000) 6.126 14.088 ( 12.273 13.497 0.000) 18.243 14.442 ( -1.223 -3.088 0.000) 3.321 14.920 ( 4.927 -21.510 0.000) 22.067 15.088 ( 12.428 23.051 0.000) 26.188 15.570 ( 16.376 -11.017 0.000) 19.737 16.278 ( 5.187 22.183 0.000) 22.781 16.322 ( 27.963 29.341 0.000) 40.532 16.756 ( 28.836 17.143 0.000) 33.547 17.353 ( 9.419 1.062 0.000) 9.479 17.914 ( 5.067 -0.936 0.000) 5.152 19.576 ( -38.764 -27.526 0.000) 47.543 20.445 ( -18.969 -1.396 0.000) 19.020 20.589 ( 4.015 -2.224 0.000) 4.589 21.303 ( 2.222 -0.238 0.000) 2.235 22.126 ( -65.032 -68.118 0.000) 94.177 22.837 ( 2.398 -0.064 0.000) 2.399 23.123 ( 1.757 -0.236 0.000) 1.773 26.062 ( 0.090 7.613 0.000) 7.613 26.155 ( 1.106 -10.359 0.000) 10.418 27.348 ( 43.872 33.626 0.000) 55.276 ======================= Grid point 29 (22/192) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 42.717 0.000) 42.717 0.743 ( 0.000 52.115 0.000) 52.115 1.334 ( 0.000 93.130 0.000) 93.130 5.203 ( 0.000 10.544 0.000) 10.544 5.305 ( 0.000 1.869 0.000) 1.869 5.361 ( 0.000 1.388 0.000) 1.388 5.521 ( 0.000 0.185 0.000) 0.185 6.470 ( 0.000 1.586 0.000) 1.586 7.296 ( -0.000 -4.599 0.000) 4.599 7.527 ( -0.000 -13.697 0.000) 13.697 7.765 ( 0.000 4.728 0.000) 4.728 7.926 ( 0.000 12.442 0.000) 12.442 8.240 ( 0.000 1.495 0.000) 1.495 8.494 ( 0.000 5.094 0.000) 5.094 9.178 ( -0.000 -24.521 0.000) 24.521 9.668 ( -0.000 -21.336 0.000) 21.336 9.726 ( 0.000 12.713 0.000) 12.713 9.840 ( -0.000 -26.129 0.000) 26.129 10.655 ( 0.000 21.160 0.000) 21.160 10.682 ( 0.000 15.489 0.000) 15.489 11.234 ( -0.000 -3.579 0.000) 3.579 11.739 ( 0.000 0.573 0.000) 0.573 12.021 ( -0.000 -21.268 0.000) 21.268 12.186 ( -0.000 -3.784 0.000) 3.784 12.619 ( 0.000 4.982 0.000) 4.982 13.393 ( -0.000 -9.391 0.000) 9.391 13.583 ( 0.000 8.371 0.000) 8.371 13.681 ( -0.000 -2.825 0.000) 2.825 14.214 ( -0.000 -0.026 0.000) 0.026 14.454 ( -0.000 -2.587 0.000) 2.587 15.053 ( 0.000 22.694 0.000) 22.694 15.109 ( -0.000 -18.928 0.000) 18.928 15.998 ( -0.000 -29.303 0.000) 29.303 16.178 ( 0.000 19.413 0.000) 19.413 16.952 ( 0.000 12.703 0.000) 12.703 17.156 ( -0.000 -0.407 0.000) 0.407 17.457 ( -0.000 -0.119 0.000) 0.119 17.966 ( -0.000 -1.395 0.000) 1.395 18.485 ( 0.000 19.473 0.000) 19.473 20.243 ( -0.000 -0.236 0.000) 0.236 20.926 ( -0.000 -0.245 0.000) 0.245 21.070 ( -0.000 -15.767 0.000) 15.767 21.337 ( -0.000 -1.311 0.000) 1.311 22.857 ( 0.000 0.167 0.000) 0.167 23.145 ( 0.000 0.101 0.000) 0.101 26.011 ( 0.000 5.937 0.000) 5.937 26.227 ( -0.000 -7.201 0.000) 7.201 27.963 ( -0.000 -3.541 0.000) 3.541 ======================= Grid point 32 (23/192) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 43.229 -0.000 0.000) 43.229 3.611 ( 31.030 -0.000 0.000) 31.030 4.351 ( 2.768 -0.000 0.000) 2.768 4.823 ( 16.356 -0.000 0.000) 16.356 5.833 ( 27.640 -0.000 0.000) 27.640 5.945 ( 11.172 -0.000 0.000) 11.172 6.095 ( 26.775 -0.000 0.000) 26.775 6.947 ( 10.108 -0.000 0.000) 10.108 7.451 ( -4.665 0.000 0.000) 4.665 7.833 ( 0.035 -0.000 0.000) 0.035 8.420 ( -6.391 0.000 0.000) 6.391 8.440 ( 8.627 -0.000 0.000) 8.627 9.227 ( 25.333 -0.000 0.000) 25.333 9.708 ( 0.517 -0.000 0.000) 0.517 10.051 ( -3.174 0.000 0.000) 3.174 10.099 ( -0.420 0.000 0.000) 0.420 10.166 ( 28.565 -0.000 0.000) 28.565 10.245 ( 12.503 -0.000 0.000) 12.503 11.454 ( -1.601 0.000 0.000) 1.601 12.145 ( 23.166 -0.000 0.000) 23.166 12.181 ( 5.410 -0.000 0.000) 5.410 12.332 ( 7.366 -0.000 0.000) 7.366 12.676 ( 3.658 -0.000 0.000) 3.658 12.788 ( -3.340 0.000 0.000) 3.340 12.907 ( -3.801 0.000 0.000) 3.801 12.970 ( -7.203 0.000 0.000) 7.203 13.574 ( 13.412 -0.000 0.000) 13.412 13.588 ( 26.416 -0.000 0.000) 26.416 14.075 ( 11.394 -0.000 0.000) 11.394 14.205 ( -7.646 0.000 0.000) 7.646 14.597 ( 5.409 -0.000 0.000) 5.409 14.755 ( -4.242 0.000 0.000) 4.242 14.895 ( -2.308 0.000 0.000) 2.308 15.453 ( 7.282 -0.000 0.000) 7.282 15.573 ( 17.842 -0.000 0.000) 17.842 16.440 ( 15.032 -0.000 0.000) 15.032 16.718 ( -7.171 0.000 0.000) 7.171 17.498 ( -6.017 0.000 0.000) 6.017 20.473 ( -4.029 0.000 0.000) 4.029 20.667 ( -1.337 0.000 0.000) 1.337 20.908 ( -8.549 0.000 0.000) 8.549 21.471 ( 8.735 -0.000 0.000) 8.735 22.474 ( -10.761 0.000 0.000) 10.761 22.508 ( -13.878 0.000 0.000) 13.878 24.566 ( -0.645 0.000 0.000) 0.645 24.715 ( -27.687 0.000 0.000) 27.687 25.928 ( -1.556 0.000 0.000) 1.556 25.929 ( -12.140 0.000 0.000) 12.140 ======================= Grid point 33 (24/192) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 39.476 -0.409 0.000) 39.478 4.095 ( 20.883 -0.910 0.000) 20.903 4.551 ( 17.095 -3.457 0.000) 17.441 5.220 ( 25.583 2.858 0.000) 25.742 6.129 ( 5.685 -8.458 0.000) 10.191 6.157 ( 13.640 0.608 0.000) 13.653 6.522 ( 12.449 -4.459 0.000) 13.223 7.105 ( 7.364 1.311 0.000) 7.480 7.408 ( -1.546 -7.709 0.000) 7.862 7.793 ( -4.276 0.465 0.000) 4.301 8.363 ( 2.617 2.528 0.000) 3.638 8.546 ( 0.982 1.653 0.000) 1.923 9.476 ( -13.422 0.385 0.000) 13.427 9.644 ( 16.797 -1.641 0.000) 16.877 10.261 ( 18.944 -1.680 0.000) 19.018 10.282 ( 0.478 3.957 0.000) 3.986 10.497 ( 38.624 -0.445 0.000) 38.626 10.635 ( 15.664 1.346 0.000) 15.722 10.987 ( -33.045 4.425 0.000) 33.340 12.263 ( 2.284 -2.797 0.000) 3.611 12.329 ( -0.650 10.442 0.000) 10.463 12.511 ( -8.808 2.544 0.000) 9.169 12.693 ( -9.888 -0.487 0.000) 9.900 12.758 ( -7.725 -1.065 0.000) 7.798 12.858 ( 18.429 -1.107 0.000) 18.462 12.897 ( 6.785 -5.511 0.000) 8.741 13.549 ( -7.903 10.352 0.000) 13.024 14.042 ( -6.696 13.490 0.000) 15.060 14.107 ( 23.534 -1.436 0.000) 23.578 14.333 ( 17.501 -2.007 0.000) 17.616 14.638 ( -10.668 6.276 0.000) 12.377 14.902 ( 4.533 -15.866 0.000) 16.501 14.952 ( 23.511 -18.352 0.000) 29.826 15.733 ( 26.643 12.809 0.000) 29.562 16.168 ( 32.833 -13.935 0.000) 35.668 16.604 ( 0.283 4.539 0.000) 4.548 16.813 ( 20.729 -0.918 0.000) 20.750 17.416 ( -3.047 -0.686 0.000) 3.123 20.308 ( -11.949 3.367 0.000) 12.414 20.622 ( -3.116 -0.019 0.000) 3.116 20.748 ( -8.004 1.269 0.000) 8.104 21.571 ( 1.726 -0.948 0.000) 1.969 22.258 ( -12.511 1.162 0.000) 12.565 22.273 ( -10.317 -0.439 0.000) 10.326 23.997 ( -22.172 35.363 0.000) 41.739 24.699 ( -10.303 -32.477 0.000) 34.072 25.667 ( -14.870 2.299 0.000) 15.047 25.916 ( -0.528 -2.251 0.000) 2.312 ======================= Grid point 34 (25/192) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 11.847 -0.274 0.000) 11.850 4.672 ( 31.104 8.298 0.000) 32.192 4.997 ( 26.650 -3.796 0.000) 26.919 5.636 ( 22.058 9.969 0.000) 24.207 6.278 ( 1.569 -13.965 0.000) 14.053 6.355 ( 8.687 3.494 0.000) 9.363 6.669 ( 1.093 -10.542 0.000) 10.599 7.204 ( 4.312 0.816 0.000) 4.389 7.529 ( 3.063 -21.677 0.000) 21.893 7.690 ( -6.426 -2.018 0.000) 6.736 8.389 ( -14.787 1.158 0.000) 14.832 8.522 ( 16.701 0.743 0.000) 16.717 9.439 ( 9.685 0.954 0.000) 9.732 9.875 ( 7.776 -1.836 0.000) 7.990 10.136 ( -13.016 2.681 0.000) 13.289 10.363 ( -30.018 2.564 0.000) 30.127 10.688 ( -3.977 7.360 0.000) 8.365 10.761 ( 31.592 1.425 0.000) 31.624 11.286 ( 35.343 0.836 0.000) 35.353 12.090 ( -8.598 8.424 0.000) 12.037 12.199 ( -16.389 4.824 0.000) 17.084 12.411 ( -9.469 -7.347 0.000) 11.985 12.463 ( 7.202 6.605 0.000) 9.772 12.555 ( -11.655 -2.531 0.000) 11.926 13.030 ( 1.579 -7.244 0.000) 7.414 13.251 ( 11.558 1.818 0.000) 11.700 13.263 ( -12.090 15.502 0.000) 19.659 13.800 ( -2.967 15.220 0.000) 15.507 14.410 ( -13.587 -6.618 0.000) 15.113 14.464 ( 14.732 -2.009 0.000) 14.868 14.731 ( 20.157 -2.211 0.000) 20.278 15.148 ( 10.826 -10.572 0.000) 15.132 15.522 ( 17.182 -24.695 0.000) 30.085 16.151 ( 28.448 20.602 0.000) 35.125 16.610 ( 2.100 -0.824 0.000) 2.256 16.838 ( 25.735 -16.576 0.000) 30.611 17.230 ( 24.815 7.479 0.000) 25.918 17.395 ( 0.348 -0.596 0.000) 0.690 20.020 ( -15.441 3.214 0.000) 15.772 20.567 ( -2.554 -0.223 0.000) 2.564 20.604 ( -6.450 1.098 0.000) 6.543 21.553 ( -3.425 0.298 0.000) 3.438 22.034 ( -10.266 2.427 0.000) 10.549 22.131 ( -5.391 -2.071 0.000) 5.775 23.359 ( -23.574 23.292 0.000) 33.140 24.740 ( -4.241 -19.839 0.000) 20.287 25.369 ( -14.543 3.192 0.000) 14.889 25.942 ( 1.425 -2.776 0.000) 3.120 ======================= Grid point 35 (26/192) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( 4.168 0.452 0.000) 4.192 5.037 ( 18.980 20.298 0.000) 27.789 5.502 ( 24.572 1.564 0.000) 24.621 5.865 ( 10.821 9.514 0.000) 14.409 6.362 ( -0.829 -6.604 0.000) 6.655 6.421 ( 2.149 5.503 0.000) 5.907 6.796 ( 1.674 -20.002 0.000) 20.072 7.255 ( 1.334 -0.325 0.000) 1.373 7.615 ( -4.416 -6.382 0.000) 7.761 7.804 ( 5.876 -29.221 0.000) 29.806 8.126 ( -11.624 -3.576 0.000) 12.162 8.978 ( 30.427 -2.980 0.000) 30.572 9.715 ( 17.920 1.838 0.000) 18.014 9.787 ( -21.086 0.948 0.000) 21.108 9.795 ( -19.771 2.890 0.000) 19.981 10.021 ( -2.510 0.312 0.000) 2.529 10.462 ( -11.065 13.980 0.000) 17.829 11.300 ( -21.841 -6.888 0.000) 22.902 11.312 ( 26.906 2.912 0.000) 27.063 11.720 ( -26.614 3.934 0.000) 26.904 12.326 ( -7.971 -11.346 0.000) 13.866 12.437 ( 35.335 7.333 0.000) 36.088 12.470 ( 0.464 -0.509 0.000) 0.688 12.540 ( 6.823 7.768 0.000) 10.339 12.828 ( -18.148 20.388 0.000) 27.295 13.154 ( -8.935 15.140 0.000) 17.580 13.162 ( 7.435 -3.059 0.000) 8.040 13.847 ( 8.683 -0.107 0.000) 8.683 14.215 ( -15.183 -12.558 0.000) 19.704 14.679 ( 7.490 0.051 0.000) 7.490 15.018 ( 7.562 -3.461 0.000) 8.316 15.435 ( 14.351 -2.931 0.000) 14.647 15.854 ( -2.511 -28.681 0.000) 28.791 16.403 ( 13.843 22.373 0.000) 26.309 16.682 ( 3.959 -1.911 0.000) 4.396 17.299 ( 10.931 -15.044 0.000) 18.596 17.410 ( 1.202 -1.248 0.000) 1.733 17.579 ( 18.662 13.946 0.000) 23.298 19.735 ( -13.132 0.233 0.000) 13.134 20.502 ( -3.870 0.191 0.000) 3.875 20.540 ( -0.480 -0.343 0.000) 0.590 21.475 ( -3.230 1.320 0.000) 3.489 21.849 ( -7.678 2.220 0.000) 7.992 22.113 ( 1.520 -2.612 0.000) 3.022 22.831 ( -18.294 13.183 0.000) 22.549 24.857 ( 5.716 -10.522 0.000) 11.974 25.111 ( -10.587 2.062 0.000) 10.786 26.009 ( 4.204 -1.378 0.000) 4.424 ======================= Grid point 36 (27/192) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( -1.421 1.896 0.000) 2.369 5.102 ( 7.192 26.217 0.000) 27.186 5.793 ( 10.009 11.750 0.000) 15.435 5.922 ( 2.019 7.547 0.000) 7.813 6.365 ( -0.476 -1.066 0.000) 1.167 6.372 ( -3.197 2.514 0.000) 4.068 7.000 ( 3.513 -18.748 0.000) 19.074 7.255 ( -1.976 -1.443 0.000) 2.447 7.617 ( -1.399 -8.363 0.000) 8.479 7.968 ( -2.521 -5.176 0.000) 5.758 8.198 ( 4.721 -32.617 0.000) 32.957 9.292 ( -14.204 4.619 0.000) 14.936 9.401 ( -17.351 -1.957 0.000) 17.461 9.739 ( 23.796 -4.435 0.000) 24.206 9.930 ( 0.065 4.997 0.000) 4.998 9.960 ( -3.703 1.068 0.000) 3.853 10.177 ( 3.281 12.093 0.000) 12.530 11.056 ( -9.828 -14.236 0.000) 17.299 11.131 ( -30.521 -0.291 0.000) 30.523 11.736 ( 14.137 -2.695 0.000) 14.392 12.219 ( -31.649 17.687 0.000) 36.256 12.393 ( 9.046 -5.040 0.000) 10.355 12.404 ( -7.492 8.527 0.000) 11.350 12.496 ( 1.346 -0.323 0.000) 1.384 12.900 ( -6.379 10.128 0.000) 11.969 13.022 ( 23.486 15.189 0.000) 27.969 13.411 ( 18.456 1.273 0.000) 18.500 13.893 ( -10.397 -1.725 0.000) 10.539 14.114 ( -1.045 -14.801 0.000) 14.837 14.747 ( 1.215 2.688 0.000) 2.950 15.059 ( -4.448 -3.342 0.000) 5.564 15.668 ( 9.146 5.727 0.000) 10.791 15.846 ( -20.849 -31.801 0.000) 38.026 16.347 ( -1.366 19.093 0.000) 19.142 16.758 ( 2.692 -0.906 0.000) 2.841 17.428 ( -7.215 -10.452 0.000) 12.700 17.435 ( 1.355 1.367 0.000) 1.925 17.685 ( 3.922 16.791 0.000) 17.243 19.553 ( -8.109 -4.784 0.000) 9.415 20.457 ( -1.539 -1.115 0.000) 1.900 20.548 ( 0.717 -0.407 0.000) 0.825 21.455 ( 2.719 0.944 0.000) 2.878 21.733 ( -3.577 -0.351 0.000) 3.594 22.204 ( 6.268 -0.554 0.000) 6.292 22.534 ( -6.537 4.679 0.000) 8.039 24.971 ( -3.934 -1.477 0.000) 4.202 25.102 ( 15.067 -3.149 0.000) 15.393 26.115 ( 7.231 1.255 0.000) 7.339 ======================= Grid point 37 (28/192) ======================= q-point: (-0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.480 ( -3.981 5.012 0.000) 6.401 4.971 ( -0.377 26.676 0.000) 26.679 5.706 ( -4.523 20.836 0.000) 21.322 5.834 ( -3.498 12.609 0.000) 13.085 6.279 ( -7.175 -0.538 0.000) 7.196 6.391 ( 0.998 -4.566 0.000) 4.674 7.096 ( -5.099 -7.336 0.000) 8.934 7.206 ( -4.875 -2.838 0.000) 5.641 7.672 ( 0.870 -7.826 0.000) 7.875 7.982 ( -2.103 -10.806 0.000) 11.009 8.470 ( 1.099 -23.230 0.000) 23.256 8.856 ( -24.122 12.086 0.000) 26.981 9.243 ( -1.565 -2.866 0.000) 3.266 9.694 ( -10.346 -4.038 0.000) 11.106 9.734 ( -11.638 -10.968 0.000) 15.992 10.315 ( 8.558 10.390 0.000) 13.461 10.416 ( 16.801 1.354 0.000) 16.855 10.637 ( -10.315 -2.150 0.000) 10.536 11.121 ( 2.842 -15.916 0.000) 16.168 11.401 ( -40.770 16.195 0.000) 43.869 11.956 ( 6.716 -9.464 0.000) 11.605 12.213 ( -7.005 5.135 0.000) 8.685 12.526 ( 1.479 -1.798 0.000) 2.328 12.619 ( 10.445 2.421 0.000) 10.722 12.841 ( 4.679 -0.274 0.000) 4.687 13.073 ( -5.140 11.635 0.000) 12.720 13.611 ( -18.345 -1.837 0.000) 18.437 13.721 ( 14.545 8.096 0.000) 16.646 14.270 ( 5.447 -11.886 0.000) 13.075 14.633 ( -13.470 2.059 0.000) 13.626 15.029 ( 5.004 4.071 0.000) 6.451 15.517 ( -18.590 16.186 0.000) 24.649 15.578 ( -31.576 -32.304 0.000) 45.173 16.281 ( 9.128 12.555 0.000) 15.523 16.784 ( 0.242 2.078 0.000) 2.092 17.193 ( -23.093 -5.171 0.000) 23.665 17.411 ( -2.272 13.630 0.000) 13.818 17.535 ( -4.399 8.180 0.000) 9.288 19.501 ( -3.947 -11.233 0.000) 11.906 20.458 ( 0.043 -2.934 0.000) 2.934 20.564 ( 0.315 -0.873 0.000) 0.928 21.564 ( 9.103 0.920 0.000) 9.150 21.735 ( 1.406 -5.387 0.000) 5.567 22.320 ( 6.184 2.373 0.000) 6.624 22.505 ( 3.910 -0.433 0.000) 3.934 24.993 ( 2.931 -6.715 0.000) 7.327 25.435 ( 19.757 2.001 0.000) 19.858 26.254 ( 9.908 4.418 0.000) 10.848 ======================= Grid point 38 (29/192) ======================= q-point: (-0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( -4.721 9.842 0.000) 10.916 4.713 ( -6.745 27.978 0.000) 28.779 5.414 ( -8.041 24.406 0.000) 25.696 5.625 ( -6.676 18.961 0.000) 20.102 6.097 ( -12.853 -1.843 0.000) 12.984 6.445 ( -0.269 -7.218 0.000) 7.223 6.935 ( -12.460 1.147 0.000) 12.512 7.119 ( -7.051 -3.406 0.000) 7.830 7.755 ( 2.568 -5.817 0.000) 6.358 8.015 ( -5.304 -16.380 0.000) 17.217 8.274 ( -26.268 15.112 0.000) 30.305 8.555 ( -4.038 -7.315 0.000) 8.355 9.332 ( 8.160 -0.233 0.000) 8.163 9.467 ( -22.959 -11.481 0.000) 25.669 9.665 ( -19.264 -15.246 0.000) 24.567 10.139 ( -13.290 14.841 0.000) 19.922 10.272 ( -6.013 -12.126 0.000) 13.535 10.732 ( -14.933 4.604 0.000) 15.626 10.911 ( 15.765 14.347 0.000) 21.316 11.332 ( 2.949 -22.159 0.000) 22.355 12.073 ( -6.947 3.168 0.000) 7.635 12.192 ( 6.524 -15.924 0.000) 17.208 12.509 ( -6.043 -2.672 0.000) 6.608 12.748 ( 5.538 -1.824 0.000) 5.831 12.777 ( -17.440 1.097 0.000) 17.474 13.000 ( 8.452 -3.694 0.000) 9.224 13.351 ( -4.982 4.149 0.000) 6.483 13.760 ( -3.272 12.029 0.000) 12.466 14.291 ( -18.289 3.122 0.000) 18.553 14.442 ( 1.165 -10.996 0.000) 11.058 14.910 ( -27.858 17.761 0.000) 33.038 15.132 ( -7.338 -1.565 0.000) 7.503 15.214 ( -12.464 -15.826 0.000) 20.145 16.411 ( 11.923 11.893 0.000) 16.840 16.704 ( -4.490 12.768 0.000) 13.535 16.722 ( -25.946 2.631 0.000) 26.079 17.180 ( -3.079 16.565 0.000) 16.848 17.518 ( 2.245 0.817 0.000) 2.389 19.549 ( -2.531 -17.613 0.000) 17.794 20.498 ( 1.086 -5.280 0.000) 5.390 20.568 ( -1.122 -2.316 0.000) 2.574 21.737 ( 9.689 3.162 0.000) 10.192 21.837 ( 1.948 -12.070 0.000) 12.226 22.390 ( 3.994 3.051 0.000) 5.026 22.639 ( 8.541 -2.039 0.000) 8.781 25.157 ( 7.080 -11.743 0.000) 13.712 25.775 ( 18.898 4.885 0.000) 19.519 26.419 ( 12.695 7.647 0.000) 14.820 ======================= Grid point 39 (30/192) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( -9.020 16.864 0.000) 19.124 4.311 ( -14.191 31.526 0.000) 34.573 5.108 ( -5.535 23.459 0.000) 24.103 5.341 ( -6.722 22.397 0.000) 23.384 5.863 ( -13.655 -2.644 0.000) 13.909 6.466 ( -2.881 -6.167 0.000) 6.807 6.664 ( -15.344 4.879 0.000) 16.101 6.961 ( -11.463 5.348 0.000) 12.649 7.672 ( -16.405 6.544 0.000) 17.662 7.938 ( 0.487 -10.209 0.000) 10.221 8.014 ( -7.461 -14.809 0.000) 16.582 8.331 ( -20.040 25.637 0.000) 32.540 8.957 ( -35.100 -16.341 0.000) 38.718 9.063 ( -25.425 -8.288 0.000) 26.742 9.582 ( 2.432 -8.543 0.000) 8.882 10.120 ( 7.606 0.367 0.000) 7.615 10.412 ( 4.126 -20.918 0.000) 21.321 10.475 ( -15.912 1.262 0.000) 15.962 10.963 ( 2.734 10.782 0.000) 11.124 11.556 ( 2.578 -25.657 0.000) 25.786 11.759 ( -25.075 1.330 0.000) 25.111 11.907 ( -36.782 -3.131 0.000) 36.915 12.621 ( -0.932 -7.391 0.000) 7.450 12.725 ( 15.816 -8.403 0.000) 17.910 12.877 ( 7.880 -3.172 0.000) 8.495 13.132 ( 1.637 5.324 0.000) 5.569 13.411 ( -24.890 10.742 0.000) 27.109 13.418 ( 10.336 -7.030 0.000) 12.500 14.034 ( -2.758 8.610 0.000) 9.041 14.074 ( -29.781 9.483 0.000) 31.255 14.697 ( 0.418 -5.567 0.000) 5.583 14.772 ( -29.014 -28.241 0.000) 40.489 15.362 ( 15.919 17.094 0.000) 23.358 16.269 ( -13.489 5.803 0.000) 14.685 16.482 ( -1.567 25.447 0.000) 25.495 16.560 ( 13.235 19.994 0.000) 23.978 17.127 ( 5.025 8.558 0.000) 9.924 17.572 ( 4.208 0.809 0.000) 4.285 19.630 ( -4.742 -22.000 0.000) 22.506 20.555 ( -2.876 -4.525 0.000) 5.361 20.569 ( 1.316 -7.748 0.000) 7.859 21.811 ( 1.294 8.376 0.000) 8.475 21.943 ( -3.538 -19.902 0.000) 20.214 22.461 ( 5.718 -0.275 0.000) 5.724 22.819 ( 9.016 -1.476 0.000) 9.136 25.394 ( 7.438 -15.150 0.000) 16.877 26.039 ( 13.524 6.253 0.000) 14.899 26.624 ( 16.716 10.482 0.000) 19.731 ======================= Grid point 40 (31/192) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -21.589 26.446 0.000) 34.139 3.735 ( -22.597 34.888 0.000) 41.567 4.918 ( 1.690 17.665 0.000) 17.746 5.129 ( 1.637 20.282 0.000) 20.348 5.593 ( -19.760 4.788 0.000) 20.332 6.199 ( -25.350 20.603 0.000) 32.666 6.415 ( -5.902 4.186 0.000) 7.236 6.589 ( -16.990 11.882 0.000) 20.733 7.459 ( -9.078 -11.953 0.000) 15.009 7.576 ( -23.436 17.090 0.000) 29.005 8.047 ( -5.464 -14.505 0.000) 15.500 8.103 ( 6.812 -12.187 0.000) 13.962 8.703 ( -18.076 -5.036 0.000) 18.765 8.758 ( -11.358 -25.664 0.000) 28.065 9.409 ( -24.192 1.589 0.000) 24.244 10.085 ( -18.517 -1.433 0.000) 18.572 10.316 ( 1.226 -0.441 0.000) 1.303 10.599 ( 2.184 -11.254 0.000) 11.464 10.816 ( -28.115 -3.979 0.000) 28.395 11.279 ( -19.790 -12.240 0.000) 23.269 11.299 ( -15.973 -4.028 0.000) 16.473 11.838 ( 5.777 -18.856 0.000) 19.721 12.537 ( -21.560 9.261 0.000) 23.464 12.771 ( -30.450 4.537 0.000) 30.786 12.947 ( -7.814 -2.336 0.000) 8.156 12.954 ( 2.395 0.837 0.000) 2.537 13.099 ( 11.466 0.154 0.000) 11.467 13.645 ( 6.199 4.653 0.000) 7.751 13.859 ( 10.765 -15.084 0.000) 18.532 14.047 ( 10.406 12.225 0.000) 16.054 14.558 ( -16.216 -32.939 0.000) 36.714 14.660 ( -9.032 -6.217 0.000) 10.965 15.508 ( 14.448 21.614 0.000) 25.998 16.200 ( 14.333 14.654 0.000) 20.498 16.358 ( 9.698 28.348 0.000) 29.961 16.645 ( 11.503 21.110 0.000) 24.041 17.185 ( 6.274 6.467 0.000) 9.010 17.663 ( 5.969 0.236 0.000) 5.974 19.661 ( -9.975 -23.509 0.000) 25.537 20.526 ( -4.478 -6.326 0.000) 7.751 20.643 ( -0.620 -9.650 0.000) 9.670 21.666 ( -8.291 11.034 0.000) 13.802 21.969 ( -12.657 -28.280 0.000) 30.983 22.602 ( 7.719 -2.104 0.000) 8.001 22.975 ( 6.944 -0.134 0.000) 6.946 25.628 ( 5.265 -16.784 0.000) 17.591 26.182 ( 7.491 7.562 0.000) 10.644 26.889 ( 20.471 11.971 0.000) 23.714 ======================= Grid point 41 (32/192) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -32.921 34.674 0.000) 47.813 2.988 ( -31.338 35.044 0.000) 47.012 4.719 ( -41.244 47.744 0.000) 63.091 4.969 ( 6.022 9.657 0.000) 11.381 5.120 ( 10.594 15.761 0.000) 18.991 5.787 ( -6.390 10.211 0.000) 12.046 6.036 ( -14.850 24.751 0.000) 28.864 6.444 ( -3.024 -5.294 0.000) 6.096 7.292 ( -6.684 -5.198 0.000) 8.468 7.403 ( -9.078 -14.079 0.000) 16.752 8.080 ( -1.336 -11.867 0.000) 11.942 8.326 ( 4.738 -10.523 0.000) 11.540 8.491 ( -5.441 -4.867 0.000) 7.300 8.692 ( -22.360 -11.904 0.000) 25.332 8.883 ( -20.461 -6.979 0.000) 21.619 9.682 ( -26.769 -9.244 0.000) 28.320 10.046 ( -44.879 0.590 0.000) 44.883 10.180 ( -12.112 0.141 0.000) 12.113 10.689 ( 4.086 -2.135 0.000) 4.611 11.321 ( 9.050 -12.051 0.000) 15.071 11.341 ( -0.110 -21.189 0.000) 21.189 11.744 ( -24.572 11.630 0.000) 27.186 12.064 ( -37.176 2.153 0.000) 37.238 12.184 ( -4.221 -10.615 0.000) 11.424 12.948 ( -1.292 7.336 0.000) 7.449 12.965 ( 3.118 -1.530 0.000) 3.473 13.298 ( 9.736 -2.831 0.000) 10.139 13.738 ( 6.425 4.384 0.000) 7.779 14.180 ( 12.774 14.545 0.000) 19.358 14.231 ( 11.394 -17.570 0.000) 20.941 14.532 ( -6.001 -4.684 0.000) 7.612 14.660 ( -1.169 -38.776 0.000) 38.794 15.583 ( 11.190 24.209 0.000) 26.670 16.449 ( 21.399 27.447 0.000) 34.803 16.504 ( 25.434 17.551 0.000) 30.902 16.700 ( 14.005 22.405 0.000) 26.423 17.260 ( 6.072 4.056 0.000) 7.303 17.784 ( 6.638 -0.643 0.000) 6.669 19.580 ( -16.603 -21.372 0.000) 27.063 20.484 ( -4.922 -7.610 0.000) 9.063 20.637 ( -8.854 -8.433 0.000) 12.227 21.419 ( -8.278 8.331 0.000) 11.744 21.850 ( -25.605 -34.529 0.000) 42.987 22.747 ( 6.071 -1.322 0.000) 6.213 23.075 ( 4.197 0.775 0.000) 4.268 25.820 ( 2.575 -16.918 0.000) 17.113 26.221 ( 3.425 9.084 0.000) 9.709 27.208 ( 23.061 11.311 0.000) 25.686 ======================= Grid point 42 (33/192) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -42.569 32.882 0.000) 53.790 2.134 ( -27.944 43.873 0.000) 52.017 3.531 ( -29.737 77.433 0.000) 82.946 5.182 ( 16.080 2.323 0.000) 16.247 5.257 ( 12.272 9.388 0.000) 15.451 5.646 ( -8.429 22.492 0.000) 24.019 5.647 ( -4.774 5.824 0.000) 7.531 6.466 ( 2.595 -1.104 0.000) 2.820 7.281 ( -3.407 -13.001 0.000) 13.440 7.286 ( -13.251 -11.955 0.000) 17.847 8.141 ( -3.464 -3.826 0.000) 5.161 8.163 ( -19.085 10.345 0.000) 21.708 8.297 ( -4.419 -0.937 0.000) 4.517 8.637 ( 7.218 -1.588 0.000) 7.391 8.754 ( -13.940 -23.529 0.000) 27.348 9.366 ( -27.293 -11.254 0.000) 29.522 9.383 ( -15.717 -24.797 0.000) 29.358 9.979 ( -7.226 4.039 0.000) 8.279 10.812 ( 9.411 2.071 0.000) 9.636 11.227 ( -15.049 18.226 0.000) 23.636 11.422 ( -17.212 0.893 0.000) 17.235 11.511 ( -13.125 -27.516 0.000) 30.486 11.587 ( 8.241 -9.540 0.000) 12.607 12.168 ( -4.400 -3.901 0.000) 5.880 12.837 ( -2.485 11.180 0.000) 11.453 13.083 ( 5.567 -7.764 0.000) 9.553 13.485 ( 6.063 -6.829 0.000) 9.132 13.779 ( 2.322 7.253 0.000) 7.615 14.279 ( 8.631 13.995 0.000) 16.442 14.388 ( -0.679 -4.880 0.000) 4.927 14.632 ( 5.345 -17.340 0.000) 18.145 15.011 ( 7.076 -40.307 0.000) 40.923 15.577 ( 6.891 24.561 0.000) 25.510 16.596 ( 5.115 21.795 0.000) 22.387 16.744 ( 30.652 24.358 0.000) 39.152 17.024 ( 27.720 19.222 0.000) 33.733 17.364 ( 6.755 0.294 0.000) 6.761 17.898 ( 4.411 -1.288 0.000) 4.595 19.312 ( -26.991 -11.044 0.000) 29.163 20.417 ( -16.413 -2.506 0.000) 16.603 20.496 ( 1.303 -10.447 0.000) 10.528 21.307 ( -0.876 0.997 0.000) 1.327 21.466 ( -41.450 -30.236 0.000) 51.306 22.836 ( 2.947 -0.134 0.000) 2.950 23.128 ( 2.198 0.578 0.000) 2.273 25.967 ( 0.810 -15.755 0.000) 15.776 26.191 ( 0.987 10.108 0.000) 10.156 27.585 ( 23.633 5.099 0.000) 24.176 ======================= Grid point 43 (34/192) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 41.564 0.000) 41.564 1.482 ( 0.000 51.618 0.000) 51.618 2.641 ( 0.000 90.111 0.000) 90.111 5.348 ( 0.000 4.373 0.000) 4.373 5.391 ( 0.000 2.783 0.000) 2.783 5.418 ( 0.000 19.221 0.000) 19.221 5.528 ( 0.000 0.878 0.000) 0.878 6.502 ( 0.000 2.760 0.000) 2.760 7.195 ( -0.000 -9.669 0.000) 9.669 7.331 ( -0.000 -13.687 0.000) 13.687 7.861 ( 0.000 8.545 0.000) 8.545 8.096 ( 0.000 11.243 0.000) 11.243 8.256 ( 0.000 0.465 0.000) 0.465 8.618 ( 0.000 12.471 0.000) 12.471 8.799 ( -0.000 -28.312 0.000) 28.312 9.307 ( -0.000 -28.230 0.000) 28.230 9.440 ( -0.000 -29.424 0.000) 29.424 9.868 ( 0.000 7.406 0.000) 7.406 10.919 ( 0.000 16.820 0.000) 16.820 10.950 ( 0.000 19.824 0.000) 19.824 11.146 ( -0.000 -9.853 0.000) 9.853 11.644 ( -0.000 -28.616 0.000) 28.616 11.719 ( -0.000 -4.756 0.000) 4.756 12.137 ( -0.000 -2.027 0.000) 2.027 12.731 ( 0.000 10.458 0.000) 10.458 13.224 ( -0.000 -12.468 0.000) 12.468 13.595 ( -0.000 -6.653 0.000) 6.653 13.736 ( 0.000 9.347 0.000) 9.347 14.285 ( 0.000 9.558 0.000) 9.558 14.408 ( -0.000 -3.634 0.000) 3.634 14.821 ( -0.000 -19.953 0.000) 19.953 15.365 ( -0.000 -7.323 0.000) 7.323 15.515 ( -0.000 -9.856 0.000) 9.856 16.484 ( 0.000 22.323 0.000) 22.323 17.148 ( -0.000 -0.747 0.000) 0.747 17.184 ( 0.000 18.428 0.000) 18.428 17.455 ( -0.000 -0.221 0.000) 0.221 17.948 ( -0.000 -1.241 0.000) 1.241 18.795 ( 0.000 21.661 0.000) 21.661 20.238 ( -0.000 -0.429 0.000) 0.429 20.769 ( -0.000 -25.006 0.000) 25.006 20.921 ( -0.000 -0.447 0.000) 0.447 21.314 ( -0.000 -1.716 0.000) 1.716 22.861 ( 0.000 0.303 0.000) 0.303 23.147 ( 0.000 0.184 0.000) 0.184 26.078 ( -0.000 -13.474 0.000) 13.474 26.126 ( 0.000 9.762 0.000) 9.762 27.890 ( -0.000 -6.673 0.000) 6.673 ======================= Grid point 48 (35/192) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 12.117 -0.000 0.000) 12.117 4.740 ( 35.124 -0.000 0.000) 35.124 4.971 ( 28.849 -0.000 0.000) 28.849 5.739 ( 26.454 -0.000 0.000) 26.454 6.144 ( -0.052 0.000 0.000) 0.052 6.383 ( 10.112 -0.000 0.000) 10.112 6.589 ( -1.777 0.000 0.000) 1.777 7.213 ( 4.062 -0.000 0.000) 4.062 7.364 ( 0.920 -0.000 0.000) 0.920 7.675 ( -7.844 0.000 0.000) 7.844 8.397 ( -15.947 0.000 0.000) 15.947 8.529 ( 15.105 -0.000 0.000) 15.105 9.446 ( 9.977 -0.000 0.000) 9.977 9.860 ( 9.812 -0.000 0.000) 9.812 10.156 ( -13.639 0.000 0.000) 13.639 10.383 ( -32.112 0.000 0.000) 32.112 10.741 ( -2.967 0.000 0.000) 2.967 10.772 ( 32.425 -0.000 0.000) 32.425 11.289 ( 34.173 -0.000 0.000) 34.173 12.158 ( -11.337 0.000 0.000) 11.337 12.262 ( -2.654 0.000 0.000) 2.654 12.324 ( -25.269 0.000 0.000) 25.269 12.506 ( 5.748 -0.000 0.000) 5.748 12.541 ( -9.484 0.000 0.000) 9.484 12.971 ( 4.652 -0.000 0.000) 4.652 13.260 ( 15.588 -0.000 0.000) 15.588 13.398 ( -11.265 0.000 0.000) 11.265 13.941 ( -7.639 0.000 0.000) 7.639 14.340 ( -18.364 0.000 0.000) 18.364 14.450 ( 15.492 -0.000 0.000) 15.492 14.719 ( 19.444 -0.000 0.000) 19.444 15.065 ( 15.827 -0.000 0.000) 15.827 15.324 ( 19.220 -0.000 0.000) 19.220 16.363 ( 31.543 -0.000 0.000) 31.543 16.603 ( 1.281 -0.000 0.000) 1.281 16.658 ( 23.655 -0.000 0.000) 23.655 17.281 ( 23.021 -0.000 0.000) 23.021 17.395 ( 3.263 -0.000 0.000) 3.263 20.042 ( -16.791 0.000 0.000) 16.791 20.565 ( -2.586 0.000 0.000) 2.586 20.611 ( -6.905 0.000 0.000) 6.905 21.556 ( -2.775 0.000 0.000) 2.775 22.052 ( -10.382 0.000 0.000) 10.382 22.115 ( -5.716 0.000 0.000) 5.716 23.558 ( -32.431 0.000 0.000) 32.431 24.567 ( 3.947 -0.000 0.000) 3.947 25.392 ( -15.130 0.000 0.000) 15.130 25.922 ( 2.136 -0.000 0.000) 2.136 ======================= Grid point 49 (36/192) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.549 ( 4.633 0.103 0.000) 4.634 5.284 ( 26.730 10.515 0.000) 28.724 5.541 ( 30.669 3.640 0.000) 30.884 6.032 ( 7.898 13.268 0.000) 15.441 6.223 ( 5.202 -12.374 0.000) 13.422 6.496 ( 0.893 0.326 0.000) 0.951 6.546 ( -2.583 -8.491 0.000) 8.875 7.266 ( 2.182 1.179 0.000) 2.480 7.465 ( 4.452 -14.603 0.000) 15.267 7.538 ( -7.334 -3.578 0.000) 8.160 8.098 ( -13.977 -0.848 0.000) 14.003 8.950 ( 30.161 -0.947 0.000) 30.176 9.733 ( 18.389 0.683 0.000) 18.402 9.798 ( -23.048 0.489 0.000) 23.053 9.831 ( -25.395 1.686 0.000) 25.451 10.017 ( 4.673 -0.464 0.000) 4.696 10.623 ( -6.142 7.134 0.000) 9.414 11.198 ( -31.521 -5.340 0.000) 31.971 11.341 ( 26.450 1.095 0.000) 26.473 11.780 ( -30.624 3.371 0.000) 30.809 12.188 ( -4.470 -6.344 0.000) 7.761 12.467 ( 0.265 -0.060 0.000) 0.272 12.524 ( 25.892 5.235 0.000) 26.416 12.577 ( 12.645 -1.479 0.000) 12.731 13.099 ( -3.555 10.788 0.000) 11.359 13.145 ( 1.986 1.794 0.000) 2.676 13.328 ( -6.193 7.546 0.000) 9.762 13.865 ( 3.200 2.662 0.000) 4.163 14.045 ( -17.302 -9.437 0.000) 19.708 14.677 ( 8.670 -0.275 0.000) 8.675 14.973 ( 6.306 -2.294 0.000) 6.710 15.406 ( 19.148 -1.078 0.000) 19.178 15.544 ( -1.449 -12.402 0.000) 12.487 16.662 ( 4.259 -0.771 0.000) 4.329 16.731 ( 14.579 22.726 0.000) 27.000 17.049 ( 10.744 -19.750 0.000) 22.483 17.395 ( 1.926 -0.639 0.000) 2.030 17.718 ( 18.828 5.067 0.000) 19.498 19.735 ( -15.476 -0.090 0.000) 15.476 20.504 ( -4.527 0.041 0.000) 4.527 20.537 ( -0.478 -0.130 0.000) 0.495 21.489 ( -3.228 0.593 0.000) 3.282 21.871 ( -8.634 0.847 0.000) 8.675 22.086 ( 2.198 -1.080 0.000) 2.448 22.979 ( -25.266 6.172 0.000) 26.009 24.737 ( 11.801 -5.071 0.000) 12.845 25.132 ( -12.081 0.757 0.000) 12.105 25.995 ( 5.525 -0.493 0.000) 5.547 ======================= Grid point 50 (37/192) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.584 ( 0.283 1.426 0.000) 1.454 5.511 ( 12.383 28.855 0.000) 31.400 5.949 ( 17.306 9.900 0.000) 19.937 6.031 ( 1.976 7.306 0.000) 7.568 6.336 ( 0.477 -3.060 0.000) 3.097 6.432 ( -5.672 3.897 0.000) 6.881 6.678 ( 4.043 -23.427 0.000) 23.773 7.261 ( -1.518 2.690 0.000) 3.089 7.486 ( -3.104 -9.481 0.000) 9.976 7.725 ( 6.616 -27.598 0.000) 28.380 7.930 ( -6.214 -3.080 0.000) 6.935 9.342 ( -14.761 2.339 0.000) 14.945 9.388 ( -17.989 -0.271 0.000) 17.991 9.686 ( 33.808 -2.615 0.000) 33.909 9.981 ( -1.356 1.454 0.000) 1.988 9.997 ( -5.731 3.711 0.000) 6.827 10.361 ( -5.820 13.990 0.000) 15.152 10.825 ( -12.105 -17.285 0.000) 21.102 11.143 ( -33.662 1.689 0.000) 33.704 11.669 ( 6.849 -5.495 0.000) 8.781 12.341 ( -19.828 2.557 0.000) 19.993 12.346 ( 17.606 -1.742 0.000) 17.692 12.498 ( 2.447 0.284 0.000) 2.464 12.662 ( -16.150 20.686 0.000) 26.244 13.056 ( -12.131 10.907 0.000) 16.313 13.226 ( 23.763 12.722 0.000) 26.955 13.409 ( 20.803 -1.636 0.000) 20.867 13.803 ( -17.331 -10.850 0.000) 20.447 13.973 ( 6.187 -3.698 0.000) 7.208 14.782 ( 3.006 1.911 0.000) 3.562 14.993 ( -5.234 -5.924 0.000) 7.906 15.452 ( -20.114 -20.877 0.000) 28.989 15.733 ( 15.129 3.213 0.000) 15.467 16.634 ( -5.539 20.276 0.000) 21.019 16.746 ( 3.767 -0.660 0.000) 3.824 17.244 ( -4.567 -14.879 0.000) 15.564 17.437 ( 2.078 -0.331 0.000) 2.104 17.883 ( 3.948 9.944 0.000) 10.699 19.496 ( -11.319 -2.979 0.000) 11.704 20.444 ( -2.378 -0.688 0.000) 2.475 20.542 ( 0.527 -0.341 0.000) 0.628 21.468 ( 2.383 0.757 0.000) 2.500 21.733 ( -5.611 0.098 0.000) 5.612 22.194 ( 7.897 -0.684 0.000) 7.927 22.600 ( -10.838 3.990 0.000) 11.549 24.956 ( -6.494 -0.687 0.000) 6.531 25.055 ( 18.917 -2.839 0.000) 19.128 26.128 ( 8.765 0.587 0.000) 8.785 ======================= Grid point 51 (38/192) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( -0.364 5.165 0.000) 5.178 5.403 ( 2.080 33.091 0.000) 33.157 6.001 ( 0.807 10.189 0.000) 10.221 6.008 ( 0.791 19.990 0.000) 20.005 6.278 ( -8.510 1.162 0.000) 8.589 6.333 ( -1.877 -3.496 0.000) 3.968 6.893 ( -1.047 -20.532 0.000) 20.559 7.182 ( -5.624 0.237 0.000) 5.629 7.537 ( 0.214 -10.729 0.000) 10.731 7.865 ( -5.569 -5.779 0.000) 8.026 8.050 ( 3.916 -31.733 0.000) 31.974 8.990 ( -18.214 6.170 0.000) 19.231 9.225 ( 0.805 -0.233 0.000) 0.839 9.630 ( -20.814 -4.289 0.000) 21.252 9.686 ( -18.360 3.011 0.000) 18.605 10.409 ( 7.246 -2.226 0.000) 7.580 10.437 ( 9.884 7.136 0.000) 12.190 10.610 ( 2.414 -1.428 0.000) 2.804 10.875 ( 1.333 -16.403 0.000) 16.457 11.708 ( -36.961 21.525 0.000) 42.772 11.804 ( 2.472 -10.487 0.000) 10.775 12.315 ( -9.829 9.400 0.000) 13.600 12.534 ( 1.740 2.112 0.000) 2.736 12.675 ( 12.296 4.824 0.000) 13.208 12.839 ( -2.143 0.077 0.000) 2.145 13.222 ( -10.692 8.147 0.000) 13.442 13.558 ( -14.407 -5.191 0.000) 15.314 13.823 ( 18.193 6.616 0.000) 19.359 14.127 ( 6.159 -7.646 0.000) 9.818 14.653 ( -15.371 0.760 0.000) 15.390 15.036 ( 0.036 -10.891 0.000) 10.891 15.168 ( -19.091 -16.134 0.000) 24.996 15.758 ( -10.677 16.212 0.000) 19.412 16.433 ( 1.324 8.686 0.000) 8.787 16.802 ( 2.443 0.824 0.000) 2.578 17.094 ( -18.816 -8.039 0.000) 20.462 17.475 ( 2.122 0.527 0.000) 2.186 17.736 ( -8.836 14.280 0.000) 16.792 19.359 ( -7.937 -8.321 0.000) 11.499 20.421 ( -1.141 -2.088 0.000) 2.380 20.550 ( -0.392 -0.915 0.000) 0.995 21.577 ( 9.566 0.845 0.000) 9.603 21.674 ( -1.829 -3.078 0.000) 3.580 22.345 ( 7.572 1.241 0.000) 7.673 22.518 ( 2.981 1.614 0.000) 3.390 24.912 ( -0.229 -4.497 0.000) 4.503 25.448 ( 21.653 0.112 0.000) 21.653 26.303 ( 11.137 2.471 0.000) 11.408 ======================= Grid point 52 (39/192) ======================= q-point: (-0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.501 ( 0.435 11.051 0.000) 11.059 5.155 ( -3.399 33.425 0.000) 33.597 5.777 ( -6.084 25.856 0.000) 26.562 5.896 ( -1.494 18.218 0.000) 18.279 6.069 ( -14.376 -1.840 0.000) 14.493 6.341 ( -1.421 -7.042 0.000) 7.183 6.885 ( -10.700 -9.392 0.000) 14.237 7.058 ( -8.836 -3.928 0.000) 9.670 7.636 ( 2.289 -10.339 0.000) 10.589 7.796 ( -8.434 -13.002 0.000) 15.498 8.274 ( -2.899 -27.746 0.000) 27.897 8.528 ( -23.077 18.536 0.000) 29.599 9.310 ( -24.253 -9.250 0.000) 25.957 9.318 ( 4.838 -2.972 0.000) 5.678 9.508 ( -0.110 -6.659 0.000) 6.660 10.085 ( -17.631 -14.128 0.000) 22.593 10.411 ( -11.278 17.941 0.000) 21.191 10.851 ( -24.891 12.189 0.000) 27.715 11.055 ( -0.156 -14.014 0.000) 14.015 11.110 ( 22.130 13.325 0.000) 25.832 11.954 ( 5.538 -16.578 0.000) 17.478 12.121 ( -8.009 2.853 0.000) 8.502 12.481 ( -7.894 -0.840 0.000) 7.938 12.713 ( 0.194 -3.589 0.000) 3.594 12.811 ( -25.728 2.713 0.000) 25.871 12.964 ( 8.026 -1.526 0.000) 8.170 13.419 ( 0.662 5.698 0.000) 5.737 13.910 ( -3.427 9.094 0.000) 9.718 14.300 ( 5.030 -9.098 0.000) 10.396 14.325 ( -16.064 1.660 0.000) 16.150 14.743 ( -33.007 -29.366 0.000) 44.180 15.199 ( -29.315 21.814 0.000) 36.540 15.330 ( 18.603 9.423 0.000) 20.854 16.458 ( -5.307 -4.789 0.000) 7.149 16.802 ( -5.822 8.222 0.000) 10.074 16.825 ( 2.016 5.313 0.000) 5.683 17.442 ( -5.885 18.629 0.000) 19.536 17.520 ( 1.442 -0.492 0.000) 1.524 19.313 ( -6.434 -15.229 0.000) 16.532 20.430 ( -0.323 -4.138 0.000) 4.150 20.534 ( -2.730 -2.362 0.000) 3.610 21.691 ( -1.448 -8.139 0.000) 8.267 21.777 ( 12.123 2.399 0.000) 12.358 22.431 ( 3.160 2.592 0.000) 4.087 22.638 ( 9.762 1.132 0.000) 9.827 25.003 ( 4.278 -9.536 0.000) 10.451 25.827 ( 19.682 2.565 0.000) 19.848 26.502 ( 12.884 4.098 0.000) 13.520 ======================= Grid point 53 (40/192) ======================= q-point: (-0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( -1.852 18.418 0.000) 18.511 4.784 ( -11.146 34.665 0.000) 36.413 5.459 ( -7.555 25.451 0.000) 26.549 5.685 ( -4.071 25.147 0.000) 25.475 5.815 ( -14.002 -3.762 0.000) 14.499 6.364 ( -2.157 -7.393 0.000) 7.701 6.691 ( -13.076 -1.448 0.000) 13.156 6.935 ( -8.496 -7.587 0.000) 11.391 7.755 ( -8.507 -19.364 0.000) 21.151 7.764 ( 3.832 -8.312 0.000) 9.153 7.910 ( -26.653 19.049 0.000) 32.761 8.357 ( -6.165 -21.835 0.000) 22.689 8.928 ( -23.609 -10.306 0.000) 25.760 9.051 ( -42.312 24.572 0.000) 48.930 9.504 ( 7.082 -0.550 0.000) 7.104 10.054 ( -4.018 -27.626 0.000) 27.916 10.150 ( 6.672 4.691 0.000) 8.156 10.491 ( -19.362 1.367 0.000) 19.410 11.130 ( -6.192 10.739 0.000) 12.396 11.212 ( -0.568 -21.753 0.000) 21.760 11.807 ( -24.715 4.221 0.000) 25.073 11.888 ( -25.235 0.851 0.000) 25.249 12.512 ( -3.331 -9.143 0.000) 9.731 12.593 ( 19.765 -9.967 0.000) 22.136 12.777 ( 1.429 -9.761 0.000) 9.865 13.167 ( 11.200 -0.863 0.000) 11.233 13.419 ( 2.416 8.299 0.000) 8.643 13.550 ( -27.435 8.626 0.000) 28.759 14.138 ( -0.639 5.800 0.000) 5.835 14.263 ( -18.325 12.784 0.000) 22.344 14.351 ( -30.100 -28.240 0.000) 41.274 14.629 ( -11.850 -2.412 0.000) 12.093 15.597 ( 18.974 14.792 0.000) 24.059 16.293 ( -7.083 -1.641 0.000) 7.271 16.791 ( 3.130 16.518 0.000) 16.811 16.825 ( 12.133 16.477 0.000) 20.462 17.289 ( 2.739 14.916 0.000) 15.165 17.573 ( 3.409 -0.761 0.000) 3.493 19.321 ( -7.250 -21.192 0.000) 22.398 20.466 ( 0.009 -6.478 0.000) 6.478 20.486 ( -4.968 -4.912 0.000) 6.987 21.706 ( -5.900 -13.212 0.000) 14.470 21.926 ( 5.581 7.671 0.000) 9.486 22.457 ( 2.382 -0.289 0.000) 2.399 22.825 ( 10.743 1.510 0.000) 10.849 25.183 ( 5.449 -13.996 0.000) 15.019 26.119 ( 14.457 4.910 0.000) 15.268 26.727 ( 14.916 4.390 0.000) 15.549 ======================= Grid point 54 (41/192) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( -12.908 28.503 0.000) 31.290 4.229 ( -22.765 34.386 0.000) 41.239 5.184 ( -3.543 19.301 0.000) 19.623 5.451 ( 0.045 24.519 0.000) 24.519 5.610 ( -11.200 -0.994 0.000) 11.244 6.360 ( -3.149 -5.994 0.000) 6.771 6.423 ( -14.204 9.772 0.000) 17.240 6.804 ( -9.750 7.452 0.000) 12.271 7.349 ( -19.990 1.719 0.000) 20.064 7.733 ( -11.165 -15.681 0.000) 19.250 7.933 ( 5.440 -11.839 0.000) 13.029 8.030 ( -33.269 30.602 0.000) 45.203 8.392 ( -7.928 -23.942 0.000) 25.221 8.616 ( -16.466 -6.980 0.000) 17.885 9.457 ( -15.536 4.867 0.000) 16.280 10.066 ( -22.744 -1.264 0.000) 22.779 10.236 ( -2.050 -33.821 0.000) 33.883 10.301 ( 1.838 -1.050 0.000) 2.116 10.777 ( -30.737 -2.172 0.000) 30.814 11.055 ( -23.308 -18.578 0.000) 29.807 11.399 ( -14.277 13.235 0.000) 19.468 11.659 ( 8.821 -6.746 0.000) 11.106 12.627 ( -2.675 -0.059 0.000) 2.676 12.766 ( -15.895 -5.976 0.000) 16.981 12.924 ( -24.006 0.078 0.000) 24.006 13.008 ( 4.972 2.387 0.000) 5.515 13.098 ( 1.002 5.385 0.000) 5.478 13.577 ( 13.681 -8.945 0.000) 16.345 13.879 ( -2.407 11.625 0.000) 11.872 14.051 ( -21.179 -30.779 0.000) 37.362 14.213 ( 9.656 7.017 0.000) 11.937 14.557 ( -7.028 -8.364 0.000) 10.924 15.807 ( 16.778 19.519 0.000) 25.739 16.357 ( 16.295 7.554 0.000) 17.961 16.748 ( 9.435 24.926 0.000) 26.651 16.925 ( 11.420 17.923 0.000) 21.252 17.285 ( 4.454 8.401 0.000) 9.509 17.657 ( 4.938 -1.166 0.000) 5.074 19.324 ( -10.233 -23.829 0.000) 25.933 20.428 ( -5.742 -7.003 0.000) 9.056 20.513 ( -1.075 -8.415 0.000) 8.483 21.646 ( -12.573 -17.326 0.000) 21.408 21.828 ( -7.739 11.717 0.000) 14.042 22.566 ( 7.299 -3.068 0.000) 7.918 22.991 ( 8.132 1.826 0.000) 8.335 25.384 ( 3.954 -17.036 0.000) 17.489 26.289 ( 8.879 7.332 0.000) 11.515 26.991 ( 16.434 3.124 0.000) 16.729 ======================= Grid point 55 (42/192) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( -36.159 31.711 0.000) 48.094 3.512 ( -23.762 38.225 0.000) 45.009 5.092 ( 5.527 10.634 0.000) 11.985 5.294 ( -18.521 25.435 0.000) 31.463 5.371 ( 7.587 19.234 0.000) 20.676 6.025 ( -11.214 23.736 0.000) 26.252 6.352 ( -1.801 0.481 0.000) 1.864 6.426 ( -12.642 21.462 0.000) 24.909 7.177 ( -9.996 -17.181 0.000) 19.877 7.300 ( -16.479 7.128 0.000) 17.954 7.855 ( -1.814 -17.654 0.000) 17.747 8.147 ( 7.534 -14.294 0.000) 16.158 8.409 ( -8.605 -21.527 0.000) 23.183 8.420 ( -9.094 -5.140 0.000) 10.446 8.945 ( -28.131 9.195 0.000) 29.596 9.576 ( -33.333 -5.333 0.000) 33.757 10.056 ( -41.420 -0.387 0.000) 41.422 10.164 ( -11.130 -2.117 0.000) 11.329 10.442 ( -2.422 -29.374 0.000) 29.474 11.106 ( 8.627 -17.500 0.000) 19.511 11.229 ( -0.255 4.206 0.000) 4.214 11.847 ( -1.269 1.234 0.000) 1.770 12.131 ( -19.749 4.223 0.000) 20.195 12.141 ( -36.539 7.619 0.000) 37.325 12.959 ( 5.869 -1.018 0.000) 5.956 13.029 ( 3.064 2.721 0.000) 4.098 13.256 ( 5.516 -1.740 0.000) 5.784 13.788 ( 6.136 1.530 0.000) 6.324 14.024 ( 12.977 -10.004 0.000) 16.386 14.028 ( -9.585 -46.101 0.000) 47.086 14.375 ( 13.380 12.295 0.000) 18.171 14.479 ( -4.610 -3.179 0.000) 5.600 15.932 ( 13.220 23.645 0.000) 27.090 16.717 ( 26.306 12.231 0.000) 29.010 16.817 ( 16.978 23.692 0.000) 29.147 16.998 ( 12.395 19.089 0.000) 22.760 17.308 ( 2.384 2.818 0.000) 3.691 17.768 ( 5.671 -1.710 0.000) 5.923 19.274 ( -12.766 -22.182 0.000) 25.593 20.374 ( -5.589 -7.044 0.000) 8.992 20.517 ( -6.086 -8.169 0.000) 10.187 21.478 ( -19.711 -18.664 0.000) 27.145 21.549 ( -11.823 9.754 0.000) 15.328 22.724 ( 7.011 -1.873 0.000) 7.257 23.094 ( 4.328 1.613 0.000) 4.619 25.564 ( 1.749 -18.668 0.000) 18.750 26.353 ( 4.789 9.379 0.000) 10.531 27.283 ( 16.335 0.443 0.000) 16.341 ======================= Grid point 56 (43/192) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -38.951 32.631 0.000) 50.813 2.776 ( -20.688 45.910 0.000) 50.356 4.585 ( -16.474 66.944 0.000) 68.941 5.233 ( 14.510 5.352 0.000) 15.466 5.415 ( 8.178 12.836 0.000) 15.220 5.757 ( -7.520 10.837 0.000) 13.190 6.003 ( -8.142 27.363 0.000) 28.548 6.448 ( 6.578 -1.605 0.000) 6.771 7.088 ( -13.008 -15.622 0.000) 20.329 7.123 ( -6.341 -8.949 0.000) 10.968 8.006 ( 4.405 -15.387 0.000) 16.005 8.273 ( -2.792 -2.618 0.000) 3.828 8.283 ( -14.110 3.098 0.000) 14.446 8.493 ( 10.138 -17.984 0.000) 20.645 8.508 ( -14.668 -7.691 0.000) 16.562 9.066 ( -25.620 -18.455 0.000) 31.574 9.335 ( -31.759 5.893 0.000) 32.301 10.015 ( -5.423 1.324 0.000) 5.582 10.629 ( 1.129 -28.027 0.000) 28.050 11.248 ( 0.388 -5.432 0.000) 5.446 11.400 ( 7.648 -16.193 0.000) 17.908 11.472 ( -15.001 15.770 0.000) 21.765 11.503 ( -24.667 7.705 0.000) 25.842 12.118 ( 1.922 -3.444 0.000) 3.944 13.004 ( -0.107 11.218 0.000) 11.218 13.032 ( 3.338 0.655 0.000) 3.402 13.367 ( 2.926 -8.961 0.000) 9.426 13.858 ( 3.260 3.731 0.000) 4.954 14.277 ( 4.136 -10.536 0.000) 11.318 14.307 ( -0.792 -51.281 0.000) 51.287 14.474 ( 2.068 -4.609 0.000) 5.052 14.496 ( 9.226 12.203 0.000) 15.298 15.957 ( 8.599 26.500 0.000) 27.860 16.888 ( 5.820 19.032 0.000) 19.902 17.005 ( 15.676 13.507 0.000) 20.693 17.276 ( 25.815 15.508 0.000) 30.115 17.360 ( 4.955 -0.829 0.000) 5.024 17.875 ( 3.929 -2.104 0.000) 4.457 19.171 ( -11.764 -12.138 0.000) 16.904 20.338 ( -3.284 -8.959 0.000) 9.542 20.375 ( -12.766 -3.401 0.000) 13.211 21.177 ( -24.091 -12.495 0.000) 27.139 21.336 ( -4.953 3.298 0.000) 5.951 22.833 ( 3.744 -0.252 0.000) 3.752 23.138 ( 1.671 0.775 0.000) 1.841 25.717 ( 0.411 -18.969 0.000) 18.974 26.341 ( 1.888 10.829 0.000) 10.993 27.578 ( 13.247 -4.595 0.000) 14.021 ======================= Grid point 57 (44/192) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 39.316 0.000) 39.316 2.211 ( 0.000 50.736 0.000) 50.736 3.878 ( 0.000 82.611 0.000) 82.611 5.434 ( 0.000 7.774 0.000) 7.774 5.441 ( 0.000 4.157 0.000) 4.157 5.555 ( 0.000 3.628 0.000) 3.628 5.738 ( 0.000 25.423 0.000) 25.423 6.546 ( 0.000 3.321 0.000) 3.321 7.020 ( -0.000 -14.879 0.000) 14.879 7.142 ( -0.000 -12.638 0.000) 12.638 7.998 ( 0.000 9.857 0.000) 9.857 8.241 ( 0.000 8.752 0.000) 8.752 8.252 ( -0.000 -1.006 0.000) 1.006 8.395 ( -0.000 -27.034 0.000) 27.034 8.840 ( 0.000 18.072 0.000) 18.072 8.882 ( -0.000 -31.089 0.000) 31.089 9.014 ( -0.000 -29.960 0.000) 29.960 9.945 ( 0.000 3.668 0.000) 3.668 10.881 ( -0.000 -29.143 0.000) 29.143 11.145 ( 0.000 14.702 0.000) 14.702 11.212 ( 0.000 16.904 0.000) 16.904 11.327 ( -0.000 -12.896 0.000) 12.896 11.585 ( -0.000 -13.741 0.000) 13.741 12.135 ( 0.000 0.960 0.000) 0.960 12.905 ( 0.000 13.484 0.000) 13.484 13.087 ( -0.000 -5.495 0.000) 5.495 13.471 ( -0.000 -10.465 0.000) 10.465 13.851 ( 0.000 6.255 0.000) 6.255 14.351 ( -0.000 -5.026 0.000) 5.026 14.451 ( 0.000 10.477 0.000) 10.477 14.577 ( -0.000 -12.960 0.000) 12.960 14.730 ( -0.000 -50.193 0.000) 50.193 15.850 ( 0.000 27.844 0.000) 27.844 16.794 ( 0.000 20.869 0.000) 20.869 17.135 ( -0.000 -0.961 0.000) 0.961 17.441 ( 0.000 16.691 0.000) 16.691 17.451 ( -0.000 -0.287 0.000) 0.287 17.927 ( -0.000 -1.826 0.000) 1.826 19.032 ( 0.000 8.844 0.000) 8.844 20.231 ( -0.000 -0.545 0.000) 0.545 20.425 ( -0.000 -20.122 0.000) 20.122 20.914 ( -0.000 -0.569 0.000) 0.569 21.295 ( -0.000 -0.669 0.000) 0.669 22.866 ( 0.000 0.384 0.000) 0.384 23.150 ( 0.000 0.233 0.000) 0.233 25.852 ( -0.000 -17.947 0.000) 17.947 26.278 ( 0.000 11.251 0.000) 11.251 27.777 ( -0.000 -9.089 0.000) 9.089 ======================= Grid point 64 (45/192) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.594 ( 1.055 -0.000 0.000) 1.055 5.767 ( 19.441 -0.000 0.000) 19.441 6.090 ( 23.181 -0.000 0.000) 23.181 6.096 ( 0.017 -0.000 0.000) 0.017 6.302 ( 2.793 -0.000 0.000) 2.793 6.307 ( -9.836 0.000 0.000) 9.836 6.569 ( -0.444 0.000 0.000) 0.444 7.311 ( 1.850 -0.000 0.000) 1.850 7.386 ( -7.045 0.000 0.000) 7.045 7.497 ( 5.030 -0.000 0.000) 5.030 7.910 ( -6.050 0.000 0.000) 6.050 9.358 ( -15.942 0.000 0.000) 15.942 9.387 ( -18.233 0.000 0.000) 18.233 9.668 ( 37.224 -0.000 0.000) 37.224 9.993 ( 0.175 -0.000 0.000) 0.175 10.024 ( -6.480 0.000 0.000) 6.480 10.560 ( -21.730 0.000 0.000) 21.730 10.600 ( -0.583 0.000 0.000) 0.583 11.160 ( -36.141 0.000 0.000) 36.141 11.622 ( 4.920 -0.000 0.000) 4.920 12.335 ( 21.085 -0.000 0.000) 21.085 12.357 ( -17.157 0.000 0.000) 17.157 12.500 ( 2.840 -0.000 0.000) 2.840 12.828 ( -16.228 0.000 0.000) 16.228 13.153 ( -14.822 0.000 0.000) 14.822 13.353 ( 7.442 -0.000 0.000) 7.442 13.368 ( 36.469 -0.000 0.000) 36.469 13.699 ( -15.370 0.000 0.000) 15.370 13.954 ( 5.119 -0.000 0.000) 5.119 14.796 ( 5.283 -0.000 0.000) 5.283 14.931 ( -8.984 0.000 0.000) 8.984 15.303 ( -18.040 0.000 0.000) 18.040 15.756 ( 17.283 -0.000 0.000) 17.283 16.741 ( 4.168 -0.000 0.000) 4.168 16.844 ( -12.411 0.000 0.000) 12.411 17.075 ( 1.612 -0.000 0.000) 1.612 17.434 ( 2.315 -0.000 0.000) 2.315 17.955 ( 4.000 -0.000 0.000) 4.000 19.473 ( -12.450 0.000 0.000) 12.450 20.438 ( -2.672 0.000 0.000) 2.672 20.540 ( 0.435 -0.000 0.000) 0.435 21.474 ( 2.231 -0.000 0.000) 2.231 21.734 ( -6.296 0.000 0.000) 6.296 22.189 ( 8.501 -0.000 0.000) 8.501 22.631 ( -12.651 0.000 0.000) 12.651 24.951 ( -7.402 0.000 0.000) 7.402 25.033 ( 20.535 -0.000 0.000) 20.535 26.133 ( 9.276 -0.000 0.000) 9.276 ======================= Grid point 65 (46/192) ======================= q-point: (-0.67 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( 2.124 2.229 0.000) 3.079 5.870 ( 3.160 29.449 0.000) 29.618 6.108 ( 2.730 4.362 0.000) 5.146 6.164 ( -1.909 -0.188 0.000) 1.918 6.293 ( -3.233 -1.924 0.000) 3.763 6.349 ( -1.905 4.171 0.000) 4.586 6.581 ( -1.103 -16.539 0.000) 16.576 7.224 ( -6.513 5.212 0.000) 8.342 7.384 ( 0.256 -9.404 0.000) 9.407 7.649 ( 3.485 -17.533 0.000) 17.876 7.833 ( -4.438 -1.593 0.000) 4.715 9.037 ( -15.484 1.128 0.000) 15.525 9.226 ( 2.075 0.091 0.000) 2.077 9.596 ( -27.146 -0.871 0.000) 27.160 9.748 ( -21.007 3.755 0.000) 21.340 10.368 ( -3.187 -2.408 0.000) 3.994 10.534 ( 8.610 6.801 0.000) 10.972 10.597 ( 12.243 -0.440 0.000) 12.251 10.677 ( 3.241 -10.853 0.000) 11.326 11.693 ( 1.825 -4.342 0.000) 4.709 11.920 ( -28.530 7.288 0.000) 29.447 12.459 ( -17.798 7.969 0.000) 19.500 12.560 ( 3.478 1.105 0.000) 3.649 12.734 ( 16.922 2.555 0.000) 17.114 12.845 ( -14.563 0.591 0.000) 14.575 13.288 ( -14.403 1.490 0.000) 14.480 13.488 ( -7.819 -3.371 0.000) 8.515 13.907 ( 20.951 4.240 0.000) 21.376 14.057 ( 5.190 -2.372 0.000) 5.706 14.662 ( -17.317 1.121 0.000) 17.353 14.761 ( -23.293 -14.737 0.000) 27.564 15.132 ( 9.425 0.518 0.000) 9.439 15.935 ( -0.925 7.248 0.000) 7.307 16.523 ( -14.710 3.559 0.000) 15.135 16.810 ( 3.541 0.267 0.000) 3.551 16.993 ( -10.500 -4.775 0.000) 11.535 17.475 ( 1.983 -0.142 0.000) 1.988 17.880 ( -8.195 5.414 0.000) 9.822 19.275 ( -10.408 -3.175 0.000) 10.881 20.401 ( -1.763 -0.758 0.000) 1.919 20.540 ( -0.798 -0.386 0.000) 0.886 21.586 ( 9.729 0.345 0.000) 9.735 21.646 ( -3.528 -0.947 0.000) 3.653 22.356 ( 8.509 0.359 0.000) 8.516 22.538 ( 2.260 0.862 0.000) 2.419 24.868 ( -2.071 -1.575 0.000) 2.602 25.446 ( 22.922 -0.170 0.000) 22.923 26.326 ( 11.619 0.776 0.000) 11.645 ======================= Grid point 66 (47/192) ======================= q-point: (-0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( 4.506 7.802 0.000) 9.010 5.641 ( -2.258 33.623 0.000) 33.699 6.025 ( -12.445 0.973 0.000) 12.483 6.113 ( 2.929 11.119 0.000) 11.498 6.147 ( -8.383 19.100 0.000) 20.858 6.255 ( -2.596 -4.674 0.000) 5.347 6.655 ( -7.879 -21.875 0.000) 23.250 7.036 ( -11.395 1.373 0.000) 11.477 7.477 ( 1.869 -11.053 0.000) 11.210 7.671 ( -10.963 -4.816 0.000) 11.974 7.871 ( -1.544 -25.457 0.000) 25.504 8.742 ( -14.596 9.709 0.000) 17.530 9.247 ( -28.889 1.414 0.000) 28.923 9.266 ( -5.304 -3.243 0.000) 6.217 9.452 ( 14.358 -2.091 0.000) 14.509 9.879 ( -28.147 -13.971 0.000) 31.423 10.575 ( -2.363 6.580 0.000) 6.992 10.804 ( 1.277 -10.552 0.000) 10.629 11.203 ( -33.602 22.029 0.000) 40.179 11.281 ( 31.843 10.316 0.000) 33.472 11.741 ( 1.391 -12.604 0.000) 12.680 12.139 ( -13.608 -0.516 0.000) 13.618 12.489 ( -12.120 1.911 0.000) 12.270 12.649 ( -3.654 -4.851 0.000) 6.074 12.834 ( -31.706 0.257 0.000) 31.707 12.950 ( 7.422 -0.539 0.000) 7.441 13.505 ( 8.701 5.601 0.000) 10.348 14.023 ( -5.118 7.111 0.000) 8.761 14.186 ( 5.355 -6.478 0.000) 8.405 14.333 ( -15.450 -3.193 0.000) 15.776 14.386 ( -26.976 -16.940 0.000) 31.855 15.432 ( 20.760 4.813 0.000) 21.310 15.498 ( -31.255 18.601 0.000) 36.371 16.334 ( -12.425 -10.558 0.000) 16.305 16.877 ( 4.845 2.389 0.000) 5.402 16.908 ( 4.324 5.685 0.000) 7.143 17.507 ( 1.065 -0.940 0.000) 1.420 17.671 ( -5.115 12.272 0.000) 13.296 19.130 ( -10.188 -9.729 0.000) 14.087 20.384 ( -1.211 -2.278 0.000) 2.580 20.505 ( -3.886 -1.493 0.000) 4.163 21.607 ( -3.064 -3.821 0.000) 4.898 21.804 ( 13.600 1.308 0.000) 13.663 22.461 ( 2.970 1.495 0.000) 3.325 22.657 ( 10.030 1.206 0.000) 10.103 24.895 ( 2.129 -5.372 0.000) 5.778 25.852 ( 20.693 1.082 0.000) 20.721 26.541 ( 12.443 1.654 0.000) 12.552 ======================= Grid point 67 (48/192) ======================= q-point: (-0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.645 ( 4.089 15.973 0.000) 16.488 5.286 ( -10.900 35.249 0.000) 36.896 5.761 ( -16.120 -1.672 0.000) 16.206 5.816 ( -9.136 21.627 0.000) 23.477 6.026 ( -0.582 21.273 0.000) 21.281 6.268 ( -0.617 -5.821 0.000) 5.854 6.598 ( -10.379 -12.494 0.000) 16.243 6.810 ( -13.693 -7.801 0.000) 15.759 7.516 ( -10.601 -12.406 0.000) 16.319 7.606 ( 2.895 -12.115 0.000) 12.456 7.982 ( -7.177 -27.205 0.000) 28.136 8.251 ( -24.603 25.767 0.000) 35.627 8.787 ( -22.176 -8.630 0.000) 23.796 9.252 ( -6.729 2.672 0.000) 7.240 9.622 ( 0.972 12.658 0.000) 12.696 9.652 ( -13.092 -28.146 0.000) 31.042 10.281 ( -7.950 12.464 0.000) 14.784 10.545 ( -22.154 8.839 0.000) 23.853 10.954 ( -1.164 -14.161 0.000) 14.209 11.249 ( -17.788 5.861 0.000) 18.729 11.850 ( -23.199 0.610 0.000) 23.207 11.928 ( -8.740 4.234 0.000) 9.712 12.342 ( -15.946 -14.143 0.000) 21.315 12.453 ( 19.815 -9.034 0.000) 21.777 12.641 ( -2.274 -8.379 0.000) 8.682 13.147 ( 12.669 -1.310 0.000) 12.736 13.590 ( 5.116 13.731 0.000) 14.653 13.655 ( -27.743 6.106 0.000) 28.407 14.002 ( -26.640 -18.550 0.000) 32.462 14.211 ( 1.316 3.254 0.000) 3.510 14.321 ( 2.916 -4.679 0.000) 5.513 14.697 ( -38.946 11.066 0.000) 40.488 15.770 ( 20.649 9.345 0.000) 22.665 16.241 ( -0.641 -4.854 0.000) 4.896 16.953 ( 6.946 7.336 0.000) 10.103 17.018 ( 11.557 10.483 0.000) 15.604 17.523 ( 2.810 9.856 0.000) 10.248 17.567 ( 1.947 6.395 0.000) 6.685 19.037 ( -10.722 -18.201 0.000) 21.124 20.389 ( -0.866 -4.312 0.000) 4.398 20.423 ( -6.565 -3.721 0.000) 7.547 21.565 ( -6.192 -6.880 0.000) 9.256 22.023 ( 10.572 5.655 0.000) 11.989 22.453 ( -1.760 -0.312 0.000) 1.788 22.850 ( 11.091 1.670 0.000) 11.216 25.009 ( 3.712 -10.038 0.000) 10.702 26.178 ( 15.920 3.305 0.000) 16.259 26.763 ( 12.688 1.091 0.000) 12.735 ======================= Grid point 68 (49/192) ======================= q-point: (-0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.508 ( -4.296 27.337 0.000) 27.672 4.706 ( -26.023 32.302 0.000) 41.480 5.436 ( -11.026 13.240 0.000) 17.230 5.603 ( -6.331 2.726 0.000) 6.893 5.806 ( -3.222 24.281 0.000) 24.494 6.285 ( -1.626 -3.946 0.000) 4.268 6.487 ( -6.225 -0.170 0.000) 6.228 6.713 ( -5.574 -15.466 0.000) 16.440 7.460 ( -7.998 -18.195 0.000) 19.875 7.556 ( -25.798 20.139 0.000) 32.728 7.773 ( 2.807 -8.077 0.000) 8.551 7.979 ( -15.103 -25.499 0.000) 29.636 8.514 ( -14.208 -6.968 0.000) 15.825 8.647 ( -26.573 41.489 0.000) 49.269 9.542 ( -8.436 7.090 0.000) 11.020 9.726 ( -5.903 -36.356 0.000) 36.832 10.047 ( -23.631 -1.318 0.000) 23.668 10.304 ( -0.235 2.130 0.000) 2.143 10.750 ( -32.870 -1.541 0.000) 32.906 10.795 ( -22.755 -16.094 0.000) 27.871 11.593 ( -13.082 12.676 0.000) 18.216 11.607 ( 4.331 -1.943 0.000) 4.747 12.438 ( 4.672 -26.149 0.000) 26.563 12.646 ( -7.158 -9.224 0.000) 11.675 12.973 ( 23.341 -3.877 0.000) 23.660 12.980 ( -37.166 6.555 0.000) 37.740 13.270 ( -12.262 13.221 0.000) 18.032 13.502 ( 6.717 -0.275 0.000) 6.723 13.696 ( -20.185 -16.399 0.000) 26.007 14.042 ( -11.949 9.208 0.000) 15.085 14.313 ( 12.192 5.696 0.000) 13.457 14.430 ( -2.124 -8.756 0.000) 9.010 16.049 ( 18.313 14.095 0.000) 23.109 16.425 ( 19.055 2.429 0.000) 19.209 17.028 ( 9.404 13.705 0.000) 16.621 17.146 ( 10.845 12.870 0.000) 16.830 17.458 ( 1.289 16.519 0.000) 16.569 17.628 ( 4.223 -2.779 0.000) 5.055 18.984 ( -11.521 -23.760 0.000) 26.406 20.338 ( -5.514 -5.348 0.000) 7.682 20.408 ( -1.337 -6.239 0.000) 6.380 21.463 ( -10.976 -8.930 0.000) 14.150 21.996 ( -7.150 11.739 0.000) 13.745 22.513 ( 6.916 -4.493 0.000) 8.248 23.019 ( 8.173 1.892 0.000) 8.389 25.158 ( 2.741 -14.174 0.000) 14.437 26.387 ( 10.540 6.353 0.000) 12.307 26.999 ( 12.709 -1.422 0.000) 12.788 ======================= Grid point 69 (50/192) ======================= q-point: (-0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( -39.117 28.462 0.000) 48.375 4.064 ( -16.943 38.829 0.000) 42.365 5.236 ( -1.020 9.535 0.000) 9.589 5.502 ( -1.710 7.674 0.000) 7.862 5.651 ( 3.527 19.145 0.000) 19.467 6.291 ( 0.065 -4.877 0.000) 4.878 6.339 ( -5.499 15.828 0.000) 16.756 6.728 ( -3.145 5.087 0.000) 5.981 7.001 ( -18.544 4.308 0.000) 19.038 7.381 ( -17.999 -6.315 0.000) 19.075 7.705 ( -11.614 -0.849 0.000) 11.645 7.928 ( 3.576 -15.995 0.000) 16.390 8.198 ( -6.108 0.540 0.000) 6.132 8.347 ( -8.638 -5.023 0.000) 9.992 9.085 ( -27.440 9.878 0.000) 29.164 9.538 ( -35.774 0.327 0.000) 35.775 9.863 ( -11.878 -32.408 0.000) 34.516 10.127 ( -9.117 -2.847 0.000) 9.551 10.146 ( -27.491 -4.115 0.000) 27.797 10.849 ( 8.507 -17.477 0.000) 19.437 11.347 ( -4.692 9.989 0.000) 11.036 11.816 ( 10.581 -4.052 0.000) 11.330 12.244 ( -29.918 9.078 0.000) 31.265 12.262 ( -32.592 8.845 0.000) 33.771 12.810 ( 8.727 -27.132 0.000) 28.501 13.007 ( -2.544 -4.707 0.000) 5.351 13.276 ( 8.980 3.915 0.000) 9.796 13.496 ( -14.709 -20.861 0.000) 25.526 13.752 ( 10.168 -5.879 0.000) 11.746 13.972 ( 5.347 1.353 0.000) 5.515 14.441 ( -0.478 -2.109 0.000) 2.163 14.529 ( 15.276 9.243 0.000) 17.855 16.237 ( 14.438 18.801 0.000) 23.705 16.852 ( 27.849 6.813 0.000) 28.670 17.115 ( 11.991 17.415 0.000) 21.144 17.237 ( 10.261 14.293 0.000) 17.594 17.353 ( -3.680 4.610 0.000) 5.899 17.735 ( 4.844 -2.767 0.000) 5.579 18.939 ( -12.015 -24.895 0.000) 27.643 20.303 ( -1.763 -2.756 0.000) 3.272 20.410 ( -4.176 -6.704 0.000) 7.898 21.288 ( -14.767 -9.117 0.000) 17.355 21.693 ( -14.584 10.202 0.000) 17.798 22.693 ( 8.373 -2.466 0.000) 8.729 23.117 ( 3.852 1.627 0.000) 4.181 25.304 ( 0.913 -17.299 0.000) 17.323 26.485 ( 6.116 8.956 0.000) 10.846 27.247 ( 11.543 -4.771 0.000) 12.490 ======================= Grid point 70 (51/192) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -35.816 30.031 0.000) 46.740 3.430 ( -15.943 45.786 0.000) 48.482 5.217 ( 1.926 15.660 0.000) 15.778 5.409 ( 6.574 21.043 0.000) 22.046 5.618 ( 4.765 15.429 0.000) 16.148 6.023 ( -10.699 27.350 0.000) 29.368 6.373 ( 0.918 6.071 0.000) 6.140 6.447 ( -0.211 18.659 0.000) 18.661 6.857 ( -11.261 -15.698 0.000) 19.319 7.037 ( -13.117 -2.807 0.000) 13.414 7.769 ( 5.536 -14.360 0.000) 15.390 8.144 ( 4.782 -22.274 0.000) 22.781 8.185 ( -1.275 -12.253 0.000) 12.319 8.262 ( -4.329 -5.921 0.000) 7.335 8.557 ( -20.081 9.646 0.000) 22.278 8.893 ( -31.730 -5.561 0.000) 32.213 9.457 ( -23.669 8.781 0.000) 25.246 10.029 ( -3.277 1.107 0.000) 3.460 10.149 ( -2.904 -35.763 0.000) 35.880 11.143 ( 7.131 -19.190 0.000) 20.473 11.256 ( -0.440 4.517 0.000) 4.538 11.636 ( -23.133 10.537 0.000) 25.419 11.673 ( -15.837 12.316 0.000) 20.063 12.064 ( 5.554 -4.326 0.000) 7.040 13.064 ( 4.894 -1.110 0.000) 5.019 13.066 ( 1.355 -6.845 0.000) 6.978 13.312 ( 1.010 5.406 0.000) 5.499 13.541 ( -5.483 -49.676 0.000) 49.977 13.886 ( 3.637 0.236 0.000) 3.645 14.136 ( 5.966 -8.162 0.000) 10.110 14.455 ( 1.513 0.580 0.000) 1.620 14.692 ( 9.948 13.389 0.000) 16.680 16.309 ( 9.117 22.589 0.000) 24.360 17.132 ( 7.704 15.104 0.000) 16.956 17.154 ( 0.272 7.825 0.000) 7.830 17.348 ( 6.528 -0.236 0.000) 6.533 17.455 ( 22.521 9.575 0.000) 24.472 17.836 ( 3.374 -3.394 0.000) 4.786 18.915 ( -8.296 -23.298 0.000) 24.731 20.293 ( 0.277 2.461 0.000) 2.476 20.324 ( -8.848 -3.530 0.000) 9.526 21.059 ( -14.760 -5.347 0.000) 15.699 21.400 ( -9.007 5.511 0.000) 10.559 22.828 ( 4.774 -0.415 0.000) 4.792 23.149 ( 0.953 0.794 0.000) 1.241 25.441 ( -0.045 -19.262 0.000) 19.262 26.495 ( 2.680 10.615 0.000) 10.949 27.481 ( 8.106 -8.449 0.000) 11.709 ======================= Grid point 71 (52/192) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 35.429 0.000) 35.429 2.923 ( 0.000 49.365 0.000) 49.365 4.916 ( 0.000 57.573 0.000) 57.573 5.509 ( 0.000 5.365 0.000) 5.365 5.573 ( 0.000 11.799 0.000) 11.799 5.679 ( 0.000 17.600 0.000) 17.600 6.130 ( 0.000 29.107 0.000) 29.107 6.594 ( 0.000 3.315 0.000) 3.315 6.773 ( -0.000 -19.603 0.000) 19.603 6.976 ( -0.000 -10.449 0.000) 10.449 7.975 ( -0.000 -17.437 0.000) 17.437 8.227 ( 0.000 9.590 0.000) 9.590 8.230 ( -0.000 -2.033 0.000) 2.033 8.313 ( -0.000 -2.562 0.000) 2.562 8.430 ( -0.000 -32.153 0.000) 32.153 8.625 ( -0.000 -20.638 0.000) 20.638 9.107 ( 0.000 18.372 0.000) 18.372 9.984 ( 0.000 2.322 0.000) 2.322 10.388 ( -0.000 -37.351 0.000) 37.351 11.242 ( -0.000 -0.626 0.000) 0.626 11.334 ( 0.000 11.730 0.000) 11.730 11.348 ( -0.000 -18.736 0.000) 18.736 11.429 ( 0.000 13.524 0.000) 13.524 12.138 ( -0.000 -1.155 0.000) 1.155 13.079 ( 0.000 3.642 0.000) 3.642 13.081 ( 0.000 7.577 0.000) 7.577 13.321 ( -0.000 -7.307 0.000) 7.307 13.902 ( -0.000 -57.834 0.000) 57.834 13.910 ( 0.000 2.167 0.000) 2.167 14.249 ( -0.000 -8.631 0.000) 8.631 14.478 ( -0.000 -1.723 0.000) 1.723 14.685 ( 0.000 14.690 0.000) 14.690 16.231 ( 0.000 25.174 0.000) 25.174 17.071 ( 0.000 17.959 0.000) 17.959 17.121 ( -0.000 -1.013 0.000) 1.013 17.447 ( -0.000 -0.305 0.000) 0.305 17.638 ( 0.000 10.675 0.000) 10.675 17.893 ( -0.000 -3.055 0.000) 3.055 18.980 ( -0.000 -16.201 0.000) 16.201 20.223 ( -0.000 -0.565 0.000) 0.565 20.280 ( 0.000 0.325 0.000) 0.325 20.906 ( -0.000 -0.592 0.000) 0.592 21.300 ( 0.000 1.548 0.000) 1.548 22.871 ( 0.000 0.397 0.000) 0.397 23.153 ( 0.000 0.241 0.000) 0.241 25.580 ( -0.000 -19.829 0.000) 19.829 26.439 ( 0.000 11.324 0.000) 11.324 27.635 ( -0.000 -10.621 0.000) 10.621 ======================= Grid point 80 (53/192) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.700 ( 6.185 -0.000 0.000) 6.185 5.965 ( -9.857 0.000 0.000) 9.857 6.054 ( -2.515 0.000 0.000) 2.515 6.196 ( 4.579 -0.000 0.000) 4.579 6.217 ( -3.254 0.000 0.000) 3.254 6.269 ( -11.238 0.000 0.000) 11.238 6.428 ( -7.062 0.000 0.000) 7.062 7.065 ( -12.830 0.000 0.000) 12.830 7.378 ( 2.231 -0.000 0.000) 2.231 7.628 ( 0.518 -0.000 0.000) 0.518 7.674 ( -12.291 0.000 0.000) 12.291 8.802 ( -10.842 0.000 0.000) 10.842 9.241 ( -8.121 0.000 0.000) 8.121 9.292 ( -28.687 0.000 0.000) 28.687 9.438 ( 17.740 -0.000 0.000) 17.740 9.754 ( -34.622 0.000 0.000) 34.622 10.632 ( -4.286 0.000 0.000) 4.286 10.711 ( 5.546 -0.000 0.000) 5.546 11.372 ( 44.302 -0.000 0.000) 44.302 11.391 ( -31.811 0.000 0.000) 31.811 11.634 ( -8.755 0.000 0.000) 8.755 12.126 ( -19.679 0.000 0.000) 19.679 12.515 ( -17.623 0.000 0.000) 17.623 12.602 ( -1.288 0.000 0.000) 1.288 12.831 ( -33.451 0.000 0.000) 33.451 12.947 ( 7.166 -0.000 0.000) 7.166 13.551 ( 12.682 -0.000 0.000) 12.682 14.109 ( -3.135 0.000 0.000) 3.135 14.135 ( 4.364 -0.000 0.000) 4.364 14.187 ( -27.033 0.000 0.000) 27.033 14.349 ( -14.729 0.000 0.000) 14.729 15.466 ( 21.494 -0.000 0.000) 21.494 15.654 ( -33.773 0.000 0.000) 33.773 16.235 ( -11.612 0.000 0.000) 11.612 16.894 ( 5.741 -0.000 0.000) 5.741 16.950 ( 6.431 -0.000 0.000) 6.431 17.499 ( 0.625 -0.000 0.000) 0.625 17.763 ( -3.862 0.000 0.000) 3.862 19.057 ( -12.057 0.000 0.000) 12.057 20.367 ( -1.513 0.000 0.000) 1.513 20.494 ( -4.299 0.000 0.000) 4.299 21.580 ( -3.535 0.000 0.000) 3.535 21.813 ( 14.089 -0.000 0.000) 14.089 22.472 ( 2.988 -0.000 0.000) 2.988 22.666 ( 10.039 -0.000 0.000) 10.039 24.856 ( 1.310 -0.000 0.000) 1.310 25.859 ( 21.132 -0.000 0.000) 21.132 26.552 ( 12.202 -0.000 0.000) 12.202 ======================= Grid point 82 (54/192) ======================= q-point: (-0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 8.072 6.833 0.000) 10.575 5.705 ( -14.362 6.162 0.000) 15.628 5.792 ( -15.481 23.191 0.000) 27.883 6.043 ( -13.824 3.582 0.000) 14.281 6.188 ( -0.871 -1.166 0.000) 1.455 6.258 ( 4.179 6.168 0.000) 7.450 6.360 ( -4.969 -15.956 0.000) 16.712 6.754 ( -19.939 -0.234 0.000) 19.941 7.429 ( -11.634 -0.396 0.000) 11.640 7.453 ( 2.600 -7.430 0.000) 7.872 7.654 ( -5.283 -15.885 0.000) 16.740 8.573 ( -14.299 13.924 0.000) 19.958 8.719 ( -27.292 1.798 0.000) 27.351 9.252 ( 5.020 -0.615 0.000) 5.057 9.288 ( -20.703 -19.776 0.000) 28.630 9.730 ( 9.295 2.898 0.000) 9.736 10.387 ( -19.200 2.387 0.000) 19.348 10.772 ( -16.905 14.409 0.000) 22.213 10.821 ( -6.672 -2.684 0.000) 7.191 11.301 ( -25.238 1.700 0.000) 25.295 11.792 ( -19.711 -7.289 0.000) 21.016 11.985 ( 3.540 2.663 0.000) 4.430 12.178 ( -32.295 -6.106 0.000) 32.867 12.359 ( 17.237 -3.561 0.000) 17.601 12.553 ( -3.329 -3.496 0.000) 4.828 13.134 ( 12.558 -0.419 0.000) 12.565 13.729 ( -26.320 4.706 0.000) 26.737 13.763 ( 10.091 8.411 0.000) 13.137 13.815 ( -22.489 -8.367 0.000) 23.994 14.223 ( 2.380 -6.085 0.000) 6.534 14.242 ( 1.966 1.083 0.000) 2.244 14.838 ( -46.693 6.111 0.000) 47.092 15.859 ( 21.487 3.127 0.000) 21.713 16.180 ( 4.666 -2.786 0.000) 5.434 17.021 ( 8.596 2.460 0.000) 8.941 17.119 ( 11.351 3.588 0.000) 11.904 17.518 ( 1.682 -1.222 0.000) 2.079 17.756 ( 4.873 9.138 0.000) 10.356 18.834 ( -14.874 -8.633 0.000) 17.198 20.347 ( -1.302 -1.514 0.000) 1.997 20.386 ( -7.321 -1.360 0.000) 7.447 21.502 ( -6.054 -2.077 0.000) 6.401 22.080 ( 14.590 2.141 0.000) 14.746 22.449 ( -5.238 -0.162 0.000) 5.241 22.867 ( 11.086 0.674 0.000) 11.107 24.909 ( 2.671 -3.676 0.000) 4.544 26.210 ( 17.029 1.194 0.000) 17.071 26.769 ( 11.171 0.062 0.000) 11.171 ======================= Grid point 83 (55/192) ======================= q-point: (-0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( 4.319 19.836 0.000) 20.301 5.120 ( -33.151 23.950 0.000) 40.897 5.501 ( -10.025 0.496 0.000) 10.037 5.733 ( -11.166 9.997 0.000) 14.988 6.074 ( -11.278 9.284 0.000) 14.607 6.283 ( 2.583 5.861 0.000) 6.405 6.429 ( 1.942 -6.963 0.000) 7.229 6.483 ( -8.551 -13.880 0.000) 16.302 7.276 ( -7.712 -6.410 0.000) 10.028 7.545 ( -1.828 -10.879 0.000) 11.031 7.639 ( -10.845 -20.706 0.000) 23.375 7.985 ( -22.432 25.792 0.000) 34.182 8.430 ( -12.289 -4.392 0.000) 13.050 9.138 ( -16.557 23.830 0.000) 29.017 9.234 ( -7.612 -31.268 0.000) 32.182 9.653 ( -8.310 7.503 0.000) 11.196 10.032 ( -17.595 -0.519 0.000) 17.603 10.366 ( -16.923 4.767 0.000) 17.581 10.663 ( -13.595 1.308 0.000) 13.657 10.734 ( -33.767 -0.748 0.000) 33.775 11.555 ( -3.942 -8.394 0.000) 9.274 11.737 ( -13.869 7.160 0.000) 15.608 11.996 ( -4.328 -29.012 0.000) 29.333 12.536 ( -2.833 -5.569 0.000) 6.248 12.925 ( 28.539 -2.581 0.000) 28.655 13.066 ( -37.912 4.625 0.000) 38.193 13.366 ( 8.817 1.138 0.000) 8.890 13.564 ( -11.742 -4.066 0.000) 12.426 13.623 ( -22.736 15.203 0.000) 27.351 14.072 ( -16.299 -6.502 0.000) 17.548 14.356 ( 2.819 -0.299 0.000) 2.835 14.373 ( 12.856 2.676 0.000) 13.132 16.201 ( 19.255 7.162 0.000) 20.544 16.439 ( 21.480 0.097 0.000) 21.480 17.159 ( 9.057 5.858 0.000) 10.787 17.286 ( 10.317 6.691 0.000) 12.297 17.577 ( 2.060 -3.124 0.000) 3.742 17.732 ( 2.105 18.907 0.000) 19.024 18.661 ( -14.433 -20.577 0.000) 25.134 20.281 ( -4.334 -2.630 0.000) 5.070 20.339 ( -1.446 -3.319 0.000) 3.620 21.377 ( -9.824 -3.657 0.000) 10.483 22.156 ( -7.691 10.370 0.000) 12.911 22.437 ( 7.673 -6.110 0.000) 9.808 23.041 ( 7.993 1.140 0.000) 8.074 24.996 ( 1.873 -8.159 0.000) 8.371 26.464 ( 12.268 4.089 0.000) 12.932 26.968 ( 9.765 -2.240 0.000) 10.019 ======================= Grid point 84 (56/192) ======================= q-point: (-0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -42.853 21.414 0.000) 47.906 4.606 ( -9.871 36.849 0.000) 38.148 5.354 ( -2.363 6.797 0.000) 7.196 5.578 ( -0.138 3.737 0.000) 3.739 5.845 ( -4.113 2.969 0.000) 5.073 6.246 ( -2.222 1.540 0.000) 2.703 6.471 ( -0.067 4.387 0.000) 4.388 6.578 ( 3.571 -12.913 0.000) 13.398 7.210 ( -8.099 -11.119 0.000) 13.756 7.289 ( -17.706 21.384 0.000) 27.763 7.550 ( -11.963 -18.335 0.000) 21.893 7.725 ( -2.319 -9.056 0.000) 9.348 8.278 ( -7.951 -4.950 0.000) 9.366 8.539 ( -17.743 34.315 0.000) 38.631 9.219 ( -26.638 8.989 0.000) 28.114 9.368 ( -4.371 -33.576 0.000) 33.859 9.596 ( -35.121 8.248 0.000) 36.076 10.085 ( -3.453 -2.990 0.000) 4.568 10.131 ( -29.941 -0.117 0.000) 29.942 10.653 ( 6.141 -7.793 0.000) 9.921 11.478 ( -7.665 7.716 0.000) 10.876 11.712 ( 7.769 -14.513 0.000) 16.462 12.251 ( 2.771 -38.230 0.000) 38.330 12.360 ( -32.299 4.941 0.000) 32.675 12.382 ( -21.015 7.704 0.000) 22.383 12.933 ( -19.505 -4.871 0.000) 20.104 13.341 ( 14.888 4.875 0.000) 15.666 13.409 ( -6.245 1.664 0.000) 6.462 13.659 ( 10.782 -6.636 0.000) 12.661 14.008 ( 1.919 2.677 0.000) 3.294 14.421 ( 2.921 -0.701 0.000) 3.004 14.635 ( 17.246 5.672 0.000) 18.155 16.458 ( 15.446 11.949 0.000) 19.529 16.918 ( 29.217 2.794 0.000) 29.350 17.266 ( 6.567 4.490 0.000) 7.955 17.401 ( 8.428 8.798 0.000) 12.184 17.488 ( -8.051 12.818 0.000) 15.137 17.704 ( 3.896 0.150 0.000) 3.899 18.579 ( -12.613 -24.961 0.000) 27.967 20.288 ( 3.757 0.200 0.000) 3.763 20.331 ( -2.877 -4.340 0.000) 5.207 21.197 ( -12.195 -4.146 0.000) 12.880 21.829 ( -17.094 8.537 0.000) 19.107 22.656 ( 10.268 -2.638 0.000) 10.601 23.138 ( 3.345 1.182 0.000) 3.548 25.088 ( 0.216 -12.446 0.000) 12.448 26.604 ( 7.538 7.630 0.000) 10.726 27.165 ( 8.190 -6.178 0.000) 10.259 ======================= Grid point 85 (57/192) ======================= q-point: (-0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -34.430 23.849 0.000) 41.883 4.072 ( -12.716 44.243 0.000) 46.034 5.352 ( 7.437 8.000 0.000) 10.923 5.602 ( 4.160 7.001 0.000) 8.143 5.830 ( 4.322 11.777 0.000) 12.545 6.241 ( -1.189 -14.324 0.000) 14.374 6.338 ( -7.420 11.386 0.000) 13.590 6.688 ( -1.443 -6.891 0.000) 7.040 6.873 ( -5.789 31.041 0.000) 31.576 7.008 ( -17.393 -3.342 0.000) 17.712 7.617 ( 8.319 -12.109 0.000) 14.691 7.793 ( -2.839 -24.158 0.000) 24.325 8.128 ( -9.075 11.133 0.000) 14.363 8.202 ( -4.030 -4.538 0.000) 6.069 8.717 ( -17.792 11.739 0.000) 21.315 8.901 ( -29.404 7.961 0.000) 30.463 9.475 ( -8.523 -15.461 0.000) 17.654 9.732 ( -11.778 -13.076 0.000) 17.598 10.058 ( -0.609 3.379 0.000) 3.433 10.876 ( 5.996 -17.464 0.000) 18.465 11.350 ( -0.634 7.892 0.000) 7.918 11.800 ( -24.340 12.542 0.000) 27.381 11.818 ( -15.548 7.786 0.000) 17.388 11.973 ( 4.691 -11.045 0.000) 12.000 12.610 ( 1.449 -49.160 0.000) 49.181 12.880 ( -1.986 -16.259 0.000) 16.380 13.304 ( -2.451 5.512 0.000) 6.033 13.445 ( 3.765 10.184 0.000) 10.858 13.860 ( 5.298 -4.113 0.000) 6.708 14.065 ( 4.270 -1.400 0.000) 4.494 14.470 ( 2.358 1.072 0.000) 2.591 14.865 ( 12.168 10.672 0.000) 16.185 16.590 ( 9.697 16.603 0.000) 19.227 17.220 ( -10.340 1.164 0.000) 10.406 17.314 ( 11.721 10.391 0.000) 15.664 17.381 ( 6.445 5.494 0.000) 8.468 17.552 ( 17.013 4.380 0.000) 17.568 17.780 ( 2.299 -4.202 0.000) 4.790 18.556 ( -8.512 -25.352 0.000) 26.743 20.278 ( -5.553 -2.772 0.000) 6.206 20.370 ( 6.178 6.790 0.000) 9.180 21.005 ( -10.527 -2.654 0.000) 10.856 21.486 ( -12.255 6.136 0.000) 13.705 22.821 ( 5.977 -0.541 0.000) 6.001 23.159 ( 0.261 0.655 0.000) 0.705 25.185 ( -0.499 -16.047 0.000) 16.055 26.641 ( 3.417 9.898 0.000) 10.471 27.350 ( 5.327 -9.579 0.000) 10.960 ======================= Grid point 86 (58/192) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 29.116 0.000) 29.116 3.612 ( 0.000 47.294 0.000) 47.294 5.387 ( 0.000 15.062 0.000) 15.062 5.591 ( 0.000 5.969 0.000) 5.969 5.768 ( 0.000 15.556 0.000) 15.556 6.093 ( 0.000 29.522 0.000) 29.522 6.392 ( -0.000 -16.824 0.000) 16.824 6.630 ( 0.000 23.683 0.000) 23.683 6.639 ( 0.000 2.976 0.000) 2.976 6.852 ( -0.000 -6.714 0.000) 6.714 7.830 ( 0.000 2.276 0.000) 2.276 7.975 ( -0.000 -31.439 0.000) 31.439 8.059 ( -0.000 -26.329 0.000) 26.329 8.192 ( -0.000 -3.409 0.000) 3.409 8.433 ( 0.000 18.702 0.000) 18.702 8.544 ( 0.000 2.867 0.000) 2.867 9.330 ( 0.000 11.571 0.000) 11.571 9.862 ( -0.000 -34.985 0.000) 34.985 10.023 ( 0.000 3.643 0.000) 3.643 11.071 ( -0.000 -19.700 0.000) 19.700 11.299 ( 0.000 8.685 0.000) 8.685 11.478 ( 0.000 8.474 0.000) 8.474 11.596 ( 0.000 9.864 0.000) 9.864 12.095 ( -0.000 -5.602 0.000) 5.602 12.986 ( -0.000 -15.897 0.000) 15.897 12.987 ( -0.000 -46.081 0.000) 46.081 13.252 ( -0.000 -3.565 0.000) 3.565 13.390 ( 0.000 11.907 0.000) 11.907 13.919 ( -0.000 -0.820 0.000) 0.820 14.140 ( -0.000 -5.786 0.000) 5.786 14.484 ( 0.000 1.484 0.000) 1.484 14.892 ( 0.000 13.936 0.000) 13.936 16.557 ( 0.000 20.420 0.000) 20.420 17.107 ( -0.000 -0.889 0.000) 0.889 17.302 ( 0.000 14.407 0.000) 14.407 17.443 ( -0.000 -0.270 0.000) 0.270 17.741 ( 0.000 3.896 0.000) 3.896 17.838 ( -0.000 -4.751 0.000) 4.751 18.654 ( -0.000 -25.904 0.000) 25.904 20.215 ( -0.000 -0.487 0.000) 0.487 20.373 ( 0.000 9.959 0.000) 9.959 20.898 ( -0.000 -0.513 0.000) 0.513 21.338 ( 0.000 3.606 0.000) 3.606 22.877 ( 0.000 0.342 0.000) 0.342 23.157 ( 0.000 0.207 0.000) 0.207 25.303 ( -0.000 -18.428 0.000) 18.428 26.597 ( 0.000 10.803 0.000) 10.803 27.479 ( -0.000 -11.174 0.000) 11.174 ======================= Grid point 97 (59/192) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.010 ( 9.487 -0.000 0.000) 9.487 5.305 ( -38.350 0.000 0.000) 38.350 5.515 ( -10.536 0.000 0.000) 10.536 5.801 ( -13.455 0.000 0.000) 13.455 6.105 ( -16.332 0.000 0.000) 16.332 6.347 ( 2.486 -0.000 0.000) 2.486 6.361 ( 8.274 -0.000 0.000) 8.274 6.396 ( -8.379 0.000 0.000) 8.379 7.255 ( -7.786 0.000 0.000) 7.786 7.451 ( -1.017 0.000 0.000) 1.017 7.462 ( -9.294 0.000 0.000) 9.294 8.233 ( -23.885 0.000 0.000) 23.885 8.394 ( -13.274 0.000 0.000) 13.274 8.955 ( -5.906 0.000 0.000) 5.906 9.301 ( -6.916 0.000 0.000) 6.916 9.711 ( -12.407 0.000 0.000) 12.407 10.032 ( -12.337 0.000 0.000) 12.337 10.387 ( -32.077 0.000 0.000) 32.077 10.729 ( -34.050 0.000 0.000) 34.050 10.778 ( 1.249 -0.000 0.000) 1.249 11.389 ( -19.753 0.000 0.000) 19.753 11.789 ( -14.484 0.000 0.000) 14.484 11.799 ( -1.652 0.000 0.000) 1.652 12.496 ( -1.469 0.000 0.000) 1.469 12.906 ( 30.429 -0.000 0.000) 30.429 13.099 ( -38.370 0.000 0.000) 38.370 13.369 ( 12.109 -0.000 0.000) 12.109 13.540 ( -8.211 0.000 0.000) 8.211 13.799 ( -47.829 0.000 0.000) 47.829 13.953 ( 6.064 -0.000 0.000) 6.064 14.368 ( -0.279 0.000 0.000) 0.279 14.391 ( 13.090 -0.000 0.000) 13.090 16.252 ( 19.565 -0.000 0.000) 19.565 16.438 ( 22.479 -0.000 0.000) 22.479 17.203 ( 8.938 -0.000 0.000) 8.938 17.334 ( 10.112 -0.000 0.000) 10.112 17.549 ( 1.959 -0.000 0.000) 1.959 17.904 ( 4.491 -0.000 0.000) 4.491 18.479 ( -18.403 0.000 0.000) 18.403 20.263 ( -3.717 0.000 0.000) 3.717 20.316 ( -1.471 0.000 0.000) 1.471 21.351 ( -9.449 0.000 0.000) 9.449 22.257 ( -14.603 0.000 0.000) 14.603 22.366 ( 14.677 -0.000 0.000) 14.677 23.050 ( 7.905 -0.000 0.000) 7.905 24.936 ( 1.556 -0.000 0.000) 1.556 26.495 ( 13.162 -0.000 0.000) 13.162 26.950 ( 8.476 -0.000 0.000) 8.476 ======================= Grid point 99 (60/192) ======================= q-point: (-0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.457 ( -46.265 8.257 0.000) 46.996 5.079 ( 2.028 26.274 0.000) 26.352 5.428 ( 0.882 3.318 0.000) 3.433 5.608 ( -4.614 0.500 0.000) 4.641 5.693 ( -20.936 -17.404 0.000) 27.225 6.341 ( -1.655 6.376 0.000) 6.587 6.466 ( 8.708 -2.798 0.000) 9.146 6.501 ( 2.879 0.646 0.000) 2.950 7.134 ( -4.511 0.536 0.000) 4.543 7.307 ( -11.569 -13.054 0.000) 17.443 7.371 ( -9.571 -4.496 0.000) 10.574 7.830 ( -11.706 16.804 0.000) 20.479 8.192 ( -10.448 -7.200 0.000) 12.688 8.889 ( -25.944 11.680 0.000) 28.452 8.983 ( -0.518 -16.935 0.000) 16.943 9.333 ( -26.340 5.493 0.000) 26.907 9.746 ( -27.674 8.968 0.000) 29.090 10.044 ( 5.927 -2.269 0.000) 6.346 10.130 ( -28.858 -0.043 0.000) 28.858 10.720 ( 0.322 19.597 0.000) 19.600 11.265 ( -7.867 -41.011 0.000) 41.758 11.554 ( -8.770 2.757 0.000) 9.193 11.952 ( 10.473 -5.870 0.000) 12.006 12.417 ( -32.679 2.108 0.000) 32.747 12.466 ( -4.099 3.425 0.000) 5.342 12.881 ( -40.099 -2.068 0.000) 40.153 13.405 ( 18.689 3.440 0.000) 19.003 13.442 ( -2.634 1.708 0.000) 3.139 13.575 ( 8.867 -4.277 0.000) 9.844 14.036 ( 3.332 1.038 0.000) 3.490 14.417 ( 3.667 -0.005 0.000) 3.667 14.689 ( 18.581 1.913 0.000) 18.679 16.572 ( 16.176 4.035 0.000) 16.672 16.940 ( 29.971 0.639 0.000) 29.978 17.302 ( 1.129 1.207 0.000) 1.653 17.485 ( 7.420 2.969 0.000) 7.991 17.576 ( -0.567 0.264 0.000) 0.625 17.823 ( -5.551 13.448 0.000) 14.549 18.256 ( -11.995 -18.125 0.000) 21.735 20.289 ( -2.190 -1.493 0.000) 2.650 20.295 ( 7.189 0.428 0.000) 7.202 21.160 ( -11.235 -1.206 0.000) 11.300 21.919 ( -19.164 3.547 0.000) 19.489 22.625 ( 12.144 -1.305 0.000) 12.213 23.149 ( 3.040 0.432 0.000) 3.071 24.964 ( -0.188 -4.567 0.000) 4.570 26.689 ( 9.011 3.624 0.000) 9.712 27.091 ( 5.869 -3.312 0.000) 6.739 ======================= Grid point 100 (61/192) ======================= q-point: (-0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 339 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( -34.344 13.503 0.000) 36.903 4.682 ( -10.910 41.029 0.000) 42.455 5.469 ( 8.120 8.208 0.000) 11.546 5.647 ( 5.750 -0.407 0.000) 5.764 5.735 ( 2.440 -25.771 0.000) 25.886 6.205 ( -6.260 9.899 0.000) 11.712 6.390 ( -11.598 -0.762 0.000) 11.623 6.639 ( 6.297 -1.057 0.000) 6.385 6.966 ( -14.116 -0.650 0.000) 14.131 7.234 ( -1.222 10.374 0.000) 10.446 7.389 ( 8.861 -16.598 0.000) 18.816 7.556 ( -10.910 0.537 0.000) 10.924 8.108 ( -5.415 -9.608 0.000) 11.029 8.362 ( -19.663 13.111 0.000) 23.633 8.820 ( -21.243 3.215 0.000) 21.485 9.122 ( -0.441 -23.410 0.000) 23.414 9.210 ( -14.620 31.938 0.000) 35.126 9.710 ( -15.427 1.493 0.000) 15.499 10.127 ( 2.763 5.641 0.000) 6.282 10.690 ( 2.499 -5.600 0.000) 6.132 11.453 ( 1.292 5.621 0.000) 5.767 11.529 ( -0.750 -48.384 0.000) 48.390 11.915 ( -18.140 3.976 0.000) 18.571 11.996 ( -27.332 14.700 0.000) 31.034 12.174 ( 6.257 -10.364 0.000) 12.107 12.637 ( -3.918 -16.994 0.000) 17.440 13.394 ( -0.298 5.341 0.000) 5.350 13.575 ( 5.494 8.051 0.000) 9.747 13.781 ( 7.104 -6.364 0.000) 9.538 14.078 ( 2.637 2.015 0.000) 3.318 14.480 ( 2.794 0.309 0.000) 2.811 14.987 ( 14.617 6.179 0.000) 15.869 16.774 ( 10.248 8.907 0.000) 13.578 17.213 ( -9.436 -1.037 0.000) 9.493 17.425 ( 18.618 5.200 0.000) 19.330 17.480 ( -3.080 6.970 0.000) 7.620 17.590 ( 8.959 1.391 0.000) 9.067 17.728 ( -0.806 -2.461 0.000) 2.590 18.237 ( -4.974 -18.190 0.000) 18.858 20.248 ( -3.426 -1.476 0.000) 3.730 20.456 ( 9.692 4.696 0.000) 10.769 20.978 ( -8.690 -1.237 0.000) 8.778 21.562 ( -14.385 4.164 0.000) 14.975 22.814 ( 7.088 -0.435 0.000) 7.102 23.167 ( -0.239 0.373 0.000) 0.443 25.001 ( -0.858 -9.253 0.000) 9.292 26.771 ( 4.271 7.848 0.000) 8.935 27.220 ( 3.554 -8.034 0.000) 8.785 ======================= Grid point 101 (62/192) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 0.000 19.610 0.000) 19.610 4.264 ( 0.000 43.893 0.000) 43.893 5.542 ( 0.000 9.166 0.000) 9.166 5.672 ( 0.000 5.070 0.000) 5.070 6.004 ( 0.000 16.848 0.000) 16.848 6.013 ( -0.000 -30.624 0.000) 30.624 6.276 ( -0.000 -1.927 0.000) 1.927 6.679 ( 0.000 2.818 0.000) 2.818 6.793 ( -0.000 -1.508 0.000) 1.508 7.078 ( 0.000 33.311 0.000) 33.311 7.549 ( -0.000 -27.682 0.000) 27.682 7.694 ( -0.000 -23.376 0.000) 23.376 8.020 ( 0.000 17.378 0.000) 17.378 8.121 ( -0.000 -7.422 0.000) 7.422 8.592 ( 0.000 3.066 0.000) 3.066 8.809 ( 0.000 35.725 0.000) 35.725 9.288 ( -0.000 -22.923 0.000) 22.923 9.557 ( -0.000 -1.027 0.000) 1.027 10.097 ( 0.000 6.913 0.000) 6.913 10.809 ( -0.000 -15.904 0.000) 15.904 11.478 ( 0.000 15.408 0.000) 15.408 11.575 ( 0.000 5.111 0.000) 5.111 11.709 ( 0.000 6.004 0.000) 6.004 11.855 ( -0.000 -37.891 0.000) 37.891 12.343 ( -0.000 -25.564 0.000) 25.564 12.734 ( -0.000 -18.254 0.000) 18.254 13.345 ( 0.000 7.804 0.000) 7.804 13.554 ( 0.000 10.238 0.000) 10.238 13.882 ( -0.000 -4.314 0.000) 4.314 14.099 ( -0.000 -0.047 0.000) 0.047 14.503 ( 0.000 0.913 0.000) 0.913 15.070 ( 0.000 10.704 0.000) 10.704 16.802 ( 0.000 13.627 0.000) 13.627 17.097 ( -0.000 -0.607 0.000) 0.607 17.440 ( -0.000 -0.186 0.000) 0.186 17.481 ( 0.000 10.727 0.000) 10.727 17.757 ( -0.000 -1.289 0.000) 1.289 17.760 ( -0.000 -5.951 0.000) 5.951 18.319 ( -0.000 -19.401 0.000) 19.401 20.209 ( -0.000 -0.328 0.000) 0.328 20.510 ( 0.000 8.371 0.000) 8.371 20.891 ( -0.000 -0.347 0.000) 0.347 21.394 ( 0.000 3.851 0.000) 3.851 22.881 ( 0.000 0.230 0.000) 0.230 23.159 ( 0.000 0.140 0.000) 0.140 25.073 ( -0.000 -13.317 0.000) 13.317 26.745 ( 0.000 9.757 0.000) 9.757 27.323 ( -0.000 -10.435 0.000) 10.435 ======================= Grid point 114 (63/192) ======================= q-point: (-0.53 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( -34.509 0.000 0.000) 34.509 5.154 ( -18.700 0.000 0.000) 18.700 5.357 ( 8.019 -0.000 0.000) 8.019 5.556 ( 9.291 -0.000 0.000) 9.291 5.615 ( 6.018 -0.000 0.000) 6.018 6.304 ( -4.968 0.000 0.000) 4.968 6.377 ( -15.059 0.000 0.000) 15.059 6.636 ( 9.049 -0.000 0.000) 9.049 6.981 ( -15.067 0.000 0.000) 15.067 7.207 ( -4.699 0.000 0.000) 4.699 7.243 ( 11.580 -0.000 0.000) 11.580 7.732 ( -7.576 0.000 0.000) 7.576 7.963 ( -8.644 0.000 0.000) 8.644 8.450 ( -22.307 0.000 0.000) 22.307 8.841 ( -22.493 0.000 0.000) 22.493 8.940 ( 1.048 -0.000 0.000) 1.048 9.512 ( -7.358 0.000 0.000) 7.358 9.721 ( -14.796 0.000 0.000) 14.796 10.172 ( 5.613 -0.000 0.000) 5.613 10.824 ( -8.201 0.000 0.000) 8.201 10.927 ( 2.759 -0.000 0.000) 2.759 11.494 ( 2.145 -0.000 0.000) 2.145 11.944 ( -18.218 0.000 0.000) 18.218 12.119 ( 7.690 -0.000 0.000) 7.690 12.146 ( -32.818 0.000 0.000) 32.818 12.472 ( -0.204 0.000 0.000) 0.204 13.434 ( 0.141 -0.000 0.000) 0.141 13.664 ( 3.542 -0.000 0.000) 3.542 13.702 ( 10.132 -0.000 0.000) 10.132 14.096 ( 2.300 -0.000 0.000) 2.300 14.481 ( 2.865 -0.000 0.000) 2.865 15.033 ( 15.749 -0.000 0.000) 15.749 16.838 ( 10.489 -0.000 0.000) 10.489 17.205 ( -9.010 0.000 0.000) 9.010 17.462 ( 23.346 -0.000 0.000) 23.346 17.536 ( -6.311 0.000 0.000) 6.311 17.599 ( 3.797 -0.000 0.000) 3.797 17.717 ( -6.308 0.000 0.000) 6.308 18.091 ( 0.351 -0.000 0.000) 0.351 20.237 ( -2.698 0.000 0.000) 2.698 20.491 ( 10.798 -0.000 0.000) 10.798 20.969 ( -8.179 0.000 0.000) 8.179 21.593 ( -15.153 0.000 0.000) 15.153 22.811 ( 7.572 -0.000 0.000) 7.572 23.170 ( -0.422 0.000 0.000) 0.422 24.934 ( -0.999 0.000 0.000) 0.999 26.836 ( 5.005 -0.000 0.000) 5.005 27.153 ( 2.555 -0.000 0.000) 2.555 ======================= Grid point 116 (64/192) ======================= q-point: (-0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 0.000 6.990 0.000) 6.990 4.833 ( 0.000 32.840 0.000) 32.840 5.568 ( -0.000 -28.468 0.000) 28.468 5.655 ( 0.000 5.456 0.000) 5.456 5.724 ( 0.000 2.036 0.000) 2.036 6.184 ( -0.000 -6.238 0.000) 6.238 6.206 ( 0.000 9.193 0.000) 9.193 6.721 ( 0.000 2.707 0.000) 2.707 6.800 ( 0.000 1.429 0.000) 1.429 7.229 ( -0.000 -14.615 0.000) 14.615 7.438 ( -0.000 -10.621 0.000) 10.621 7.526 ( 0.000 27.016 0.000) 27.016 7.955 ( -0.000 -15.638 0.000) 15.638 8.187 ( 0.000 5.525 0.000) 5.525 8.622 ( 0.000 1.105 0.000) 1.105 8.995 ( -0.000 -12.410 0.000) 12.410 9.339 ( 0.000 28.660 0.000) 28.660 9.582 ( 0.000 1.336 0.000) 1.336 10.203 ( 0.000 5.678 0.000) 5.678 10.692 ( 0.000 4.485 0.000) 4.485 11.166 ( -0.000 -45.704 0.000) 45.704 11.623 ( 0.000 1.707 0.000) 1.707 11.683 ( 0.000 10.318 0.000) 10.318 11.766 ( 0.000 2.016 0.000) 2.016 12.201 ( -0.000 -2.543 0.000) 2.543 12.510 ( -0.000 -10.667 0.000) 10.667 13.427 ( 0.000 3.114 0.000) 3.114 13.672 ( 0.000 5.827 0.000) 5.827 13.813 ( -0.000 -4.415 0.000) 4.415 14.114 ( 0.000 1.118 0.000) 1.118 14.509 ( 0.000 0.103 0.000) 0.103 15.180 ( 0.000 4.235 0.000) 4.235 16.935 ( 0.000 4.767 0.000) 4.767 17.091 ( -0.000 -0.216 0.000) 0.216 17.438 ( -0.000 -0.066 0.000) 0.066 17.606 ( 0.000 6.584 0.000) 6.584 17.688 ( -0.000 -3.160 0.000) 3.160 17.717 ( -0.000 -3.777 0.000) 3.777 18.131 ( -0.000 -6.642 0.000) 6.642 20.206 ( -0.000 -0.116 0.000) 0.116 20.594 ( 0.000 3.083 0.000) 3.083 20.888 ( -0.000 -0.122 0.000) 0.122 21.436 ( 0.000 1.668 0.000) 1.668 22.883 ( 0.000 0.081 0.000) 0.081 23.161 ( 0.000 0.049 0.000) 0.049 24.940 ( -0.000 -4.905 0.000) 4.905 26.862 ( 0.000 5.614 0.000) 5.614 27.198 ( -0.000 -5.928 0.000) 5.928 ======================= Grid point 231 (65/192) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 0.000 53.050) 53.050 1.229 ( 0.000 0.000 58.584) 58.584 1.889 ( 0.000 0.000 87.483) 87.483 4.396 ( 0.000 0.000 -44.226) 44.226 4.499 ( 0.000 0.000 -43.757) 43.757 5.949 ( 0.000 0.000 24.822) 24.822 6.269 ( 0.000 0.000 41.801) 41.801 6.480 ( 0.000 0.000 1.571) 1.571 6.604 ( 0.000 0.000 -50.840) 50.840 7.668 ( 0.000 0.000 -1.320) 1.320 7.741 ( 0.000 0.000 -3.201) 3.201 8.065 ( 0.000 0.000 18.674) 18.674 8.396 ( 0.000 0.000 -12.011) 12.011 9.331 ( 0.000 0.000 -16.965) 16.965 9.542 ( 0.000 0.000 12.245) 12.245 9.862 ( 0.000 0.000 1.714) 1.714 10.066 ( 0.000 0.000 -2.805) 2.805 10.451 ( 0.000 0.000 1.634) 1.634 10.544 ( 0.000 0.000 -0.398) 0.398 10.597 ( 0.000 0.000 20.899) 20.899 10.978 ( 0.000 0.000 -23.757) 23.757 12.087 ( 0.000 0.000 -8.728) 8.728 12.182 ( 0.000 0.000 18.549) 18.549 12.225 ( 0.000 0.000 9.901) 9.901 12.893 ( 0.000 0.000 -29.762) 29.762 13.489 ( 0.000 0.000 4.668) 4.668 13.657 ( 0.000 0.000 -4.489) 4.489 14.205 ( 0.000 0.000 -9.826) 9.826 14.257 ( 0.000 0.000 20.662) 20.662 14.847 ( 0.000 0.000 -2.508) 2.508 15.012 ( 0.000 0.000 -0.560) 0.560 15.724 ( 0.000 0.000 20.122) 20.122 15.791 ( 0.000 0.000 -5.210) 5.210 16.229 ( 0.000 0.000 0.137) 0.137 16.879 ( 0.000 0.000 2.660) 2.660 17.184 ( 0.000 0.000 2.315) 2.315 17.425 ( 0.000 0.000 -3.077) 3.077 17.759 ( 0.000 0.000 -18.235) 18.235 19.129 ( 0.000 0.000 14.118) 14.118 19.923 ( 0.000 0.000 -6.446) 6.446 20.310 ( 0.000 0.000 6.108) 6.108 20.861 ( 0.000 0.000 -6.230) 6.230 22.890 ( 0.000 0.000 3.065) 3.065 23.121 ( 0.000 0.000 -2.164) 2.164 24.492 ( 0.000 0.000 6.631) 6.631 25.170 ( 0.000 0.000 -9.338) 9.338 26.025 ( 0.000 0.000 4.684) 4.684 26.262 ( 0.000 0.000 -1.588) 1.588 ======================= Grid point 232 (66/192) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 26.556 -11.611 32.713) 43.706 1.465 ( 23.500 -28.175 38.772) 53.379 2.817 ( 66.722 -12.128 66.889) 95.252 4.271 ( -19.624 -2.606 -43.714) 47.987 4.467 ( 6.088 -6.109 -42.389) 43.258 5.812 ( -12.991 0.165 28.066) 30.927 6.233 ( -2.536 -0.724 31.272) 31.383 6.577 ( 8.871 0.732 10.794) 13.991 6.954 ( 29.410 -2.333 -42.732) 51.927 7.620 ( -0.421 11.659 -3.122) 12.077 7.831 ( 6.991 -10.926 -3.488) 13.432 8.133 ( 6.093 1.435 7.165) 9.514 8.568 ( 16.992 1.472 -9.020) 19.294 9.282 ( -3.402 14.742 -11.634) 19.086 9.612 ( 1.264 -7.190 4.001) 8.325 9.712 ( -21.590 10.615 20.016) 31.296 9.867 ( 8.404 7.991 4.098) 12.300 10.257 ( -12.574 13.505 15.575) 24.147 10.580 ( 0.323 2.086 6.191) 6.541 10.768 ( 22.181 -12.308 3.859) 25.659 11.224 ( 22.168 0.022 -15.305) 26.938 12.054 ( -10.749 3.736 23.398) 26.019 12.206 ( 12.990 4.979 -9.095) 16.621 12.330 ( 12.051 1.090 3.754) 12.669 12.783 ( -8.204 8.220 -26.852) 29.255 13.455 ( -3.161 3.212 4.231) 6.182 13.582 ( -7.292 3.816 -2.670) 8.652 13.967 ( -24.222 14.700 33.568) 43.927 14.203 ( -3.570 3.637 12.087) 13.118 14.755 ( -39.538 -1.947 40.618) 56.718 14.829 ( -6.792 -8.478 -0.578) 10.879 14.987 ( -12.310 -1.275 1.279) 12.442 15.708 ( -24.720 -21.617 22.504) 39.810 16.006 ( -10.437 -7.973 1.166) 13.185 16.192 ( -3.382 3.622 -0.769) 5.015 16.541 ( -32.118 -7.912 -3.159) 33.229 17.359 ( -8.190 -0.717 1.939) 8.447 17.839 ( -5.074 0.165 -8.184) 9.630 19.937 ( 26.702 25.227 -6.352) 37.279 20.238 ( 20.620 -8.575 -21.078) 30.708 20.503 ( 18.385 0.413 4.276) 18.880 21.011 ( 10.918 0.849 -12.835) 16.872 22.865 ( -2.622 0.095 2.688) 3.756 23.075 ( -4.813 0.718 -1.834) 5.201 24.100 ( 17.026 86.827 25.315) 92.031 25.628 ( 3.315 -27.350 -33.096) 43.062 26.093 ( -7.038 -31.407 1.406) 32.217 26.298 ( -4.064 -19.366 -2.062) 19.895 ======================= Grid point 233 (67/192) ======================= q-point: ( 0.13 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 39.704 -18.139 14.054) 45.857 2.260 ( 39.439 -27.361 15.187) 50.346 3.996 ( -6.825 -6.019 -35.861) 36.997 4.194 ( 63.663 -17.301 44.354) 79.496 4.712 ( 13.879 -8.992 -37.791) 41.252 5.553 ( -14.426 -5.198 31.756) 35.264 6.208 ( -1.030 -2.106 20.896) 21.028 6.759 ( 11.585 2.359 17.592) 21.196 7.356 ( 5.720 1.494 -18.445) 19.369 7.644 ( 12.950 7.858 -7.076) 16.719 8.052 ( 9.263 -4.481 -2.776) 10.658 8.300 ( 11.753 -0.051 -12.322) 17.028 8.872 ( 17.138 6.948 -3.754) 18.870 8.990 ( -7.067 12.334 11.719) 18.423 9.418 ( -1.020 10.778 3.451) 11.363 9.746 ( 5.784 -6.996 -13.463) 16.237 9.978 ( -2.637 14.659 9.313) 17.566 10.223 ( 29.030 0.568 6.728) 29.805 10.688 ( 11.631 -6.286 8.059) 15.484 11.429 ( 38.161 -7.611 3.323) 39.054 11.571 ( 4.013 2.449 0.759) 4.762 11.876 ( 4.304 5.192 9.693) 11.808 12.336 ( 3.350 18.442 -21.519) 28.537 12.568 ( 4.062 2.414 -11.664) 12.585 12.636 ( 12.277 3.006 -1.568) 12.737 13.237 ( -7.882 15.856 14.312) 22.768 13.430 ( -5.280 0.154 10.434) 11.695 13.662 ( -7.598 -8.438 18.440) 21.655 14.086 ( -5.865 3.830 9.762) 12.015 14.536 ( -5.865 -18.349 9.512) 21.484 14.769 ( -5.025 -0.350 -4.465) 6.732 14.819 ( -6.690 2.458 3.987) 8.166 15.390 ( -19.197 -6.412 15.325) 25.387 15.880 ( -25.732 -0.018 -11.471) 28.172 15.950 ( -12.309 -20.733 -1.232) 24.143 16.188 ( -8.960 -6.276 0.832) 10.971 17.181 ( -10.746 -3.284 4.726) 12.190 17.705 ( -8.386 -0.407 -7.556) 11.295 20.171 ( 15.623 16.071 -1.110) 22.441 20.481 ( 8.138 3.575 -10.654) 13.875 20.856 ( 17.329 3.501 1.383) 17.734 21.127 ( 3.643 -1.629 -7.662) 8.639 22.788 ( -5.525 0.620 1.783) 5.839 22.935 ( -8.830 2.624 -0.764) 9.243 23.891 ( 14.848 62.059 22.714) 67.732 25.681 ( -3.652 1.134 -27.594) 27.858 26.148 ( -7.935 -24.541 2.107) 25.878 26.324 ( -11.891 -26.616 0.403) 29.155 ======================= Grid point 234 (68/192) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 34.523 -22.303 13.155) 43.155 3.175 ( 39.304 -16.503 7.713) 43.320 4.045 ( 8.101 -9.706 -25.365) 28.341 4.999 ( 10.482 -2.928 -22.086) 24.622 5.296 ( 18.896 -9.719 23.082) 31.374 5.602 ( 30.776 -25.982 23.922) 46.846 6.242 ( 2.500 -4.828 10.979) 12.252 6.959 ( 11.313 2.282 19.803) 22.920 7.359 ( 0.986 0.236 -10.936) 10.983 7.772 ( 5.137 6.713 1.160) 8.532 8.214 ( 7.106 3.248 -3.131) 8.417 8.365 ( -2.195 6.285 -6.010) 8.969 8.948 ( 10.938 5.306 4.044) 12.812 9.291 ( 26.555 6.823 -11.329) 29.666 9.411 ( 9.732 5.285 -0.518) 11.087 9.813 ( -0.383 3.481 -9.299) 9.936 10.039 ( 13.726 -3.123 -4.521) 14.785 10.879 ( 27.398 -1.848 10.750) 29.490 10.983 ( 15.799 -2.802 15.590) 22.372 11.460 ( 6.707 8.683 -5.703) 12.365 11.735 ( -10.422 19.018 -17.796) 28.054 12.253 ( 30.741 -6.879 2.403) 31.593 12.352 ( 9.788 1.302 -11.205) 14.935 12.568 ( -3.581 -2.717 -14.587) 15.263 12.852 ( 11.450 17.931 -0.481) 21.280 13.136 ( 9.518 12.545 20.201) 25.614 13.374 ( 0.313 -0.483 11.782) 11.796 13.619 ( -3.211 -1.571 7.253) 8.086 13.962 ( -3.938 1.209 9.647) 10.490 14.516 ( -8.774 4.635 5.263) 11.233 14.698 ( 4.680 -5.840 -0.293) 7.490 14.829 ( 3.962 -4.439 6.813) 9.046 15.145 ( -13.133 -12.834 10.253) 21.031 15.499 ( -15.147 -12.881 -12.754) 23.623 15.892 ( -8.363 -17.244 -4.496) 19.686 16.120 ( -2.466 -3.360 0.669) 4.221 17.039 ( -8.079 -5.963 5.090) 11.258 17.560 ( -7.551 -1.243 -7.267) 10.553 20.272 ( 7.486 16.131 0.276) 17.786 20.550 ( 3.215 5.837 -7.595) 10.104 20.966 ( 0.736 6.100 3.301) 6.975 21.299 ( 10.090 -5.653 -6.431) 13.233 22.649 ( -8.650 1.538 0.902) 8.832 22.722 ( -11.537 3.395 0.517) 12.037 23.712 ( 6.777 46.085 20.488) 50.887 25.531 ( -9.840 4.694 -27.209) 29.312 26.164 ( -6.657 -17.774 3.239) 19.254 26.240 ( -15.413 -21.858 4.862) 27.185 ======================= Grid point 235 (69/192) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 30.117 -17.301 11.532) 36.597 3.886 ( 27.667 -8.909 11.279) 31.178 4.398 ( 19.239 -12.548 -10.559) 25.280 5.096 ( 2.555 -4.201 8.823) 10.101 5.592 ( 13.933 -5.381 -16.038) 21.916 6.337 ( 5.735 -12.958 3.330) 14.556 6.449 ( 24.085 -18.478 11.129) 32.333 7.122 ( 7.008 -0.125 15.199) 16.737 7.512 ( 11.233 -15.399 -6.253) 20.060 7.775 ( 0.734 5.323 1.217) 5.509 8.202 ( -0.402 8.780 -2.728) 9.203 8.356 ( 6.502 7.713 -0.456) 10.099 9.220 ( 15.846 -0.127 -3.108) 16.148 9.452 ( 11.899 8.399 2.418) 14.764 9.842 ( 18.105 8.588 0.937) 20.060 9.882 ( 19.836 5.069 -13.029) 24.268 10.308 ( 10.469 -3.828 -6.091) 12.702 10.794 ( -12.655 -5.133 24.334) 27.904 11.178 ( -13.970 15.794 -2.063) 21.186 11.721 ( 20.827 6.275 -14.986) 26.414 11.844 ( 34.699 5.071 -11.976) 37.056 12.244 ( -5.945 9.903 -8.426) 14.297 12.549 ( -2.551 -7.408 -8.660) 11.679 12.697 ( 2.181 -0.835 -8.840) 9.143 12.897 ( 8.334 15.941 3.408) 18.308 13.180 ( -0.535 1.584 17.131) 17.212 13.483 ( 3.407 -3.189 21.383) 21.886 13.532 ( -0.915 13.906 -7.945) 16.042 14.034 ( 14.110 -3.037 4.151) 15.018 14.361 ( 2.365 9.570 8.514) 13.025 14.817 ( -6.598 0.599 5.996) 8.936 14.946 ( 12.566 -8.238 14.446) 20.843 15.158 ( 6.964 -15.954 -1.561) 17.478 15.594 ( 4.598 -22.520 -11.021) 25.490 15.975 ( 9.754 -14.976 -5.246) 18.627 16.160 ( 6.512 0.620 -0.456) 6.557 16.961 ( -5.414 -6.667 4.842) 9.859 17.453 ( -5.233 -2.052 -6.641) 8.700 20.222 ( -0.142 16.125 1.113) 16.164 20.522 ( -1.199 6.567 -7.947) 10.379 20.910 ( -2.250 2.981 7.800) 8.648 21.479 ( 4.831 -4.065 -8.793) 10.825 22.443 ( -11.691 4.263 0.891) 12.476 22.487 ( -11.235 0.883 0.869) 11.303 23.477 ( -1.285 34.261 18.889) 39.144 25.266 ( -14.832 4.367 -28.053) 32.032 26.072 ( -14.829 -11.879 9.888) 21.419 26.159 ( -7.958 -17.496 1.852) 19.310 ======================= Grid point 236 (70/192) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 21.167 -7.117 11.330) 25.041 4.359 ( 18.926 -5.660 15.698) 25.232 4.842 ( 17.672 -13.431 0.151) 22.197 5.256 ( 10.941 -6.151 3.173) 12.947 5.849 ( 12.160 1.703 -20.242) 23.675 6.416 ( -2.452 -6.332 -8.378) 10.784 6.925 ( 13.080 -17.508 12.594) 25.224 7.243 ( 4.742 -3.825 10.413) 12.065 7.737 ( -0.361 0.637 -2.527) 2.631 7.922 ( 10.586 -30.066 -5.347) 32.321 8.235 ( 11.508 5.799 2.216) 13.076 8.400 ( 3.437 8.175 -0.800) 8.904 9.382 ( 4.213 2.320 0.373) 4.824 9.694 ( 19.986 8.816 -0.666) 21.854 10.073 ( 3.841 5.516 -5.576) 8.733 10.158 ( 13.163 14.357 -3.647) 19.816 10.508 ( 15.614 4.447 -2.725) 16.463 10.678 ( -3.826 -5.772 16.300) 17.710 10.877 ( -3.956 4.024 6.962) 8.961 11.888 ( 3.403 5.106 -8.811) 10.737 11.937 ( -5.229 15.031 -12.366) 20.154 12.436 ( -11.635 3.695 -1.587) 12.310 12.551 ( 21.864 -1.163 -8.788) 23.593 12.700 ( 6.318 7.365 -7.349) 12.172 12.806 ( -4.680 2.744 -0.773) 5.480 13.159 ( -2.070 1.271 8.483) 8.824 13.284 ( -8.684 14.597 -6.520) 18.193 13.550 ( -2.494 -10.088 11.754) 15.689 14.409 ( 9.856 -0.504 -13.382) 16.628 14.487 ( 18.183 -3.004 17.697) 25.551 14.715 ( 0.595 0.970 11.040) 11.098 15.205 ( 12.018 -2.196 13.229) 18.007 15.581 ( 18.982 -8.258 -2.991) 20.916 15.817 ( 8.884 -25.267 -1.293) 26.814 16.352 ( 16.580 2.396 -0.943) 16.778 16.503 ( 30.369 -9.199 -7.207) 32.540 16.933 ( -2.121 -5.434 3.832) 6.979 17.395 ( -2.787 -2.356 -6.170) 7.169 20.058 ( -5.211 14.049 2.141) 15.136 20.429 ( -3.601 5.603 -9.180) 11.342 20.851 ( -2.608 0.832 10.537) 10.887 21.523 ( -2.353 -1.749 -9.604) 10.041 22.187 ( -11.534 4.935 2.464) 12.785 22.303 ( -8.381 -0.787 -0.818) 8.457 23.185 ( -7.501 23.918 17.372) 30.498 24.939 ( -16.945 3.306 -29.655) 34.314 25.870 ( -14.610 -9.142 13.816) 22.088 26.127 ( -6.558 -11.465 0.843) 13.234 ======================= Grid point 237 (71/192) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( 10.638 1.215 13.922) 17.563 4.673 ( 10.518 -4.713 13.897) 18.054 5.249 ( 16.440 -11.051 1.537) 19.868 5.532 ( 12.653 -5.341 -1.400) 13.805 6.016 ( 7.817 3.148 -19.876) 21.589 6.358 ( -6.794 -2.985 -13.255) 15.191 7.194 ( 5.614 -10.527 12.472) 17.259 7.337 ( 2.707 -2.256 6.877) 7.727 7.743 ( -0.116 -4.275 1.187) 4.438 8.293 ( 4.953 -25.881 -4.691) 26.765 8.351 ( -0.030 3.871 4.253) 5.750 8.581 ( 24.782 -2.829 1.612) 24.995 9.471 ( 10.670 7.570 7.714) 15.188 9.913 ( -2.470 7.269 1.683) 7.859 9.926 ( -3.294 2.230 -7.029) 8.077 10.197 ( 6.532 18.237 -9.122) 21.412 10.462 ( -16.091 -4.110 10.032) 19.402 10.708 ( 8.095 1.600 2.395) 8.592 11.202 ( 22.072 1.183 0.539) 22.111 11.762 ( 5.507 15.560 2.683) 16.722 11.934 ( -0.460 -3.215 -17.991) 18.281 12.075 ( -15.356 9.179 -3.035) 18.146 12.644 ( -5.119 7.215 -4.659) 9.999 12.750 ( 1.046 1.892 -2.553) 3.345 12.781 ( -2.535 -3.056 10.463) 11.191 12.941 ( -6.476 13.369 -2.003) 14.989 13.387 ( 9.982 -8.966 -9.658) 16.532 13.548 ( -2.554 -9.025 7.063) 11.741 14.367 ( -5.696 2.979 -11.081) 12.810 14.820 ( 11.393 2.048 21.556) 24.467 14.944 ( 17.384 -7.311 4.274) 19.337 15.339 ( -0.701 -5.509 -6.386) 8.462 15.913 ( 16.853 -2.163 10.768) 20.115 16.295 ( 21.501 -9.830 3.846) 23.952 16.659 ( 15.335 -0.175 1.862) 15.449 16.960 ( 2.941 -3.508 -0.719) 4.634 17.101 ( 24.336 -5.494 -7.915) 26.174 17.380 ( -0.520 -2.272 -6.014) 6.450 19.862 ( -5.998 9.524 3.372) 11.750 20.328 ( -3.419 3.446 -10.542) 11.606 20.803 ( -2.302 -0.296 11.463) 11.696 21.438 ( -6.241 0.387 -8.747) 10.753 21.972 ( -7.499 4.310 4.329) 9.672 22.195 ( -4.300 -1.545 -2.409) 5.165 22.882 ( -9.678 14.089 15.682) 23.196 24.622 ( -14.363 2.033 -31.811) 34.963 25.682 ( -10.880 -5.660 17.281) 21.190 26.086 ( -4.656 -6.763 -0.138) 8.212 ======================= Grid point 238 (72/192) ======================= q-point: ( 0.47 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( 3.462 0.901 14.147) 14.592 4.817 ( 3.141 -1.156 11.491) 11.969 5.546 ( 7.699 -4.489 0.074) 8.913 5.751 ( 6.548 -2.653 -1.589) 7.241 6.104 ( 4.392 1.753 -18.871) 19.454 6.230 ( -7.248 -0.528 -14.873) 16.554 7.303 ( 1.057 -3.960 7.259) 8.336 7.379 ( 0.993 -0.385 5.426) 5.530 7.778 ( 0.618 -2.330 7.167) 7.562 8.260 ( -2.207 1.352 12.661) 12.923 8.565 ( 4.260 -11.436 -5.831) 13.525 9.058 ( 17.793 -3.571 -6.717) 19.351 9.653 ( 13.698 8.543 4.659) 16.803 9.774 ( -0.713 -0.604 2.541) 2.707 9.889 ( -1.939 2.915 5.157) 6.233 10.003 ( -16.665 -2.897 3.208) 17.217 10.174 ( -11.822 6.248 10.254) 16.850 11.015 ( 18.791 4.498 -14.751) 24.309 11.289 ( 2.590 0.511 -1.288) 2.938 11.618 ( -22.956 0.400 -7.148) 24.047 12.010 ( 5.027 -0.663 -13.364) 14.294 12.076 ( 19.750 7.248 -2.248) 21.157 12.466 ( -12.609 3.451 -8.623) 15.661 12.612 ( -1.465 0.304 -6.612) 6.779 12.734 ( -4.009 3.706 6.402) 8.414 13.005 ( 11.594 -1.106 23.694) 26.402 13.333 ( -13.519 -7.209 5.572) 16.303 13.725 ( 7.240 -2.365 -11.780) 14.028 14.258 ( -2.538 2.833 -12.158) 12.739 14.959 ( 4.130 0.417 22.054) 22.441 15.226 ( 8.195 -3.006 1.926) 8.939 15.320 ( -3.473 -2.759 -11.909) 12.708 16.174 ( 8.472 0.613 14.841) 17.100 16.631 ( 8.915 -2.156 3.778) 9.920 16.847 ( 4.354 -0.766 8.838) 9.882 17.049 ( 3.452 -0.964 -6.383) 7.320 17.361 ( 1.358 -0.960 -9.418) 9.563 17.481 ( 7.980 -2.342 -6.528) 10.572 19.732 ( -2.556 3.337 4.321) 6.028 20.266 ( -1.316 1.099 -11.481) 11.609 20.775 ( -0.947 -0.320 11.341) 11.385 21.336 ( -3.243 0.536 -8.202) 8.836 21.861 ( -2.140 1.837 6.337) 6.937 22.155 ( -1.226 -0.720 -2.698) 3.050 22.669 ( -4.867 4.617 14.131) 15.642 24.417 ( -5.840 0.678 -33.638) 34.147 25.567 ( -4.071 -1.926 19.398) 19.914 26.058 ( -1.707 -2.251 -0.710) 2.913 ======================= Grid point 247 (73/192) ======================= q-point: ( 0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 36.602 -0.000 28.618) 46.462 2.080 ( 51.480 -0.000 4.986) 51.721 3.956 ( -9.981 0.000 -38.246) 39.527 4.068 ( 68.834 -0.000 49.434) 84.746 4.646 ( 15.360 -0.000 -41.309) 44.072 5.518 ( -16.953 0.000 33.566) 37.604 6.193 ( -1.144 0.000 21.778) 21.808 6.777 ( 11.589 -0.000 17.113) 20.668 7.365 ( 8.158 -0.000 -22.521) 23.953 7.713 ( 9.032 -0.000 -6.103) 10.901 8.008 ( 13.391 -0.000 -2.438) 13.611 8.299 ( 11.744 -0.000 -12.422) 17.095 8.922 ( 19.036 -0.000 -3.005) 19.271 9.090 ( -14.272 0.000 16.627) 21.912 9.527 ( -5.643 0.000 -11.218) 12.558 9.657 ( 9.163 -0.000 -2.477) 9.492 10.087 ( -9.588 0.000 10.569) 14.270 10.240 ( 29.373 -0.000 2.930) 29.519 10.633 ( 11.345 -0.000 11.213) 15.951 11.372 ( 41.730 -0.000 3.408) 41.869 11.588 ( 7.461 -0.000 -1.046) 7.534 11.910 ( 3.072 -0.000 13.343) 13.692 12.482 ( 6.622 -0.000 -22.479) 23.434 12.569 ( -13.198 0.000 -24.768) 28.065 12.689 ( 24.009 -0.000 0.989) 24.029 13.425 ( -0.724 0.000 9.143) 9.172 13.461 ( -7.118 0.000 -6.410) 9.579 13.501 ( -16.151 0.000 54.215) 56.569 14.127 ( -4.963 0.000 24.396) 24.896 14.368 ( -3.535 0.000 -9.068) 9.733 14.730 ( -4.439 0.000 1.368) 4.645 14.844 ( -8.900 0.000 3.915) 9.723 15.391 ( -13.305 0.000 15.520) 20.443 15.754 ( -12.611 0.000 -3.478) 13.082 15.861 ( -33.662 0.000 -7.068) 34.396 16.179 ( -1.103 0.000 -3.299) 3.478 17.156 ( -11.597 0.000 5.147) 12.688 17.702 ( -8.625 0.000 -7.818) 11.641 20.298 ( 11.928 -0.000 -1.777) 12.060 20.498 ( 9.075 -0.000 -9.402) 13.067 20.884 ( 20.244 -0.000 0.821) 20.261 21.114 ( 0.243 -0.000 -6.591) 6.595 22.792 ( -5.417 0.000 1.760) 5.696 22.950 ( -9.041 0.000 -1.575) 9.177 24.590 ( 3.554 -0.000 7.890) 8.654 25.434 ( -7.830 0.000 -9.984) 12.688 25.925 ( -1.518 0.000 -0.742) 1.690 26.194 ( -4.402 0.000 -2.794) 5.214 ======================= Grid point 248 (74/192) ======================= q-point: ( 0.13 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 39.761 -9.533 19.445) 45.276 3.019 ( 45.440 -5.466 4.790) 46.018 3.955 ( 8.573 -3.093 -24.253) 25.909 4.982 ( 19.371 -0.073 -35.386) 40.341 5.217 ( 20.369 -0.118 31.351) 37.388 5.315 ( 24.274 -13.881 28.685) 40.060 6.196 ( 1.134 -1.575 13.066) 13.209 6.983 ( 10.548 0.979 18.000) 20.886 7.363 ( -3.234 0.174 -14.783) 15.134 7.840 ( 4.169 2.608 1.181) 5.058 8.247 ( 11.848 1.267 0.697) 11.936 8.421 ( -0.665 1.807 -10.693) 10.865 9.001 ( 5.687 1.966 5.776) 8.341 9.367 ( 29.079 3.819 -11.852) 31.633 9.440 ( 1.771 -0.596 -9.837) 10.013 9.888 ( 5.690 6.214 -2.284) 8.729 9.978 ( 6.996 -5.242 0.409) 8.751 10.879 ( 14.851 1.321 21.114) 25.847 10.937 ( 31.707 -3.073 6.263) 32.465 11.544 ( 5.971 3.114 -5.016) 8.397 11.957 ( -7.100 10.363 -26.609) 29.425 12.182 ( 22.036 -2.364 3.943) 22.511 12.294 ( 12.815 -6.171 -9.603) 17.162 12.578 ( -4.122 1.979 -17.413) 18.003 13.116 ( 21.909 14.556 1.126) 26.327 13.281 ( -0.227 7.922 27.796) 28.903 13.366 ( -2.684 -1.362 15.064) 15.362 13.544 ( 4.418 -7.857 4.409) 10.034 14.053 ( 0.981 9.600 18.199) 20.599 14.346 ( -5.369 -13.438 -4.719) 15.221 14.693 ( -7.004 -5.042 3.015) 9.141 14.763 ( 8.412 -4.102 2.721) 9.747 15.122 ( -11.186 9.175 15.215) 20.995 15.366 ( -19.042 -2.368 -10.268) 21.763 15.602 ( -10.260 -19.490 -5.907) 22.804 16.178 ( 3.505 4.887 -5.246) 7.980 16.972 ( -8.957 -2.887 6.678) 11.539 17.547 ( -7.893 -0.498 -7.638) 10.995 20.436 ( 5.303 6.235 -0.530) 8.202 20.599 ( 2.759 1.411 -5.307) 6.146 21.049 ( -2.679 4.551 0.910) 5.359 21.224 ( 12.706 -4.059 -3.407) 13.767 22.661 ( -8.609 0.353 0.956) 8.669 22.748 ( -12.237 0.669 -0.767) 12.279 24.421 ( 0.973 47.054 11.031) 48.339 25.337 ( -18.440 -32.717 -8.090) 38.417 25.916 ( -1.758 -3.730 -1.964) 4.567 26.101 ( -7.823 -5.364 -1.418) 9.591 ======================= Grid point 249 (75/192) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 37.868 -9.237 14.622) 41.631 3.785 ( 32.634 -5.172 10.895) 34.791 4.269 ( 19.872 -5.696 -7.736) 22.072 5.091 ( 3.024 3.009 14.753) 15.357 5.488 ( 19.511 -8.769 -23.093) 31.478 6.115 ( 21.707 -13.311 12.004) 28.151 6.291 ( 11.003 -6.200 3.910) 13.222 7.129 ( 5.423 1.085 12.689) 13.842 7.344 ( 0.405 -8.228 -10.432) 13.293 7.845 ( -0.928 3.753 1.047) 4.006 8.316 ( -1.294 6.647 -3.393) 7.574 8.436 ( 7.453 3.574 1.200) 8.352 9.193 ( 11.129 -2.845 -7.359) 13.642 9.513 ( 11.299 1.536 1.723) 11.532 9.959 ( 21.655 7.524 0.873) 22.942 9.969 ( 24.685 5.856 -10.413) 27.424 10.238 ( 10.288 -5.572 -4.317) 12.471 10.735 ( -15.319 -2.958 31.728) 35.356 11.366 ( -13.724 10.029 -4.262) 17.524 11.817 ( 24.846 5.845 -24.329) 35.262 11.891 ( 29.873 2.446 -11.505) 32.105 12.335 ( -7.671 1.942 -13.313) 15.487 12.441 ( -1.907 -7.132 -5.295) 9.085 12.685 ( 9.760 1.630 -4.112) 10.716 13.125 ( -3.856 11.347 14.958) 19.167 13.224 ( -3.217 3.960 15.260) 16.090 13.491 ( 7.492 6.198 12.663) 15.966 13.702 ( 9.590 6.070 -3.353) 11.834 14.050 ( 9.772 7.419 3.674) 12.807 14.368 ( -1.910 -6.770 10.562) 12.690 14.798 ( 11.940 -19.513 1.855) 22.951 14.842 ( -5.897 1.462 9.975) 11.679 14.989 ( 3.248 0.846 7.528) 8.242 15.308 ( 5.889 -12.047 -10.405) 16.972 15.728 ( 13.046 -19.004 -6.092) 23.843 16.270 ( 12.804 9.909 -5.706) 17.167 16.870 ( -5.331 -5.670 6.906) 10.405 17.428 ( -5.466 -1.263 -6.935) 8.920 20.404 ( -2.654 9.070 0.212) 9.453 20.587 ( -2.242 2.734 -5.446) 6.493 20.953 ( -4.210 2.673 6.003) 7.805 21.428 ( 6.448 -2.791 -6.561) 9.613 22.475 ( -10.904 0.864 0.382) 10.945 22.502 ( -12.981 1.083 0.406) 13.032 24.042 ( -6.184 43.569 12.617) 45.779 25.167 ( -20.962 -21.956 -13.579) 33.254 25.883 ( -7.363 -6.701 0.977) 10.004 26.003 ( -6.378 -8.222 1.340) 10.492 ======================= Grid point 250 (76/192) ======================= q-point: ( 0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( 31.788 -2.479 12.682) 34.314 4.301 ( 20.374 -3.115 15.283) 25.659 4.688 ( 19.122 -8.157 3.254) 21.042 5.241 ( 15.439 3.860 5.287) 16.770 5.867 ( 16.399 0.154 -21.322) 26.899 6.296 ( -0.522 -10.130 -4.660) 11.162 6.674 ( 13.349 -15.512 5.761) 21.261 7.195 ( 2.481 -2.379 6.180) 7.071 7.523 ( 5.410 -24.132 -6.831) 25.657 7.765 ( -4.412 2.450 -2.069) 5.455 8.320 ( 7.728 5.449 2.242) 9.718 8.492 ( 1.194 4.752 -1.082) 5.017 9.385 ( 8.580 -1.383 1.395) 8.802 9.783 ( 17.784 3.876 2.426) 18.363 10.147 ( -0.346 4.636 -6.045) 7.626 10.329 ( 11.645 9.422 -2.118) 15.128 10.527 ( 11.895 -1.271 -0.303) 11.966 10.639 ( 17.149 -0.457 15.188) 22.912 10.951 ( -16.695 5.863 4.160) 18.177 11.954 ( -1.982 5.762 -19.243) 20.185 12.153 ( -5.303 11.609 -10.351) 16.433 12.435 ( 0.028 -2.543 6.339) 6.830 12.546 ( 24.361 0.391 -17.795) 30.171 12.753 ( 3.783 1.621 -6.140) 7.392 12.866 ( -12.187 4.657 11.956) 17.696 13.190 ( -1.540 -1.740 8.054) 8.383 13.391 ( -9.646 5.392 5.254) 12.236 13.644 ( -3.549 20.508 -5.291) 21.475 14.361 ( 12.792 -4.276 -5.067) 14.409 14.441 ( 12.589 -2.521 13.633) 18.727 14.734 ( -1.151 0.951 15.465) 15.537 15.101 ( 0.549 -16.777 -3.000) 17.052 15.367 ( 25.740 -24.084 6.778) 35.896 15.568 ( 20.284 1.693 0.116) 20.354 16.302 ( 29.738 -13.409 -7.148) 33.395 16.515 ( 21.815 11.205 -2.758) 24.679 16.860 ( 0.488 -5.097 4.117) 6.570 17.365 ( -2.583 -1.747 -6.098) 6.849 20.226 ( -8.935 9.200 1.231) 12.883 20.491 ( -5.297 3.131 -7.233) 9.496 20.865 ( -3.811 1.038 9.399) 10.195 21.498 ( -0.522 -1.509 -8.446) 8.596 22.242 ( -11.665 3.002 1.376) 12.123 22.294 ( -9.316 -0.549 0.467) 9.344 23.592 ( -12.736 32.387 12.698) 37.045 24.895 ( -20.353 -11.168 -20.447) 30.936 25.744 ( -11.424 -6.870 8.775) 15.960 25.985 ( -3.054 -8.302 0.067) 8.846 ======================= Grid point 251 (77/192) ======================= q-point: ( 0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.580 ( 9.900 -0.138 15.733) 18.589 4.682 ( 21.256 6.167 11.874) 25.117 5.112 ( 20.241 -8.320 2.513) 22.028 5.530 ( 17.158 5.201 -0.398) 17.933 6.077 ( 9.149 5.484 -18.747) 21.570 6.298 ( -4.724 -5.543 -13.056) 14.950 6.991 ( 7.182 -17.665 11.431) 22.233 7.271 ( 2.616 -5.920 4.279) 7.759 7.681 ( -3.659 -3.972 -2.536) 5.967 7.851 ( 6.795 -32.104 -6.286) 33.412 8.403 ( -4.418 2.754 3.939) 6.528 8.573 ( 19.713 0.655 3.893) 20.104 9.558 ( 11.875 4.736 11.865) 17.442 9.962 ( -11.895 2.914 -8.037) 14.648 9.991 ( 3.979 2.575 6.272) 7.862 10.436 ( 4.956 14.388 -8.466) 17.414 10.444 ( -17.867 1.860 8.569) 19.903 10.718 ( 10.241 -0.096 0.829) 10.275 11.225 ( 20.954 1.243 -4.172) 21.402 11.900 ( -1.739 0.651 -14.825) 14.941 11.981 ( 1.817 12.646 -4.847) 13.665 12.225 ( -13.121 10.555 -1.938) 16.951 12.645 ( -10.264 -5.508 1.831) 11.792 12.738 ( 8.496 -1.415 16.979) 19.039 12.895 ( -3.708 16.574 -7.450) 18.546 13.125 ( -8.767 7.517 -0.928) 11.586 13.259 ( 1.262 -7.894 -2.994) 8.536 13.514 ( 6.597 6.895 -2.086) 9.768 14.368 ( -6.286 -2.584 -8.511) 10.891 14.821 ( 8.414 -2.389 17.944) 19.962 14.863 ( 19.655 -3.637 9.165) 21.990 15.181 ( -2.778 -15.502 -11.339) 19.407 15.967 ( 18.359 -18.328 2.183) 26.033 15.994 ( 25.304 2.623 12.397) 28.300 16.712 ( 10.381 0.839 5.539) 11.796 16.991 ( 23.710 -9.682 -4.460) 25.996 17.002 ( 17.984 8.437 -7.451) 21.217 17.352 ( -0.199 -1.367 -5.391) 5.566 19.977 ( -10.907 6.455 2.698) 12.958 20.369 ( -5.232 2.352 -9.301) 10.928 20.799 ( -2.888 -0.220 10.852) 11.231 21.443 ( -5.170 0.314 -8.752) 10.170 22.031 ( -8.173 3.851 3.428) 9.664 22.172 ( -4.564 -1.704 -0.163) 4.875 23.135 ( -15.372 20.778 12.332) 28.637 24.607 ( -15.922 -4.744 -27.198) 31.871 25.596 ( -8.697 -5.792 15.130) 18.387 25.995 ( -1.279 -5.849 -0.637) 6.021 ======================= Grid point 252 (78/192) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.690 ( 2.571 0.429 13.961) 14.203 4.908 ( 11.087 12.974 11.301) 20.469 5.498 ( 15.203 -2.549 -0.587) 15.426 5.760 ( 10.631 4.124 -1.200) 11.466 6.153 ( 4.004 5.383 -17.570) 18.807 6.222 ( -5.328 -0.871 -15.073) 16.010 7.175 ( 1.789 -13.235 8.950) 16.077 7.352 ( 1.417 -4.149 5.403) 6.958 7.691 ( -0.592 -8.771 2.065) 9.031 8.186 ( 3.239 -22.289 1.520) 22.574 8.318 ( -1.445 -9.196 4.804) 10.476 9.016 ( 21.676 -2.390 -3.801) 22.136 9.730 ( 5.140 3.084 3.582) 6.983 9.777 ( 0.255 1.032 6.533) 6.619 9.901 ( -18.197 -0.163 8.840) 20.231 10.054 ( -6.718 6.643 3.882) 10.214 10.306 ( -8.486 11.675 4.791) 15.207 11.065 ( 13.146 2.366 -15.751) 20.652 11.278 ( 1.908 -2.090 -7.297) 7.827 11.651 ( -22.972 2.946 -4.470) 23.587 12.013 ( 2.204 1.246 -13.448) 13.684 12.233 ( 17.696 13.519 -6.945) 23.327 12.550 ( -12.676 2.470 -2.994) 13.257 12.593 ( -4.564 5.190 2.834) 7.470 12.855 ( -8.293 10.817 -3.325) 14.030 12.997 ( 16.025 -0.097 29.085) 33.208 13.247 ( -5.202 -4.204 2.209) 7.044 13.714 ( 10.755 0.674 -10.438) 15.003 14.245 ( -8.832 -4.485 -10.181) 14.205 14.947 ( 2.707 -2.162 20.766) 21.053 15.168 ( 9.296 -4.897 0.416) 10.515 15.253 ( 2.030 -5.840 -12.290) 13.757 16.272 ( 12.397 11.569 11.802) 20.659 16.339 ( -0.055 -27.144 4.819) 27.569 16.831 ( 3.321 -2.028 9.780) 10.526 17.246 ( 16.605 17.291 -8.638) 25.482 17.342 ( 2.681 -0.691 -6.953) 7.484 17.419 ( 8.835 -6.015 -5.545) 12.041 19.767 ( -8.001 1.574 4.137) 9.144 20.280 ( -2.946 0.867 -11.037) 11.456 20.767 ( -0.872 -0.680 11.127) 11.182 21.346 ( -3.568 0.889 -8.452) 9.217 21.894 ( -4.154 2.604 5.941) 7.703 22.142 ( -0.201 -1.176 -1.217) 1.704 22.772 ( -10.777 9.616 12.366) 19.014 24.411 ( -6.800 -1.615 -32.260) 33.009 25.526 ( -2.101 -3.625 19.040) 19.495 26.025 ( 1.547 -2.305 -0.957) 2.937 ======================= Grid point 253 (79/192) ======================= q-point: (-0.53 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( -2.852 1.046 13.222) 13.567 4.932 ( 2.661 14.423 12.009) 18.955 5.633 ( 0.333 7.820 -1.667) 8.002 5.821 ( -0.707 6.516 -0.301) 6.561 6.100 ( -5.639 1.337 -17.835) 18.753 6.242 ( 7.652 1.283 -13.964) 15.975 7.268 ( 0.159 -7.644 5.394) 9.356 7.380 ( -0.463 -1.493 6.620) 6.802 7.745 ( -0.614 -6.919 6.507) 9.518 8.213 ( -1.620 -4.600 13.480) 14.335 8.520 ( 2.000 -17.525 -5.976) 18.623 9.113 ( -12.204 3.786 -9.363) 15.841 9.510 ( -19.005 -9.672 4.456) 21.785 9.766 ( -2.834 -1.789 -2.611) 4.248 9.902 ( 5.828 4.476 4.654) 8.698 10.074 ( -1.546 3.950 8.619) 9.606 10.162 ( 19.800 6.185 11.705) 23.818 10.941 ( -18.389 -5.841 -14.009) 23.844 11.272 ( -9.822 -2.238 1.805) 10.234 11.639 ( 22.412 2.221 -9.314) 24.372 12.022 ( -0.300 0.728 -16.489) 16.507 12.066 ( -26.070 7.358 4.009) 27.384 12.444 ( 6.614 -0.118 -9.585) 11.646 12.597 ( -2.057 0.130 -2.932) 3.585 12.739 ( 3.938 2.445 4.018) 6.134 13.034 ( -7.022 3.249 14.429) 16.372 13.438 ( 20.652 7.171 11.515) 24.708 13.779 ( -3.750 4.892 -10.865) 12.492 14.168 ( -2.031 -9.407 -11.052) 14.655 14.937 ( -5.815 -2.643 18.700) 19.761 15.238 ( -5.090 -2.019 10.433) 11.783 15.341 ( 5.311 1.159 -21.596) 22.270 16.250 ( -6.080 8.954 14.065) 17.747 16.377 ( -14.921 -24.822 4.346) 29.286 16.870 ( 0.279 0.879 8.598) 8.647 17.281 ( 2.886 21.101 -3.767) 21.628 17.367 ( -1.032 0.182 -10.900) 10.950 17.486 ( -5.289 -1.210 -5.502) 7.727 19.674 ( -3.010 -4.527 4.775) 7.236 20.250 ( -0.538 -1.173 -11.930) 12.000 20.775 ( 1.188 -0.265 11.517) 11.581 21.332 ( 2.674 -0.030 -8.302) 8.722 21.843 ( -0.196 -0.661 6.934) 6.968 22.165 ( 2.225 0.711 -3.157) 3.928 22.639 ( 0.215 0.121 14.009) 14.011 24.397 ( 3.928 -1.925 -34.078) 34.358 25.578 ( 6.097 -0.411 19.827) 20.747 26.087 ( 4.895 1.717 -0.801) 5.248 ======================= Grid point 254 (80/192) ======================= q-point: (-0.47 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( -6.874 2.922 13.367) 15.313 4.806 ( -5.533 14.304 13.285) 20.291 5.433 ( -11.049 15.061 -0.869) 18.699 5.664 ( -7.788 12.394 -0.064) 14.638 5.983 ( -7.688 -1.601 -19.972) 21.460 6.387 ( 7.443 1.175 -10.183) 12.667 7.276 ( -3.118 -0.397 8.092) 8.681 7.345 ( -3.613 0.506 10.181) 10.815 7.763 ( -0.485 -2.568 4.025) 4.799 8.242 ( -1.829 -9.408 7.795) 12.354 8.542 ( -3.544 4.445 -6.105) 8.342 8.670 ( -25.938 9.190 -1.236) 27.546 9.341 ( -8.849 -10.277 3.235) 13.943 9.783 ( -3.034 -11.170 -0.767) 11.600 9.878 ( -0.566 -8.301 -5.345) 9.889 10.024 ( -8.680 0.995 -10.332) 13.531 10.540 ( 13.882 5.947 10.493) 18.390 10.674 ( -2.733 -2.914 2.292) 4.605 11.219 ( -15.517 3.697 4.786) 16.654 11.544 ( -14.468 -13.412 6.298) 20.709 11.958 ( 1.993 -3.855 -8.427) 9.479 12.019 ( 11.537 4.626 -9.925) 15.906 12.557 ( 4.309 -4.069 -8.537) 10.393 12.658 ( 4.824 -9.156 -3.870) 11.049 12.813 ( 2.158 1.238 0.849) 2.629 12.873 ( -6.337 2.404 4.593) 8.187 13.513 ( -12.959 8.065 -9.194) 17.819 13.705 ( 11.229 11.991 10.963) 19.750 14.289 ( 5.740 -7.278 -11.055) 14.427 14.771 ( -14.415 -4.545 16.804) 22.601 15.054 ( -12.273 7.575 5.531) 15.447 15.356 ( -4.629 -1.861 -7.914) 9.355 15.969 ( -20.696 -2.260 11.095) 23.591 16.219 ( -10.444 -5.209 4.670) 12.570 16.799 ( -6.052 10.168 4.927) 12.817 17.104 ( -3.923 16.695 -2.861) 17.387 17.148 ( -22.746 1.779 -7.728) 24.089 17.411 ( 0.275 1.797 -6.102) 6.367 19.713 ( 0.774 -11.068 4.339) 11.914 20.274 ( 1.001 -4.031 -11.961) 12.661 20.807 ( 1.985 0.115 12.198) 12.359 21.431 ( 6.861 -0.534 -8.926) 11.271 21.911 ( 5.807 -4.103 6.015) 9.313 22.217 ( 4.519 1.574 -4.222) 6.382 22.738 ( 6.555 -6.411 16.522) 18.895 24.568 ( 11.071 -5.022 -33.374) 35.519 25.746 ( 12.655 3.171 18.069) 22.287 26.179 ( 7.940 6.001 -0.174) 9.954 ======================= Grid point 255 (81/192) ======================= q-point: (-0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.374 ( -11.349 7.854 12.170) 18.401 4.504 ( -15.969 15.859 12.195) 25.597 5.070 ( -14.740 18.534 -2.695) 23.834 5.407 ( -8.162 14.365 1.842) 16.624 5.827 ( -10.101 -1.335 -18.463) 21.088 6.475 ( 3.104 2.148 -6.588) 7.593 7.124 ( -9.446 9.819 16.090) 21.084 7.272 ( -5.258 -0.971 12.204) 13.324 7.761 ( -1.211 2.865 -1.175) 3.324 8.166 ( -19.587 -0.337 1.151) 19.623 8.230 ( -7.332 -7.108 0.378) 10.218 8.364 ( -7.629 18.492 -6.062) 20.902 9.312 ( -1.933 -7.174 -2.097) 7.720 9.547 ( -24.385 -10.525 -3.421) 26.779 9.887 ( -9.440 -19.813 -7.236) 23.109 10.046 ( -3.859 -0.993 -1.498) 4.257 10.423 ( -13.889 -6.436 0.771) 15.327 10.791 ( 6.105 8.970 12.831) 16.803 10.843 ( -4.848 -0.438 5.932) 7.674 11.661 ( 2.684 -18.329 -0.173) 18.525 11.903 ( -4.266 2.214 -11.371) 12.345 12.340 ( 14.799 -8.517 -3.681) 17.467 12.545 ( -20.274 -3.526 -13.585) 24.658 12.605 ( -8.162 -4.175 -1.761) 9.335 12.779 ( 2.640 -1.299 -1.093) 3.139 13.019 ( 11.955 -11.158 -6.923) 17.758 13.291 ( -0.983 8.206 5.565) 9.964 13.728 ( -0.014 13.142 12.624) 18.223 14.347 ( -11.082 -7.377 -11.191) 17.391 14.518 ( -15.166 -0.245 15.080) 21.388 14.740 ( -8.337 5.576 4.256) 10.895 15.250 ( -4.169 1.974 7.380) 8.703 15.540 ( -29.921 -11.335 6.435) 32.637 16.130 ( 4.514 18.941 -1.838) 19.558 16.486 ( -11.926 18.487 -0.897) 22.018 16.616 ( -28.045 6.716 -6.115) 29.479 17.021 ( 2.782 7.308 2.744) 8.287 17.428 ( 2.811 2.120 -6.025) 6.978 19.836 ( 1.074 -16.689 3.292) 17.044 20.336 ( 1.046 -7.290 -11.551) 13.699 20.842 ( 1.694 -0.461 11.986) 12.114 21.543 ( 4.070 0.943 -10.774) 11.555 22.101 ( 9.753 -6.884 5.312) 13.066 22.317 ( 7.560 1.233 -2.352) 8.013 22.927 ( 5.724 -12.355 18.413) 22.901 24.846 ( 12.836 -8.753 -32.392) 35.925 25.977 ( 15.036 5.785 15.261) 22.191 26.292 ( 10.823 10.911 0.613) 15.380 ======================= Grid point 256 (82/192) ======================= q-point: (-0.33 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.983 ( -23.171 23.582 7.541) 33.910 4.037 ( -19.464 12.499 10.719) 25.495 4.626 ( -17.792 19.283 -12.326) 28.989 5.207 ( -3.601 10.979 3.094) 11.962 5.647 ( -8.301 2.912 -9.358) 12.843 6.460 ( -2.259 5.437 -1.335) 6.037 6.760 ( -19.787 21.422 16.763) 33.637 7.131 ( -9.530 0.886 18.517) 20.844 7.654 ( -8.792 -1.809 -2.899) 9.433 7.846 ( -17.561 21.348 0.071) 27.643 8.080 ( 0.138 -7.327 -2.117) 7.628 8.217 ( -7.156 -11.585 -2.509) 13.846 9.180 ( -21.656 -6.573 -2.241) 22.742 9.265 ( -14.974 -16.190 5.926) 22.836 9.700 ( -16.075 -10.737 -1.278) 19.373 9.860 ( -8.007 0.871 -12.369) 14.760 10.341 ( -10.039 0.619 -8.944) 13.459 10.872 ( 7.293 4.005 5.796) 10.140 10.936 ( 10.164 -16.042 9.921) 21.426 11.656 ( -19.279 -3.782 -9.954) 22.024 11.731 ( -25.193 -9.726 -8.556) 28.328 12.099 ( -9.624 -9.714 0.469) 13.682 12.591 ( 0.729 -11.267 -6.560) 13.058 12.626 ( 7.982 2.147 -13.209) 15.582 12.825 ( -3.514 2.715 -2.789) 5.244 13.174 ( -2.889 0.297 10.782) 11.166 13.387 ( 8.327 -5.354 -6.105) 11.631 13.546 ( -9.045 4.528 21.650) 23.896 14.027 ( -19.597 -6.523 -6.332) 21.602 14.255 ( -5.955 0.432 20.500) 21.352 14.776 ( 3.948 -4.567 0.813) 6.092 15.091 ( -21.862 -5.052 6.777) 23.439 15.218 ( 3.605 7.186 2.769) 8.503 15.931 ( -9.961 24.535 -8.097) 27.690 16.185 ( -4.936 15.714 -1.756) 16.564 16.305 ( 5.962 18.005 -0.166) 18.967 17.055 ( 5.636 6.505 3.669) 9.356 17.483 ( 4.843 2.086 -6.191) 8.133 19.960 ( -2.720 -20.199 2.163) 20.495 20.402 ( -0.878 -9.938 -11.285) 15.063 20.875 ( 0.774 -1.999 10.101) 10.326 21.536 ( -3.438 3.516 -11.547) 12.551 22.343 ( 9.400 -9.730 5.766) 14.707 22.477 ( 9.514 -0.638 0.589) 9.554 23.103 ( 1.263 -17.758 19.320) 26.272 25.140 ( 10.562 -11.659 -32.079) 35.729 26.188 ( 11.595 6.400 12.477) 18.196 26.432 ( 15.564 17.305 0.924) 23.293 ======================= Grid point 257 (83/192) ======================= q-point: (-0.27 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -33.129 24.868 3.584) 41.579 3.487 ( -25.413 26.600 12.579) 38.880 4.233 ( -8.115 16.593 -26.121) 31.993 5.069 ( -6.584 6.760 -16.531) 19.035 5.458 ( -10.887 11.880 18.437) 24.487 6.036 ( -32.889 33.810 23.541) 52.716 6.333 ( -4.431 7.720 6.729) 11.159 6.924 ( -13.090 -2.350 22.663) 26.277 7.372 ( -9.101 2.919 -6.754) 11.704 7.661 ( -6.284 -8.046 2.734) 10.569 8.149 ( -3.350 -6.442 -4.748) 8.676 8.241 ( 3.640 -10.740 -3.714) 11.932 8.849 ( -15.836 -8.853 0.375) 18.147 9.147 ( -17.616 -14.218 0.114) 22.638 9.329 ( -20.254 -3.943 1.324) 20.677 9.794 ( -2.794 0.213 -18.449) 18.660 10.062 ( -16.635 0.016 -9.939) 19.378 10.925 ( -34.630 3.002 6.763) 35.411 11.011 ( -1.161 1.969 17.739) 17.885 11.265 ( -7.979 -20.415 -14.962) 26.539 11.479 ( 3.793 -14.235 -3.561) 15.156 12.216 ( -0.161 -14.864 1.022) 14.900 12.384 ( -32.008 9.252 0.163) 33.319 12.618 ( -9.377 1.322 -9.523) 13.430 12.713 ( 2.404 1.199 -12.521) 12.806 12.972 ( -14.408 -8.875 11.203) 20.295 13.373 ( 0.049 -0.878 10.799) 10.835 13.621 ( 8.635 -0.523 8.850) 12.375 13.967 ( 4.111 -1.557 0.017) 4.396 14.302 ( 4.740 -13.575 9.733) 17.364 14.782 ( -4.987 -1.615 9.279) 10.658 14.897 ( -2.448 -3.149 2.906) 4.935 15.280 ( 9.281 9.492 2.115) 13.443 15.730 ( 10.149 21.500 -12.247) 26.744 16.129 ( 11.581 20.522 3.731) 23.858 16.339 ( 11.117 21.466 -0.316) 24.176 17.128 ( 7.231 6.269 3.810) 10.301 17.580 ( 6.904 1.385 -6.640) 9.678 19.999 ( -9.676 -21.542 1.207) 23.646 20.429 ( -4.740 -11.056 -11.710) 16.788 20.891 ( -2.062 -4.273 6.366) 7.939 21.375 ( -9.945 4.913 -10.107) 15.007 22.571 ( 6.295 -12.935 7.203) 16.088 22.659 ( 8.310 -3.200 2.989) 9.393 23.213 ( -4.924 -21.920 19.771) 29.927 25.387 ( 6.311 -13.147 -32.123) 35.278 26.301 ( 6.399 7.667 10.504) 14.494 26.621 ( 19.834 23.112 -0.962) 30.471 ======================= Grid point 258 (84/192) ======================= q-point: (-0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -39.426 25.488 4.145) 47.130 2.770 ( -24.924 39.761 18.857) 50.574 4.128 ( 6.480 12.283 -36.537) 39.087 4.542 ( -53.930 30.049 31.371) 69.250 4.892 ( -11.231 16.322 -22.090) 29.674 5.675 ( 6.873 12.278 26.421) 29.934 6.252 ( 0.331 4.068 17.874) 18.334 6.714 ( -11.549 -3.784 18.736) 22.332 7.316 ( -1.508 -4.125 -8.646) 9.698 7.527 ( -16.418 -7.916 -7.426) 19.682 8.097 ( -4.270 0.630 -4.789) 6.447 8.291 ( -9.322 -1.809 -11.385) 14.826 8.730 ( -10.613 -12.204 -4.936) 16.910 8.799 ( -8.734 -12.795 3.237) 15.826 9.252 ( -2.806 -12.199 17.846) 21.799 9.720 ( -8.638 -18.510 0.072) 20.427 9.808 ( -11.199 0.396 -18.856) 21.935 10.246 ( -29.313 3.696 11.967) 31.876 10.776 ( -10.198 4.985 4.366) 12.162 11.488 ( 2.994 -11.404 -2.496) 12.052 11.557 ( -21.189 6.349 4.676) 22.609 11.761 ( -12.278 -7.218 2.357) 14.436 12.094 ( -15.186 -11.060 -4.649) 19.354 12.440 ( -10.510 -11.790 2.599) 16.007 12.693 ( 0.259 7.288 -11.122) 13.299 13.023 ( 6.972 -13.119 6.997) 16.422 13.432 ( 5.351 -0.041 8.107) 9.714 13.744 ( 5.803 3.792 10.840) 12.867 14.053 ( 4.422 -0.755 -0.218) 4.491 14.539 ( 5.328 -20.812 -5.599) 22.201 14.726 ( 2.613 7.554 22.290) 23.679 14.987 ( 12.926 8.798 4.148) 16.177 15.422 ( 9.280 -2.962 4.623) 10.782 15.957 ( 25.302 16.117 -10.402) 31.751 16.272 ( 17.867 24.404 2.141) 30.322 16.410 ( 15.833 21.646 1.805) 26.879 17.239 ( 8.998 4.497 4.135) 10.876 17.712 ( 7.778 0.475 -6.883) 10.397 19.891 ( -19.201 -21.766 0.168) 29.025 20.379 ( -9.007 -10.819 -14.590) 20.274 20.801 ( -12.967 -3.754 3.039) 13.837 21.155 ( -9.165 2.053 -9.902) 13.647 22.748 ( 2.554 -12.883 8.600) 15.699 22.820 ( 3.516 -10.944 8.432) 14.256 23.227 ( -11.057 -23.781 20.059) 33.018 25.555 ( 1.997 -12.656 -32.065) 34.530 26.330 ( 3.503 9.153 9.354) 13.548 26.817 ( 21.241 29.703 -7.785) 37.337 ======================= Grid point 259 (85/192) ======================= q-point: (-0.13 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -22.209 28.059 25.256) 43.800 2.047 ( -19.349 45.308 29.437) 57.391 3.180 ( -55.765 39.514 54.697) 87.538 4.344 ( 17.725 7.729 -41.821) 46.075 4.631 ( -4.959 16.318 -37.994) 41.646 5.814 ( 10.220 0.715 25.600) 27.574 6.251 ( 0.724 1.642 30.086) 30.140 6.559 ( -7.035 -1.691 9.412) 11.872 7.014 ( -27.164 5.544 -37.374) 46.534 7.444 ( 0.218 -12.250 -0.405) 12.259 7.982 ( -3.860 9.185 -3.739) 10.641 8.099 ( -8.381 -3.067 4.828) 10.147 8.520 ( -14.707 -5.780 -14.761) 21.623 9.003 ( 6.389 -21.736 3.339) 22.900 9.454 ( 11.203 -21.619 22.870) 33.406 9.624 ( -7.492 -10.636 -1.606) 13.108 9.778 ( -3.457 -9.440 16.243) 19.103 9.894 ( -9.787 -19.619 15.210) 26.684 10.668 ( 3.535 9.292 -3.772) 10.633 10.987 ( -18.468 17.268 2.097) 25.370 11.238 ( -22.947 2.433 -11.428) 25.750 11.900 ( 3.284 -20.470 4.122) 21.138 12.067 ( -3.229 -11.771 7.195) 14.169 12.307 ( -6.976 -1.928 6.651) 9.829 12.687 ( 2.853 -0.803 -10.855) 11.252 13.308 ( 9.061 -16.171 5.673) 19.385 13.544 ( 5.852 -0.826 2.815) 6.546 13.835 ( 6.931 -2.459 19.789) 21.111 14.142 ( 2.904 -3.957 0.701) 4.957 14.737 ( 5.115 -6.673 2.916) 8.899 14.804 ( 4.731 -8.416 11.807) 15.252 15.183 ( 20.586 24.481 12.257) 34.254 15.727 ( 15.301 -24.336 9.876) 30.396 16.308 ( 8.813 18.567 0.880) 20.572 16.336 ( 33.189 34.531 3.713) 48.039 16.727 ( 29.189 17.049 -2.781) 33.918 17.377 ( 6.798 1.800 2.379) 7.423 17.835 ( 4.561 -0.277 -7.451) 8.741 19.551 ( -38.809 -24.461 -0.980) 45.885 20.249 ( -12.045 -6.850 -23.432) 27.223 20.496 ( -17.655 -0.432 3.989) 18.105 20.990 ( -10.536 -1.907 -11.773) 15.914 22.850 ( 0.714 -8.412 9.470) 12.687 22.937 ( -7.422 -32.337 28.433) 43.695 23.164 ( -10.115 -16.851 15.312) 24.915 25.644 ( -0.706 -9.354 -31.989) 33.336 26.310 ( 1.599 9.127 7.135) 11.695 26.956 ( 19.521 41.402 -23.316) 51.369 ======================= Grid point 260 (86/192) ======================= q-point: (-0.07 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 18.757 52.321) 55.582 1.489 ( 0.000 40.272 42.468) 58.526 2.193 ( 0.000 43.800 70.977) 83.403 4.481 ( 0.000 11.770 -41.586) 43.219 4.527 ( 0.000 3.910 -43.027) 43.204 5.938 ( -0.000 -1.398 23.669) 23.711 6.253 ( -0.000 -1.896 38.682) 38.728 6.490 ( 0.000 1.269 1.271) 1.796 6.651 ( 0.000 6.194 -46.928) 47.335 7.537 ( -0.000 -10.904 1.349) 10.987 7.873 ( 0.000 11.016 -4.901) 12.057 8.035 ( -0.000 -4.003 17.287) 17.745 8.390 ( -0.000 -1.278 -14.876) 14.931 9.175 ( -0.000 -15.900 -3.224) 16.223 9.654 ( 0.000 10.096 1.834) 10.261 9.683 ( -0.000 -21.495 1.429) 21.542 9.824 ( -0.000 -25.456 -1.536) 25.502 10.193 ( -0.000 -48.543 48.679) 68.747 10.658 ( 0.000 20.309 0.315) 20.311 10.683 ( 0.000 15.975 0.019) 15.975 10.947 ( -0.000 -2.918 -22.289) 22.479 12.009 ( -0.000 -13.483 -8.757) 16.078 12.125 ( -0.000 -6.009 17.765) 18.753 12.247 ( 0.000 2.025 10.403) 10.598 12.779 ( -0.000 -11.461 -17.086) 20.574 13.461 ( -0.000 -5.528 2.117) 5.920 13.630 ( -0.000 -3.559 -2.682) 4.457 14.025 ( -0.000 -19.651 19.703) 27.827 14.203 ( -0.000 -4.895 4.616) 6.729 14.836 ( -0.000 -5.557 6.465) 8.525 14.924 ( -0.000 -9.580 0.374) 9.587 15.338 ( -0.000 -2.875 20.358) 20.560 16.097 ( -0.000 -15.960 3.487) 16.337 16.222 ( 0.000 17.603 4.482) 18.165 16.970 ( 0.000 12.453 2.199) 12.646 17.181 ( -0.000 -0.382 2.332) 2.363 17.424 ( -0.000 -0.150 -3.097) 3.101 17.783 ( 0.000 3.995 -16.768) 17.238 18.844 ( -0.000 -15.765 23.831) 28.574 20.089 ( 0.000 7.532 -25.435) 26.527 20.308 ( -0.000 -0.231 6.111) 6.116 20.859 ( -0.000 -0.238 -6.225) 6.230 22.891 ( 0.000 0.157 3.058) 3.062 23.122 ( 0.000 0.105 -2.161) 2.163 23.179 ( -0.000 -77.579 68.785) 103.682 25.671 ( -0.000 -0.516 -32.974) 32.978 26.263 ( 0.000 8.727 2.979) 9.222 26.805 ( 0.000 64.274 -37.183) 74.255 ======================= Grid point 263 (87/192) ======================= q-point: ( 0.13 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 41.250 -0.000 15.861) 44.195 3.746 ( 34.256 -0.000 10.428) 35.808 4.230 ( 19.994 -0.000 -6.203) 20.934 5.134 ( 1.971 -0.000 23.959) 24.040 5.400 ( 23.200 -0.000 -32.442) 39.883 6.018 ( 24.879 -0.000 12.114) 27.672 6.247 ( 8.281 -0.000 4.201) 9.285 7.141 ( 5.825 -0.000 13.918) 15.088 7.282 ( -4.486 0.000 -14.647) 15.319 7.872 ( -1.399 0.000 1.215) 1.853 8.369 ( -2.969 0.000 -4.013) 4.992 8.460 ( 9.076 -0.000 2.095) 9.314 9.167 ( 9.304 -0.000 -9.390) 13.218 9.522 ( 12.110 -0.000 2.541) 12.373 10.004 ( 32.001 -0.000 -15.164) 35.412 10.042 ( 17.735 -0.000 7.880) 19.407 10.180 ( 8.908 -0.000 -5.911) 10.690 10.714 ( -16.344 0.000 34.427) 38.110 11.442 ( -12.053 0.000 -4.727) 12.946 11.859 ( 28.230 -0.000 -31.218) 42.089 11.916 ( 24.200 -0.000 -10.495) 26.378 12.358 ( 4.909 -0.000 6.785) 8.375 12.358 ( -13.104 0.000 -21.077) 24.818 12.712 ( 11.702 -0.000 -4.403) 12.503 13.196 ( -10.042 0.000 22.998) 25.095 13.253 ( -9.215 0.000 15.295) 17.857 13.593 ( 14.109 -0.000 2.702) 14.366 13.713 ( 17.425 -0.000 2.087) 17.550 14.140 ( -2.766 0.000 -5.059) 5.766 14.309 ( 13.517 -0.000 21.586) 25.469 14.610 ( 5.044 -0.000 1.972) 5.416 14.872 ( -3.887 0.000 -2.437) 4.588 14.929 ( -9.586 0.000 11.494) 14.967 15.344 ( 12.026 -0.000 -5.473) 13.213 15.512 ( 18.111 -0.000 -5.991) 19.076 16.353 ( 13.714 -0.000 -8.815) 16.302 16.823 ( -5.728 0.000 8.834) 10.528 17.419 ( -5.539 0.000 -7.038) 8.956 20.471 ( -3.705 0.000 -0.151) 3.708 20.605 ( -2.478 0.000 -4.559) 5.188 20.974 ( -5.287 0.000 5.317) 7.498 21.407 ( 7.301 -0.000 -5.675) 9.247 22.480 ( -10.810 0.000 0.568) 10.824 22.511 ( -13.144 0.000 0.121) 13.145 24.609 ( -3.615 0.000 3.845) 5.278 24.739 ( -26.638 0.000 1.821) 26.700 25.893 ( -0.901 0.000 -2.865) 3.003 25.905 ( -10.768 0.000 -2.179) 10.987 ======================= Grid point 264 (88/192) ======================= q-point: ( 0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.179 ( 38.349 -0.178 13.276) 40.582 4.269 ( 21.691 -1.313 14.360) 26.047 4.610 ( 19.243 -2.761 5.328) 20.157 5.330 ( 20.149 6.017 9.864) 23.227 5.837 ( 21.407 -3.554 -22.904) 31.552 6.172 ( -0.319 -5.111 -1.376) 5.303 6.527 ( 11.688 -4.928 0.959) 12.721 7.184 ( 0.331 1.197 2.233) 2.555 7.267 ( -0.600 -11.244 -7.997) 13.811 7.792 ( -6.296 1.064 -1.977) 6.685 8.377 ( 5.800 2.239 1.697) 6.445 8.536 ( -0.671 1.493 -1.426) 2.170 9.362 ( 12.291 -1.127 2.174) 12.532 9.815 ( 16.699 0.960 4.031) 17.206 10.193 ( -4.867 1.715 -8.519) 9.960 10.425 ( 3.877 3.822 11.081) 12.347 10.505 ( 15.058 -1.220 -7.195) 16.734 10.636 ( 31.757 -0.254 13.370) 34.458 11.020 ( -23.581 2.928 1.457) 23.807 12.035 ( -9.259 4.389 -25.841) 27.799 12.230 ( 2.213 0.472 -9.333) 9.603 12.396 ( 1.645 -2.046 9.322) 9.684 12.566 ( 32.861 1.533 -18.327) 37.658 12.795 ( -1.959 3.903 -3.885) 5.845 12.930 ( -15.940 4.156 14.853) 22.180 13.076 ( -7.190 -9.036 12.696) 17.162 13.550 ( -8.887 9.377 -0.108) 12.920 13.891 ( 0.824 10.399 -4.401) 11.322 14.332 ( 14.724 1.411 0.196) 14.792 14.459 ( 9.906 4.611 9.607) 14.549 14.705 ( -8.363 -7.803 7.210) 13.521 14.842 ( 1.553 -10.510 1.695) 10.759 15.050 ( 24.000 -15.515 6.449) 29.297 15.717 ( 30.925 12.234 2.178) 33.328 16.098 ( 32.233 -12.753 -6.409) 35.252 16.664 ( 19.396 8.507 -5.061) 21.776 16.784 ( 2.708 -5.546 5.520) 8.281 17.348 ( -2.300 -0.621 -5.962) 6.421 20.315 ( -11.257 3.190 0.735) 11.723 20.519 ( -5.948 0.907 -6.122) 8.584 20.877 ( -4.781 0.500 8.737) 9.972 21.483 ( 0.639 -0.588 -7.735) 7.784 22.274 ( -10.956 1.414 1.093) 11.101 22.287 ( -10.265 -0.538 1.142) 10.342 24.062 ( -22.951 30.250 5.974) 38.439 24.624 ( -14.631 -23.641 -6.841) 28.632 25.698 ( -10.751 -0.450 2.727) 11.100 25.896 ( -0.640 -3.756 -1.891) 4.254 ======================= Grid point 265 (89/192) ======================= q-point: ( 0.27 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 10.836 -0.559 14.815) 18.363 4.797 ( 29.711 7.899 11.827) 32.940 5.017 ( 22.921 -4.667 1.836) 23.464 5.667 ( 20.441 12.848 2.562) 24.279 6.160 ( 9.817 4.469 -17.351) 20.430 6.202 ( 1.222 -7.264 -7.959) 10.845 6.734 ( 4.916 -15.731 6.281) 17.637 7.200 ( 0.881 -3.363 0.532) 3.517 7.415 ( 3.148 -24.416 -8.517) 26.049 7.663 ( -6.516 -1.328 -3.321) 7.433 8.433 ( -7.195 1.478 4.129) 8.426 8.583 ( 17.058 0.591 4.523) 17.658 9.608 ( 13.199 2.324 14.381) 19.658 9.996 ( -11.881 1.411 -5.215) 13.051 10.000 ( 3.691 -0.205 5.383) 6.530 10.490 ( -24.180 3.543 8.752) 25.958 10.601 ( 10.003 8.477 -7.424) 15.068 10.708 ( 11.301 -1.115 -2.349) 11.596 11.230 ( 17.861 -0.224 -6.200) 18.907 11.918 ( -2.900 1.895 -23.530) 23.784 12.130 ( 0.014 7.072 1.064) 7.151 12.344 ( -10.337 5.626 2.086) 11.952 12.578 ( -13.067 -2.512 2.228) 13.491 12.731 ( 5.956 0.552 16.997) 18.019 13.031 ( 2.087 -6.393 -1.858) 6.977 13.144 ( 7.897 5.280 -3.923) 10.278 13.282 ( -6.674 10.244 -0.631) 12.243 13.713 ( -3.344 16.748 -3.986) 17.538 14.314 ( -9.313 -3.837 -6.358) 11.911 14.765 ( 5.475 -7.571 15.269) 17.901 14.800 ( 17.881 -4.660 2.076) 18.594 14.976 ( 6.147 -9.569 -7.129) 13.423 15.620 ( 19.099 -19.608 8.494) 28.660 16.199 ( 29.379 16.165 5.965) 34.059 16.675 ( 13.225 -5.704 -0.510) 14.412 16.846 ( 15.949 -8.969 5.140) 19.006 17.117 ( 22.859 5.692 -10.871) 25.944 17.348 ( 2.739 0.678 -4.047) 4.933 20.045 ( -14.413 3.070 2.355) 14.923 20.394 ( -6.218 1.144 -8.468) 10.567 20.797 ( -3.490 -0.079 10.431) 11.000 21.446 ( -4.209 0.198 -8.874) 9.824 22.079 ( -8.184 2.843 3.277) 9.263 22.148 ( -5.180 -1.606 1.405) 5.602 23.440 ( -24.105 20.066 7.812) 32.322 24.488 ( -12.132 -10.843 -19.417) 25.334 25.534 ( -7.654 -2.747 11.315) 13.934 25.927 ( 1.277 -3.514 -1.564) 4.053 ======================= Grid point 266 (90/192) ======================= q-point: ( 0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 3.522 0.766 13.661) 14.128 5.143 ( 17.799 18.046 9.996) 27.247 5.474 ( 22.150 -0.321 -2.931) 22.345 5.865 ( 10.406 10.238 0.154) 14.598 6.193 ( -1.037 -2.614 -13.778) 14.062 6.272 ( 4.485 10.565 -12.904) 17.270 6.930 ( 1.541 -20.918 10.436) 23.428 7.268 ( 1.843 -6.563 1.873) 7.070 7.564 ( -3.522 -9.111 -3.382) 10.337 7.750 ( 6.885 -30.423 -5.385) 31.654 8.278 ( -8.069 -1.091 12.117) 14.599 8.990 ( 22.960 -1.273 -1.497) 23.044 9.761 ( -1.884 1.581 3.393) 4.190 9.792 ( 1.241 0.788 7.288) 7.435 9.911 ( -28.611 1.382 7.802) 29.688 10.128 ( 5.702 3.436 8.572) 10.854 10.482 ( -7.647 12.172 1.139) 14.420 11.070 ( -4.883 -2.100 -15.911) 16.775 11.249 ( 14.072 -1.219 -9.235) 16.875 11.674 ( -24.479 0.424 -6.709) 25.385 12.045 ( -3.757 2.925 -10.710) 11.720 12.398 ( 13.330 7.922 -11.518) 19.316 12.499 ( 2.282 -3.997 8.475) 9.644 12.833 ( -15.553 21.668 0.535) 26.677 12.951 ( -6.963 1.505 3.995) 8.167 13.022 ( 21.401 3.038 20.143) 29.546 13.252 ( -2.420 6.226 1.189) 6.785 13.740 ( 11.145 2.891 -7.775) 13.893 14.141 ( -14.245 -9.585 -6.731) 18.442 14.895 ( 2.240 -5.104 13.507) 14.612 15.085 ( 7.672 -6.801 -1.032) 10.305 15.181 ( 9.813 -3.726 -11.924) 15.886 15.960 ( 0.868 -22.844 8.489) 24.386 16.491 ( 13.456 16.953 7.718) 22.979 16.803 ( 4.167 -1.442 9.004) 10.026 17.239 ( 10.713 -10.101 -5.721) 15.797 17.346 ( 4.337 -3.072 -6.081) 8.076 17.506 ( 17.095 13.706 -5.882) 22.687 19.779 ( -12.154 0.299 4.172) 12.853 20.290 ( -4.153 0.523 -10.703) 11.493 20.757 ( -0.978 -0.623 10.930) 10.991 21.359 ( -3.699 0.837 -8.936) 9.708 21.932 ( -5.711 2.539 5.946) 8.627 22.122 ( 0.772 -1.590 0.461) 1.827 22.926 ( -18.059 11.058 9.519) 23.217 24.371 ( -5.206 -3.747 -29.767) 30.450 25.474 ( -0.707 -3.306 18.340) 18.649 25.996 ( 4.186 -1.772 -1.441) 4.768 ======================= Grid point 267 (91/192) ======================= q-point: ( 0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( -0.845 2.613 13.599) 13.874 5.211 ( 6.623 23.867 10.094) 26.747 5.757 ( 9.353 8.721 -5.004) 13.732 5.920 ( 2.338 7.038 -0.106) 7.417 6.150 ( -4.816 5.449 -12.978) 14.876 6.276 ( 5.635 4.367 -11.642) 13.651 7.101 ( 2.400 -16.298 6.659) 17.768 7.322 ( -1.098 -6.059 5.887) 8.519 7.602 ( -0.801 -11.799 0.695) 11.847 8.103 ( 4.924 -23.799 0.690) 24.313 8.187 ( -3.641 -12.459 8.519) 15.526 9.162 ( -7.852 3.083 -11.392) 14.175 9.398 ( -22.550 -6.147 2.107) 23.468 9.744 ( -8.652 -1.186 -6.764) 11.046 9.951 ( 20.396 1.755 13.887) 24.737 10.162 ( -12.855 9.149 10.335) 18.862 10.284 ( 13.831 8.910 8.968) 18.738 10.847 ( -15.545 -7.477 -12.727) 21.437 11.215 ( -19.317 -5.326 2.211) 20.159 11.650 ( 17.303 -1.102 -8.145) 19.156 12.044 ( 5.396 2.661 -17.067) 18.097 12.263 ( -26.254 15.985 2.101) 30.809 12.476 ( 1.427 6.970 -4.286) 8.306 12.616 ( 0.321 1.830 6.892) 7.138 12.790 ( -0.559 5.044 -5.245) 7.298 13.101 ( -4.562 5.983 3.564) 8.325 13.531 ( 26.098 5.727 17.679) 32.038 13.843 ( -6.748 2.258 -7.590) 10.404 14.016 ( 1.467 -9.979 -8.031) 12.893 14.888 ( -6.913 -3.981 11.242) 13.785 15.164 ( -3.731 -8.395 6.563) 11.290 15.357 ( 5.691 0.710 -20.841) 21.615 15.999 ( -12.881 -22.539 9.759) 27.734 16.454 ( -3.194 15.187 8.767) 17.824 16.873 ( 2.310 -0.247 9.001) 9.296 17.337 ( -2.324 -3.338 -7.628) 8.645 17.421 ( -1.447 -3.068 -2.236) 4.063 17.600 ( 3.559 17.198 -7.179) 18.973 19.609 ( -7.599 -4.366 5.350) 10.268 20.234 ( -2.270 -1.029 -12.299) 12.549 20.768 ( 1.415 -0.633 11.634) 11.737 21.334 ( 1.986 0.314 -8.664) 8.894 21.842 ( -2.363 0.321 7.489) 7.859 22.173 ( 3.532 0.374 -2.679) 4.448 22.664 ( -4.338 2.949 12.526) 13.580 24.367 ( 2.565 -2.196 -33.999) 34.166 25.560 ( 7.917 -1.778 20.451) 22.002 26.106 ( 7.429 0.992 -1.114) 7.577 ======================= Grid point 268 (92/192) ======================= q-point: (-0.53 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -3.342 5.692 14.118) 15.585 5.081 ( -1.817 23.978 10.247) 26.139 5.676 ( -5.403 18.472 -3.416) 19.547 5.863 ( -1.770 14.420 2.777) 14.791 5.973 ( -9.422 0.960 -19.317) 21.514 6.395 ( 6.548 0.061 -5.692) 8.676 7.208 ( -0.997 -7.668 4.193) 8.796 7.321 ( -3.925 -5.800 12.030) 13.920 7.670 ( -0.382 -9.862 2.006) 10.072 8.109 ( -5.921 -7.853 10.705) 14.537 8.398 ( 0.573 -22.883 -6.534) 23.804 8.802 ( -22.137 7.520 -4.790) 23.864 9.212 ( -5.888 -6.459 -1.250) 8.829 9.599 ( -9.794 -12.695 -5.311) 16.890 9.810 ( -12.459 0.009 1.243) 12.521 10.132 ( -6.603 9.839 -9.768) 15.356 10.589 ( -6.352 -1.342 4.870) 8.115 10.647 ( 21.321 0.797 6.453) 22.290 11.201 ( 6.307 -9.128 7.459) 13.369 11.521 ( -36.329 13.262 9.938) 39.930 11.885 ( 4.040 -6.064 -4.572) 8.602 12.113 ( 4.127 7.346 -9.385) 12.613 12.529 ( 5.454 0.848 -8.678) 10.285 12.583 ( 2.206 -1.224 -3.169) 4.051 12.824 ( 0.826 0.240 -0.896) 1.242 12.926 ( -10.093 4.325 -1.179) 11.043 13.586 ( -13.386 1.029 -5.663) 14.571 13.873 ( 14.463 11.231 13.665) 22.848 14.193 ( 7.583 -5.078 -8.186) 12.260 14.699 ( -16.094 -5.197 9.457) 19.377 15.124 ( -4.093 -1.183 6.879) 8.091 15.289 ( -15.400 -6.596 -17.392) 24.148 15.819 ( -19.647 -9.365 15.972) 26.997 16.305 ( 1.545 10.722 3.640) 11.428 16.881 ( -1.114 2.576 7.169) 7.699 17.144 ( -19.969 -1.083 -4.523) 20.503 17.386 ( -4.132 16.730 -2.834) 17.464 17.434 ( -2.807 4.163 -8.194) 9.610 19.558 ( -3.968 -10.460 5.400) 12.422 20.217 ( -1.467 -3.785 -13.292) 13.898 20.806 ( 1.967 -0.254 12.976) 13.127 21.422 ( 6.624 -0.675 -9.152) 11.318 21.861 ( 3.754 -2.797 7.779) 9.079 22.241 ( 4.982 1.737 -5.170) 7.387 22.686 ( 5.148 -1.560 15.376) 16.290 24.492 ( 7.822 -5.203 -33.603) 34.892 25.774 ( 14.139 0.921 18.597) 23.379 26.252 ( 10.221 4.167 -0.481) 11.049 ======================= Grid point 269 (93/192) ======================= q-point: (-0.47 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( -6.473 9.833 12.990) 17.531 4.801 ( -9.866 25.103 7.971) 28.125 5.364 ( -11.698 22.571 -5.053) 25.920 5.643 ( -7.566 17.584 -3.032) 19.381 5.817 ( -7.628 0.641 -11.957) 14.198 6.482 ( 2.360 -0.991 -1.405) 2.920 7.185 ( -5.446 -3.453 7.871) 10.175 7.233 ( -7.930 -1.818 19.898) 21.497 7.742 ( 1.842 -6.390 -0.701) 6.687 8.038 ( -9.654 -13.772 1.674) 16.902 8.273 ( -24.759 11.846 -0.159) 27.447 8.494 ( -2.914 -5.738 -5.702) 8.598 9.202 ( -2.070 -7.459 -6.725) 10.254 9.459 ( -25.932 -0.268 -3.585) 26.180 9.596 ( -6.098 -19.970 -4.125) 21.284 10.066 ( 4.357 1.940 -9.782) 10.882 10.359 ( -23.696 -0.434 8.769) 25.270 10.855 ( -14.685 3.828 8.663) 17.475 10.917 ( 6.889 5.859 3.244) 9.608 11.432 ( 4.161 -11.767 7.343) 14.481 11.943 ( -2.526 2.057 -6.928) 7.656 12.218 ( 8.909 -7.922 -1.122) 11.974 12.497 ( -17.506 -2.106 -13.725) 22.344 12.546 ( -8.187 -3.687 -5.677) 10.623 12.777 ( 2.122 0.469 1.745) 2.787 12.918 ( 10.941 -3.821 -7.711) 13.920 13.400 ( -2.845 6.096 5.388) 8.619 13.903 ( -3.524 11.031 12.205) 16.824 14.255 ( -9.786 -4.324 -9.198) 14.109 14.473 ( -7.669 -5.297 10.192) 13.811 14.857 ( -18.746 8.110 -1.137) 20.457 15.098 ( -17.618 -20.315 -8.702) 28.264 15.501 ( -9.939 6.411 23.976) 26.735 16.355 ( 9.634 11.273 -3.341) 15.201 16.649 ( -23.685 4.577 -4.250) 24.494 16.797 ( -7.213 16.554 2.925) 18.293 17.160 ( -0.880 12.946 -0.973) 13.012 17.452 ( 2.734 1.130 -5.538) 6.279 19.596 ( -2.939 -16.725 4.499) 17.567 20.229 ( -1.766 -7.458 -13.957) 15.923 20.837 ( 1.116 -0.358 13.687) 13.737 21.544 ( 4.591 -0.956 -11.068) 12.020 22.006 ( 7.833 -5.750 8.586) 12.967 22.338 ( 6.779 1.670 -3.771) 7.935 22.817 ( 6.145 -3.885 16.347) 17.891 24.711 ( 9.546 -9.609 -32.644) 35.342 26.040 ( 15.377 3.244 15.782) 22.272 26.423 ( 12.781 7.326 0.128) 14.732 ======================= Grid point 270 (94/192) ======================= q-point: (-0.40 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.230 ( -14.686 15.370 8.132) 22.761 4.366 ( -14.930 29.143 5.258) 33.164 4.936 ( -16.035 23.754 -13.501) 31.681 5.388 ( -7.413 13.228 -8.063) 17.173 5.694 ( -3.024 4.751 2.345) 6.100 6.497 ( -1.140 0.072 1.661) 2.016 6.992 ( -12.402 9.962 19.717) 25.334 7.123 ( -8.878 -3.462 16.278) 18.862 7.669 ( -15.168 6.657 0.080) 16.565 7.917 ( -1.656 -8.593 -1.789) 8.932 8.003 ( -7.523 -14.922 -1.608) 16.788 8.279 ( -17.303 23.560 -4.672) 29.603 8.971 ( -28.564 -17.016 2.737) 33.361 9.109 ( -17.704 -7.525 0.562) 19.245 9.557 ( -6.738 -8.780 -0.242) 11.070 9.875 ( -6.367 0.791 -10.493) 12.299 10.314 ( -5.369 -5.100 -10.852) 13.138 10.685 ( -4.373 -14.254 2.845) 15.179 10.960 ( 3.870 4.337 6.471) 8.699 11.506 ( -12.444 -14.460 -2.860) 19.290 11.695 ( -20.844 2.898 -5.192) 21.676 11.981 ( -22.947 -6.191 2.584) 23.908 12.463 ( 2.253 -6.886 -6.733) 9.891 12.620 ( 14.203 -2.420 -10.968) 18.107 12.869 ( 3.264 1.764 -1.775) 4.113 13.170 ( 6.365 -1.608 -1.194) 6.672 13.368 ( 3.933 1.997 3.867) 5.866 13.587 ( -22.891 1.661 13.939) 26.852 13.966 ( -16.838 1.011 -0.992) 16.897 14.314 ( -7.753 4.520 12.021) 15.002 14.682 ( -5.362 -10.867 -1.919) 12.269 14.811 ( -22.437 -20.996 1.622) 30.772 15.449 ( 9.996 17.732 10.095) 22.721 16.203 ( -13.760 11.242 -5.640) 18.642 16.437 ( 8.699 20.632 -2.079) 22.487 16.610 ( 5.931 23.019 1.160) 23.799 17.150 ( 5.285 7.183 2.533) 9.270 17.508 ( 4.320 1.262 -5.587) 7.174 19.661 ( -5.333 -21.320 3.142) 22.201 20.249 ( -3.510 -11.205 -14.708) 18.820 20.852 ( -0.147 -1.270 12.706) 12.770 21.567 ( -2.821 0.501 -13.046) 13.357 22.196 ( 5.947 -9.207 12.360) 16.520 22.467 ( 7.588 -0.710 0.137) 7.622 22.952 ( 4.739 -4.952 14.571) 16.102 24.960 ( 8.092 -13.102 -32.871) 36.299 26.268 ( 11.835 4.876 13.823) 18.840 26.626 ( 15.985 10.019 -0.075) 18.866 ======================= Grid point 271 (95/192) ======================= q-point: (-0.33 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -30.080 26.301 -0.736) 39.964 3.899 ( -15.225 30.347 11.570) 35.870 4.511 ( -9.418 21.971 -25.502) 34.954 5.185 ( -6.349 9.203 -17.386) 20.671 5.615 ( -2.500 10.089 19.290) 21.912 6.425 ( -5.622 7.418 8.476) 12.588 6.524 ( -23.253 28.626 19.264) 41.609 6.903 ( -14.831 -0.113 21.984) 26.519 7.414 ( -14.083 -2.157 -2.483) 14.462 7.634 ( -16.416 12.002 4.624) 20.855 7.995 ( -5.991 -15.762 -4.105) 17.355 8.092 ( 6.056 -9.330 -2.424) 11.384 8.675 ( -16.883 -16.931 -2.488) 24.039 8.922 ( -12.838 -15.145 8.790) 21.713 9.319 ( -21.464 2.463 -2.159) 21.712 9.799 ( -8.138 -0.282 -20.624) 22.174 10.041 ( -17.981 -2.876 -13.832) 22.868 10.838 ( -6.203 -21.352 -1.508) 22.286 10.973 ( -29.327 -9.530 6.596) 31.534 11.089 ( -0.772 5.152 2.431) 5.749 11.321 ( -9.974 -8.585 -1.931) 13.301 11.978 ( 4.341 -15.898 7.506) 18.109 12.514 ( -18.696 7.528 -0.179) 20.155 12.655 ( -8.764 4.509 -10.409) 14.335 12.782 ( -1.755 5.517 -11.412) 12.797 12.913 ( -17.781 1.216 5.059) 18.526 13.339 ( -0.166 -4.534 12.046) 12.872 13.582 ( 10.932 -5.690 -1.141) 12.377 13.898 ( 6.737 -3.835 4.557) 8.993 14.223 ( -2.454 -0.845 4.742) 5.406 14.571 ( -11.613 -28.625 5.633) 31.400 14.764 ( -1.444 -6.667 7.755) 10.328 15.529 ( 13.119 21.635 2.489) 25.424 16.048 ( 9.819 20.882 -9.487) 24.949 16.461 ( 14.567 24.667 5.251) 29.124 16.653 ( 12.679 22.016 0.129) 25.407 17.214 ( 6.321 5.817 2.943) 9.081 17.596 ( 6.008 0.769 -5.900) 8.455 19.677 ( -10.632 -23.192 1.815) 25.578 20.247 ( -6.763 -13.915 -16.088) 22.321 20.843 ( -2.680 -2.547 9.598) 10.285 21.430 ( -10.561 2.352 -12.872) 16.815 22.334 ( -1.054 -16.272 21.409) 26.912 22.625 ( 7.951 -2.288 2.027) 8.519 23.054 ( 2.652 -3.848 10.341) 11.348 25.183 ( 4.913 -15.077 -33.959) 37.479 26.402 ( 7.312 6.570 13.226) 16.479 26.866 ( 18.032 11.764 -2.342) 21.657 ======================= Grid point 272 (96/192) ======================= q-point: (-0.27 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -34.491 30.980 0.659) 46.366 3.324 ( -20.341 37.313 18.873) 46.500 4.337 ( 5.063 16.668 -35.813) 39.825 4.928 ( -21.592 19.811 -12.577) 31.888 5.227 ( -19.417 31.389 22.738) 43.352 5.920 ( -5.996 23.105 20.686) 31.587 6.327 ( -1.341 6.656 12.130) 13.901 6.660 ( -11.424 -3.417 19.355) 22.733 7.243 ( -4.584 -6.245 -1.678) 7.927 7.433 ( -12.633 -4.415 -1.753) 13.497 8.016 ( -2.833 -12.982 -5.318) 14.312 8.255 ( -0.023 -3.318 -8.752) 9.360 8.549 ( -9.670 -13.625 -4.822) 17.389 8.647 ( -18.455 -8.029 -5.503) 20.865 9.082 ( -5.802 -10.964 27.874) 30.509 9.488 ( -22.865 -12.418 -10.612) 28.100 9.784 ( -15.992 -3.512 -21.963) 27.394 10.311 ( -27.780 4.728 13.287) 31.155 10.775 ( -10.677 -9.170 0.854) 14.100 11.243 ( 6.954 -15.522 -9.811) 19.635 11.484 ( 5.724 -12.644 10.186) 17.216 11.848 ( -29.225 13.794 5.711) 32.818 12.028 ( -21.932 -0.557 -0.586) 21.947 12.275 ( -7.513 -9.788 6.149) 13.786 12.796 ( 2.752 4.320 -9.596) 10.877 12.905 ( 5.416 -0.767 -2.018) 5.831 13.417 ( 4.153 -2.374 8.776) 9.995 13.774 ( 7.061 0.079 4.397) 8.318 14.046 ( 3.577 -1.327 -5.008) 6.296 14.261 ( 2.398 -16.979 -6.064) 18.189 14.755 ( 5.004 -32.914 9.751) 34.691 14.794 ( 3.801 2.472 21.267) 21.745 15.604 ( 11.875 23.653 1.398) 26.504 16.240 ( 25.544 20.410 -12.356) 34.953 16.630 ( 19.584 24.946 5.286) 32.152 16.736 ( 15.669 23.019 2.362) 27.946 17.301 ( 7.047 3.975 3.855) 8.962 17.716 ( 6.963 -0.059 -6.051) 9.224 19.581 ( -17.422 -21.376 0.554) 27.582 20.187 ( -10.931 -15.165 -19.281) 26.856 20.755 ( -10.297 -2.622 5.418) 11.928 21.181 ( -13.290 1.371 -11.588) 17.686 22.390 ( -8.415 -24.256 34.873) 43.305 22.774 ( 6.250 -1.530 2.598) 6.939 23.103 ( 0.825 -1.481 4.898) 5.184 25.352 ( 1.725 -15.461 -35.202) 38.487 26.452 ( 3.935 8.107 13.351) 16.107 27.115 ( 18.122 13.056 -7.983) 23.719 ======================= Grid point 273 (97/192) ======================= q-point: (-0.20 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -19.381 34.425 17.834) 43.344 2.643 ( -23.256 38.511 30.334) 54.260 3.901 ( -34.502 57.419 28.953) 72.976 4.491 ( 13.984 13.173 -36.588) 41.325 4.913 ( -2.978 22.952 -27.888) 36.241 5.846 ( 4.529 4.360 21.206) 22.118 6.279 ( -2.093 2.541 26.585) 26.788 6.534 ( -3.965 -1.608 7.004) 8.208 7.084 ( -23.302 2.152 -24.601) 33.953 7.291 ( 2.159 -7.826 3.130) 8.701 8.045 ( -9.085 -5.998 -2.836) 11.250 8.069 ( -1.867 2.830 -4.314) 5.486 8.407 ( -14.339 -8.454 -17.453) 24.118 8.723 ( 8.293 -16.657 10.401) 21.317 9.138 ( 0.221 -21.672 20.829) 30.060 9.365 ( -7.126 -29.549 20.626) 36.733 9.478 ( -18.600 -9.905 -2.816) 21.260 9.928 ( -10.154 6.996 5.686) 13.578 10.738 ( 2.205 -2.591 -7.882) 8.585 11.227 ( -14.656 14.137 -0.730) 20.376 11.296 ( -20.413 6.138 -5.907) 22.119 11.557 ( -2.313 -21.094 -2.008) 21.315 11.887 ( 2.026 -14.462 16.253) 21.850 12.280 ( -1.473 -2.127 9.250) 9.606 12.757 ( 0.144 8.788 -7.815) 11.761 13.089 ( 7.544 -12.327 3.040) 14.769 13.518 ( 4.031 -3.485 3.878) 6.591 13.846 ( 2.681 2.336 6.668) 7.556 14.097 ( 1.905 -2.411 -4.520) 5.466 14.485 ( 4.390 -20.695 -9.821) 23.324 14.825 ( 2.586 3.016 20.968) 21.342 15.185 ( 12.955 -34.973 18.487) 41.626 15.625 ( 8.708 24.374 3.650) 26.139 16.572 ( 14.879 18.000 -4.387) 23.762 16.768 ( 25.941 24.474 3.591) 35.844 16.992 ( 24.486 18.460 -2.296) 30.751 17.408 ( 5.574 2.662 3.713) 7.207 17.831 ( 4.388 -0.411 -6.206) 7.612 19.299 ( -27.562 -11.510 -0.319) 29.870 20.075 ( -11.937 -15.816 -26.592) 33.163 20.490 ( -16.824 -0.418 3.955) 17.288 20.964 ( -10.330 -1.595 -9.958) 14.436 22.379 ( -11.599 -27.641 52.000) 60.021 22.868 ( 3.070 -0.278 2.999) 4.301 23.118 ( 0.577 0.049 -0.179) 0.607 25.471 ( -0.120 -14.226 -35.985) 38.695 26.440 ( 1.535 9.052 12.973) 15.893 27.334 ( 15.123 14.365 -18.936) 28.171 ======================= Grid point 274 (98/192) ======================= q-point: (-0.13 0.13 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 28.894 41.231) 50.348 2.049 ( 0.000 38.677 40.585) 56.062 3.056 ( 0.000 71.251 38.468) 80.972 4.610 ( 0.000 7.761 -40.984) 41.712 4.718 ( 0.000 20.880 -34.799) 40.583 5.914 ( -0.000 -1.623 20.816) 20.879 6.229 ( -0.000 -0.982 33.296) 33.311 6.510 ( 0.000 1.306 -0.186) 1.320 6.763 ( 0.000 8.644 -37.704) 38.682 7.390 ( -0.000 -9.554 6.074) 11.321 7.963 ( -0.000 -5.501 11.703) 12.932 8.024 ( 0.000 9.981 -6.749) 12.049 8.326 ( -0.000 -9.199 -20.562) 22.526 8.949 ( -0.000 -14.586 11.694) 18.695 9.322 ( -0.000 -28.024 1.385) 28.058 9.430 ( -0.000 -29.177 -1.000) 29.194 9.553 ( -0.000 -33.645 57.945) 67.005 9.786 ( 0.000 8.018 1.560) 8.169 10.881 ( -0.000 -7.741 -19.669) 21.138 10.923 ( 0.000 17.140 0.329) 17.143 10.948 ( 0.000 19.451 -0.190) 19.451 11.708 ( -0.000 -25.293 -4.553) 25.700 12.012 ( -0.000 -11.091 15.666) 19.195 12.267 ( 0.000 1.116 11.549) 11.603 12.714 ( 0.000 3.355 -6.684) 7.479 13.281 ( -0.000 -16.855 4.040) 17.332 13.586 ( -0.000 -3.074 1.190) 3.296 13.872 ( -0.000 -2.224 12.065) 12.268 14.141 ( -0.000 -3.704 -1.153) 3.879 14.671 ( -0.000 -19.057 -10.269) 21.648 14.836 ( 0.000 1.420 21.125) 21.173 15.552 ( 0.000 23.937 10.250) 26.039 15.623 ( -0.000 -42.124 16.296) 45.167 16.522 ( 0.000 21.215 2.392) 21.349 17.173 ( -0.000 -0.701 2.380) 2.481 17.192 ( 0.000 17.324 1.346) 17.376 17.421 ( -0.000 -0.277 -3.155) 3.167 17.844 ( 0.000 3.252 -10.806) 11.285 18.837 ( 0.000 10.541 6.434) 12.349 20.043 ( -0.000 -12.008 -32.332) 34.490 20.304 ( -0.000 -0.420 6.120) 6.134 20.854 ( -0.000 -0.433 -6.213) 6.228 22.449 ( -0.000 -32.291 64.694) 72.305 22.894 ( 0.000 0.285 3.040) 3.054 23.124 ( 0.000 0.191 -2.153) 2.162 25.560 ( -0.000 -11.828 -35.284) 37.214 26.388 ( 0.000 9.137 11.089) 14.368 27.383 ( 0.000 20.936 -32.487) 38.648 ======================= Grid point 279 (99/192) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( 11.494 -0.000 14.535) 18.531 4.859 ( 32.427 -0.000 11.524) 34.414 4.984 ( 24.955 -0.000 1.252) 24.987 5.805 ( 24.170 -0.000 5.411) 24.769 6.102 ( -1.646 0.000 -4.458) 4.752 6.205 ( 16.117 -0.000 -16.733) 23.233 6.618 ( 0.731 -0.000 2.904) 2.995 7.188 ( -0.669 0.000 0.602) 0.900 7.210 ( 1.487 -0.000 -12.441) 12.529 7.655 ( -8.036 0.000 -3.408) 8.729 8.444 ( -8.533 0.000 4.311) 9.560 8.587 ( 16.552 -0.000 4.607) 17.181 9.624 ( 13.859 -0.000 15.189) 20.562 9.993 ( 5.081 -0.000 9.931) 11.155 10.009 ( -13.351 0.000 -9.385) 16.320 10.518 ( -27.174 0.000 9.383) 28.748 10.674 ( 26.104 -0.000 -5.462) 26.670 10.688 ( -1.679 0.000 -5.565) 5.813 11.227 ( 16.510 -0.000 -6.545) 17.760 11.936 ( -3.760 0.000 -27.714) 27.968 12.176 ( 0.390 -0.000 4.751) 4.767 12.384 ( -9.109 0.000 6.914) 11.435 12.568 ( -14.662 0.000 -1.893) 14.784 12.742 ( 1.325 -0.000 19.257) 19.302 12.956 ( 3.542 -0.000 -1.013) 3.684 13.174 ( 19.876 -0.000 -6.063) 20.780 13.395 ( -11.362 0.000 -0.138) 11.363 13.860 ( -6.508 0.000 -3.058) 7.190 14.290 ( -16.516 0.000 -4.472) 17.110 14.649 ( 9.906 -0.000 -2.096) 10.126 14.779 ( 16.746 -0.000 5.455) 17.612 14.919 ( 9.439 -0.000 1.253) 9.522 15.472 ( 21.330 -0.000 12.145) 24.545 16.363 ( 29.688 -0.000 3.625) 29.908 16.586 ( 23.537 -0.000 -7.143) 24.597 16.782 ( 5.288 -0.000 12.940) 13.979 17.154 ( 20.852 -0.000 -11.822) 23.970 17.357 ( 6.093 -0.000 -3.513) 7.033 20.066 ( -15.677 0.000 2.259) 15.839 20.402 ( -6.508 0.000 -8.177) 10.450 20.797 ( -3.750 0.000 10.279) 10.942 21.448 ( -3.825 0.000 -8.944) 9.728 22.105 ( -8.316 0.000 3.797) 9.142 22.132 ( -5.305 0.000 1.453) 5.500 23.611 ( -31.710 0.000 5.167) 32.129 24.382 ( -5.934 0.000 -14.862) 16.003 25.515 ( -7.788 0.000 9.337) 12.158 25.901 ( 2.320 -0.000 -2.088) 3.121 ======================= Grid point 280 (100/192) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( 4.284 0.342 13.867) 14.517 5.330 ( 23.022 5.564 3.511) 23.944 5.512 ( 28.034 5.011 -1.676) 28.528 6.023 ( 3.477 8.894 -2.122) 9.782 6.159 ( 7.224 -0.089 -4.514) 8.518 6.428 ( 8.463 7.991 -7.102) 13.635 6.630 ( -2.656 -16.708 7.762) 18.613 7.200 ( 1.622 -1.901 -2.840) 3.783 7.325 ( 3.013 -17.266 -9.878) 20.119 7.537 ( -4.321 -3.295 -2.477) 5.972 8.268 ( -9.389 -0.357 13.229) 16.226 8.978 ( 23.070 -0.393 -0.326) 23.075 9.779 ( -7.557 0.830 2.957) 8.157 9.798 ( 3.144 0.033 6.879) 7.564 9.928 ( -31.965 0.727 7.383) 32.815 10.157 ( 11.658 0.886 10.819) 15.930 10.623 ( -3.601 6.240 -1.081) 7.286 11.021 ( -21.185 -3.161 -14.006) 25.592 11.245 ( 23.518 0.154 -9.918) 25.525 11.674 ( -25.385 -0.158 -10.183) 27.352 12.081 ( -9.315 1.671 -6.441) 11.448 12.455 ( 12.106 0.570 3.466) 12.605 12.464 ( 1.730 -0.445 -3.537) 3.962 12.952 ( -1.859 0.187 -3.032) 3.561 13.022 ( 21.696 0.522 23.120) 31.710 13.121 ( -8.881 11.531 2.667) 14.796 13.368 ( -1.224 6.284 -0.433) 6.416 13.792 ( 6.083 3.858 -5.486) 9.055 14.004 ( -16.658 -7.743 -3.858) 18.770 14.816 ( 3.974 -4.609 1.523) 6.274 14.997 ( 4.472 -3.958 0.995) 6.054 15.149 ( 13.864 -0.980 -9.946) 17.091 15.734 ( 3.457 -8.030 13.559) 16.134 16.701 ( 11.592 8.361 4.467) 14.974 16.818 ( 5.345 6.097 2.328) 8.436 17.062 ( 13.955 -12.777 4.146) 19.370 17.320 ( 3.440 -0.825 -7.166) 7.991 17.642 ( 17.918 4.911 -6.629) 19.726 19.780 ( -14.343 -0.050 4.254) 14.961 20.295 ( -4.799 0.168 -10.537) 11.579 20.751 ( -1.105 -0.245 10.812) 10.871 21.368 ( -3.737 0.344 -9.337) 10.063 21.960 ( -6.841 1.189 6.254) 9.345 22.102 ( 1.564 -0.874 1.324) 2.228 23.052 ( -24.301 5.253 7.331) 25.920 24.322 ( -1.939 -2.349 -27.390) 27.559 25.440 ( -0.222 -1.269 17.526) 17.573 25.978 ( 5.675 -0.675 -1.841) 6.004 ======================= Grid point 281 (101/192) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.744 ( 1.005 2.007 14.354) 14.529 5.567 ( 11.519 23.263 4.786) 26.396 5.860 ( 13.301 5.955 -8.882) 17.066 6.017 ( 1.502 5.577 -2.037) 6.125 6.220 ( 3.609 5.401 -5.958) 8.814 6.408 ( -0.507 13.300 -3.089) 13.663 6.802 ( 3.989 -24.659 8.977) 26.544 7.241 ( -0.810 -3.969 -0.147) 4.054 7.435 ( -1.943 -12.203 -3.920) 12.964 7.672 ( 6.220 -26.172 -5.026) 27.366 8.132 ( -5.982 -1.601 16.432) 17.560 9.198 ( -4.751 1.900 -12.572) 13.573 9.331 ( -24.770 -3.231 -0.190) 24.981 9.732 ( -12.964 -0.538 -9.844) 16.287 9.965 ( 25.454 0.519 19.934) 32.335 10.295 ( -10.466 7.819 12.859) 18.331 10.405 ( 3.493 8.381 4.070) 9.950 10.727 ( -10.396 -9.162 -7.859) 15.931 11.147 ( -26.951 -3.474 0.494) 27.179 11.616 ( 10.557 -2.933 -5.444) 12.234 12.092 ( 12.203 3.450 -16.813) 21.060 12.366 ( -13.887 0.811 -2.175) 14.079 12.635 ( 5.931 0.843 14.115) 15.334 12.703 ( -13.312 18.968 0.349) 23.176 12.877 ( -4.331 6.116 -13.902) 15.793 13.195 ( -7.332 6.549 -2.264) 10.088 13.592 ( 25.210 1.914 19.754) 32.084 13.774 ( -11.473 -8.066 -2.563) 14.257 13.973 ( 12.069 1.843 -4.282) 12.938 14.828 ( -6.509 -4.490 2.154) 8.196 15.005 ( -8.221 -11.942 -2.099) 14.650 15.356 ( 3.844 -0.626 -8.486) 9.338 15.773 ( -2.191 -8.846 9.221) 12.964 16.667 ( -6.190 13.651 1.959) 15.116 16.865 ( 2.867 -0.960 8.227) 8.765 17.258 ( -1.535 -7.057 1.735) 7.428 17.383 ( 2.154 -1.642 -4.601) 5.339 17.799 ( 3.728 9.845 -7.383) 12.858 19.557 ( -10.597 -2.717 5.822) 12.393 20.222 ( -3.480 -0.611 -12.542) 13.031 20.759 ( 1.518 -0.503 11.695) 11.804 21.339 ( 1.433 0.300 -9.061) 9.178 21.849 ( -3.882 0.532 7.885) 8.805 22.175 ( 4.886 -0.055 -1.897) 5.241 22.709 ( -8.486 2.821 10.833) 14.047 24.339 ( 2.262 -1.520 -33.727) 33.837 25.535 ( 9.216 -1.494 21.019) 22.999 26.116 ( 9.018 0.399 -1.434) 9.140 ======================= Grid point 282 (102/192) ======================= q-point: (-0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( -0.117 5.728 14.956) 16.015 5.468 ( 0.219 29.212 5.929) 29.809 5.906 ( -1.499 8.440 -12.459) 15.123 5.967 ( -3.671 6.917 -4.769) 9.169 6.141 ( -2.726 19.938 -0.174) 20.124 6.391 ( 4.194 -0.405 0.104) 4.215 7.037 ( 2.768 -18.276 7.554) 19.968 7.209 ( -6.443 -6.445 5.075) 10.431 7.506 ( -0.056 -12.325 -1.842) 12.462 7.984 ( 3.215 -31.614 -5.835) 32.308 8.039 ( -7.114 -2.265 14.309) 16.140 8.855 ( -18.737 0.198 -9.265) 20.904 9.177 ( -3.485 1.154 -5.766) 6.835 9.442 ( -15.822 -9.382 -8.597) 20.305 9.863 ( -19.952 6.507 5.835) 21.782 10.253 ( -11.383 6.696 -7.008) 14.951 10.532 ( -2.553 -5.015 1.734) 5.888 10.655 ( 17.728 -1.227 6.696) 18.990 11.068 ( 13.034 -7.212 15.695) 21.638 11.728 ( -10.830 2.882 -0.657) 11.226 11.842 ( -20.171 8.910 6.397) 22.961 12.225 ( 0.029 8.571 -8.535) 12.096 12.583 ( 9.178 3.920 -7.868) 12.708 12.608 ( -4.558 6.159 -1.817) 7.875 12.821 ( 0.225 -0.616 0.610) 0.896 12.986 ( -13.377 3.714 -8.956) 16.522 13.533 ( -11.394 -7.413 -3.211) 13.968 14.019 ( 15.725 9.082 15.097) 23.615 14.157 ( 7.391 -0.614 -2.437) 7.806 14.633 ( -16.539 -3.873 1.807) 17.083 14.925 ( -14.342 -21.407 -10.544) 27.842 15.266 ( -8.813 1.164 6.095) 10.778 15.788 ( -3.722 3.101 4.212) 6.419 16.442 ( -4.697 7.562 1.648) 9.054 16.891 ( -1.893 -0.790 5.748) 6.103 17.129 ( -12.887 -0.640 3.878) 13.473 17.421 ( 1.507 -0.526 -5.216) 5.455 17.652 ( -8.456 14.522 -7.103) 18.244 19.426 ( -7.785 -7.713 6.339) 12.660 20.170 ( -3.425 -2.679 -14.308) 14.954 20.800 ( 2.097 -0.445 13.639) 13.807 21.413 ( 5.744 -0.562 -9.269) 10.919 21.833 ( 2.346 -1.219 8.852) 9.238 22.264 ( 5.475 1.342 -5.549) 7.910 22.680 ( 4.372 0.307 13.841) 14.518 24.428 ( 5.300 -3.713 -33.403) 34.024 25.778 ( 15.445 -0.185 19.074) 24.544 26.298 ( 11.454 2.268 -0.808) 11.704 ======================= Grid point 283 (103/192) ======================= q-point: (-0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.648 ( -2.272 10.793 12.890) 16.965 5.200 ( -6.121 30.234 4.256) 31.140 5.696 ( -10.264 22.602 -7.466) 25.922 5.774 ( -10.972 1.489 -19.761) 22.652 5.967 ( -0.837 20.104 8.278) 21.758 6.455 ( 1.207 -2.384 4.756) 5.455 7.095 ( -7.612 -6.729 4.498) 11.111 7.146 ( -5.673 -12.953 18.329) 23.150 7.601 ( 0.480 -12.621 -2.595) 12.894 7.881 ( -11.411 -6.666 6.555) 14.751 8.202 ( -3.492 -26.281 -5.816) 27.142 8.484 ( -18.439 10.751 -4.720) 21.860 9.124 ( -6.081 -3.421 -9.034) 11.415 9.347 ( -5.050 -12.702 -3.514) 14.113 9.494 ( -16.198 2.500 0.542) 16.399 10.017 ( -2.955 -9.022 -9.667) 13.549 10.450 ( -16.524 10.238 6.064) 20.363 10.881 ( 1.618 -6.630 -6.099) 9.153 11.004 ( -25.535 14.050 14.248) 32.441 11.388 ( 8.993 5.248 12.909) 16.585 11.913 ( 6.223 -6.734 -0.321) 9.174 12.151 ( -1.054 -1.220 0.970) 1.882 12.471 ( -13.456 -1.689 -3.294) 13.956 12.539 ( -15.053 2.524 -19.464) 24.735 12.768 ( -3.795 -2.090 2.863) 5.193 12.890 ( 11.114 -0.609 -6.771) 13.028 13.456 ( 0.142 1.998 4.299) 4.743 14.033 ( -9.175 7.139 7.834) 14.019 14.223 ( -3.996 -1.990 -6.612) 7.978 14.389 ( -8.295 -5.347 8.419) 12.972 14.694 ( -26.296 -22.760 -6.530) 35.385 15.075 ( -12.762 10.987 -3.882) 17.282 15.618 ( -1.242 8.914 18.176) 20.283 16.413 ( -2.568 -2.582 -3.715) 5.202 16.735 ( -7.098 7.542 -0.708) 10.381 16.977 ( -0.152 9.166 7.703) 11.974 17.374 ( -5.481 13.867 -7.189) 16.553 17.467 ( 2.517 2.601 -3.425) 4.983 19.372 ( -6.830 -14.346 5.698) 16.880 20.131 ( -4.211 -6.007 -16.017) 17.617 20.831 ( 0.793 -0.429 15.436) 15.463 21.518 ( 3.414 -2.376 -9.656) 10.514 21.948 ( 7.957 -2.427 9.271) 12.456 22.362 ( 5.968 1.613 -4.964) 7.929 22.793 ( 6.850 -0.247 13.938) 15.532 24.584 ( 6.870 -7.924 -31.952) 33.629 26.073 ( 16.220 1.611 15.938) 22.797 26.502 ( 13.014 3.909 -0.231) 13.590 ======================= Grid point 284 (104/192) ======================= q-point: (-0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.462 ( -8.296 16.773 6.510) 19.813 4.807 ( -12.140 32.509 2.320) 34.779 5.279 ( -16.027 22.942 -15.605) 32.042 5.541 ( -9.844 8.138 -19.274) 23.122 5.828 ( -0.057 14.809 15.144) 21.182 6.476 ( -0.609 -2.332 7.056) 7.456 7.013 ( -7.289 -10.064 8.741) 15.193 7.051 ( -10.295 -2.261 23.878) 26.101 7.666 ( -6.300 -16.416 -4.926) 18.260 7.819 ( 0.015 -8.632 0.959) 8.686 7.913 ( -23.524 14.134 1.237) 27.471 8.336 ( -5.731 -16.893 -2.502) 18.013 8.883 ( -23.018 -1.478 -1.350) 23.105 9.079 ( -26.495 7.829 -3.619) 27.864 9.466 ( 3.776 -3.325 -0.649) 5.073 9.884 ( -18.837 0.551 -2.721) 19.040 10.192 ( 4.742 -9.494 -8.337) 13.496 10.566 ( -18.841 -2.486 3.688) 19.359 10.974 ( -0.466 -3.501 -1.721) 3.929 11.338 ( -12.800 -7.133 3.783) 15.134 11.758 ( -22.319 5.144 -4.076) 23.264 11.933 ( -21.299 -0.568 1.203) 21.340 12.365 ( -0.785 -8.130 -6.734) 10.586 12.577 ( 20.054 -3.219 -4.430) 20.788 12.832 ( 4.165 -7.203 1.498) 8.455 13.139 ( 12.275 -1.669 -3.749) 12.943 13.437 ( -1.505 7.269 6.798) 10.065 13.630 ( -26.406 4.674 4.310) 27.161 14.010 ( -16.154 1.047 -2.908) 16.447 14.291 ( -14.755 -10.725 2.328) 18.389 14.463 ( -10.462 -8.868 2.320) 13.910 14.674 ( -16.462 -2.597 2.579) 16.864 15.683 ( 13.442 14.710 9.294) 21.988 16.285 ( -5.527 1.957 -1.498) 6.052 16.721 ( 10.856 17.566 -2.148) 20.761 16.915 ( 5.300 18.322 3.213) 19.342 17.277 ( 4.160 11.462 -0.536) 12.205 17.517 ( 3.558 0.068 -4.616) 5.828 19.362 ( -8.046 -20.391 4.157) 22.312 20.096 ( -5.892 -9.953 -17.761) 21.195 20.836 ( -0.753 -0.980 15.609) 15.658 21.545 ( -3.314 -3.409 -10.256) 11.305 22.114 ( 6.465 -2.206 11.847) 13.675 22.456 ( 4.943 -0.931 -0.501) 5.055 22.923 ( 6.924 -0.089 10.898) 12.912 24.779 ( 6.174 -11.900 -32.036) 34.728 26.328 ( 12.796 3.596 13.978) 19.289 26.726 ( 14.471 4.372 -0.361) 15.121 ======================= Grid point 285 (105/192) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( -23.436 26.859 -2.899) 35.764 4.335 ( -13.121 30.669 7.547) 34.201 4.837 ( -11.993 22.752 -24.005) 35.181 5.325 ( -5.973 10.551 -18.862) 22.423 5.756 ( 1.038 10.483 21.004) 23.497 6.468 ( -1.152 0.106 7.861) 7.946 6.801 ( -15.199 6.585 23.711) 28.924 6.924 ( -10.060 0.601 12.078) 15.730 7.382 ( -17.866 5.161 3.996) 19.020 7.706 ( -7.614 -19.675 -1.450) 21.147 7.947 ( 5.019 -6.138 -0.054) 7.928 8.056 ( -30.516 33.504 2.349) 45.379 8.366 ( -13.452 -24.996 -1.089) 28.407 8.741 ( -13.362 -10.854 6.897) 18.545 9.391 ( -15.604 7.234 -2.553) 17.388 9.753 ( -8.703 -8.052 -20.376) 23.574 9.986 ( -21.052 -4.136 -13.580) 25.391 10.501 ( -7.905 -20.590 -1.839) 22.132 10.881 ( -25.072 -5.907 7.934) 26.953 11.038 ( -6.602 -12.386 5.811) 15.191 11.321 ( -14.478 8.097 -6.738) 17.905 11.806 ( 4.185 -8.017 7.216) 11.570 12.530 ( 7.571 -6.641 -6.044) 11.745 12.743 ( -22.709 6.787 -0.923) 23.720 12.858 ( -4.194 4.786 -9.038) 11.053 12.995 ( -17.580 8.458 3.989) 19.912 13.228 ( -0.279 -9.240 7.399) 11.841 13.516 ( 10.335 -1.453 -4.076) 11.204 13.882 ( 4.186 -4.173 6.354) 8.678 14.075 ( -18.647 -19.525 -1.451) 27.037 14.298 ( -5.792 -3.478 5.907) 8.974 14.660 ( 2.753 -8.439 6.322) 10.898 15.832 ( 15.560 20.109 3.579) 25.677 16.297 ( 12.434 13.908 -4.879) 19.283 16.800 ( 14.221 21.942 3.857) 26.431 16.952 ( 12.051 19.458 1.657) 22.947 17.303 ( 4.875 7.403 1.906) 9.067 17.597 ( 4.935 -0.681 -5.113) 7.138 19.345 ( -11.132 -23.393 2.349) 26.013 20.051 ( -7.838 -12.923 -19.811) 24.918 20.814 ( -2.937 -1.620 13.134) 13.556 21.433 ( -10.875 -1.958 -11.233) 15.757 22.175 ( -2.511 -5.416 22.060) 22.854 22.587 ( 7.624 -3.120 1.815) 8.436 23.038 ( 5.383 0.613 6.253) 8.274 24.968 ( 3.784 -14.695 -33.475) 36.754 26.489 ( 8.317 5.638 13.556) 16.873 26.972 ( 15.022 3.708 -2.038) 15.606 ======================= Grid point 286 (106/192) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -30.608 32.867 -1.852) 44.950 3.827 ( -18.873 33.470 17.573) 42.252 4.588 ( 1.641 18.067 -32.873) 37.547 5.149 ( -5.786 13.603 -19.665) 24.601 5.630 ( -5.801 21.359 24.672) 33.145 6.325 ( -19.210 28.780 21.298) 40.631 6.429 ( -0.761 6.376 7.319) 9.737 6.655 ( -11.468 5.678 16.116) 20.578 7.130 ( -12.762 -8.591 0.763) 15.403 7.447 ( -11.330 7.342 8.363) 15.881 7.772 ( -3.669 -18.523 -6.526) 19.979 8.156 ( 7.978 -10.954 -0.176) 13.553 8.327 ( -9.349 -17.374 -4.968) 20.346 8.563 ( -16.075 -5.314 -5.188) 17.707 8.981 ( -15.581 -1.511 18.261) 24.053 9.382 ( -30.086 -2.992 -13.998) 33.318 9.713 ( -18.263 -6.536 -22.815) 29.946 10.367 ( -23.716 2.823 13.217) 27.296 10.472 ( -10.277 -28.462 -2.490) 30.363 11.182 ( 2.017 3.750 -7.526) 8.647 11.256 ( 9.310 -18.512 13.331) 24.639 11.977 ( -1.857 -4.779 6.585) 8.346 12.066 ( -29.845 12.466 -1.180) 32.365 12.228 ( -25.936 3.880 4.628) 26.630 12.772 ( 7.378 -5.050 -7.280) 11.530 13.015 ( 5.167 11.592 -7.632) 14.810 13.355 ( 3.443 -7.161 9.849) 12.654 13.732 ( 8.910 -6.594 -3.334) 11.575 13.961 ( -4.887 -18.756 -2.369) 19.526 14.038 ( -0.241 -10.226 -5.321) 11.530 14.348 ( 5.231 -15.368 9.971) 19.052 14.801 ( 7.573 -1.511 16.083) 17.841 15.954 ( 14.016 23.973 2.286) 27.864 16.509 ( 21.969 17.265 -12.065) 30.435 16.962 ( 17.418 21.400 6.748) 28.406 17.044 ( 13.937 19.759 3.399) 24.417 17.347 ( 4.437 2.495 3.658) 6.269 17.707 ( 5.960 -1.321 -5.323) 8.099 19.276 ( -13.703 -21.961 0.639) 25.894 19.981 ( -9.818 -12.608 -22.825) 27.863 20.726 ( -8.932 -1.541 8.324) 12.306 21.189 ( -15.129 -0.331 -10.842) 18.616 22.138 ( -6.955 -11.259 35.655) 38.032 22.750 ( 7.250 -1.923 2.336) 7.856 23.105 ( 2.473 1.034 2.196) 3.465 25.125 ( 1.268 -16.225 -35.441) 38.999 26.562 ( 4.697 7.294 14.075) 16.534 27.219 ( 13.822 2.567 -5.872) 15.235 ======================= Grid point 287 (107/192) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -19.002 35.003 13.325) 41.998 3.172 ( -23.207 36.540 28.015) 51.561 4.569 ( 2.570 25.487 -25.261) 35.977 4.796 ( -7.072 33.346 -9.867) 35.487 5.306 ( -1.781 34.222 -2.429) 34.354 5.950 ( -5.240 10.722 15.375) 19.463 6.340 ( -3.731 6.904 19.070) 20.622 6.520 ( -1.579 0.046 4.968) 5.213 7.011 ( -11.314 -10.781 -3.764) 16.075 7.264 ( -5.108 1.850 5.503) 7.733 7.869 ( -0.856 -16.947 -12.017) 20.793 8.110 ( -9.657 3.644 -7.049) 12.499 8.324 ( -9.527 -4.164 -9.917) 14.368 8.492 ( 9.088 -18.236 3.810) 20.728 8.881 ( -8.924 -13.059 26.441) 30.810 8.976 ( -15.597 -23.254 3.734) 28.248 9.383 ( -18.263 -4.449 -5.287) 19.526 10.031 ( -9.061 7.544 9.268) 14.997 10.534 ( -3.767 -24.955 -8.767) 26.717 11.248 ( 2.709 -4.050 -5.461) 7.318 11.425 ( -10.428 3.798 1.478) 11.196 11.504 ( -16.947 11.826 1.307) 20.707 11.666 ( -5.609 -13.789 13.973) 20.417 12.234 ( 3.660 -4.578 8.995) 10.736 12.877 ( 2.436 4.246 -7.565) 9.010 13.014 ( 3.699 4.620 -2.446) 6.404 13.443 ( 1.662 -6.801 6.823) 9.776 13.867 ( 2.930 0.088 0.132) 2.934 14.071 ( 0.857 -1.730 -8.854) 9.062 14.140 ( 2.165 -31.473 -8.815) 32.756 14.621 ( 5.133 -26.881 14.078) 30.776 14.931 ( 6.629 1.794 23.029) 24.032 16.000 ( 10.073 26.166 4.140) 28.342 16.804 ( 17.000 14.464 -9.037) 24.080 17.055 ( 11.561 16.373 4.761) 20.601 17.206 ( 13.711 10.985 -2.102) 17.694 17.462 ( 9.073 5.157 5.593) 11.840 17.819 ( 4.322 -1.511 -4.986) 6.769 19.155 ( -12.605 -12.002 -1.085) 17.439 19.871 ( -9.935 -9.992 -28.148) 31.478 20.485 ( -16.132 -0.221 4.759) 16.821 20.946 ( -10.347 -0.980 -8.344) 13.328 22.098 ( -6.274 -13.224 48.213) 50.386 22.864 ( 3.946 -0.294 2.813) 4.855 23.124 ( 0.654 0.661 -0.904) 1.297 25.250 ( -0.054 -16.444 -37.179) 40.653 26.565 ( 1.940 8.514 14.663) 17.067 27.432 ( 10.062 1.178 -12.214) 15.869 ======================= Grid point 288 (108/192) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 32.211 32.336) 45.641 2.611 ( 0.000 40.462 32.781) 52.075 4.079 ( 0.000 68.289 15.652) 70.060 4.746 ( 0.000 11.303 -38.039) 39.683 5.065 ( 0.000 28.451 -22.009) 35.970 5.898 ( -0.000 -0.407 17.180) 17.185 6.244 ( 0.000 3.898 26.598) 26.882 6.521 ( 0.000 0.158 -3.166) 3.170 6.864 ( 0.000 4.207 -20.979) 21.396 7.271 ( -0.000 -7.100 11.934) 13.886 7.895 ( -0.000 -4.436 -5.089) 6.751 8.133 ( -0.000 -14.704 -12.177) 19.092 8.150 ( 0.000 7.311 -8.390) 11.129 8.782 ( -0.000 -9.170 24.525) 26.183 8.905 ( -0.000 -30.180 1.869) 30.237 9.006 ( -0.000 -29.820 -0.747) 29.829 9.259 ( -0.000 -9.817 30.806) 32.333 9.897 ( 0.000 7.809 3.928) 8.741 10.679 ( -0.000 -21.672 -15.639) 26.726 11.153 ( 0.000 14.920 0.655) 14.934 11.207 ( 0.000 16.692 -0.539) 16.701 11.397 ( -0.000 -15.765 -2.472) 15.957 11.804 ( -0.000 -17.889 15.859) 23.907 12.279 ( -0.000 -0.023 10.923) 10.924 12.828 ( 0.000 10.556 -6.754) 12.532 13.084 ( -0.000 -8.552 1.282) 8.648 13.514 ( -0.000 -7.157 4.239) 8.318 13.883 ( 0.000 1.630 1.553) 2.252 14.098 ( -0.000 -2.309 -6.277) 6.688 14.372 ( -0.000 -24.421 -10.829) 26.715 14.828 ( -0.000 -12.469 14.600) 19.200 15.062 ( -0.000 -23.714 26.266) 35.388 15.920 ( 0.000 26.508 7.099) 27.442 16.811 ( 0.000 19.052 -0.117) 19.052 17.161 ( -0.000 -0.903 2.451) 2.612 17.416 ( -0.000 -0.360 -3.241) 3.261 17.434 ( 0.000 15.893 0.377) 15.898 17.865 ( -0.000 -0.128 -5.939) 5.940 19.006 ( 0.000 8.396 -1.634) 8.554 19.835 ( -0.000 -13.045 -33.355) 35.815 20.297 ( -0.000 -0.533 6.132) 6.155 20.847 ( -0.000 -0.552 -6.195) 6.220 22.128 ( -0.000 -15.229 55.825) 57.865 22.899 ( 0.000 0.361 3.014) 3.036 23.127 ( 0.000 0.242 -2.142) 2.156 25.363 ( -0.000 -15.512 -37.735) 40.799 26.519 ( 0.000 9.111 14.569) 17.183 27.529 ( 0.000 2.534 -19.374) 19.539 ======================= Grid point 295 (109/192) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( 1.789 -0.000 14.694) 14.802 5.747 ( 18.137 -0.000 -2.800) 18.352 5.939 ( 11.814 -0.000 -10.205) 15.611 6.030 ( -1.250 0.000 -4.940) 5.096 6.391 ( 12.460 -0.000 5.540) 13.636 6.430 ( -5.447 0.000 10.319) 11.668 6.583 ( 2.161 -0.000 0.805) 2.306 7.245 ( 2.889 -0.000 -3.263) 4.358 7.262 ( -2.496 0.000 -10.005) 10.311 7.495 ( 1.844 -0.000 -2.054) 2.760 8.121 ( -5.944 0.000 17.054) 18.060 9.212 ( -3.080 0.000 -12.925) 13.287 9.308 ( -26.025 0.000 -1.025) 26.045 9.728 ( -14.602 0.000 -11.113) 18.350 9.968 ( 26.263 -0.000 21.654) 34.039 10.352 ( -1.800 0.000 16.105) 16.205 10.499 ( -14.507 0.000 -4.630) 15.227 10.627 ( -0.565 0.000 -0.242) 0.615 11.123 ( -30.096 0.000 -1.375) 30.127 11.591 ( 8.079 -0.000 -3.832) 8.942 12.121 ( 15.374 -0.000 -16.668) 22.676 12.365 ( -12.740 0.000 -1.733) 12.857 12.640 ( 8.241 -0.000 15.693) 17.725 12.859 ( -16.143 0.000 0.287) 16.146 12.927 ( -3.521 0.000 -18.331) 18.667 13.253 ( -10.849 0.000 -2.210) 11.072 13.581 ( 8.505 -0.000 11.255) 14.107 13.727 ( 7.842 -0.000 8.337) 11.446 13.991 ( 11.652 -0.000 -2.502) 11.918 14.779 ( -6.203 0.000 -5.041) 7.994 14.912 ( -10.960 0.000 -1.038) 11.009 15.350 ( 2.505 -0.000 -1.390) 2.865 15.718 ( 3.337 -0.000 5.769) 6.665 16.793 ( -10.992 0.000 -5.559) 12.318 16.844 ( 3.965 -0.000 8.340) 9.235 17.191 ( 2.282 -0.000 10.087) 10.342 17.372 ( 2.557 -0.000 -5.824) 6.360 17.870 ( 3.795 -0.000 -7.545) 8.446 19.537 ( -11.652 0.000 6.006) 13.109 20.217 ( -3.910 0.000 -12.629) 13.220 20.756 ( 1.538 -0.000 11.712) 11.813 21.341 ( 1.223 -0.000 -9.233) 9.313 21.853 ( -4.438 0.000 8.037) 9.181 22.174 ( 5.469 -0.000 -1.549) 5.684 22.731 ( -10.256 0.000 10.111) 14.402 24.328 ( 2.364 -0.000 -33.581) 33.664 25.524 ( 9.684 -0.000 21.244) 23.348 26.119 ( 9.557 -0.000 -1.567) 9.685 ======================= Grid point 296 (110/192) ======================= q-point: (-0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.786 ( 2.053 2.446 15.458) 15.784 5.852 ( -0.016 19.666 -2.790) 19.863 5.941 ( -4.883 2.842 -12.728) 13.926 6.070 ( 2.707 1.233 -4.524) 5.414 6.370 ( 3.607 3.098 8.725) 9.937 6.460 ( -1.328 17.444 6.189) 18.557 6.727 ( 3.039 -21.757 9.364) 23.881 7.172 ( -5.846 0.618 -4.207) 7.229 7.333 ( 0.260 -10.796 -3.481) 11.346 7.612 ( 3.891 -15.877 -4.149) 16.865 8.026 ( -6.122 -0.158 16.214) 17.332 8.841 ( -17.621 -1.007 -11.857) 21.263 9.219 ( -0.540 3.695 -6.317) 7.338 9.332 ( -20.709 -5.824 -13.359) 25.323 9.956 ( -23.231 4.712 8.350) 25.132 10.312 ( -25.099 1.508 -5.653) 25.772 10.476 ( 10.569 -1.907 2.244) 10.972 10.620 ( 8.933 -2.445 4.544) 10.316 11.008 ( 21.829 -1.670 21.225) 30.493 11.683 ( 2.268 -2.817 -0.539) 3.656 11.995 ( -25.255 5.975 6.373) 26.723 12.338 ( -2.543 5.321 -10.358) 11.919 12.632 ( 2.382 3.040 -1.963) 4.333 12.721 ( -8.033 7.164 -5.935) 12.291 12.801 ( 0.605 -2.496 3.616) 4.435 13.024 ( -15.033 1.392 -13.212) 20.062 13.428 ( -7.598 -5.213 -2.249) 9.485 14.121 ( 13.414 4.562 12.426) 18.845 14.150 ( 6.812 -0.630 5.580) 8.828 14.596 ( -15.228 -1.244 -5.924) 16.387 14.664 ( -17.282 -11.574 -7.966) 22.273 15.277 ( -3.353 0.340 11.794) 12.267 15.842 ( 4.184 2.837 -5.656) 7.586 16.511 ( -14.493 2.293 -1.852) 14.790 16.875 ( -1.775 -0.895 5.988) 6.309 17.127 ( -6.216 0.097 10.842) 12.498 17.412 ( 1.510 -0.464 -5.976) 6.181 17.796 ( -7.875 5.315 -7.439) 12.067 19.348 ( -10.094 -2.921 6.941) 12.594 20.144 ( -4.493 -0.964 -14.855) 15.549 20.795 ( 2.201 -0.220 14.016) 14.190 21.408 ( 5.010 -0.209 -9.301) 10.567 21.823 ( 1.734 -0.277 9.265) 9.430 22.277 ( 5.844 0.479 -5.636) 8.134 22.686 ( 3.868 0.323 12.866) 13.439 24.391 ( 3.928 -1.331 -33.206) 33.464 25.774 ( 16.253 -0.210 19.377) 25.291 26.318 ( 11.962 0.700 -1.005) 12.024 ======================= Grid point 297 (111/192) ======================= q-point: (-0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( 0.935 7.527 12.523) 14.641 5.627 ( -4.676 27.470 -0.792) 27.876 5.771 ( -12.092 0.324 -16.379) 20.362 5.989 ( -5.617 15.102 -7.750) 17.880 6.272 ( -2.230 21.412 9.207) 23.414 6.427 ( 1.327 -1.020 10.792) 10.921 6.870 ( -4.803 -23.431 15.091) 28.281 7.031 ( -8.612 -1.801 0.264) 8.802 7.407 ( -2.144 -13.575 -4.484) 14.457 7.802 ( -1.331 -23.602 -0.815) 23.653 7.848 ( -11.183 -1.683 7.737) 13.703 8.593 ( -11.294 4.305 -13.049) 17.787 9.041 ( -9.421 -7.954 -10.233) 16.022 9.320 ( -0.482 7.785 -0.247) 7.804 9.518 ( -14.990 1.431 3.492) 15.458 9.847 ( -18.043 -13.584 -4.556) 23.040 10.568 ( -3.980 6.116 1.378) 7.426 10.753 ( 1.719 -8.936 -2.356) 9.400 11.261 ( -26.651 17.659 10.879) 33.770 11.520 ( 5.507 11.608 10.548) 16.623 11.795 ( 12.358 -8.167 8.114) 16.889 12.139 ( -9.600 -1.759 0.395) 9.768 12.454 ( -14.505 -0.785 -5.892) 15.676 12.590 ( -22.051 4.016 -16.208) 27.660 12.722 ( -8.603 -3.879 2.162) 9.682 12.887 ( 10.902 -0.099 -5.739) 12.320 13.471 ( 7.533 0.626 0.970) 7.621 14.092 ( -13.304 -3.351 -0.307) 13.723 14.152 ( -10.468 -2.144 -4.125) 11.454 14.362 ( -7.573 0.795 10.024) 12.588 14.441 ( -14.662 -11.497 -0.447) 18.637 15.216 ( -10.056 7.609 -7.717) 14.784 15.742 ( -1.666 7.985 11.897) 14.424 16.331 ( -8.594 -7.130 -0.940) 11.206 16.830 ( 2.410 4.946 1.368) 5.669 17.076 ( 2.555 4.942 9.778) 11.250 17.429 ( -0.249 -0.666 -7.666) 7.699 17.609 ( -3.185 10.919 -5.054) 12.446 19.202 ( -10.359 -8.967 6.841) 15.314 20.064 ( -5.833 -3.320 -17.407) 18.656 20.826 ( 0.644 -0.347 16.787) 16.803 21.487 ( 1.914 -1.765 -7.964) 8.379 21.930 ( 9.010 -0.492 8.439) 12.355 22.381 ( 5.358 0.972 -5.808) 7.961 22.797 ( 7.274 0.496 12.390) 14.376 24.494 ( 4.989 -4.464 -31.143) 31.855 26.089 ( 17.057 0.615 15.921) 23.341 26.540 ( 12.680 1.577 -0.411) 12.785 ======================= Grid point 298 (112/192) ======================= q-point: (-0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.688 ( -3.727 14.168 4.525) 15.333 5.275 ( -11.384 32.321 -0.692) 34.275 5.489 ( -16.810 5.224 -18.161) 25.292 5.715 ( -8.032 17.121 -14.681) 23.941 6.078 ( -2.902 18.546 13.377) 23.051 6.449 ( 0.625 -0.932 13.330) 13.377 6.847 ( -8.985 -12.483 10.483) 18.613 6.948 ( -8.309 -11.517 16.597) 21.844 7.406 ( -9.341 -17.302 -6.399) 20.678 7.724 ( -0.501 -4.573 6.043) 7.595 7.914 ( -7.949 -22.429 -4.323) 24.186 8.257 ( -17.371 15.853 -1.502) 23.566 8.809 ( -19.014 -6.201 1.566) 20.061 9.168 ( -9.457 0.980 -9.272) 13.280 9.447 ( 2.889 -2.166 -3.429) 4.980 9.829 ( -12.395 -9.057 6.429) 16.643 10.208 ( -12.270 12.408 -6.810) 18.732 10.589 ( -23.601 4.899 -1.834) 24.174 10.896 ( -0.885 -3.653 5.677) 6.808 11.303 ( -20.162 0.437 2.541) 20.326 11.820 ( -22.411 2.694 -2.521) 22.713 11.954 ( -14.813 2.905 -0.696) 15.111 12.206 ( -11.698 -14.224 -7.834) 20.014 12.534 ( 24.081 -2.547 4.083) 24.558 12.702 ( 0.728 -9.417 2.341) 9.731 13.122 ( 12.524 -1.142 -1.607) 12.678 13.552 ( -1.651 7.907 1.863) 8.290 13.712 ( -20.032 6.538 0.013) 21.072 13.892 ( -23.534 -13.407 -7.147) 28.012 14.223 ( -8.035 1.651 5.871) 10.088 14.372 ( 0.629 -6.885 -0.169) 6.916 14.690 ( -32.892 3.543 -1.696) 33.126 15.861 ( 16.205 10.260 8.962) 21.170 16.283 ( 1.950 -1.817 2.345) 3.550 16.918 ( 10.927 10.128 -0.684) 14.914 17.112 ( 6.810 9.928 5.803) 13.365 17.440 ( 4.198 5.386 -6.930) 9.729 17.546 ( 2.538 8.664 -1.933) 9.233 19.092 ( -11.468 -16.995 5.535) 21.237 19.975 ( -7.492 -6.702 -20.091) 22.465 20.824 ( -1.134 -0.759 18.320) 18.370 21.489 ( -3.954 -3.713 -6.161) 8.208 22.116 ( 9.646 1.718 7.568) 12.380 22.441 ( 1.598 -1.066 -1.301) 2.320 22.932 ( 7.727 0.975 9.024) 11.920 24.632 ( 4.678 -8.410 -30.605) 32.082 26.370 ( 13.993 2.316 13.534) 19.604 26.763 ( 12.592 1.229 -0.247) 12.654 ======================= Grid point 299 (113/192) ======================= q-point: (-0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -15.580 24.201 -5.649) 29.331 4.758 ( -18.071 27.670 2.243) 33.125 5.116 ( -13.580 15.265 -21.105) 29.375 5.500 ( -3.777 14.691 -15.512) 21.696 5.929 ( -0.255 14.044 17.562) 22.488 6.460 ( -0.045 -0.317 12.748) 12.752 6.758 ( -14.080 -12.039 14.633) 23.607 6.847 ( -5.226 -7.672 14.209) 16.972 7.388 ( -7.084 -18.692 -5.285) 20.676 7.632 ( -19.139 19.708 7.302) 28.426 7.817 ( 3.116 -9.280 2.671) 10.148 8.000 ( -14.175 -23.153 1.648) 27.198 8.549 ( -14.376 5.745 2.165) 15.632 8.680 ( -24.542 24.575 1.790) 34.777 9.503 ( -4.183 0.435 -6.485) 7.729 9.546 ( -15.265 -11.763 -7.583) 20.710 9.947 ( -22.149 -1.120 -10.284) 24.446 10.304 ( -12.564 -7.504 -3.561) 15.061 10.791 ( -15.779 -6.514 6.680) 18.331 10.867 ( -20.961 -8.526 6.874) 23.650 11.449 ( -9.505 8.257 -7.557) 14.684 11.739 ( -1.783 -1.885 3.060) 4.012 12.316 ( 4.591 -24.067 -6.080) 25.244 12.752 ( -6.558 -7.072 5.605) 11.156 12.929 ( -8.714 5.947 -5.253) 11.786 13.059 ( -6.490 1.247 7.931) 10.323 13.222 ( -14.033 7.966 -5.380) 17.009 13.525 ( 3.703 -1.300 1.037) 4.059 13.667 ( -9.148 -10.198 1.049) 13.740 14.033 ( -8.081 4.420 1.582) 9.345 14.266 ( -7.062 -2.924 -1.548) 7.798 14.525 ( 5.990 -10.209 2.267) 12.052 16.089 ( 17.646 15.702 5.100) 24.165 16.448 ( 16.868 7.535 0.800) 18.492 17.049 ( 12.147 12.246 2.114) 17.378 17.191 ( 10.659 13.790 3.337) 17.746 17.459 ( 3.747 15.214 -0.214) 15.670 17.574 ( 3.553 -2.468 -4.087) 5.951 19.015 ( -12.401 -22.721 3.420) 26.110 19.892 ( -7.274 -9.195 -22.689) 25.539 20.795 ( -2.860 -1.073 16.781) 17.057 21.386 ( -10.193 -3.867 -6.236) 12.560 22.167 ( -2.749 3.350 14.643) 15.271 22.534 ( 7.327 -4.402 1.794) 8.734 23.055 ( 6.016 1.402 4.714) 7.770 24.776 ( 2.787 -11.940 -31.734) 34.020 26.563 ( 9.536 4.681 12.618) 16.494 26.989 ( 12.063 -0.668 -1.125) 12.134 ======================= Grid point 300 (114/192) ======================= q-point: (-0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -29.109 31.181 -3.777) 42.823 4.274 ( -16.401 28.780 11.935) 35.210 4.833 ( -2.767 15.935 -27.012) 31.484 5.345 ( -2.288 14.222 -16.099) 21.603 5.856 ( 1.677 12.704 17.023) 21.307 6.441 ( -4.699 -1.037 7.244) 8.697 6.549 ( -10.333 -0.686 17.942) 20.716 6.797 ( -5.447 3.614 6.848) 9.467 7.123 ( -16.620 12.574 8.870) 22.650 7.445 ( -7.490 -13.478 6.781) 16.844 7.704 ( -17.669 5.972 1.676) 18.726 7.978 ( 3.313 -13.248 3.597) 14.122 8.140 ( -6.077 2.811 -5.262) 8.516 8.468 ( -8.634 -7.526 3.714) 12.041 9.041 ( -25.480 8.186 1.356) 26.797 9.370 ( -27.344 -1.200 -12.808) 30.219 9.590 ( -17.471 -9.971 -18.552) 27.365 10.093 ( -13.782 -21.780 -1.596) 25.824 10.392 ( -18.030 0.881 13.409) 22.487 10.978 ( 7.971 -18.975 11.866) 23.757 11.278 ( -2.322 8.019 -6.901) 10.831 11.880 ( 7.440 -6.746 1.724) 10.190 12.237 ( -31.185 10.384 0.804) 32.878 12.330 ( -32.241 8.599 3.505) 33.551 12.619 ( 7.854 -20.162 -8.869) 23.385 13.124 ( 1.999 -12.801 2.679) 13.230 13.223 ( 6.775 4.542 -0.683) 8.185 13.547 ( -9.416 -12.680 4.596) 16.449 13.729 ( 6.772 -6.643 -2.818) 9.896 13.992 ( 3.094 -0.386 0.657) 3.186 14.269 ( 4.483 -0.635 -2.098) 4.990 14.749 ( 10.841 -5.742 7.002) 14.125 16.269 ( 15.078 20.080 3.656) 25.376 16.731 ( 20.471 13.832 -8.040) 25.981 17.226 ( 16.003 13.986 6.955) 22.362 17.290 ( 10.712 14.812 4.145) 18.743 17.384 ( -2.137 4.282 2.996) 5.646 17.677 ( 4.928 -2.715 -4.945) 7.491 18.951 ( -12.252 -23.569 1.828) 26.626 19.844 ( -4.071 -6.644 -24.997) 26.183 20.711 ( -7.845 -0.542 11.404) 13.853 21.172 ( -14.515 -1.833 -7.540) 16.459 22.052 ( -6.934 -1.717 28.943) 29.812 22.719 ( 8.584 -2.510 2.213) 9.213 23.123 ( 2.440 1.399 1.400) 3.142 24.902 ( 0.631 -14.683 -33.782) 36.841 26.661 ( 5.590 6.625 12.853) 15.503 27.211 ( 10.332 -2.896 -3.473) 11.278 ======================= Grid point 301 (115/192) ======================= q-point: (-0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -20.559 31.791 11.461) 39.556 3.691 ( -19.117 36.448 21.031) 46.219 4.814 ( 10.418 13.668 -31.816) 36.160 5.175 ( -4.828 19.020 -18.059) 26.669 5.781 ( 3.725 23.464 12.866) 27.018 6.161 ( -15.587 16.176 10.733) 24.895 6.471 ( -0.105 7.260 5.314) 8.998 6.596 ( -5.345 15.995 9.308) 19.263 6.848 ( -8.453 -9.144 5.450) 13.593 7.274 ( -10.122 -1.701 15.935) 18.954 7.660 ( 3.243 -8.958 -8.920) 13.051 8.091 ( -2.685 -10.601 -5.417) 12.203 8.193 ( 3.857 -20.966 0.670) 21.329 8.307 ( -9.013 3.580 -9.713) 13.725 8.691 ( -12.833 -10.729 18.039) 24.600 8.828 ( -23.516 -0.176 3.235) 23.738 9.331 ( -14.412 -3.434 -14.535) 20.755 10.110 ( -6.701 -21.453 0.747) 22.488 10.152 ( -5.519 -1.096 7.753) 9.580 11.226 ( 2.512 -2.672 -2.856) 4.649 11.287 ( 5.792 -15.542 9.949) 19.341 11.645 ( -21.738 8.181 0.979) 23.247 11.688 ( -18.324 11.291 0.571) 21.531 12.157 ( 5.815 -5.639 6.018) 10.091 12.849 ( 4.862 -8.739 -9.172) 13.569 13.175 ( 2.233 13.435 -3.323) 14.019 13.327 ( 0.963 -12.209 8.341) 14.818 13.575 ( -4.099 -37.088 2.116) 37.373 13.852 ( 3.641 -1.840 -3.573) 5.423 14.055 ( 2.021 -1.327 -6.968) 7.376 14.406 ( 6.163 -5.841 6.072) 10.439 14.955 ( 7.940 0.163 12.863) 15.117 16.351 ( 10.085 22.849 4.122) 25.314 16.989 ( 16.295 11.824 -10.821) 22.856 17.217 ( -4.034 5.569 3.531) 7.730 17.341 ( 6.269 9.988 1.920) 11.948 17.546 ( 14.698 5.690 5.125) 16.573 17.785 ( 3.861 -3.371 -4.370) 6.736 18.914 ( -8.135 -20.724 0.700) 22.275 19.825 ( -0.030 2.256 -27.081) 27.174 20.487 ( -15.493 0.610 5.586) 16.480 20.934 ( -10.311 -0.691 -7.057) 12.514 21.974 ( -3.979 -5.051 42.213) 42.700 22.859 ( 4.996 -0.464 2.727) 5.710 23.135 ( 0.103 0.758 -1.074) 1.318 25.013 ( -0.322 -16.445 -35.944) 39.529 26.682 ( 2.447 7.886 13.652) 15.955 27.401 ( 6.775 -4.773 -7.175) 10.962 ======================= Grid point 302 (116/192) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 31.250 26.342) 40.871 3.195 ( 0.000 41.279 23.655) 47.577 4.847 ( 0.000 35.356 -12.125) 37.378 4.927 ( 0.000 13.853 -34.758) 37.417 5.581 ( 0.000 44.330 3.346) 44.457 5.909 ( 0.000 2.154 13.268) 13.441 6.365 ( 0.000 14.064 17.391) 22.366 6.515 ( -0.000 -0.782 -6.357) 6.405 6.850 ( -0.000 -6.263 -0.201) 6.266 7.188 ( -0.000 -4.659 17.208) 17.828 7.774 ( -0.000 -11.088 -17.066) 20.352 8.068 ( 0.000 6.836 -4.865) 8.391 8.196 ( -0.000 -4.376 -9.473) 10.435 8.481 ( -0.000 -28.525 3.081) 28.691 8.614 ( -0.000 -22.108 -1.015) 22.131 8.672 ( -0.000 -6.493 29.716) 30.417 9.198 ( -0.000 -0.874 2.224) 2.390 10.015 ( 0.000 8.755 9.521) 12.934 10.291 ( -0.000 -30.439 -9.490) 31.884 11.266 ( -0.000 -3.799 -2.942) 4.805 11.344 ( 0.000 11.915 0.920) 11.951 11.421 ( 0.000 13.363 -0.783) 13.386 11.515 ( -0.000 -22.075 14.571) 26.450 12.251 ( -0.000 -3.896 7.849) 8.763 12.922 ( -0.000 -0.168 -8.011) 8.013 13.102 ( 0.000 11.222 -2.534) 11.505 13.396 ( -0.000 -8.568 7.347) 11.286 13.850 ( -0.000 -33.084 -5.344) 33.513 13.908 ( -0.000 -12.843 -0.062) 12.843 14.081 ( -0.000 -1.037 -8.712) 8.774 14.535 ( -0.000 -13.749 11.278) 17.783 15.017 ( 0.000 2.875 18.389) 18.612 16.287 ( 0.000 24.659 5.575) 25.281 17.057 ( 0.000 15.420 -3.381) 15.787 17.148 ( -0.000 -0.951 2.533) 2.705 17.411 ( -0.000 -0.381 -3.339) 3.361 17.628 ( 0.000 10.963 0.279) 10.966 17.845 ( -0.000 -2.580 -4.029) 4.784 18.962 ( -0.000 -14.478 -1.087) 14.519 19.790 ( 0.000 7.281 -31.011) 31.854 20.289 ( -0.000 -0.553 6.146) 6.170 20.839 ( -0.000 -0.574 -6.174) 6.201 21.976 ( -0.000 -6.891 48.997) 49.479 22.904 ( 0.000 0.373 2.984) 3.008 23.131 ( 0.000 0.250 -2.130) 2.144 25.129 ( -0.000 -16.942 -37.338) 41.002 26.645 ( 0.000 8.531 14.482) 16.808 27.506 ( -0.000 -4.735 -11.128) 12.093 ======================= Grid point 311 (117/192) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.841 ( 2.210 -0.000 12.300) 12.497 5.762 ( -11.315 0.000 -15.311) 19.038 5.883 ( -4.985 0.000 -6.937) 8.543 6.090 ( -4.751 0.000 -4.812) 6.762 6.432 ( 3.591 -0.000 13.928) 14.384 6.525 ( -9.286 0.000 12.959) 15.942 6.578 ( -0.287 0.000 13.076) 13.079 7.032 ( -9.325 0.000 -3.020) 9.802 7.281 ( -2.642 0.000 -5.794) 6.367 7.598 ( 0.558 -0.000 -3.091) 3.141 7.850 ( -12.255 0.000 12.476) 17.488 8.622 ( -7.231 0.000 -15.953) 17.515 8.974 ( -10.907 0.000 -10.281) 14.989 9.414 ( 14.311 -0.000 -3.410) 14.712 9.548 ( -20.528 0.000 9.943) 22.810 9.703 ( -31.726 0.000 -4.595) 32.057 10.641 ( -5.979 0.000 1.377) 6.136 10.654 ( 6.219 -0.000 -1.826) 6.482 11.401 ( -14.982 0.000 9.740) 17.870 11.634 ( -8.671 0.000 0.626) 8.693 11.725 ( 21.353 -0.000 20.507) 29.606 12.112 ( -17.106 0.000 -0.757) 17.123 12.448 ( -17.320 0.000 -8.465) 19.277 12.634 ( -27.011 0.000 -12.368) 29.708 12.678 ( -6.233 0.000 1.590) 6.432 12.886 ( 10.286 -0.000 -5.314) 11.577 13.477 ( 11.831 -0.000 -1.171) 11.889 14.020 ( -14.177 0.000 -3.894) 14.702 14.173 ( -16.776 0.000 -4.936) 17.487 14.350 ( -9.145 0.000 2.127) 9.389 14.380 ( -4.907 0.000 12.976) 13.873 15.272 ( -7.683 0.000 -8.823) 11.699 15.811 ( -3.747 0.000 7.943) 8.782 16.266 ( -8.913 0.000 1.566) 9.050 16.866 ( 4.462 -0.000 2.063) 4.916 17.113 ( 3.401 -0.000 10.580) 11.113 17.421 ( -0.210 0.000 -7.575) 7.578 17.692 ( -2.810 0.000 -6.135) 6.748 19.134 ( -12.007 0.000 7.415) 14.111 20.040 ( -6.397 0.000 -17.899) 19.008 20.823 ( 0.602 -0.000 17.295) 17.306 21.473 ( 1.328 -0.000 -7.351) 7.470 21.927 ( 9.489 -0.000 8.022) 12.425 22.388 ( 5.139 -0.000 -6.120) 7.992 22.801 ( 7.408 -0.000 11.870) 13.992 24.462 ( 4.295 -0.000 -30.799) 31.097 26.093 ( 17.402 -0.000 15.894) 23.568 26.551 ( 12.490 -0.000 -0.463) 12.498 ======================= Grid point 313 (118/192) ======================= q-point: (-0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( -1.120 5.834 2.792) 6.564 5.514 ( -15.402 0.616 -15.068) 21.555 5.695 ( -10.504 23.844 -6.175) 26.777 5.877 ( -12.041 1.009 -12.748) 17.564 6.307 ( -5.371 11.867 12.422) 17.999 6.457 ( 0.368 1.466 19.803) 19.861 6.644 ( -2.389 -13.793 15.442) 20.843 6.831 ( -12.778 -2.632 6.753) 14.691 7.209 ( -8.285 -8.850 -9.608) 15.468 7.612 ( -5.005 -13.407 -1.884) 14.434 7.692 ( -3.117 -1.500 7.533) 8.289 8.479 ( -7.995 11.035 -10.353) 17.114 8.735 ( -19.936 -3.759 2.581) 20.451 9.160 ( -17.175 -0.500 -4.200) 17.688 9.379 ( -1.160 -5.125 5.380) 7.520 9.722 ( 8.258 -4.087 -2.101) 9.451 10.354 ( -21.590 4.974 -2.419) 22.287 10.636 ( -15.820 0.127 -12.883) 20.402 10.977 ( -8.611 11.915 18.535) 23.657 11.313 ( -24.680 0.425 1.454) 24.726 11.796 ( -19.412 -6.317 1.093) 20.443 11.993 ( -13.214 1.472 -3.072) 13.646 12.027 ( -25.664 -6.332 -10.748) 28.536 12.511 ( 25.611 -0.608 12.122) 28.342 12.597 ( -1.392 -4.416 -0.428) 4.650 13.107 ( 12.186 -0.675 -1.174) 12.261 13.641 ( -6.462 4.312 -2.220) 8.080 13.740 ( -16.162 -5.698 -4.427) 17.700 13.806 ( -10.824 3.816 -4.228) 12.231 14.250 ( -6.333 1.235 5.460) 8.453 14.281 ( -1.337 -4.499 1.498) 4.927 14.737 ( -40.941 2.128 -7.191) 41.622 15.968 ( 17.752 4.228 9.136) 20.408 16.251 ( 6.600 -1.791 4.903) 8.415 17.013 ( 10.508 3.292 0.381) 11.018 17.211 ( 8.220 3.831 7.343) 11.668 17.440 ( 2.514 -1.324 -7.176) 7.718 17.702 ( 5.319 7.649 -4.742) 10.454 18.907 ( -15.081 -7.617 7.181) 18.358 19.910 ( -8.237 -2.345 -21.382) 23.033 20.816 ( -1.314 -0.305 19.981) 20.026 21.451 ( -4.203 -1.417 -4.356) 6.216 22.141 ( 12.772 1.178 5.172) 13.830 22.428 ( -1.398 -0.554 -1.965) 2.475 22.943 ( 7.945 0.478 8.241) 11.457 24.549 ( 3.819 -3.055 -29.561) 29.963 26.393 ( 14.890 0.824 13.117) 19.860 26.771 ( 11.297 0.137 -0.083) 11.298 ======================= Grid point 314 (119/192) ======================= q-point: (-0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.693 ( -7.795 16.001 -9.183) 20.027 5.061 ( -28.995 12.086 -9.503) 32.819 5.303 ( -10.438 13.450 -9.112) 19.310 5.715 ( -3.042 13.178 -12.145) 18.178 6.150 ( -0.968 16.140 10.985) 19.548 6.466 ( 0.671 -0.508 22.885) 22.900 6.551 ( -17.003 -12.204 11.135) 23.707 6.709 ( -5.075 -12.254 11.622) 17.635 7.158 ( -4.219 -11.525 -5.944) 13.636 7.594 ( -9.515 -18.924 -1.295) 21.221 7.717 ( 0.934 -5.410 2.363) 5.977 8.046 ( -20.803 23.492 8.807) 32.592 8.476 ( -11.077 -5.558 3.368) 12.842 8.992 ( -9.713 -2.691 -11.305) 15.146 9.310 ( -15.716 1.286 5.462) 16.688 9.647 ( -10.166 7.069 -0.162) 12.384 9.949 ( -17.805 1.071 -7.264) 19.260 10.245 ( -21.961 -2.296 -10.558) 24.475 10.782 ( -11.765 8.680 10.870) 18.219 10.799 ( -24.966 -1.532 6.746) 25.907 11.522 ( -6.522 0.016 -3.630) 7.464 11.738 ( -9.396 0.826 -2.606) 9.786 11.879 ( -5.975 -32.388 -5.157) 33.335 12.634 ( -0.387 -6.876 5.182) 8.619 13.004 ( 5.566 4.103 1.951) 7.184 13.081 ( -16.882 1.009 4.506) 17.502 13.321 ( -4.685 4.435 -4.699) 7.981 13.432 ( -10.901 -5.102 -4.514) 12.854 13.744 ( -7.153 13.031 5.126) 15.724 14.071 ( -14.051 -1.970 -0.400) 14.194 14.221 ( -0.422 -1.444 -4.581) 4.821 14.384 ( 6.291 -8.908 -4.158) 11.671 16.272 ( 19.309 9.638 6.998) 22.687 16.515 ( 20.568 2.114 4.985) 21.269 17.162 ( 8.727 4.720 0.695) 9.947 17.347 ( 10.433 8.187 4.464) 13.993 17.525 ( 3.892 -3.737 -4.273) 6.883 17.708 ( 2.993 16.832 -2.032) 17.217 18.715 ( -14.961 -18.382 5.648) 24.364 19.793 ( -6.039 -4.608 -24.629) 25.774 20.784 ( -2.590 -0.569 19.634) 19.813 21.339 ( -9.415 -2.471 -3.387) 10.307 22.243 ( -3.809 6.461 8.208) 11.119 22.462 ( 8.002 -5.603 2.171) 10.007 23.072 ( 6.071 0.957 4.079) 7.377 24.640 ( 2.074 -6.780 -29.972) 30.799 26.619 ( 10.894 3.050 11.462) 16.105 26.969 ( 9.634 -1.724 -0.228) 9.789 ======================= Grid point 315 (120/192) ======================= q-point: (-0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( -31.003 24.762 -4.682) 39.953 4.616 ( -10.179 17.951 -2.331) 20.767 5.045 ( -6.510 14.221 -16.053) 22.412 5.547 ( -3.444 13.782 -9.253) 16.953 6.046 ( 1.812 15.283 8.951) 17.804 6.351 ( -14.743 -16.372 5.591) 22.730 6.471 ( -0.217 -1.320 20.411) 20.455 6.751 ( 0.539 -8.275 5.681) 10.052 7.172 ( -5.699 -9.188 -3.113) 11.251 7.491 ( -13.428 20.727 12.244) 27.565 7.545 ( -12.058 -19.481 -0.332) 22.913 7.794 ( -2.359 -10.151 8.393) 13.381 8.365 ( -5.691 -5.801 5.816) 9.993 8.533 ( -17.826 35.172 -1.071) 39.446 9.121 ( -21.665 -6.901 -9.845) 24.777 9.254 ( -15.394 -4.739 -7.389) 17.721 9.567 ( -26.971 7.418 -3.572) 28.200 9.881 ( -17.023 -9.068 -7.339) 20.637 10.404 ( -12.339 1.166 14.626) 19.171 10.756 ( 4.184 -9.814 10.048) 14.655 11.381 ( -6.046 4.914 -7.619) 10.897 11.798 ( 8.942 -5.188 1.455) 10.440 12.120 ( 0.405 -42.225 -6.196) 42.680 12.356 ( -32.251 6.283 0.273) 32.859 12.472 ( -25.835 8.190 4.547) 27.481 12.906 ( -10.095 -11.323 0.136) 15.170 13.352 ( 12.132 6.826 -0.141) 13.921 13.480 ( -5.272 1.251 4.998) 7.372 13.671 ( 8.645 -2.442 1.125) 9.053 14.006 ( 1.483 2.068 -0.610) 2.617 14.281 ( 5.661 2.093 -7.036) 9.270 14.642 ( 13.049 -8.990 -3.578) 16.245 16.518 ( 15.927 14.521 5.975) 22.366 16.898 ( 22.338 9.397 -2.180) 24.332 17.304 ( 9.793 0.025 3.477) 10.392 17.459 ( 6.458 8.684 4.021) 11.545 17.519 ( -4.974 9.129 2.158) 10.618 17.654 ( 3.673 2.673 -3.836) 5.946 18.620 ( -11.131 -22.175 4.871) 25.285 19.782 ( 2.105 -2.590 -26.241) 26.453 20.709 ( -6.649 0.131 13.951) 15.455 21.144 ( -12.963 -1.886 -4.537) 13.863 22.063 ( -8.905 2.464 21.477) 23.380 22.681 ( 10.382 -2.644 2.129) 10.923 23.142 ( 2.113 1.087 1.081) 2.610 24.720 ( 0.001 -10.432 -31.588) 33.266 26.749 ( 6.653 5.724 10.926) 14.014 27.153 ( 7.730 -4.754 -1.346) 9.174 ======================= Grid point 316 (121/192) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -23.156 24.933 11.229) 35.832 4.201 ( -13.421 34.603 11.107) 38.741 4.976 ( 8.776 8.971 -26.720) 29.520 5.398 ( -4.531 13.165 -17.480) 22.348 5.994 ( 2.573 11.336 8.094) 14.165 6.217 ( -9.846 -9.413 2.178) 13.794 6.503 ( 2.001 -0.641 10.309) 10.521 6.761 ( -2.210 2.789 3.738) 5.161 6.945 ( -12.074 16.388 7.489) 21.689 7.215 ( -10.612 -4.421 17.732) 21.133 7.613 ( 8.226 -5.591 0.246) 9.949 7.824 ( -5.111 -20.355 1.822) 21.066 8.099 ( -8.371 12.986 -2.023) 15.582 8.325 ( -3.482 -3.243 3.456) 5.881 8.666 ( -18.465 4.947 -3.255) 19.391 8.894 ( -21.253 10.888 5.600) 24.527 9.258 ( -9.262 -8.080 -17.634) 21.495 9.740 ( -7.988 -20.406 -1.083) 21.940 10.248 ( -3.383 7.152 15.328) 17.249 10.975 ( 5.495 -19.852 10.090) 22.937 11.292 ( -0.145 4.248 -6.301) 7.601 11.770 ( -19.437 8.330 -1.047) 21.172 11.827 ( -18.776 7.806 -0.536) 20.341 12.088 ( 3.720 -3.651 3.158) 6.094 12.486 ( 2.027 -43.493 -4.817) 43.806 12.964 ( -0.879 -21.110 8.473) 22.764 13.372 ( -1.928 7.648 4.664) 9.163 13.428 ( 2.650 7.607 -1.396) 8.176 13.823 ( 4.556 -2.128 -3.606) 6.188 14.045 ( 2.717 0.340 -3.244) 4.245 14.378 ( 5.192 0.508 -1.940) 5.566 14.925 ( 10.584 -4.218 0.303) 11.398 16.643 ( 10.141 17.974 5.056) 21.248 17.147 ( 13.652 10.070 -9.575) 19.480 17.255 ( -10.647 1.824 3.338) 11.306 17.477 ( 0.013 7.993 3.310) 8.652 17.602 ( 14.904 1.822 3.408) 15.397 17.724 ( 2.766 -4.885 -4.686) 7.312 18.617 ( -5.189 -19.389 6.892) 21.222 19.884 ( 8.779 4.680 -25.317) 27.201 20.504 ( -14.707 1.644 5.456) 15.772 20.925 ( -9.983 -0.586 -5.973) 11.648 21.937 ( -3.755 -0.607 36.237) 36.437 22.851 ( 6.230 -0.600 2.629) 6.788 23.145 ( -0.519 0.644 -1.127) 1.398 24.796 ( -0.760 -13.635 -33.702) 36.364 26.790 ( 2.991 7.344 11.392) 13.880 27.314 ( 4.763 -7.036 -3.496) 9.187 ======================= Grid point 317 (122/192) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 0.000 26.678 22.545) 34.928 3.777 ( 0.000 40.220 14.966) 42.914 5.129 ( 0.000 13.994 -31.612) 34.571 5.148 ( 0.000 11.222 -20.259) 23.159 5.966 ( 0.000 6.088 9.272) 11.092 6.097 ( 0.000 17.310 6.111) 18.357 6.509 ( 0.000 0.348 -7.889) 7.896 6.660 ( 0.000 25.457 12.844) 28.514 6.743 ( -0.000 -4.519 12.077) 12.895 7.129 ( -0.000 -4.031 19.240) 19.658 7.726 ( 0.000 9.019 -7.073) 11.462 7.939 ( -0.000 -26.864 -3.871) 27.141 8.093 ( -0.000 -26.405 3.301) 26.611 8.227 ( 0.000 11.167 -8.152) 13.826 8.485 ( 0.000 0.429 -5.378) 5.395 8.622 ( 0.000 2.533 27.435) 27.552 9.193 ( -0.000 -1.032 -14.526) 14.563 9.851 ( -0.000 -28.275 -2.515) 28.386 10.156 ( 0.000 9.146 13.424) 16.243 11.183 ( -0.000 -21.396 10.531) 23.847 11.277 ( 0.000 2.460 -3.945) 4.649 11.490 ( 0.000 8.622 1.139) 8.697 11.586 ( 0.000 9.743 -0.972) 9.792 12.182 ( -0.000 -5.256 3.664) 6.407 12.776 ( -0.000 -27.144 -9.317) 28.698 13.149 ( -0.000 -32.534 10.502) 34.187 13.293 ( 0.000 10.558 1.717) 10.697 13.403 ( 0.000 0.105 1.450) 1.454 13.876 ( -0.000 -1.587 -4.220) 4.509 14.073 ( -0.000 -0.308 -6.214) 6.222 14.438 ( -0.000 -2.248 2.725) 3.533 15.041 ( -0.000 -0.039 6.736) 6.736 16.612 ( 0.000 20.803 5.296) 21.466 17.135 ( -0.000 -0.835 2.612) 2.742 17.249 ( 0.000 11.669 -6.336) 13.278 17.405 ( -0.000 -0.336 -3.433) 3.449 17.738 ( 0.000 3.934 0.231) 3.940 17.795 ( -0.000 -4.090 -3.089) 5.126 18.701 ( -0.000 -18.657 5.479) 19.445 19.955 ( 0.000 13.074 -28.461) 31.320 20.282 ( -0.000 -0.477 6.158) 6.177 20.831 ( -0.000 -0.498 -6.154) 6.174 21.916 ( -0.000 -2.074 43.415) 43.464 22.909 ( 0.000 0.321 2.956) 2.974 23.134 ( 0.000 0.215 -2.118) 2.129 24.893 ( -0.000 -15.735 -35.352) 38.695 26.762 ( 0.000 7.975 12.485) 14.815 27.414 ( -0.000 -7.615 -5.925) 9.649 ======================= Grid point 328 (123/192) ======================= q-point: (-0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( -3.257 0.000 -11.211) 11.675 5.128 ( -30.911 0.000 -14.860) 34.298 5.432 ( -16.107 0.000 -3.626) 16.510 5.819 ( 1.293 -0.000 -12.730) 12.796 6.301 ( -3.695 0.000 11.440) 12.022 6.421 ( -1.819 0.000 29.568) 29.624 6.501 ( -17.647 0.000 11.476) 21.050 6.574 ( -3.059 0.000 6.220) 6.931 7.080 ( -2.058 0.000 -7.076) 7.370 7.432 ( -8.871 0.000 -2.562) 9.233 7.678 ( 0.524 -0.000 4.491) 4.521 8.286 ( -24.250 0.000 11.134) 26.684 8.421 ( -6.706 0.000 -2.329) 7.099 8.852 ( -9.457 0.000 -7.109) 11.831 9.387 ( -6.626 0.000 7.300) 9.859 9.695 ( -12.445 0.000 -1.266) 12.509 9.961 ( -15.758 0.000 -6.036) 16.874 10.226 ( -28.079 0.000 -13.452) 31.135 10.781 ( -29.132 0.000 5.189) 29.591 10.981 ( -0.205 0.000 18.039) 18.040 11.382 ( -20.256 0.000 0.056) 20.256 11.646 ( -3.370 0.000 -12.664) 13.105 11.758 ( -12.595 0.000 -2.243) 12.793 12.583 ( 1.074 -0.000 4.118) 4.255 13.037 ( 25.552 -0.000 10.143) 27.492 13.084 ( -35.032 0.000 -1.895) 35.083 13.346 ( 9.474 -0.000 -0.847) 9.512 13.406 ( -21.594 0.000 -9.208) 23.475 13.928 ( -33.626 0.000 8.712) 34.736 13.961 ( 7.666 -0.000 -0.139) 7.668 14.241 ( 6.625 -0.000 -10.120) 12.096 14.300 ( 0.570 -0.000 -6.284) 6.310 16.346 ( 19.940 -0.000 8.097) 21.521 16.525 ( 21.977 -0.000 6.302) 22.863 17.197 ( 7.610 -0.000 -0.039) 7.610 17.415 ( 10.927 -0.000 6.909) 12.928 17.485 ( 2.679 -0.000 -5.912) 6.491 17.853 ( 5.028 -0.000 -4.542) 6.775 18.560 ( -17.771 0.000 8.045) 19.507 19.761 ( -5.455 0.000 -25.336) 25.917 20.780 ( -2.441 0.000 20.716) 20.859 21.321 ( -9.138 0.000 -2.724) 9.535 22.313 ( -9.796 0.000 5.461) 11.215 22.400 ( 13.864 -0.000 2.857) 14.155 23.080 ( 6.046 -0.000 3.901) 7.196 24.591 ( 1.814 -0.000 -29.240) 29.296 26.642 ( 11.642 -0.000 10.954) 15.985 26.954 ( 8.533 -0.000 0.149) 8.534 ======================= Grid point 330 (124/192) ======================= q-point: (-0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( -36.625 10.493 -3.438) 38.253 4.769 ( -0.734 4.363 -18.437) 18.960 5.215 ( -7.828 7.433 -8.029) 13.453 5.748 ( -5.773 15.002 -3.411) 16.432 6.067 ( -17.113 -19.789 13.128) 29.271 6.298 ( 0.593 18.993 5.005) 19.651 6.485 ( 0.286 1.387 20.696) 20.744 6.570 ( 1.675 -16.383 1.929) 16.581 7.089 ( 0.689 -1.136 -2.569) 2.892 7.294 ( -10.334 -12.634 -0.845) 16.344 7.653 ( -6.027 -1.430 -6.738) 9.153 7.821 ( -17.377 12.711 22.797) 31.357 8.300 ( -6.479 -2.895 7.909) 10.626 8.794 ( -6.177 -5.784 -13.024) 15.532 9.005 ( -21.364 6.589 5.243) 22.964 9.298 ( -26.829 2.794 -3.513) 27.202 9.698 ( -22.449 7.066 -3.841) 23.846 9.802 ( -12.283 -2.636 -12.096) 17.439 10.412 ( -7.427 -0.516 16.745) 18.325 10.812 ( -4.287 21.041 7.611) 22.782 11.267 ( -9.132 -30.788 -0.658) 32.121 11.598 ( -4.614 -10.569 5.180) 12.642 11.792 ( 11.498 -2.420 -12.366) 17.059 12.416 ( -32.659 2.119 0.098) 32.728 12.579 ( -8.070 5.732 6.768) 11.991 12.783 ( -30.732 -5.937 -6.278) 31.924 13.399 ( 9.648 1.077 2.757) 10.092 13.520 ( 6.235 1.986 -1.567) 6.729 13.655 ( 3.068 -0.047 10.200) 10.651 14.037 ( 2.454 1.553 -0.291) 2.918 14.329 ( 4.972 3.986 -7.868) 10.125 14.514 ( 15.553 -7.428 -13.958) 22.179 16.668 ( 16.507 5.913 8.452) 19.464 16.988 ( 26.509 3.047 2.950) 26.846 17.296 ( 3.322 -0.359 0.217) 3.349 17.530 ( 3.079 -0.452 -3.216) 4.475 17.547 ( 0.708 1.715 3.566) 4.020 17.794 ( -5.933 10.173 -2.537) 12.047 18.353 ( -8.075 -13.005 10.114) 18.348 19.761 ( 5.516 -0.642 -26.774) 27.344 20.711 ( -5.745 0.164 15.377) 16.416 21.124 ( -11.992 -0.762 -3.262) 12.451 22.098 ( -10.976 1.635 17.144) 20.422 22.651 ( 12.103 -1.283 2.122) 12.355 23.152 ( 1.877 0.406 0.960) 2.147 24.616 ( -0.395 -3.803 -30.090) 30.331 26.815 ( 7.853 2.876 9.447) 12.617 27.094 ( 5.836 -2.759 0.048) 6.456 ======================= Grid point 331 (125/192) ======================= q-point: (-0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -25.661 14.018 11.569) 31.446 4.653 ( -4.942 27.643 -3.116) 28.253 5.062 ( 3.045 2.568 -20.380) 20.766 5.555 ( -6.438 9.317 -13.195) 17.389 5.979 ( -8.354 -19.534 4.984) 21.821 6.172 ( -0.514 13.076 4.747) 13.920 6.522 ( 4.589 3.132 11.572) 12.836 6.718 ( 0.903 -8.115 8.678) 11.915 7.045 ( -4.313 -1.961 3.784) 6.064 7.215 ( -9.478 -0.152 -2.549) 9.816 7.477 ( -3.082 -4.765 -2.021) 6.024 7.624 ( -4.817 -6.685 17.692) 19.517 8.242 ( -3.861 -7.288 11.559) 14.200 8.423 ( -15.508 23.278 2.609) 28.092 8.711 ( -18.233 0.400 -10.034) 20.815 9.014 ( -5.139 -11.814 -8.988) 15.708 9.249 ( -12.901 23.009 2.565) 26.503 9.576 ( -10.608 -4.203 -7.877) 13.866 10.357 ( -0.197 8.320 17.519) 19.395 10.750 ( 1.943 -8.809 6.579) 11.165 11.303 ( -0.927 -8.521 -9.052) 12.466 11.721 ( -3.842 -27.606 10.982) 29.958 11.905 ( -18.186 4.099 -1.174) 18.679 11.988 ( -3.432 -5.692 -12.437) 14.102 12.069 ( -11.208 1.781 4.154) 12.085 12.726 ( -1.051 -13.677 8.386) 16.078 13.432 ( -0.526 3.009 3.850) 4.914 13.575 ( 4.159 8.516 -1.393) 9.580 13.795 ( 5.727 -1.650 0.773) 6.010 14.067 ( 2.349 2.279 -1.795) 3.733 14.398 ( 4.232 1.852 -5.532) 7.207 14.847 ( 13.210 -5.846 -12.907) 19.372 16.854 ( 10.062 11.131 7.139) 16.617 17.228 ( -3.439 1.328 0.366) 3.704 17.333 ( 2.799 9.048 -3.415) 10.067 17.552 ( -0.398 2.169 2.392) 3.254 17.593 ( 9.014 -2.940 0.141) 9.483 17.659 ( -1.538 -3.414 -6.178) 7.225 18.396 ( 1.066 -10.955 15.155) 18.730 19.938 ( 13.023 2.605 -23.437) 26.938 20.529 ( -13.706 1.576 4.364) 14.470 20.918 ( -9.514 -0.389 -5.200) 10.849 21.942 ( -4.363 0.769 31.832) 32.138 22.843 ( 7.375 -0.478 2.536) 7.813 23.152 ( -0.989 0.371 -1.142) 1.556 24.640 ( -1.175 -7.844 -31.723) 32.699 26.888 ( 3.659 6.108 9.031) 11.500 27.214 ( 3.401 -6.463 -0.820) 7.349 ======================= Grid point 332 (126/192) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 0.000 18.333 20.332) 27.377 4.329 ( 0.000 36.749 6.264) 37.279 5.232 ( 0.000 1.168 -20.915) 20.948 5.306 ( 0.000 10.132 -28.746) 30.479 6.055 ( -0.000 -15.289 6.867) 16.760 6.086 ( 0.000 10.548 5.353) 11.828 6.536 ( 0.000 3.495 -7.662) 8.422 6.727 ( -0.000 -1.238 26.910) 26.938 6.998 ( 0.000 21.273 -4.045) 21.654 7.057 ( -0.000 -6.573 15.645) 16.970 7.556 ( -0.000 -25.005 -0.951) 25.023 7.757 ( -0.000 -19.318 7.551) 20.742 8.039 ( 0.000 28.394 0.851) 28.407 8.261 ( -0.000 -5.230 8.823) 10.257 8.514 ( 0.000 2.363 -7.360) 7.730 8.859 ( 0.000 28.612 7.578) 29.599 9.122 ( -0.000 -10.022 -15.145) 18.161 9.538 ( -0.000 -13.078 -1.524) 13.167 10.286 ( 0.000 9.385 15.689) 18.282 10.886 ( -0.000 -18.429 8.442) 20.271 11.346 ( 0.000 3.261 -10.381) 10.881 11.589 ( 0.000 5.207 1.300) 5.367 11.697 ( 0.000 5.928 -1.105) 6.030 12.098 ( -0.000 -16.265 16.287) 23.018 12.172 ( -0.000 -35.525 -12.570) 37.683 12.826 ( -0.000 -16.448 8.975) 18.737 13.394 ( 0.000 5.377 4.810) 7.214 13.541 ( 0.000 11.503 -2.372) 11.745 13.855 ( -0.000 -1.246 -2.922) 3.177 14.079 ( 0.000 1.359 -2.911) 3.212 14.433 ( 0.000 0.820 -3.019) 3.128 15.013 ( -0.000 -3.657 -7.441) 8.291 16.871 ( 0.000 15.162 6.247) 16.398 17.125 ( -0.000 -0.570 2.674) 2.734 17.396 ( 0.000 9.279 -7.249) 11.775 17.401 ( -0.000 -0.231 -3.507) 3.514 17.706 ( -0.000 -5.942 -3.411) 6.851 17.765 ( -0.000 -2.230 -0.409) 2.267 18.485 ( -0.000 -10.910 15.441) 18.906 20.121 ( 0.000 9.552 -27.802) 29.397 20.276 ( -0.000 -0.322 6.168) 6.176 20.825 ( -0.000 -0.337 -6.139) 6.148 21.905 ( 0.000 0.215 39.078) 39.078 22.913 ( 0.000 0.216 2.935) 2.943 23.137 ( 0.000 0.145 -2.109) 2.114 24.696 ( -0.000 -11.394 -33.139) 35.044 26.872 ( 0.000 7.382 9.859) 12.316 27.300 ( -0.000 -8.060 -2.314) 8.386 ======================= Grid point 345 (127/192) ======================= q-point: (-0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( -26.724 0.000 11.761) 29.197 4.901 ( 11.459 -0.000 -23.363) 26.022 5.052 ( -12.270 0.000 -6.373) 13.827 5.672 ( -15.199 0.000 -17.270) 23.005 5.763 ( 0.010 -0.000 16.893) 16.893 6.303 ( -4.575 0.000 1.754) 4.899 6.585 ( 4.518 -0.000 -4.380) 6.292 6.590 ( 7.767 -0.000 27.049) 28.142 7.029 ( -10.383 0.000 4.135) 11.176 7.151 ( 3.928 -0.000 -5.445) 6.714 7.478 ( -11.747 0.000 -12.922) 17.463 7.611 ( -8.293 0.000 22.858) 24.316 8.171 ( -5.530 0.000 16.687) 17.580 8.654 ( -15.817 0.000 13.646) 20.890 8.685 ( -9.958 0.000 -15.035) 18.033 8.858 ( -11.986 0.000 -7.663) 14.226 9.491 ( -7.012 0.000 -2.145) 7.332 9.554 ( -10.713 0.000 -11.133) 15.450 10.424 ( 3.440 -0.000 19.801) 20.098 10.812 ( -7.999 0.000 -0.366) 8.007 11.003 ( 0.551 -0.000 3.815) 3.854 11.541 ( 2.442 -0.000 6.114) 6.584 11.937 ( -18.658 0.000 -0.701) 18.671 11.983 ( 5.364 -0.000 -12.278) 13.398 12.108 ( -25.970 0.000 -0.836) 25.983 12.611 ( 0.305 -0.000 11.001) 11.005 13.455 ( 0.395 -0.000 2.692) 2.720 13.638 ( 3.738 -0.000 -2.646) 4.580 13.782 ( 6.617 -0.000 5.605) 8.672 14.088 ( 2.046 -0.000 -1.404) 2.482 14.416 ( 3.377 -0.000 -5.321) 6.302 14.797 ( 14.756 -0.000 -20.144) 24.970 16.938 ( 9.973 -0.000 8.637) 13.193 17.234 ( -8.017 0.000 2.842) 8.506 17.427 ( 10.789 -0.000 -3.674) 11.397 17.548 ( -0.065 0.000 -2.789) 2.790 17.554 ( 5.175 -0.000 0.834) 5.241 17.640 ( -8.119 0.000 -6.370) 10.320 18.317 ( 5.181 -0.000 19.374) 20.055 19.956 ( 14.138 -0.000 -22.557) 26.622 20.541 ( -13.201 0.000 3.717) 13.714 20.915 ( -9.287 0.000 -4.915) 10.507 21.949 ( -4.728 0.000 30.205) 30.573 22.839 ( 7.872 -0.000 2.496) 8.258 23.155 ( -1.164 0.000 -1.144) 1.632 24.582 ( -1.351 0.000 -30.940) 30.969 26.941 ( 4.282 -0.000 7.924) 9.007 27.158 ( 2.574 -0.000 0.310) 2.592 ======================= Grid point 347 (128/192) ======================= q-point: (-0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 0.000 6.592 19.313) 20.407 4.796 ( 0.000 26.638 -2.909) 26.796 5.167 ( -0.000 -10.570 -19.810) 22.454 5.404 ( 0.000 3.474 -26.736) 26.961 5.845 ( -0.000 -9.839 11.885) 15.429 6.236 ( 0.000 8.054 2.777) 8.520 6.592 ( 0.000 3.010 -7.322) 7.917 6.691 ( -0.000 -2.212 33.366) 33.439 6.955 ( -0.000 -5.663 8.552) 10.257 7.252 ( 0.000 11.676 -19.048) 22.342 7.276 ( -0.000 -12.089 0.356) 12.095 7.573 ( -0.000 -6.340 14.543) 15.865 8.135 ( -0.000 -6.276 17.543) 18.632 8.418 ( 0.000 18.948 11.700) 22.270 8.539 ( 0.000 0.923 -7.955) 8.008 8.863 ( -0.000 -15.831 -11.787) 19.737 9.338 ( 0.000 23.617 -0.312) 23.619 9.458 ( -0.000 -1.206 -8.567) 8.651 10.427 ( 0.000 8.295 18.241) 20.039 10.722 ( -0.000 -0.585 3.530) 3.578 11.154 ( -0.000 -29.713 -3.672) 29.939 11.638 ( 0.000 1.741 1.386) 2.225 11.740 ( -0.000 -5.463 6.049) 8.150 11.754 ( 0.000 1.990 -1.174) 2.311 12.090 ( -0.000 -1.086 -7.098) 7.180 12.643 ( -0.000 -7.848 11.056) 13.558 13.450 ( 0.000 2.195 2.890) 3.629 13.656 ( 0.000 4.115 -2.128) 4.632 13.845 ( -0.000 -0.165 1.896) 1.904 14.103 ( 0.000 1.371 -1.720) 2.200 14.448 ( 0.000 0.813 -4.652) 4.723 14.959 ( -0.000 -2.710 -19.459) 19.647 17.028 ( 0.000 6.218 8.082) 10.197 17.119 ( -0.000 -0.202 2.708) 2.715 17.399 ( -0.000 -0.082 -3.547) 3.548 17.517 ( 0.000 7.435 -5.847) 9.458 17.620 ( -0.000 -5.644 -5.074) 7.590 17.712 ( -0.000 -3.650 -1.262) 3.862 18.391 ( -0.000 -2.938 21.679) 21.877 20.215 ( 0.000 3.412 -27.689) 27.899 20.273 ( -0.000 -0.113 6.173) 6.174 20.822 ( -0.000 -0.119 -6.130) 6.131 21.912 ( 0.000 0.375 36.616) 36.618 22.915 ( 0.000 0.076 2.923) 2.924 23.138 ( 0.000 0.051 -2.104) 2.104 24.582 ( -0.000 -4.202 -31.734) 32.011 26.963 ( 0.000 4.592 7.744) 9.004 27.200 ( -0.000 -4.967 -0.002) 4.967 ======================= Grid point 462 (129/192) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 0.000 50.815) 50.815 2.415 ( 0.000 0.000 55.548) 55.548 3.085 ( 0.000 0.000 -17.307) 17.307 3.518 ( 0.000 0.000 -50.575) 50.575 3.981 ( 0.000 0.000 48.754) 48.754 5.374 ( 0.000 0.000 -66.790) 66.790 6.340 ( 0.000 0.000 12.761) 12.761 6.487 ( 0.000 0.000 -2.173) 2.173 7.120 ( 0.000 0.000 39.922) 39.922 7.646 ( 0.000 0.000 -0.344) 0.344 7.671 ( 0.000 0.000 -2.813) 2.813 7.893 ( 0.000 0.000 -33.078) 33.078 8.471 ( 0.000 0.000 20.581) 20.581 8.917 ( 0.000 0.000 -21.730) 21.730 9.915 ( 0.000 0.000 3.322) 3.322 9.945 ( 0.000 0.000 23.687) 23.687 9.993 ( 0.000 0.000 -3.961) 3.961 10.450 ( 0.000 0.000 -24.278) 24.278 10.492 ( 0.000 0.000 2.014) 2.014 10.527 ( 0.000 0.000 -1.288) 1.288 11.175 ( 0.000 0.000 30.106) 30.106 11.773 ( 0.000 0.000 -23.747) 23.747 12.224 ( 0.000 0.000 2.618) 2.618 12.383 ( 0.000 0.000 -15.536) 15.536 12.794 ( 0.000 0.000 27.960) 27.960 13.318 ( 0.000 0.000 -20.971) 20.971 13.720 ( 0.000 0.000 10.402) 10.402 13.965 ( 0.000 0.000 -12.444) 12.444 14.537 ( 0.000 0.000 10.118) 10.118 14.734 ( 0.000 0.000 -8.223) 8.223 15.280 ( 0.000 0.000 19.464) 19.464 15.620 ( 0.000 0.000 -12.069) 12.069 16.062 ( 0.000 0.000 11.604) 11.604 16.205 ( 0.000 0.000 -3.081) 3.081 17.008 ( 0.000 0.000 10.969) 10.969 17.251 ( 0.000 0.000 4.048) 4.048 17.341 ( 0.000 0.000 -19.952) 19.952 17.343 ( 0.000 0.000 -4.507) 4.507 19.445 ( 0.000 0.000 15.183) 15.183 19.730 ( 0.000 0.000 -11.861) 11.861 20.480 ( 0.000 0.000 9.730) 9.730 20.689 ( 0.000 0.000 -9.793) 9.793 22.970 ( 0.000 0.000 4.361) 4.361 23.058 ( 0.000 0.000 -3.828) 3.828 24.682 ( 0.000 0.000 11.229) 11.229 24.934 ( 0.000 0.000 -12.490) 12.490 26.128 ( 0.000 0.000 4.772) 4.772 26.212 ( 0.000 0.000 -3.270) 3.270 ======================= Grid point 463 (130/192) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -7.108 -6.555 46.076) 47.080 2.349 ( 10.506 -15.594 41.316) 45.394 3.336 ( -10.863 -2.872 -42.332) 43.798 3.415 ( 16.503 -8.975 -37.490) 41.933 4.439 ( 42.181 -8.499 65.232) 78.145 5.799 ( 33.816 -4.524 -58.336) 67.580 6.320 ( 0.530 1.157 11.874) 11.942 6.475 ( -1.349 0.303 -0.969) 1.689 7.110 ( 0.696 1.079 29.551) 29.579 7.508 ( -7.975 3.327 -9.252) 12.660 7.814 ( 14.272 -3.453 5.162) 15.565 8.158 ( 21.743 3.516 -24.813) 33.178 8.414 ( -4.375 1.733 18.565) 19.152 8.861 ( -5.115 2.674 -23.248) 23.953 9.770 ( -7.970 11.474 5.926) 15.175 9.826 ( -7.807 14.285 -0.300) 16.282 10.038 ( 7.721 -6.508 12.335) 15.941 10.297 ( -3.437 -8.163 -9.613) 13.071 10.815 ( 26.462 -2.827 6.614) 27.422 10.964 ( 27.884 -2.492 -8.519) 29.263 11.103 ( -2.905 7.968 31.300) 32.429 11.793 ( 1.896 10.770 -30.639) 32.532 12.254 ( 2.906 1.077 1.897) 3.633 12.346 ( -1.450 0.094 -9.457) 9.568 12.732 ( -4.831 -0.999 26.169) 26.630 13.241 ( -6.863 1.828 -20.894) 22.068 13.702 ( -0.903 1.969 11.100) 11.310 13.945 ( -0.476 3.421 -11.349) 11.863 14.508 ( -2.049 3.775 11.424) 12.205 14.712 ( -1.952 1.406 -8.146) 8.494 15.208 ( -6.150 3.772 16.643) 18.139 15.382 ( -25.100 5.303 5.559) 26.249 16.020 ( -11.534 -13.692 7.001) 19.222 16.131 ( -21.203 -6.679 -1.313) 22.269 16.215 ( -39.487 0.367 13.076) 41.598 16.439 ( -40.491 -8.079 -7.189) 41.910 17.435 ( -2.245 -0.953 5.956) 6.436 17.619 ( -1.221 -0.637 -11.288) 11.372 19.847 ( 29.532 12.549 0.429) 32.091 19.951 ( 20.466 1.296 -8.652) 22.257 20.628 ( 14.184 0.446 7.458) 16.031 20.801 ( 10.539 0.485 -8.992) 13.862 22.938 ( -3.519 0.023 3.995) 5.324 23.018 ( -4.279 0.108 -3.522) 5.543 24.577 ( 6.511 35.746 21.694) 42.318 25.042 ( 6.233 1.464 -24.103) 24.939 26.164 ( -4.116 -18.882 4.119) 19.760 26.243 ( -3.023 -15.527 -3.320) 16.163 ======================= Grid point 464 (131/192) ======================= q-point: ( 0.13 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 27.141 -11.384 23.288) 37.530 2.772 ( 20.120 -22.105 17.094) 34.433 3.331 ( 8.849 -8.348 -15.177) 19.451 3.822 ( 19.273 -12.815 -39.742) 45.990 5.397 ( 46.751 -13.900 57.986) 75.771 6.077 ( -5.208 -2.842 12.872) 14.173 6.425 ( -3.633 0.203 1.200) 3.831 6.678 ( 27.925 -6.045 -41.092) 50.049 7.167 ( 6.512 -0.063 16.561) 17.795 7.430 ( 5.032 3.939 -10.630) 12.403 8.117 ( 13.991 2.900 10.948) 18.001 8.322 ( -0.650 2.151 8.623) 8.911 8.550 ( 20.289 8.006 -18.299) 28.470 8.743 ( -0.229 3.000 -19.812) 20.039 9.580 ( -5.799 8.604 3.269) 10.878 9.617 ( 0.809 6.600 -1.608) 6.842 10.338 ( 10.356 0.406 12.022) 15.873 10.384 ( 10.416 -4.118 7.676) 13.578 10.853 ( 3.415 8.925 17.922) 20.311 11.401 ( 7.900 8.777 -16.786) 20.524 11.577 ( 30.759 -2.898 0.062) 30.895 11.669 ( 12.704 3.377 -16.818) 21.346 12.210 ( -7.004 0.774 9.314) 11.679 12.365 ( 0.175 0.725 -7.056) 7.095 12.769 ( 10.574 3.920 13.062) 17.257 13.113 ( -1.509 4.753 -16.509) 17.245 13.673 ( 0.374 3.811 12.789) 13.350 13.918 ( 1.504 5.941 -8.906) 10.811 14.359 ( -9.599 11.751 20.542) 25.538 14.632 ( -2.587 9.717 -7.981) 12.838 14.879 ( -23.015 -21.483 18.468) 36.500 15.052 ( -9.707 -4.734 8.995) 14.055 15.592 ( -25.035 -4.880 1.122) 25.531 15.631 ( -23.947 5.752 -8.467) 26.043 15.975 ( -14.969 -20.260 5.221) 25.725 16.125 ( -11.428 -12.441 -6.568) 18.125 17.317 ( -9.086 -2.351 8.151) 12.431 17.511 ( -8.440 -1.387 -10.172) 13.290 20.169 ( 16.804 12.876 1.738) 21.241 20.269 ( 14.878 8.023 -8.084) 18.737 20.900 ( 13.787 1.986 3.099) 14.270 20.989 ( 9.233 0.470 -5.460) 10.737 22.840 ( -6.863 0.422 2.949) 7.481 22.899 ( -8.164 0.657 -2.525) 8.571 24.440 ( 6.373 37.865 28.739) 47.961 25.058 ( 1.836 15.219 -30.614) 34.237 26.216 ( -6.924 -23.296 3.866) 24.609 26.291 ( -7.302 -22.498 -3.013) 23.845 ======================= Grid point 465 (132/192) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 38.141 -11.445 11.035) 41.322 3.406 ( 31.943 -19.472 -0.303) 37.412 3.725 ( 23.793 -9.419 9.266) 27.216 4.303 ( 22.545 -11.206 -34.878) 43.016 5.935 ( -8.338 -5.962 27.414) 29.267 6.219 ( 18.489 -17.088 16.608) 30.160 6.374 ( 2.607 -5.417 14.423) 15.625 6.976 ( 3.582 -6.788 -23.549) 24.768 7.358 ( 11.583 -3.426 13.413) 18.050 7.649 ( 13.522 2.225 -13.672) 19.357 8.189 ( 3.152 9.171 4.415) 10.655 8.322 ( 1.178 8.317 -2.260) 8.698 8.800 ( 18.810 0.438 -2.964) 19.047 8.997 ( 24.694 5.183 -15.193) 29.453 9.576 ( 8.924 0.894 8.980) 12.692 9.744 ( 13.217 2.454 -6.459) 14.914 10.170 ( -4.774 11.468 23.812) 26.857 10.772 ( 8.692 5.350 -23.987) 26.068 11.152 ( 15.260 5.888 -2.522) 16.550 11.197 ( 18.673 3.813 -6.851) 20.252 11.750 ( -12.891 2.292 18.586) 22.734 12.120 ( 2.194 4.875 -15.195) 16.108 12.309 ( 18.076 -7.018 2.409) 19.540 12.363 ( 9.986 -6.996 -4.020) 12.838 12.941 ( 14.077 17.064 8.998) 23.881 13.179 ( 14.262 11.455 -11.291) 21.497 13.647 ( -1.123 5.663 14.572) 15.674 13.902 ( 0.482 6.168 -8.742) 10.710 14.083 ( -10.290 3.713 26.083) 28.285 14.485 ( -3.815 12.099 -10.791) 16.655 14.846 ( 1.079 -20.702 11.164) 23.545 15.052 ( 3.665 -14.319 5.443) 15.751 15.207 ( -15.984 -3.126 -6.226) 17.436 15.309 ( -11.018 -0.673 0.995) 11.083 15.864 ( -12.165 -20.665 3.720) 24.267 16.030 ( -7.393 -10.552 -8.685) 15.538 17.184 ( -7.239 -3.791 8.433) 11.743 17.375 ( -7.158 -2.298 -9.678) 12.255 20.298 ( 7.659 13.915 2.662) 16.105 20.394 ( 6.216 10.373 -6.507) 13.732 21.046 ( 4.613 2.436 4.528) 6.908 21.159 ( 8.227 -1.065 -6.367) 10.458 22.679 ( -9.836 1.121 1.773) 10.057 22.713 ( -11.042 1.149 -1.261) 11.173 24.255 ( 0.659 33.087 30.149) 44.768 24.907 ( -4.932 17.837 -31.771) 36.767 26.231 ( -8.717 -21.315 3.160) 23.245 26.278 ( -10.622 -20.298 -0.809) 22.924 ======================= Grid point 466 (133/192) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 34.588 -10.882 11.789) 38.127 4.155 ( 33.375 -14.250 -2.396) 36.369 4.249 ( 26.083 -4.392 14.249) 30.044 4.772 ( 20.871 -5.088 -28.035) 35.320 5.805 ( -9.405 -7.223 24.421) 27.148 6.241 ( -7.283 -5.887 -13.858) 16.726 6.785 ( 14.775 -23.262 18.115) 32.978 7.124 ( 6.604 -13.748 -12.861) 19.950 7.575 ( 6.049 -9.553 10.121) 15.175 7.747 ( 0.051 0.296 -5.010) 5.019 8.194 ( 5.519 9.265 3.240) 11.260 8.305 ( 4.642 9.345 -5.157) 11.639 9.214 ( 23.387 -0.001 7.433) 24.540 9.481 ( 26.878 6.950 -13.428) 30.838 9.721 ( 4.043 3.511 10.731) 11.993 9.929 ( 10.764 4.116 -1.571) 11.630 10.238 ( 16.062 5.941 7.015) 18.507 10.681 ( 7.239 14.125 -28.401) 32.535 11.401 ( -16.004 0.428 19.335) 25.103 11.590 ( 21.035 1.603 5.436) 21.785 11.655 ( 18.123 4.010 -7.219) 19.915 11.926 ( -5.548 1.865 -19.151) 20.025 12.512 ( 2.886 -1.544 2.290) 3.994 12.579 ( 3.740 0.552 -3.988) 5.495 13.043 ( 6.646 19.293 10.568) 22.980 13.299 ( 3.615 17.851 -12.678) 22.191 13.546 ( -5.334 0.464 15.943) 16.818 13.808 ( -9.429 -4.036 -4.921) 11.376 14.070 ( 13.401 3.602 17.071) 22.000 14.414 ( 3.421 2.132 -9.284) 10.121 14.996 ( -2.409 3.256 7.798) 8.787 15.093 ( 3.825 -5.811 -3.180) 7.649 15.294 ( 16.750 -14.064 13.850) 25.888 15.458 ( 15.767 -21.553 -1.234) 26.733 15.874 ( 2.053 -16.177 -1.246) 16.354 16.027 ( 1.599 -5.918 -11.114) 12.693 17.103 ( -4.722 -4.362 8.287) 10.488 17.285 ( -4.660 -2.869 -8.867) 10.420 20.267 ( 0.155 13.923 3.426) 14.339 20.369 ( -0.260 10.610 -6.364) 12.375 21.081 ( 0.810 0.713 8.747) 8.813 21.276 ( 3.421 -1.074 -9.989) 10.613 22.467 ( -11.672 2.139 1.265) 11.934 22.488 ( -11.862 1.163 -0.651) 11.937 23.992 ( -6.218 26.016 29.306) 39.678 24.637 ( -11.201 15.280 -31.742) 36.966 26.193 ( -12.486 -18.048 2.370) 22.074 26.200 ( -8.969 -14.796 1.473) 17.365 ======================= Grid point 467 (134/192) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 24.317 -5.581 16.136) 29.712 4.709 ( 21.390 -4.187 17.354) 27.861 4.797 ( 25.589 -8.506 -5.418) 27.504 5.127 ( 15.010 -1.748 -19.898) 24.986 5.722 ( -3.476 -4.820 14.008) 15.216 6.126 ( -9.159 -5.927 -19.380) 22.239 7.199 ( 11.385 -20.139 11.716) 25.932 7.346 ( 4.387 -10.747 -1.458) 11.699 7.727 ( 1.595 -6.948 2.229) 7.469 7.808 ( 4.996 -24.452 -5.124) 25.478 8.296 ( 12.597 7.178 3.587) 14.935 8.365 ( 8.369 7.475 -2.645) 11.528 9.532 ( 11.556 6.698 13.083) 18.696 9.696 ( 12.074 11.115 1.297) 16.463 9.895 ( 5.813 8.920 -8.566) 13.665 9.933 ( 5.798 7.831 -14.983) 17.873 10.645 ( 24.632 5.134 11.835) 27.806 10.850 ( 10.544 4.111 -4.669) 12.243 11.112 ( -12.644 -2.743 18.359) 22.460 11.511 ( -10.932 -0.803 -19.722) 22.564 11.888 ( 8.223 8.768 3.966) 12.658 12.115 ( 11.754 3.041 -17.012) 20.901 12.540 ( 1.868 4.419 3.758) 6.094 12.630 ( 3.369 1.145 -4.141) 5.460 12.904 ( -0.654 16.862 8.205) 18.764 13.088 ( -6.377 21.498 -9.086) 24.195 13.438 ( -9.503 -7.620 14.539) 18.967 13.680 ( -9.689 -12.272 -4.507) 16.272 14.311 ( 8.389 3.020 7.552) 11.684 14.561 ( 10.264 -3.321 -9.227) 14.196 15.033 ( 8.791 2.712 12.627) 15.623 15.191 ( 3.753 -5.905 -5.113) 8.666 15.817 ( 17.501 -10.457 15.500) 25.610 15.902 ( 23.730 -22.144 11.409) 34.404 16.194 ( 14.358 -0.134 -12.127) 18.794 16.281 ( 28.594 -7.730 -13.736) 32.651 17.068 ( -2.348 -3.793 8.172) 9.310 17.240 ( -2.318 -2.627 -8.189) 8.907 20.129 ( -4.403 11.858 4.765) 13.517 20.256 ( -3.843 8.829 -7.366) 12.123 21.071 ( -1.658 -0.344 10.729) 10.862 21.299 ( -1.568 -0.718 -11.209) 11.341 22.236 ( -10.603 2.811 2.224) 11.192 22.277 ( -9.570 1.207 -1.658) 9.787 23.666 ( -11.623 18.258 27.839) 35.263 24.294 ( -15.207 10.992 -31.710) 36.845 26.070 ( -11.480 -11.593 5.855) 17.334 26.133 ( -8.502 -11.751 -0.802) 14.526 ======================= Grid point 468 (135/192) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.919 ( 13.659 3.440 19.486) 24.044 5.038 ( 8.375 -6.122 17.755) 20.563 5.234 ( 16.191 -5.748 -5.178) 17.944 5.381 ( 10.950 -4.216 -16.481) 20.231 5.753 ( 3.545 -1.730 1.644) 4.274 6.006 ( -7.407 -4.271 -18.370) 20.262 7.391 ( 0.989 -5.303 5.376) 7.616 7.429 ( 0.507 -3.595 1.388) 3.887 7.891 ( 5.357 -16.448 11.926) 21.011 8.134 ( 7.237 -25.832 -10.055) 28.649 8.472 ( 6.946 2.614 6.340) 9.761 8.578 ( 18.290 1.150 -2.810) 18.541 9.665 ( 11.521 11.420 9.071) 18.586 9.790 ( 3.716 3.945 -4.252) 6.888 9.919 ( 11.480 10.731 -1.386) 15.776 9.997 ( 7.255 19.270 -8.082) 22.120 10.684 ( -13.910 -2.403 10.138) 17.379 10.793 ( -10.090 2.154 2.147) 10.538 11.201 ( 7.284 -8.613 3.474) 11.804 11.473 ( 1.798 -5.326 -20.032) 20.805 11.924 ( 4.243 8.419 7.998) 12.363 12.037 ( -10.944 9.406 -1.991) 14.567 12.512 ( 1.751 14.602 -4.589) 15.407 12.562 ( -6.278 8.687 -8.259) 13.531 12.920 ( 1.469 7.780 2.112) 8.195 12.993 ( 12.388 1.734 -2.299) 12.718 13.380 ( -0.064 -7.754 13.611) 15.665 13.640 ( -3.045 -10.187 -5.304) 11.882 14.303 ( -6.188 0.286 10.969) 12.598 14.720 ( 0.954 -6.060 -22.682) 23.497 15.231 ( 12.332 2.583 13.447) 18.427 15.319 ( 6.279 -5.196 3.176) 8.747 16.200 ( 17.896 -5.610 13.395) 23.047 16.478 ( 18.192 -19.220 9.698) 28.185 16.515 ( 22.519 10.151 -8.256) 26.044 16.838 ( 22.692 -5.717 -15.348) 27.985 17.071 ( 0.389 -2.468 7.840) 8.228 17.236 ( 0.259 -2.156 -7.549) 7.855 19.965 ( -4.995 7.816 6.453) 11.300 20.125 ( -4.112 5.588 -8.881) 11.270 21.029 ( -3.055 -0.654 10.321) 10.784 21.238 ( -4.731 -0.040 -9.979) 11.044 22.061 ( -5.772 2.647 4.003) 7.506 22.136 ( -4.574 1.039 -3.256) 5.710 23.328 ( -12.790 10.607 26.558) 31.328 23.948 ( -14.481 6.392 -32.232) 35.909 25.949 ( -8.309 -6.889 8.740) 13.888 26.062 ( -6.125 -7.052 -2.732) 9.732 ======================= Grid point 469 (136/192) ======================= q-point: ( 0.47 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 5.751 4.034 21.389) 22.513 5.135 ( -0.196 -4.252 17.829) 18.330 5.461 ( 5.749 -0.813 -10.429) 11.936 5.568 ( 4.545 -4.132 -19.900) 20.827 5.829 ( 2.596 -0.432 -1.665) 3.114 5.923 ( -3.091 -0.978 -10.968) 11.437 7.412 ( -0.282 -1.522 3.462) 3.792 7.446 ( 0.072 -0.758 0.607) 0.974 8.057 ( 2.469 -6.769 17.059) 18.518 8.377 ( 3.611 -10.822 -12.373) 16.830 8.542 ( 1.855 0.358 13.878) 14.006 8.836 ( 6.956 -0.839 -13.750) 15.432 9.767 ( 6.484 9.447 6.023) 12.945 9.846 ( 3.395 10.248 0.260) 10.799 10.000 ( 10.653 2.627 6.569) 12.788 10.083 ( 2.351 -3.647 1.809) 4.701 10.421 ( -14.082 -1.174 12.491) 18.861 10.691 ( 2.640 0.996 -14.510) 14.782 11.240 ( -2.948 -4.186 -0.062) 5.120 11.397 ( -12.313 2.165 -13.115) 18.119 11.865 ( -1.087 0.936 2.441) 2.831 12.005 ( 7.590 -0.515 -7.501) 10.684 12.345 ( -6.901 9.114 0.793) 11.460 12.454 ( -0.247 6.570 -7.776) 10.182 12.922 ( 0.340 -0.608 11.386) 11.407 13.167 ( 4.958 -0.037 -9.211) 10.460 13.545 ( 10.898 -2.122 9.289) 14.476 13.683 ( -0.806 -4.050 3.046) 5.131 14.147 ( -7.476 0.499 12.497) 14.571 14.709 ( -3.478 -3.618 -31.503) 31.901 15.384 ( 4.920 0.994 14.109) 14.975 15.461 ( 4.371 -1.634 5.427) 7.158 16.483 ( 8.284 -1.148 13.337) 15.743 16.783 ( 5.851 -8.230 -13.439) 16.810 16.798 ( 10.544 6.856 12.643) 17.834 17.088 ( 0.955 -6.461 4.673) 8.031 17.123 ( 3.892 3.391 -8.426) 9.882 17.305 ( 4.315 -2.126 -9.592) 10.731 19.858 ( -2.057 2.678 7.684) 8.393 20.043 ( -1.648 1.849 -9.958) 10.261 20.984 ( -1.688 -0.308 8.905) 9.069 21.159 ( -2.715 0.167 -8.415) 8.844 21.988 ( -1.050 1.132 5.533) 5.744 22.086 ( -0.767 0.435 -3.954) 4.051 23.090 ( -6.149 3.440 25.957) 26.896 23.713 ( -6.370 2.058 -33.149) 33.819 25.874 ( -3.057 -2.290 10.431) 11.109 26.017 ( -2.245 -2.350 -3.859) 5.046 ======================= Grid point 478 (137/192) ======================= q-point: ( 0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 29.358 -0.000 22.806) 37.175 2.601 ( 22.498 -0.000 23.861) 32.795 3.272 ( 9.056 -0.000 -18.448) 20.550 3.727 ( 20.722 -0.000 -41.404) 46.300 5.298 ( 47.538 -0.000 59.660) 76.283 6.057 ( -5.927 0.000 10.857) 12.370 6.427 ( -3.986 0.000 1.882) 4.408 6.636 ( 27.861 -0.000 -40.296) 48.990 7.165 ( 5.594 -0.000 16.179) 17.119 7.460 ( 4.273 -0.000 -14.027) 14.663 8.136 ( 19.020 -0.000 15.664) 24.640 8.335 ( -3.222 0.000 10.747) 11.219 8.618 ( 24.342 -0.000 -20.735) 31.976 8.762 ( -4.990 0.000 -23.419) 23.945 9.648 ( -11.040 0.000 4.547) 11.940 9.667 ( -3.518 0.000 1.430) 3.798 10.323 ( 23.987 -0.000 4.496) 24.405 10.355 ( 6.946 -0.000 5.429) 8.816 10.933 ( -6.282 0.000 25.872) 26.624 11.427 ( 27.747 -0.000 -2.164) 27.832 11.562 ( 31.074 -0.000 -1.605) 31.115 11.730 ( -5.261 0.000 -33.320) 33.733 12.211 ( -9.884 0.000 11.729) 15.338 12.372 ( 0.843 -0.000 -6.130) 6.188 12.800 ( 15.305 -0.000 11.738) 19.288 13.146 ( -0.395 0.000 -18.401) 18.406 13.708 ( 0.989 -0.000 13.652) 13.687 13.974 ( 2.665 -0.000 -9.974) 10.324 14.482 ( -2.126 0.000 11.551) 11.745 14.625 ( -19.107 0.000 11.804) 22.459 14.733 ( -19.487 0.000 16.651) 25.632 15.042 ( -13.205 0.000 5.322) 14.237 15.552 ( -28.372 0.000 -2.235) 28.460 15.640 ( -17.637 0.000 -7.521) 19.174 15.826 ( -18.573 0.000 9.411) 20.821 16.050 ( -6.262 0.000 -9.306) 11.216 17.299 ( -9.328 0.000 8.476) 12.604 17.500 ( -8.565 0.000 -10.555) 13.593 20.268 ( 14.370 -0.000 -0.282) 14.373 20.321 ( 15.119 -0.000 -5.932) 16.241 20.917 ( 14.813 -0.000 2.544) 15.030 20.993 ( 8.154 -0.000 -4.798) 9.461 22.843 ( -6.736 0.000 2.919) 7.342 22.904 ( -8.093 0.000 -2.728) 8.540 24.819 ( 3.714 -0.000 13.728) 14.222 25.137 ( 1.907 -0.000 -16.243) 16.354 25.993 ( -5.821 0.000 5.602) 8.078 26.110 ( -5.562 0.000 -5.109) 7.553 ======================= Grid point 479 (138/192) ======================= q-point: ( 0.13 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 41.138 -0.720 10.491) 42.461 3.183 ( 36.828 -10.920 9.716) 39.622 3.641 ( 27.214 -2.695 3.076) 27.519 4.185 ( 26.342 -4.593 -37.188) 45.803 5.878 ( -10.797 -1.884 26.239) 28.436 6.032 ( 25.306 -7.276 29.894) 39.837 6.339 ( -4.507 -0.893 6.151) 7.678 6.911 ( 2.844 -2.329 -29.089) 29.320 7.323 ( 9.976 -1.294 14.540) 17.680 7.675 ( 12.862 1.089 -17.530) 21.770 8.292 ( 1.190 4.484 4.589) 6.525 8.390 ( 4.760 1.591 3.869) 6.337 8.801 ( 13.711 0.001 -4.364) 14.389 9.053 ( 25.130 2.235 -18.203) 31.111 9.583 ( 5.721 0.206 10.745) 12.175 9.767 ( 13.820 0.779 -7.796) 15.886 10.278 ( -8.053 3.648 25.775) 27.249 10.808 ( 21.386 0.870 -15.782) 26.593 11.172 ( 27.175 0.031 1.013) 27.194 11.304 ( -6.142 5.794 -20.537) 22.205 11.762 ( -14.118 -0.079 21.284) 25.541 12.174 ( 11.520 2.308 -14.345) 18.542 12.244 ( 17.796 -1.949 1.844) 17.997 12.283 ( 4.538 -3.639 -4.744) 7.506 13.151 ( 21.472 9.843 3.714) 23.910 13.285 ( 15.560 2.918 -8.272) 17.862 13.714 ( -1.126 2.993 13.965) 14.327 13.995 ( -2.830 5.805 -12.571) 14.132 14.146 ( -14.910 3.881 35.337) 38.549 14.529 ( 1.118 -9.693 7.723) 12.444 14.683 ( 1.352 4.441 -4.098) 6.192 14.835 ( -4.426 -12.344 -6.346) 14.568 15.137 ( -16.847 -3.333 2.220) 17.316 15.336 ( -13.767 1.287 -6.604) 15.323 15.622 ( -8.669 -10.881 15.595) 20.899 15.975 ( -1.368 -0.027 -14.513) 14.578 17.144 ( -7.456 -1.530 9.436) 12.123 17.352 ( -7.325 -0.892 -10.302) 12.672 20.436 ( 5.863 5.075 0.951) 7.812 20.490 ( 5.096 3.212 -4.313) 7.409 21.081 ( 3.169 1.917 2.271) 4.344 21.145 ( 8.808 -0.836 -3.752) 9.611 22.689 ( -9.675 0.327 1.644) 9.819 22.724 ( -11.053 0.337 -1.518) 11.162 24.718 ( -2.649 27.391 16.625) 32.150 25.070 ( -8.891 1.436 -16.313) 18.634 25.943 ( -5.619 -12.868 3.895) 14.571 26.037 ( -7.453 -12.331 -4.387) 15.061 ======================= Grid point 480 (139/192) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 37.827 -4.173 14.521) 40.733 3.987 ( 37.626 -8.948 3.353) 38.820 4.218 ( 31.640 -0.640 9.860) 33.147 4.718 ( 26.946 -2.407 -30.924) 41.088 5.718 ( -7.824 -4.752 25.806) 27.381 6.170 ( -7.090 -3.707 -14.237) 16.331 6.509 ( 12.669 -14.181 21.273) 28.534 6.956 ( 1.170 -8.787 -19.941) 21.822 7.475 ( 2.928 -4.453 14.839) 15.767 7.762 ( -1.522 1.039 -10.257) 10.421 8.298 ( 3.830 5.179 2.911) 7.069 8.406 ( 2.689 4.841 -5.263) 7.640 9.196 ( 24.389 -1.718 12.045) 27.255 9.562 ( 29.706 4.493 -17.978) 35.012 9.743 ( 6.877 -0.146 10.914) 12.900 9.982 ( 6.911 2.866 -8.110) 11.034 10.307 ( 17.086 3.400 17.025) 24.359 10.854 ( 2.399 9.215 -31.652) 33.053 11.394 ( -18.236 -0.947 24.720) 30.733 11.621 ( 27.048 2.014 4.124) 27.435 11.704 ( 21.267 3.293 -7.997) 22.958 11.932 ( -12.606 -1.198 -21.000) 24.522 12.491 ( 6.431 -1.097 4.498) 7.924 12.590 ( 8.909 1.281 -4.861) 10.229 13.339 ( 8.336 19.827 8.792) 23.236 13.513 ( 1.128 6.416 -0.283) 6.521 13.586 ( -4.013 8.181 4.170) 10.021 13.746 ( -15.103 -3.828 0.248) 15.583 14.126 ( 12.403 4.442 15.487) 20.332 14.473 ( -1.299 5.989 -8.954) 10.850 14.851 ( 2.445 -17.851 3.010) 18.267 14.980 ( -6.133 -11.975 -8.585) 15.960 15.076 ( 13.735 -13.447 14.900) 24.321 15.307 ( 17.984 -0.416 1.158) 18.026 15.675 ( 8.228 -11.145 8.945) 16.490 16.028 ( 9.257 3.241 -17.146) 19.753 17.051 ( -4.338 -2.793 9.644) 10.937 17.251 ( -4.479 -1.704 -9.468) 10.612 20.422 ( -2.182 7.527 1.697) 8.018 20.482 ( -2.160 5.223 -4.189) 7.035 21.095 ( -0.047 1.087 7.606) 7.683 21.265 ( 3.706 -0.501 -8.504) 9.289 22.488 ( -11.278 0.949 0.805) 11.346 22.503 ( -11.947 0.760 -0.422) 11.978 24.386 ( -10.817 27.934 19.468) 35.726 24.805 ( -16.040 6.017 -19.955) 26.300 25.934 ( -6.791 -14.986 3.304) 16.782 25.995 ( -7.292 -13.925 -2.051) 15.852 ======================= Grid point 481 (140/192) ======================= q-point: ( 0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 31.406 -2.269 14.854) 34.815 4.616 ( 23.354 -6.936 10.235) 26.424 4.761 ( 26.154 0.947 7.109) 27.119 5.153 ( 20.469 5.316 -20.686) 29.583 5.679 ( 1.262 -1.544 12.343) 12.503 6.056 ( -7.480 -3.741 -18.000) 19.848 6.871 ( 12.575 -22.983 12.431) 28.998 7.138 ( 7.104 -17.902 -11.404) 22.384 7.522 ( -2.084 -12.631 7.330) 14.752 7.683 ( -5.555 -1.961 -6.274) 8.606 8.385 ( 9.828 5.019 3.554) 11.594 8.451 ( 5.682 4.517 -2.690) 7.741 9.588 ( 14.927 1.893 16.147) 22.071 9.820 ( 11.917 6.399 2.337) 13.727 9.953 ( -3.299 1.454 -10.556) 11.155 10.069 ( 22.056 8.489 -15.987) 28.533 10.716 ( 20.811 4.289 12.324) 24.564 10.914 ( 6.002 4.504 -2.806) 8.011 11.080 ( -14.372 -1.962 18.409) 23.437 11.506 ( -16.639 0.261 -21.326) 27.050 12.024 ( 10.963 8.588 -0.683) 13.943 12.165 ( 21.606 3.815 -13.918) 25.983 12.571 ( 4.243 1.322 4.598) 6.394 12.654 ( 1.335 2.697 -3.944) 4.961 13.183 ( -5.063 17.428 15.561) 23.906 13.346 ( -10.234 -3.831 8.419) 13.794 13.398 ( -8.815 15.976 -5.440) 19.040 13.546 ( -8.318 0.045 -7.114) 10.945 14.344 ( 4.679 1.309 5.837) 7.595 14.519 ( 7.271 -3.123 -5.620) 9.706 14.983 ( -0.524 -14.363 -1.087) 14.413 15.001 ( 4.736 -13.030 1.408) 13.936 15.585 ( 23.113 -17.304 17.271) 33.644 15.766 ( 28.671 0.503 9.700) 30.272 16.122 ( 27.492 -9.198 -6.732) 29.761 16.296 ( 23.905 6.520 -15.643) 29.303 17.021 ( -1.057 -2.688 9.463) 9.894 17.210 ( -1.379 -1.652 -8.469) 8.738 20.269 ( -7.695 7.644 3.116) 11.285 20.358 ( -6.461 5.426 -5.438) 10.038 21.070 ( -2.100 0.164 10.328) 10.541 21.291 ( -1.137 -0.393 -10.774) 10.841 22.272 ( -10.241 2.169 1.373) 10.558 22.294 ( -9.453 1.036 -0.569) 9.527 23.951 ( -16.729 21.024 20.964) 34.079 24.424 ( -19.648 6.248 -23.778) 31.472 25.893 ( -7.687 -12.058 5.417) 15.292 25.969 ( -5.191 -10.994 -1.986) 12.319 ======================= Grid point 482 (141/192) ======================= q-point: ( 0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.950 ( 8.942 -5.021 16.147) 19.128 5.008 ( 21.899 6.811 17.522) 28.861 5.147 ( 14.622 -5.572 0.434) 15.653 5.435 ( 17.471 10.948 -14.332) 25.110 5.759 ( 6.402 2.435 -2.876) 7.429 5.963 ( -4.249 -1.362 -16.967) 17.544 7.237 ( 6.583 -18.132 10.257) 21.848 7.336 ( 2.662 -9.357 0.864) 9.767 7.649 ( -1.458 -14.061 -0.487) 14.144 7.706 ( 5.768 -30.339 -6.267) 31.512 8.513 ( 4.611 2.953 6.196) 8.269 8.609 ( 14.865 2.395 -1.629) 15.145 9.794 ( 9.904 6.815 5.940) 13.410 9.848 ( 6.163 3.727 -1.435) 7.344 10.063 ( 8.897 8.249 4.093) 12.804 10.250 ( 6.673 15.399 -9.547) 19.308 10.669 ( -16.951 0.674 12.392) 21.008 10.812 ( -12.286 0.277 4.500) 13.087 11.099 ( 5.585 -5.522 -2.040) 8.115 11.399 ( 2.374 -4.702 -24.410) 24.972 12.081 ( 3.483 12.779 7.479) 15.211 12.193 ( -10.466 12.010 -2.646) 16.149 12.623 ( -1.134 0.085 -0.006) 1.137 12.719 ( 9.617 11.195 -8.572) 17.068 13.057 ( 0.576 10.691 4.713) 11.698 13.099 ( -7.182 13.502 -1.614) 15.378 13.281 ( 3.629 -5.856 13.457) 15.118 13.524 ( 3.941 -3.756 -4.039) 6.779 14.291 ( -8.139 -2.493 6.105) 10.475 14.626 ( -1.356 -7.708 -21.226) 22.623 15.167 ( 6.218 -14.325 7.408) 17.285 15.204 ( 9.621 -5.999 7.294) 13.481 16.097 ( 19.640 -12.269 12.431) 26.282 16.274 ( 22.084 -3.294 7.022) 23.407 16.636 ( 24.898 1.893 -6.492) 25.800 16.780 ( 25.637 0.093 -12.506) 28.525 17.052 ( 3.513 -0.623 8.252) 8.990 17.219 ( 1.661 -0.022 -7.318) 7.504 20.060 ( -9.050 5.399 5.267) 11.781 20.194 ( -7.022 3.913 -7.555) 11.031 21.021 ( -3.141 -0.487 10.481) 10.952 21.237 ( -4.360 -0.063 -10.423) 11.298 22.101 ( -5.896 2.956 3.126) 7.299 22.153 ( -4.631 1.252 -1.751) 5.107 23.500 ( -17.836 13.099 22.259) 31.387 24.027 ( -18.131 4.263 -27.683) 33.366 25.841 ( -5.132 -7.866 8.489) 12.660 25.959 ( -2.734 -7.188 -3.273) 8.357 ======================= Grid point 483 (142/192) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.056 ( 0.941 -2.270 19.566) 19.720 5.229 ( 10.823 13.199 18.467) 25.147 5.405 ( 7.917 -5.125 -10.260) 13.936 5.639 ( 13.022 11.952 -16.450) 24.146 5.841 ( 3.648 2.151 -4.251) 6.001 5.921 ( -0.540 1.128 -10.666) 10.739 7.337 ( -1.096 -8.277 6.190) 10.394 7.415 ( 0.211 -4.218 -0.590) 4.264 7.836 ( 3.993 -22.480 10.907) 25.303 8.063 ( 6.924 -30.264 -9.688) 32.522 8.546 ( 0.477 0.434 13.466) 13.482 8.832 ( 7.560 0.284 -12.944) 14.992 9.882 ( -0.936 6.620 9.505) 11.621 9.975 ( 6.682 6.585 8.641) 12.754 10.031 ( -17.912 0.547 1.623) 17.994 10.131 ( 10.619 8.735 1.725) 13.858 10.431 ( -5.632 2.872 8.021) 10.213 10.705 ( 0.496 0.908 -17.067) 17.098 11.174 ( 1.343 -4.448 2.237) 5.157 11.411 ( -8.467 -0.436 -16.572) 18.615 11.904 ( -6.400 4.337 2.448) 8.110 12.039 ( 2.113 4.590 -9.586) 10.836 12.534 ( -8.436 16.760 2.691) 18.955 12.612 ( -2.858 14.193 -3.256) 14.840 12.920 ( -0.986 0.674 9.941) 10.013 13.160 ( 4.579 -0.584 -10.082) 11.089 13.535 ( 17.086 0.580 13.197) 21.597 13.645 ( 4.289 -0.819 3.973) 5.903 14.131 ( -9.372 -2.990 8.657) 13.104 14.647 ( 0.748 -5.289 -30.908) 31.366 15.320 ( 0.454 -9.541 11.984) 15.325 15.395 ( 4.053 -7.073 4.996) 9.561 16.432 ( 6.329 -11.644 9.636) 16.386 16.563 ( 5.517 -4.733 5.770) 9.280 16.992 ( 12.610 0.302 -1.854) 12.749 17.034 ( 5.840 5.687 -1.513) 8.291 17.203 ( 10.315 7.848 -4.443) 13.701 17.280 ( 5.868 -0.584 -6.862) 9.048 19.888 ( -6.354 1.469 7.371) 9.842 20.065 ( -4.488 1.283 -9.590) 10.665 20.977 ( -1.485 -0.574 9.199) 9.336 21.161 ( -2.835 0.134 -8.898) 9.339 22.012 ( -2.147 2.168 5.105) 5.947 22.098 ( -0.968 1.089 -3.111) 3.436 23.154 ( -10.880 5.501 24.090) 26.999 23.740 ( -9.375 1.586 -31.417) 32.825 25.830 ( -0.160 -3.688 10.520) 11.148 25.977 ( 0.988 -3.039 -4.166) 5.250 ======================= Grid point 484 (143/192) ======================= q-point: (-0.53 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.037 ( -3.563 0.434 19.816) 20.139 5.257 ( 2.210 11.646 15.649) 19.631 5.480 ( -0.201 3.559 -12.153) 12.665 5.705 ( 1.196 13.229 -16.993) 21.568 5.853 ( -0.132 3.089 0.327) 3.110 5.945 ( 5.797 2.182 -10.048) 11.804 7.372 ( -0.639 -6.336 4.547) 7.825 7.438 ( 0.062 -2.688 -1.022) 2.876 8.012 ( 0.178 -12.824 16.552) 20.940 8.324 ( 1.295 -17.156 -12.038) 20.998 8.530 ( -2.662 -1.446 15.256) 15.553 8.851 ( -5.140 1.192 -14.959) 15.863 9.625 ( -18.380 -9.831 5.690) 21.606 9.715 ( -11.202 -7.821 -2.837) 13.954 10.044 ( -9.283 8.250 8.671) 15.147 10.185 ( -7.225 10.035 -1.310) 12.435 10.449 ( 18.121 2.233 14.058) 23.043 10.675 ( -3.413 -1.317 -9.894) 10.549 11.266 ( 0.287 -1.134 -0.975) 1.523 11.378 ( 18.299 0.359 -12.641) 22.244 11.866 ( 0.290 0.506 2.952) 3.009 12.050 ( -6.437 4.471 -10.200) 12.863 12.295 ( -1.642 3.459 3.236) 5.013 12.447 ( -5.102 5.339 -8.740) 11.442 12.932 ( -0.104 0.838 12.002) 12.032 13.160 ( -5.477 -0.903 -5.688) 7.948 13.597 ( -4.980 5.080 3.200) 7.800 13.745 ( 3.584 3.941 -2.366) 5.829 14.126 ( 8.670 -2.016 20.479) 22.330 14.749 ( 7.320 1.732 -31.984) 32.857 15.306 ( -9.233 -9.372 13.563) 18.896 15.425 ( -6.018 -6.654 2.903) 9.429 16.486 ( -7.889 -8.872 8.264) 14.465 16.551 ( -10.522 -6.549 8.265) 14.897 17.020 ( -1.325 8.260 2.016) 8.605 17.100 ( -0.326 2.094 -8.282) 8.549 17.225 ( 1.731 13.645 -0.761) 13.776 17.335 ( -1.806 2.158 -7.880) 8.367 19.814 ( -2.383 -3.430 8.429) 9.407 20.014 ( -1.405 -2.108 -10.673) 10.970 20.985 ( 2.023 -0.116 8.804) 9.034 21.157 ( 2.509 -0.159 -8.219) 8.595 21.981 ( -0.151 0.089 5.974) 5.976 22.087 ( 0.520 0.576 -4.354) 4.423 23.057 ( 1.990 -1.177 25.972) 26.075 23.685 ( 3.205 -1.870 -33.493) 33.698 25.893 ( 5.733 0.445 10.809) 12.244 26.042 ( 5.309 1.214 -4.083) 6.807 ======================= Grid point 485 (144/192) ======================= q-point: (-0.47 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.918 ( -8.099 3.134 18.450) 20.391 5.135 ( -8.561 8.505 11.891) 16.942 5.351 ( -8.766 11.123 -6.727) 15.678 5.503 ( -11.696 10.888 -13.612) 20.991 5.812 ( 0.724 6.837 6.133) 9.213 6.079 ( 10.313 5.937 -17.101) 20.833 7.399 ( -0.546 -3.561 4.621) 5.859 7.459 ( 1.040 0.082 -0.286) 1.082 8.012 ( -4.841 -0.822 17.343) 18.025 8.327 ( -7.043 -1.715 -10.061) 12.400 8.453 ( -6.948 0.508 6.866) 9.781 8.605 ( -18.837 4.535 -5.508) 20.143 9.471 ( -10.992 -15.380 9.032) 20.950 9.683 ( -3.263 -16.688 -9.679) 19.565 9.789 ( -8.451 -3.087 -1.551) 9.130 9.833 ( -20.918 1.134 -5.868) 21.755 10.714 ( 6.345 0.482 6.180) 8.871 10.764 ( 11.784 -0.981 2.868) 12.168 11.331 ( -1.817 8.656 7.042) 11.306 11.546 ( -4.275 5.434 -10.800) 12.823 11.862 ( -2.634 -0.019 5.484) 6.084 11.934 ( 10.324 -4.900 0.344) 11.433 12.352 ( -2.362 -7.393 -7.194) 10.582 12.424 ( 6.006 -8.134 -12.373) 15.979 12.860 ( -7.403 -1.967 4.853) 9.068 12.982 ( -13.502 -0.391 -3.935) 14.070 13.494 ( 2.085 7.939 11.750) 14.333 13.780 ( 6.910 8.831 -10.221) 15.172 14.298 ( 5.547 0.258 18.223) 19.051 14.802 ( -1.231 5.112 -25.174) 25.717 15.135 ( -15.661 -10.200 14.752) 23.811 15.300 ( -11.206 -7.121 -0.654) 13.293 16.300 ( -14.388 5.027 12.429) 19.666 16.328 ( -15.574 -9.737 7.460) 19.825 16.796 ( -12.582 20.724 -3.707) 24.526 16.912 ( -19.498 4.596 -12.506) 23.616 17.136 ( 0.036 7.194 5.770) 9.223 17.274 ( -0.140 3.019 -6.726) 7.374 19.843 ( 0.492 -8.982 8.055) 12.075 20.039 ( 0.594 -6.373 -10.563) 12.351 21.038 ( 3.302 0.590 10.140) 10.681 21.238 ( 5.146 -0.087 -9.414) 10.729 22.029 ( 5.135 -1.830 5.162) 7.507 22.127 ( 4.488 -0.150 -4.458) 6.327 23.203 ( 9.046 -7.015 27.740) 30.010 23.855 ( 10.817 -6.378 -34.106) 36.344 26.030 ( 10.608 4.407 9.417) 14.853 26.153 ( 9.021 5.457 -2.979) 10.956 ======================= Grid point 486 (145/192) ======================= q-point: (-0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( -13.601 9.039 16.216) 23.014 4.785 ( -22.163 8.922 11.842) 26.665 4.978 ( -20.923 15.632 -5.081) 26.608 5.190 ( -14.567 6.431 -20.153) 25.684 5.821 ( 6.711 9.205 16.622) 20.151 6.220 ( 9.813 7.150 -17.856) 21.593 7.374 ( -3.931 4.139 7.760) 9.634 7.455 ( -0.644 4.787 1.133) 4.961 7.864 ( -7.551 9.432 12.814) 17.612 8.139 ( -10.716 11.723 -10.614) 19.103 8.210 ( -16.308 0.350 1.970) 16.430 8.255 ( -12.518 -4.318 -2.124) 13.411 9.383 ( -9.917 -13.833 8.439) 18.998 9.512 ( -16.158 -13.977 -0.995) 21.387 9.725 ( -6.601 -12.371 -4.860) 14.841 9.848 ( 6.591 -5.337 -13.442) 15.894 10.588 ( -26.705 -2.445 11.981) 29.371 10.806 ( -12.950 -1.864 -7.000) 14.838 11.162 ( 5.355 4.321 17.987) 19.258 11.510 ( 3.997 -1.465 -14.746) 15.348 11.820 ( -5.098 0.209 5.883) 7.788 12.084 ( -5.458 -1.103 -18.084) 18.922 12.413 ( 3.809 -12.134 6.402) 14.238 12.591 ( -4.487 -6.265 -6.541) 10.107 12.763 ( -0.573 -3.645 1.692) 4.059 12.851 ( 4.555 -10.167 -6.726) 13.014 13.548 ( 7.084 7.546 16.185) 19.212 13.851 ( 7.151 11.099 -9.010) 15.985 14.267 ( -10.588 -2.768 13.031) 17.017 14.617 ( -12.451 4.327 -13.556) 18.908 14.928 ( -12.961 -10.846 14.906) 22.535 15.151 ( -11.509 -10.221 -7.316) 17.043 15.938 ( -20.759 4.691 21.243) 30.070 16.161 ( -0.928 13.275 4.856) 14.165 16.341 ( -20.588 18.194 -10.973) 29.586 16.428 ( -17.612 14.977 -11.845) 25.976 17.129 ( 3.078 4.800 6.981) 9.014 17.282 ( 2.838 3.093 -7.488) 8.585 19.941 ( 0.446 -14.239 6.766) 15.771 20.113 ( 0.364 -10.882 -9.716) 14.593 21.080 ( 1.581 0.918 11.088) 11.238 21.310 ( 2.220 0.794 -11.235) 11.480 22.194 ( 10.330 -3.052 3.738) 11.402 22.262 ( 9.487 -0.828 -2.925) 9.962 23.443 ( 8.281 -12.925 30.233) 33.907 24.132 ( 11.445 -11.217 -35.081) 38.568 26.208 ( 12.860 7.811 7.127) 16.649 26.290 ( 11.556 9.802 -1.402) 15.218 ======================= Grid point 487 (146/192) ======================= q-point: (-0.33 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( -30.516 17.219 9.026) 36.183 4.344 ( -21.703 10.709 4.404) 24.599 4.395 ( -25.571 17.804 4.810) 31.528 4.862 ( -15.993 7.524 -25.197) 30.778 5.919 ( 10.214 8.784 23.541) 27.123 6.330 ( 6.826 6.397 -13.165) 16.150 7.117 ( -13.301 20.786 14.658) 28.702 7.313 ( -8.169 11.693 -3.282) 14.637 7.682 ( -7.276 3.308 7.672) 11.079 7.844 ( -7.585 16.578 -4.981) 18.900 8.042 ( -6.855 -11.644 2.719) 13.783 8.145 ( -7.247 -12.726 -4.598) 15.350 9.168 ( -22.870 -6.987 4.438) 24.322 9.344 ( -20.307 -13.586 -7.271) 25.491 9.660 ( -2.501 -3.765 10.930) 11.828 9.881 ( -14.221 -2.283 3.133) 14.740 10.149 ( -13.116 -6.378 -3.484) 14.995 10.484 ( -16.289 -12.255 -26.812) 33.681 11.369 ( 12.604 -4.206 17.325) 21.834 11.578 ( -13.555 -6.881 -4.498) 15.853 11.586 ( -18.393 1.005 4.018) 18.853 11.893 ( -2.743 -2.486 -17.295) 17.686 12.516 ( 1.670 -2.082 1.019) 2.857 12.543 ( -0.648 -4.737 -0.718) 4.834 12.857 ( -0.590 -5.424 7.129) 8.977 13.088 ( 3.790 -10.660 -12.651) 16.972 13.553 ( -2.927 1.537 14.704) 15.071 13.834 ( -7.595 -1.296 -11.757) 14.057 14.037 ( -6.493 -0.103 23.431) 24.314 14.408 ( -7.271 0.416 -8.702) 11.347 14.873 ( -1.001 -12.220 8.424) 14.876 15.022 ( -11.330 -13.708 -5.933) 18.748 15.523 ( -11.928 16.968 17.163) 26.921 15.788 ( -16.820 22.062 -7.625) 28.771 16.129 ( 7.417 19.769 -0.412) 21.119 16.225 ( 6.839 20.394 -6.906) 22.591 17.170 ( 5.007 4.870 7.033) 9.912 17.329 ( 4.714 3.248 -7.982) 9.822 20.036 ( -3.202 -17.991 5.420) 19.060 20.188 ( -2.661 -14.484 -9.068) 17.295 21.079 ( -1.325 0.415 9.871) 9.968 21.295 ( -3.094 1.511 -11.124) 11.645 22.427 ( 11.685 -3.418 2.826) 12.499 22.470 ( 11.507 -1.435 -1.290) 11.667 23.669 ( 3.515 -19.012 33.318) 38.521 24.411 ( 7.924 -15.658 -36.824) 40.791 26.372 ( 11.392 10.500 5.634) 16.486 26.437 ( 13.669 14.503 -0.995) 19.955 ======================= Grid point 488 (147/192) ======================= q-point: (-0.27 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -34.181 19.355 10.022) 40.538 3.709 ( -25.580 22.226 -14.721) 36.946 3.918 ( -18.159 17.744 19.460) 31.989 4.484 ( -16.573 13.814 -30.616) 37.454 6.034 ( 6.958 7.513 26.248) 28.175 6.371 ( 2.345 5.273 -5.609) 8.047 6.620 ( -23.623 27.006 29.301) 46.324 7.098 ( -5.037 9.692 -12.588) 16.667 7.413 ( -15.963 4.264 12.861) 20.938 7.631 ( -14.052 0.800 -7.892) 16.136 8.048 ( -2.757 -10.119 -0.105) 10.488 8.158 ( -1.434 -14.123 -5.463) 15.211 8.768 ( -21.430 -5.003 -1.107) 22.034 8.914 ( -26.126 -6.407 -13.109) 29.924 9.559 ( -13.020 -1.238 5.945) 14.367 9.699 ( -10.288 -3.615 -1.054) 10.956 9.968 ( -3.697 -15.758 16.879) 23.386 10.616 ( 8.673 -16.370 -35.017) 39.615 11.080 ( -25.247 -1.775 5.789) 25.963 11.179 ( -26.099 -1.049 -2.872) 26.277 11.685 ( 11.678 -7.192 17.944) 22.585 12.039 ( 3.615 -6.878 -15.042) 16.930 12.430 ( -15.541 9.225 0.827) 18.091 12.470 ( -11.885 7.826 -3.920) 14.760 12.725 ( -7.812 -11.469 12.523) 18.692 13.010 ( -12.138 -10.208 -10.318) 18.921 13.569 ( 2.568 -5.024 12.254) 13.490 13.793 ( 0.409 -10.284 -6.410) 12.125 14.053 ( 3.801 -0.621 17.033) 17.463 14.324 ( -4.683 -9.514 -6.554) 12.466 14.974 ( 0.461 -7.064 5.206) 8.787 15.061 ( 9.160 -15.105 4.972) 18.352 15.307 ( 2.264 21.984 6.088) 22.924 15.519 ( 7.393 23.229 -8.797) 25.915 16.186 ( 15.645 24.588 3.288) 29.328 16.283 ( 14.164 22.567 -4.901) 27.090 17.245 ( 6.859 4.582 7.182) 10.937 17.413 ( 6.761 2.821 -8.631) 11.321 20.054 ( -9.964 -19.741 4.593) 22.585 20.200 ( -8.426 -16.378 -9.444) 20.699 21.021 ( -5.346 -0.918 6.561) 8.513 21.176 ( -8.411 1.414 -8.587) 12.103 22.654 ( 10.174 -2.573 2.539) 10.798 22.690 ( 10.618 -2.080 -0.565) 10.834 23.835 ( -2.696 -25.125 36.814) 44.652 24.636 ( 2.818 -19.106 -38.869) 43.403 26.472 ( 8.791 13.850 6.412) 17.613 26.575 ( 13.487 18.691 -3.560) 23.322 ======================= Grid point 489 (148/192) ======================= q-point: (-0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( -23.785 21.013 22.358) 38.822 3.164 ( -13.480 30.579 -0.595) 33.423 3.510 ( -9.302 16.887 -2.803) 19.482 4.065 ( -15.212 20.272 -35.334) 43.484 5.687 ( -42.712 26.010 53.178) 72.998 6.141 ( 1.444 6.721 15.440) 16.901 6.421 ( 2.356 -0.259 -0.372) 2.399 6.813 ( -26.544 12.995 -39.699) 49.492 7.157 ( -9.767 -1.929 17.322) 19.979 7.361 ( -6.540 -5.178 -4.548) 9.501 8.048 ( -5.725 -6.737 3.068) 9.358 8.236 ( -2.606 -10.820 -4.437) 11.981 8.456 ( -16.490 -3.748 -4.739) 17.563 8.669 ( -4.132 -7.533 -12.921) 15.517 9.428 ( -4.412 -11.896 1.031) 12.730 9.503 ( -8.961 -8.650 -7.986) 14.795 10.214 ( 10.103 -17.443 33.569) 39.156 10.468 ( -18.823 6.524 7.386) 21.247 10.771 ( -16.373 -1.336 -0.990) 16.457 11.122 ( 6.650 -26.205 -29.697) 40.160 11.661 ( -24.094 6.330 2.825) 25.072 11.701 ( -27.401 7.029 -2.314) 28.383 12.179 ( 0.334 -3.458 8.407) 9.097 12.349 ( -0.064 -2.161 -8.478) 8.749 12.714 ( -1.224 -2.694 12.736) 13.075 13.011 ( 3.437 -8.885 -11.144) 14.661 13.626 ( 0.907 -2.591 11.236) 11.567 13.845 ( -0.593 -4.139 -8.071) 9.090 14.193 ( 6.708 -10.912 15.265) 19.927 14.410 ( 2.120 -18.655 -6.568) 19.891 15.085 ( 7.015 2.857 12.240) 14.395 15.284 ( 15.656 26.583 10.705) 32.655 15.417 ( 15.060 -19.434 3.247) 24.800 15.731 ( 28.671 12.545 -12.574) 33.727 16.326 ( 18.097 27.337 3.497) 32.970 16.401 ( 16.744 24.046 -2.731) 29.428 17.361 ( 8.527 3.592 7.412) 11.856 17.536 ( 8.094 2.056 -9.162) 12.397 19.929 ( -19.279 -19.799 4.319) 27.970 20.092 ( -16.223 -16.359 -11.436) 25.721 20.873 ( -12.359 -1.565 4.238) 13.159 20.984 ( -10.847 0.011 -6.634) 12.715 22.830 ( 7.289 -1.087 3.113) 8.000 22.882 ( 8.304 -1.949 -1.351) 8.636 23.932 ( -8.153 -31.350 40.634) 51.965 24.785 ( -1.930 -20.658 -40.506) 45.511 26.499 ( 5.956 16.988 7.475) 19.492 26.653 ( 10.843 23.750 -7.595) 27.190 ======================= Grid point 490 (149/192) ======================= q-point: (-0.13 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 5.292 17.693 43.329) 47.100 2.731 ( -7.954 34.849 31.755) 47.813 3.427 ( 8.324 9.637 -37.971) 40.050 3.641 ( -14.069 21.759 -34.347) 43.024 4.683 ( -38.864 25.833 59.313) 75.470 5.927 ( -29.677 13.273 -49.680) 59.372 6.297 ( -4.639 -1.491 7.164) 8.663 6.463 ( 0.813 -1.545 -3.551) 3.957 7.073 ( -2.976 -4.359 29.716) 30.181 7.441 ( 7.764 -5.075 -3.258) 9.831 7.882 ( -10.148 4.885 -3.056) 11.669 8.062 ( -20.868 -9.391 -21.700) 31.537 8.373 ( 3.460 -3.714 18.092) 18.790 8.791 ( 6.244 -6.790 -19.443) 21.520 9.531 ( 0.906 -21.039 0.639) 21.068 9.556 ( 2.642 -20.645 -1.495) 20.867 10.131 ( -11.567 5.723 16.215) 20.724 10.411 ( 3.575 3.965 -4.363) 6.895 10.703 ( -0.591 -20.501 25.777) 32.941 11.027 ( -20.132 7.603 -3.726) 21.840 11.092 ( -22.005 8.940 4.149) 24.111 11.534 ( -1.578 -22.233 -28.763) 36.388 12.226 ( -0.817 -2.981 4.634) 5.570 12.348 ( 0.435 0.212 -7.399) 7.414 12.748 ( 4.266 0.969 21.639) 22.077 13.181 ( 6.591 -6.727 -16.572) 19.061 13.666 ( 1.451 -2.422 9.362) 9.779 13.876 ( 0.604 -5.118 -9.468) 10.780 14.389 ( 3.769 -12.429 13.143) 18.477 14.592 ( 2.689 -15.881 -7.669) 17.839 15.173 ( 4.376 0.622 16.807) 17.379 15.416 ( 10.940 9.030 -1.752) 14.293 15.968 ( 25.514 -13.718 15.968) 33.077 16.242 ( 21.873 8.493 -7.939) 24.770 16.495 ( 33.242 28.581 8.802) 44.714 16.642 ( 31.123 19.642 -5.405) 37.198 17.461 ( 1.928 2.656 6.080) 6.909 17.636 ( 1.476 1.778 -10.325) 10.581 19.606 ( -30.590 -19.120 7.175) 36.781 19.843 ( -20.430 -13.385 -15.333) 28.838 20.619 ( -13.561 -0.664 7.425) 15.475 20.790 ( -9.950 -0.829 -8.825) 13.326 22.937 ( 3.786 -0.107 3.998) 5.507 23.014 ( 4.724 -0.570 -3.067) 5.661 24.010 ( -8.628 -37.717 43.269) 58.045 24.867 ( -3.864 -18.709 -40.101) 44.419 26.452 ( 2.902 19.129 6.974) 20.566 26.623 ( 6.069 29.742 -10.474) 32.111 ======================= Grid point 491 (150/192) ======================= q-point: (-0.07 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 27.598 45.162) 52.927 2.486 ( 0.000 9.821 53.708) 54.598 3.217 ( 0.000 17.964 -16.248) 24.222 3.563 ( 0.000 6.187 -49.637) 50.022 4.123 ( 0.000 19.989 46.567) 50.676 5.455 ( 0.000 11.353 -64.313) 65.308 6.314 ( -0.000 -3.375 12.806) 13.243 6.479 ( -0.000 -1.192 -3.479) 3.678 7.086 ( -0.000 -4.727 38.616) 38.905 7.603 ( -0.000 -2.570 5.232) 5.830 7.741 ( 0.000 6.189 -7.289) 9.562 7.844 ( -0.000 -6.904 -33.197) 33.908 8.444 ( -0.000 -3.412 20.806) 21.084 8.889 ( -0.000 -3.692 -20.574) 20.903 9.725 ( -0.000 -22.269 2.498) 22.409 9.780 ( -0.000 -23.827 -2.581) 23.966 9.965 ( 0.000 2.457 22.645) 22.778 10.455 ( 0.000 0.340 -23.500) 23.503 10.668 ( 0.000 18.617 0.613) 18.627 10.679 ( 0.000 17.039 -0.397) 17.044 10.992 ( -0.000 -23.553 34.110) 41.451 11.646 ( -0.000 -17.208 -26.523) 31.617 12.222 ( -0.000 -0.436 3.438) 3.466 12.368 ( -0.000 -1.299 -11.647) 11.719 12.798 ( 0.000 0.249 25.757) 25.759 13.289 ( -0.000 -4.366 -19.117) 19.609 13.699 ( -0.000 -2.302 9.308) 9.589 13.922 ( -0.000 -5.073 -11.158) 12.257 14.491 ( -0.000 -7.301 11.369) 13.511 14.701 ( -0.000 -7.558 -9.080) 11.814 15.231 ( -0.000 -4.153 18.683) 19.139 15.515 ( -0.000 -5.010 -5.297) 7.291 16.198 ( 0.000 4.533 6.610) 8.015 16.279 ( 0.000 13.492 -0.212) 13.494 17.082 ( 0.000 10.282 9.764) 14.179 17.249 ( -0.000 -0.315 4.076) 4.088 17.341 ( -0.000 -0.227 -4.537) 4.543 17.389 ( 0.000 7.266 -18.814) 20.169 19.300 ( -0.000 -16.163 20.047) 25.751 19.684 ( -0.000 -7.922 -17.542) 19.248 20.478 ( -0.000 -0.224 9.731) 9.734 20.687 ( -0.000 -0.226 -9.790) 9.792 22.971 ( 0.000 0.136 4.354) 4.356 23.059 ( 0.000 0.117 -3.823) 3.825 24.207 ( -0.000 -42.661 37.976) 57.115 24.933 ( -0.000 -11.602 -34.542) 36.439 26.340 ( 0.000 19.427 4.382) 19.915 26.454 ( 0.000 31.468 -7.470) 32.343 ======================= Grid point 494 (151/192) ======================= q-point: ( 0.13 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 38.503 -0.000 16.456) 41.872 3.918 ( 40.066 -0.000 4.090) 40.274 4.216 ( 33.451 -0.000 8.815) 34.593 4.702 ( 30.239 -0.000 -32.459) 44.363 5.682 ( -7.287 0.000 26.808) 27.781 6.142 ( -6.530 0.000 -14.590) 15.984 6.406 ( 10.758 -0.000 22.673) 25.096 6.892 ( -1.725 0.000 -22.257) 22.324 7.444 ( 2.196 -0.000 16.106) 16.255 7.770 ( -2.134 0.000 -12.327) 12.511 8.336 ( 3.025 -0.000 2.500) 3.924 8.441 ( 1.948 -0.000 -5.312) 5.658 9.182 ( 25.030 -0.000 14.344) 28.848 9.598 ( 31.381 -0.000 -22.098) 38.381 9.737 ( 6.478 -0.000 13.709) 15.162 10.004 ( 6.035 -0.000 -11.044) 12.586 10.331 ( 17.152 -0.000 20.849) 26.998 10.923 ( 1.239 -0.000 -34.655) 34.677 11.385 ( -19.831 0.000 29.214) 35.309 11.635 ( 30.159 -0.000 2.424) 30.256 11.737 ( 26.497 -0.000 -6.837) 27.365 11.914 ( -19.380 0.000 -22.411) 29.628 12.483 ( 7.938 -0.000 5.794) 9.828 12.603 ( 11.470 -0.000 -5.717) 12.815 13.520 ( 3.618 -0.000 6.067) 7.064 13.526 ( -7.374 0.000 9.720) 12.200 13.666 ( 9.547 -0.000 -3.080) 10.032 13.717 ( -14.810 0.000 1.250) 14.863 14.172 ( 9.472 -0.000 15.684) 18.323 14.551 ( -6.445 0.000 -7.985) 10.262 14.707 ( 7.438 -0.000 2.252) 7.772 14.792 ( -4.658 0.000 -4.935) 6.786 15.010 ( 9.224 -0.000 11.449) 14.703 15.318 ( 18.006 -0.000 -12.932) 22.169 15.588 ( 10.284 -0.000 23.486) 25.638 16.059 ( 10.683 -0.000 -19.513) 22.246 17.030 ( -4.173 0.000 10.338) 11.148 17.239 ( -4.382 0.000 -9.692) 10.636 20.476 ( -3.067 0.000 0.929) 3.205 20.519 ( -2.750 0.000 -3.280) 4.280 21.105 ( -0.554 0.000 7.072) 7.093 21.261 ( 3.852 -0.000 -7.775) 8.677 22.495 ( -11.109 0.000 0.782) 11.136 22.508 ( -11.901 0.000 -0.411) 11.908 24.701 ( -11.723 0.000 4.317) 12.492 24.758 ( -21.359 0.000 -0.728) 21.371 25.843 ( -1.993 0.000 -1.163) 2.308 25.855 ( -6.698 0.000 -2.044) 7.003 ======================= Grid point 495 (152/192) ======================= q-point: ( 0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 33.448 -0.309 12.835) 35.827 4.543 ( 25.605 -2.978 8.458) 27.129 4.779 ( 25.664 0.935 13.762) 29.136 5.243 ( 28.084 5.044 -26.193) 38.733 5.667 ( 6.159 -0.351 16.032) 17.178 6.019 ( -5.800 -1.456 -14.366) 15.561 6.622 ( 9.451 -9.804 10.042) 16.920 6.917 ( 2.367 -9.872 -16.523) 19.393 7.418 ( -4.852 -3.129 12.281) 13.570 7.666 ( -7.644 -0.555 -10.036) 12.628 8.434 ( 8.706 1.775 3.285) 9.473 8.494 ( 4.194 1.490 -2.399) 5.056 9.601 ( 17.154 0.301 17.752) 24.687 9.884 ( 13.869 2.563 5.183) 15.026 9.956 ( -3.774 -0.492 -12.983) 13.529 10.152 ( 24.157 2.978 -17.711) 30.102 10.758 ( 18.997 1.474 13.013) 23.074 10.970 ( 1.027 2.891 -4.621) 5.547 11.053 ( -12.762 -1.706 20.885) 24.535 11.514 ( -20.626 0.552 -22.971) 30.877 12.102 ( 13.404 2.402 -1.608) 13.713 12.213 ( 30.203 2.167 -12.534) 32.772 12.588 ( 3.853 0.850 7.290) 8.290 12.704 ( -0.234 3.111 -4.633) 5.586 13.250 ( -15.328 -0.305 12.138) 19.555 13.292 ( -12.903 -5.942 7.132) 15.895 13.559 ( -6.830 11.531 3.380) 13.822 13.760 ( 0.876 14.381 -10.304) 17.713 14.351 ( -1.255 1.103 2.495) 3.003 14.447 ( -0.926 -7.713 -5.359) 9.437 14.737 ( 2.129 -10.994 3.995) 11.889 14.877 ( 8.184 -6.016 -6.537) 12.079 15.420 ( 26.747 -5.689 24.936) 37.008 15.811 ( 30.581 3.917 -7.554) 31.742 16.002 ( 29.311 -6.305 9.687) 31.507 16.371 ( 23.571 3.042 -19.096) 30.488 16.994 ( -0.097 -1.059 10.714) 10.767 17.194 ( -0.529 -0.531 -8.574) 8.607 20.343 ( -9.595 2.613 2.140) 10.172 20.409 ( -7.751 1.753 -4.307) 9.039 21.073 ( -2.568 0.164 10.041) 10.365 21.288 ( -0.958 -0.107 -10.365) 10.410 22.295 ( -9.667 0.942 0.895) 9.754 22.304 ( -9.498 0.311 0.224) 9.506 24.229 ( -23.653 15.967 9.695) 30.140 24.441 ( -21.130 -4.114 -10.147) 23.799 25.767 ( -4.514 -4.585 3.689) 7.417 25.841 ( -1.434 -5.719 -3.251) 6.732 ======================= Grid point 496 (153/192) ======================= q-point: ( 0.27 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.892 ( 11.269 -2.728 12.811) 17.279 5.027 ( 20.038 -3.349 -0.217) 20.317 5.163 ( 20.944 5.957 20.711) 30.051 5.632 ( 21.489 13.640 -18.055) 31.206 5.815 ( 8.065 5.896 -0.841) 10.026 5.981 ( 2.575 3.739 -11.674) 12.526 6.911 ( 8.612 -23.091 10.204) 26.674 7.130 ( 6.620 -20.714 -9.772) 23.841 7.368 ( -3.817 -11.423 6.672) 13.768 7.543 ( -6.358 -4.071 -8.061) 11.044 8.548 ( 2.727 1.813 6.256) 7.061 8.637 ( 13.200 1.360 -0.862) 13.297 9.863 ( 4.608 2.967 1.614) 5.713 9.889 ( 12.759 1.882 1.647) 13.002 10.142 ( 6.975 3.087 9.438) 12.135 10.420 ( 6.659 8.146 -12.218) 16.124 10.701 ( -17.985 3.323 12.563) 22.189 10.799 ( -10.965 -1.952 10.482) 15.295 11.047 ( 0.665 -1.890 -7.554) 7.816 11.345 ( 2.793 -2.791 -27.342) 27.626 12.260 ( 2.108 11.357 8.036) 14.072 12.363 ( -12.199 11.240 -1.452) 16.651 12.586 ( -1.763 -4.700 3.625) 6.191 12.786 ( 19.695 -0.190 -13.255) 23.741 13.179 ( -0.894 0.123 7.404) 7.458 13.208 ( -1.772 -3.609 6.522) 7.662 13.307 ( -2.574 17.770 12.259) 21.741 13.626 ( 2.451 16.678 -8.290) 18.785 14.227 ( -10.613 -5.780 1.720) 12.207 14.471 ( -4.759 -14.719 -19.642) 25.002 14.982 ( 10.745 -9.372 8.784) 16.746 15.091 ( 8.537 -8.068 0.729) 11.769 15.932 ( 20.687 -8.344 21.385) 30.901 16.301 ( 23.604 3.887 -5.792) 24.613 16.587 ( 25.747 -5.338 2.138) 26.381 16.823 ( 24.807 3.025 -15.059) 29.177 17.047 ( 5.866 -0.124 10.316) 11.868 17.232 ( 5.275 1.428 -7.233) 9.066 20.117 ( -11.851 2.621 4.613) 12.984 20.235 ( -8.851 1.935 -6.761) 11.305 21.015 ( -3.390 -0.235 10.571) 11.104 21.236 ( -4.151 -0.035 -10.694) 11.471 22.140 ( -5.654 2.337 2.336) 6.549 22.167 ( -4.841 0.491 -0.071) 4.866 23.681 ( -23.859 11.340 15.340) 30.548 24.059 ( -20.005 0.245 -20.441) 28.603 25.742 ( -1.993 -5.372 8.189) 9.995 25.869 ( 0.489 -4.928 -4.218) 6.505 ======================= Grid point 497 (154/192) ======================= q-point: ( 0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.037 ( 4.158 -0.566 17.072) 17.580 5.328 ( 10.719 -3.166 -7.935) 13.707 5.455 ( 16.867 14.279 15.174) 26.807 5.842 ( 10.281 9.483 -18.776) 23.413 5.886 ( 7.087 9.075 1.898) 11.669 6.004 ( 5.043 12.944 -9.992) 17.112 7.165 ( 0.072 -18.093 11.072) 21.212 7.313 ( 1.751 -10.659 -0.715) 10.826 7.506 ( 0.519 -21.104 -0.076) 21.111 7.607 ( 6.409 -28.386 -7.438) 30.036 8.555 ( -0.849 0.668 14.065) 14.107 8.839 ( 7.286 0.508 -12.169) 14.193 9.952 ( -3.270 3.147 11.985) 12.815 10.009 ( -7.551 -0.116 11.453) 13.719 10.069 ( -18.942 3.422 5.290) 19.963 10.236 ( 14.075 5.322 -2.479) 15.250 10.499 ( -1.203 5.825 2.429) 6.425 10.713 ( -4.228 0.072 -16.531) 17.064 11.125 ( 8.418 -2.183 3.449) 9.355 11.394 ( -5.931 -1.456 -17.585) 18.615 11.976 ( -12.573 5.308 2.229) 13.829 12.112 ( -4.519 4.855 -11.241) 13.052 12.738 ( 5.435 8.084 10.018) 13.974 12.843 ( -8.570 16.857 -1.209) 18.949 12.958 ( -7.519 5.585 5.909) 11.074 13.173 ( 4.397 3.701 -9.802) 11.363 13.559 ( 21.563 2.988 16.348) 27.224 13.665 ( 6.203 3.580 1.890) 7.407 14.057 ( -11.612 -7.286 7.159) 15.466 14.549 ( 5.118 -8.719 -30.140) 31.790 15.164 ( 0.420 -10.510 8.944) 13.807 15.264 ( 1.892 -10.565 0.890) 10.770 16.243 ( 4.931 -10.921 18.744) 22.247 16.574 ( 7.583 2.214 -6.569) 10.274 16.943 ( 9.379 -3.312 5.738) 11.483 17.107 ( 8.126 2.348 -7.199) 11.107 17.249 ( 12.981 0.238 1.524) 13.072 17.370 ( 12.553 9.823 -7.070) 17.437 19.901 ( -9.642 0.478 7.424) 12.179 20.079 ( -6.641 0.654 -9.546) 11.647 20.969 ( -1.439 -0.525 9.523) 9.646 21.163 ( -2.888 0.076 -9.455) 9.887 22.046 ( -3.130 2.363 4.619) 6.059 22.113 ( -1.029 0.796 -1.710) 2.149 23.238 ( -15.914 5.824 20.527) 26.618 23.755 ( -11.269 0.507 -28.442) 30.597 25.777 ( 2.542 -3.501 10.867) 11.697 25.935 ( 3.856 -2.686 -4.817) 6.730 ======================= Grid point 498 (155/192) ======================= q-point: ( 0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 0.207 3.292 19.706) 19.980 5.425 ( 1.832 9.415 -3.872) 10.343 5.586 ( 7.263 12.156 3.043) 14.483 5.881 ( -1.130 6.264 -9.969) 11.827 5.968 ( 5.244 17.325 -3.895) 18.515 5.999 ( 10.443 7.302 -7.547) 14.810 7.244 ( -0.899 -11.604 7.231) 13.702 7.367 ( -1.015 -7.104 -3.179) 7.849 7.727 ( 2.458 -24.950 10.826) 27.308 7.957 ( 5.143 -31.408 -10.084) 33.385 8.515 ( -3.558 -0.494 17.599) 17.962 8.869 ( -3.681 1.327 -16.114) 16.583 9.498 ( -26.705 -7.816 6.405) 28.553 9.622 ( -20.132 -5.461 -5.358) 21.537 10.189 ( -6.095 10.586 8.682) 14.986 10.341 ( -6.967 10.787 -2.398) 13.063 10.473 ( 15.003 0.811 12.974) 19.851 10.655 ( -1.464 -1.516 -4.530) 4.996 11.230 ( -2.889 -2.964 1.396) 4.368 11.394 ( 20.238 1.137 -14.129) 24.708 11.877 ( 1.301 1.268 2.900) 3.422 12.099 ( -0.357 2.581 -15.587) 15.803 12.454 ( -12.254 16.956 5.234) 21.566 12.578 ( -10.091 11.482 -5.809) 16.353 12.950 ( 0.817 1.985 13.060) 13.235 13.149 ( -6.245 -0.176 -2.598) 6.766 13.674 ( -3.525 4.654 -2.611) 6.396 13.777 ( 3.300 0.504 -7.910) 8.586 14.106 ( 15.124 -0.249 28.401) 32.178 14.744 ( 8.638 -3.243 -30.180) 31.558 15.145 ( -10.722 -12.002 10.404) 19.164 15.292 ( -6.876 -10.653 -1.972) 12.831 16.285 ( -8.205 -12.446 17.539) 23.018 16.561 ( -6.360 1.407 -3.724) 7.504 17.041 ( 0.908 -0.589 6.406) 6.497 17.168 ( 1.136 4.277 -6.460) 7.830 17.370 ( 0.564 2.899 -0.771) 3.052 17.444 ( 2.863 14.822 -6.747) 16.535 19.765 ( -6.111 -3.245 9.374) 11.651 19.985 ( -4.089 -1.895 -11.535) 12.384 20.981 ( 2.347 -0.395 8.923) 9.235 21.155 ( 2.268 -0.122 -8.326) 8.630 21.989 ( -1.364 0.872 6.331) 6.534 22.100 ( 0.347 1.017 -4.414) 4.543 23.053 ( -1.667 0.410 24.766) 24.825 23.661 ( 0.674 -1.375 -32.872) 32.907 25.890 ( 8.014 -0.751 11.501) 14.038 26.052 ( 7.820 0.263 -4.652) 9.103 ======================= Grid point 499 (156/192) ======================= q-point: (-0.53 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.995 ( -4.092 7.075 18.694) 20.403 5.297 ( -6.078 13.862 0.421) 15.142 5.526 ( -4.684 12.500 -3.584) 13.822 5.674 ( -12.369 13.491 -8.698) 20.264 5.956 ( 5.598 13.605 6.842) 16.224 6.177 ( 12.672 8.046 -13.259) 20.027 7.308 ( -0.337 -8.814 5.683) 10.493 7.414 ( 1.242 -6.389 -3.080) 7.200 7.874 ( -3.683 -17.633 15.451) 23.732 8.169 ( -4.379 -19.713 -11.330) 23.155 8.413 ( -8.156 -4.098 13.147) 16.005 8.660 ( -16.390 2.215 -9.308) 18.978 9.255 ( -9.614 -13.931 6.029) 17.968 9.438 ( -7.945 -16.047 -9.956) 20.488 9.825 ( -16.913 7.055 2.310) 18.470 9.937 ( -22.016 10.679 -8.255) 25.824 10.692 ( 4.051 -2.510 5.879) 7.568 10.762 ( 9.804 -0.503 0.924) 9.860 11.412 ( 12.752 2.604 12.285) 17.897 11.652 ( -7.333 8.270 -4.900) 12.090 11.881 ( 1.384 1.444 3.879) 4.364 11.931 ( 3.524 5.669 -0.691) 6.711 12.298 ( -2.046 -0.104 -8.347) 8.594 12.380 ( -2.967 2.209 -12.320) 12.863 12.843 ( -9.741 -0.475 4.893) 10.911 12.973 ( -13.220 -1.080 -4.237) 13.925 13.589 ( 1.943 4.718 10.429) 11.611 13.880 ( 8.735 5.304 -13.902) 17.254 14.319 ( 5.577 2.457 22.009) 22.837 14.825 ( -4.493 -4.855 -24.404) 25.284 14.969 ( -16.277 -11.877 13.075) 24.020 15.176 ( -11.837 -6.536 -4.757) 14.334 16.168 ( -11.749 -9.078 16.999) 22.571 16.389 ( -7.998 3.210 -0.636) 8.641 16.964 ( -11.512 3.974 0.654) 12.196 17.045 ( -8.538 12.733 -4.873) 16.087 17.273 ( -4.965 9.459 -1.639) 10.807 17.329 ( -0.489 6.730 -4.061) 7.876 19.718 ( -3.714 -8.411 9.782) 13.425 19.950 ( -2.841 -5.897 -12.302) 13.935 21.045 ( 3.826 0.315 10.025) 10.735 21.235 ( 5.411 -0.243 -8.835) 10.363 22.009 ( 4.103 -0.902 6.427) 7.678 22.131 ( 4.249 0.615 -5.475) 6.958 23.126 ( 6.512 -3.907 26.915) 27.966 23.772 ( 7.778 -5.085 -34.292) 35.528 26.076 ( 12.256 2.143 10.361) 16.190 26.215 ( 11.055 3.388 -3.647) 12.124 ======================= Grid point 500 (157/192) ======================= q-point: (-0.47 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( -8.676 10.077 16.640) 21.300 4.987 ( -15.953 18.755 6.926) 25.578 5.230 ( -17.020 19.504 -7.266) 26.886 5.293 ( -16.070 7.884 -17.317) 24.906 5.985 ( 8.132 13.845 16.653) 23.133 6.326 ( 9.421 7.720 -13.504) 18.185 7.351 ( -0.924 -5.835 8.327) 10.209 7.485 ( 1.975 -1.391 -1.578) 2.885 7.853 ( -8.296 -10.683 13.200) 18.900 8.044 ( -16.142 -11.386 -2.955) 19.973 8.269 ( -18.580 5.728 0.723) 19.457 8.351 ( -6.437 1.452 -6.699) 9.403 9.179 ( -10.198 -12.862 4.839) 17.113 9.332 ( -19.962 -10.441 -7.851) 23.856 9.580 ( -2.181 -6.615 4.069) 8.067 9.786 ( 6.519 -3.330 -14.369) 16.127 10.583 ( -23.533 1.629 11.399) 26.199 10.791 ( -12.380 -0.776 -7.876) 14.694 11.238 ( -6.653 6.606 17.717) 20.045 11.490 ( -2.167 0.088 -4.315) 4.829 11.885 ( -3.495 7.678 1.679) 8.602 12.089 ( -2.315 2.004 -16.131) 16.419 12.251 ( 4.391 -9.493 5.999) 12.058 12.462 ( -1.064 -9.543 -8.697) 12.955 12.751 ( 3.839 0.357 -2.125) 4.402 12.777 ( -2.339 -2.560 -3.673) 5.051 13.643 ( 5.211 5.549 16.201) 17.900 13.974 ( 3.474 5.405 -14.333) 15.708 14.243 ( -12.244 -0.706 17.976) 21.761 14.642 ( -16.909 -4.448 -18.055) 25.133 14.764 ( -13.305 -10.434 14.104) 22.019 14.980 ( -14.174 -8.925 -5.720) 17.700 15.978 ( -11.670 1.862 20.579) 23.731 16.285 ( -2.268 3.697 -7.057) 8.283 16.576 ( -15.879 16.763 1.153) 23.118 16.726 ( -8.329 22.233 -9.038) 25.404 17.204 ( 2.569 5.787 5.180) 8.180 17.327 ( 2.868 3.282 -6.104) 7.500 19.735 ( -3.554 -14.251 8.869) 17.157 19.956 ( -3.281 -10.894 -12.157) 16.650 21.096 ( 1.894 1.161 11.344) 11.560 21.320 ( 2.905 0.462 -10.599) 10.999 22.152 ( 9.446 -2.734 5.681) 11.357 22.254 ( 8.890 -0.355 -4.361) 9.908 23.297 ( 6.507 -7.739 29.239) 30.938 23.984 ( 8.684 -9.406 -35.658) 37.886 26.296 ( 13.647 4.659 8.574) 16.777 26.405 ( 13.018 6.306 -2.477) 14.675 ======================= Grid point 501 (158/192) ======================= q-point: (-0.40 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.421 ( -26.996 18.476 9.118) 33.960 4.547 ( -13.096 18.986 9.157) 24.816 4.676 ( -23.565 21.109 -6.145) 32.228 4.984 ( -12.207 9.646 -21.848) 26.821 6.057 ( 8.802 10.567 22.061) 25.996 6.417 ( 5.590 5.772 -10.708) 13.387 7.306 ( -7.061 4.670 11.755) 14.486 7.428 ( -8.034 4.093 3.732) 9.759 7.741 ( -10.920 1.832 8.244) 13.804 7.860 ( -5.715 -11.845 -3.639) 13.645 7.979 ( -9.393 -6.629 1.642) 11.614 8.128 ( -11.027 17.930 -9.639) 23.151 9.026 ( -22.672 -11.825 2.308) 25.674 9.097 ( -14.464 -18.875 -1.751) 23.844 9.622 ( -0.425 -2.350 10.544) 10.811 9.878 ( -13.506 2.374 2.687) 13.974 10.057 ( -12.906 -6.488 -6.844) 15.984 10.366 ( -25.725 -3.653 -23.317) 34.912 11.286 ( 5.696 -6.965 15.789) 18.173 11.466 ( -9.780 -8.308 -2.895) 13.154 11.616 ( -20.199 2.958 2.261) 20.540 11.856 ( -11.234 -2.536 -14.453) 18.480 12.433 ( 4.410 -6.746 3.737) 8.883 12.498 ( 5.357 -2.579 -1.819) 6.217 12.851 ( 6.018 2.053 2.102) 6.697 12.997 ( 11.090 -2.745 -10.650) 15.618 13.592 ( -8.773 3.927 12.138) 15.483 13.783 ( -23.248 -4.610 -3.581) 23.969 14.059 ( -1.797 1.802 16.201) 16.399 14.392 ( -12.287 -4.230 -9.971) 16.380 14.673 ( -5.164 -14.911 5.873) 16.837 14.798 ( -13.170 -14.426 -3.475) 19.840 15.756 ( -3.687 15.341 16.569) 22.879 16.044 ( -11.674 13.800 -10.410) 20.859 16.436 ( 12.104 22.607 3.028) 25.822 16.551 ( 7.717 23.953 -6.170) 25.911 17.240 ( 4.949 4.983 5.844) 9.137 17.374 ( 4.493 2.959 -6.763) 8.642 19.769 ( -6.275 -19.173 7.392) 21.485 19.970 ( -5.862 -15.646 -11.858) 20.488 21.092 ( -1.447 1.337 10.789) 10.967 21.317 ( -2.705 1.448 -11.251) 11.662 22.372 ( 11.031 -4.154 5.317) 12.931 22.447 ( 10.649 -1.779 -2.231) 11.025 23.454 ( 2.684 -11.440 32.292) 34.363 24.203 ( 5.893 -13.308 -38.125) 40.809 26.496 ( 12.008 6.865 7.910) 15.933 26.602 ( 13.981 8.781 -2.734) 16.734 ======================= Grid point 502 (159/192) ======================= q-point: (-0.33 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( -30.288 23.677 8.891) 39.459 4.026 ( -21.445 22.306 -19.645) 36.653 4.220 ( -12.356 23.977 19.276) 33.153 4.688 ( -10.660 14.738 -25.073) 30.976 6.136 ( 5.208 6.658 23.392) 24.873 6.441 ( 0.925 4.641 -5.657) 7.376 6.997 ( -16.240 21.816 19.075) 33.219 7.209 ( -9.336 3.535 1.177) 10.052 7.500 ( -16.796 8.433 13.272) 23.007 7.710 ( -18.487 12.241 0.339) 22.175 7.914 ( -5.077 -9.908 -4.677) 12.076 7.950 ( 2.682 -11.884 -8.039) 14.596 8.642 ( -22.181 -12.830 1.648) 25.677 8.802 ( -27.130 -9.657 -12.558) 31.416 9.540 ( -15.813 -1.828 1.196) 15.963 9.651 ( -1.700 -3.058 16.514) 16.880 9.761 ( -19.853 -11.651 -3.031) 23.218 10.360 ( 7.493 -17.518 -33.232) 38.306 11.068 ( -27.492 -1.570 5.538) 28.088 11.162 ( -23.539 -0.951 -3.442) 23.808 11.545 ( 9.398 -11.861 19.431) 24.629 11.911 ( 5.417 -10.822 -13.608) 18.211 12.534 ( -4.484 3.363 -1.094) 5.711 12.576 ( -2.900 5.992 -5.470) 8.616 12.664 ( -15.277 4.595 12.983) 20.568 12.928 ( -15.148 -0.842 -8.412) 17.348 13.507 ( 2.918 -3.632 7.135) 8.521 13.611 ( 2.193 -14.233 -0.711) 14.418 14.052 ( -1.426 -0.073 9.500) 9.606 14.204 ( -12.230 -8.605 -4.234) 15.541 14.723 ( -1.261 -22.609 8.034) 24.027 14.861 ( 7.749 -13.422 -2.075) 15.637 15.653 ( 7.491 24.442 9.681) 27.335 15.861 ( 6.935 23.590 -9.140) 26.232 16.545 ( 17.818 25.051 3.539) 30.945 16.621 ( 16.100 23.956 -3.256) 29.047 17.309 ( 6.179 4.369 6.026) 9.673 17.451 ( 6.041 2.434 -7.349) 9.819 19.754 ( -11.613 -21.867 6.123) 25.505 19.945 ( -10.619 -18.843 -12.247) 24.856 21.020 ( -5.748 0.637 8.044) 9.908 21.199 ( -8.655 1.704 -9.612) 13.046 22.602 ( 10.093 -4.784 5.470) 12.437 22.656 ( 9.856 -2.701 -0.209) 10.222 23.550 ( -2.535 -14.952 35.957) 39.024 24.381 ( 1.742 -16.447 -41.429) 44.608 26.635 ( 9.209 9.175 9.164) 15.904 26.786 ( 13.174 11.002 -5.496) 18.023 ======================= Grid point 503 (160/192) ======================= q-point: (-0.27 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -21.061 26.440 19.884) 39.218 3.582 ( -7.009 26.738 -25.753) 37.779 3.816 ( -11.003 25.946 18.743) 33.846 4.370 ( -9.892 21.883 -29.531) 38.062 6.042 ( -18.993 16.923 38.277) 45.960 6.341 ( -20.421 26.791 21.442) 39.932 6.422 ( -0.081 0.582 -2.730) 2.792 7.015 ( -15.409 8.034 -14.274) 22.488 7.135 ( -20.290 6.322 1.220) 21.287 7.293 ( -9.902 -4.252 -0.357) 10.782 7.917 ( -3.999 -12.346 -0.538) 12.989 8.081 ( 1.093 -7.766 -10.250) 12.906 8.400 ( -13.029 -6.408 -0.192) 14.521 8.528 ( -6.906 -12.158 -6.987) 15.631 9.267 ( -15.416 -9.849 -1.625) 18.366 9.386 ( -15.521 -7.473 -13.438) 21.848 9.908 ( 6.339 -22.992 38.492) 45.282 10.529 ( -13.257 -2.933 -2.748) 13.853 10.678 ( -14.198 -17.211 -6.164) 23.148 10.860 ( -0.949 -0.399 -18.275) 18.304 11.701 ( -7.642 -1.497 8.877) 11.808 11.835 ( -24.646 9.189 -4.289) 26.650 12.132 ( -12.369 -1.772 7.558) 14.603 12.293 ( -3.066 -5.129 -6.197) 8.609 12.712 ( 4.662 2.040 6.563) 8.305 12.896 ( 4.250 -5.754 -5.486) 9.015 13.596 ( 2.335 -1.881 9.257) 9.730 13.781 ( 3.092 -5.848 -6.687) 9.406 14.053 ( 0.855 -8.730 5.492) 10.349 14.148 ( -1.986 -17.452 -4.063) 18.029 14.976 ( 8.810 -18.959 12.949) 24.592 15.146 ( 10.878 -15.171 3.363) 18.968 15.679 ( 15.735 27.630 9.893) 33.300 15.969 ( 22.422 20.081 -14.169) 33.268 16.716 ( 19.067 26.573 3.158) 32.858 16.757 ( 17.486 25.008 -0.595) 30.521 17.412 ( 7.809 3.323 6.584) 10.741 17.564 ( 7.533 1.645 -7.844) 10.999 19.632 ( -18.623 -21.225 5.255) 28.721 19.828 ( -17.116 -19.614 -13.858) 29.491 20.860 ( -11.722 -0.245 5.315) 12.873 20.990 ( -12.044 0.751 -7.424) 14.168 22.803 ( 8.229 -3.173 4.855) 10.067 22.843 ( 8.056 -3.262 1.472) 8.815 23.574 ( -7.544 -18.760 41.144) 45.844 24.503 ( -1.876 -18.568 -44.954) 48.674 26.703 ( 6.107 11.679 11.069) 17.211 26.921 ( 10.651 13.842 -10.083) 20.167 ======================= Grid point 504 (161/192) ======================= q-point: (-0.20 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 3.016 24.565 38.428) 45.708 3.258 ( -7.416 37.107 22.453) 44.001 3.602 ( 6.401 14.700 -31.930) 35.730 3.998 ( -11.776 27.066 -30.424) 42.389 5.166 ( -32.572 41.245 49.569) 72.244 6.138 ( -10.625 11.872 -11.251) 19.504 6.327 ( -23.594 10.504 -23.128) 34.669 6.431 ( -0.290 -2.704 -6.502) 7.048 6.984 ( -5.296 -7.945 27.301) 28.923 7.371 ( 8.275 -5.227 -2.964) 10.227 7.863 ( -11.599 -10.418 -6.857) 17.032 7.982 ( -12.438 1.891 -13.962) 18.794 8.317 ( 1.638 -4.124 16.233) 16.829 8.671 ( 8.926 -10.244 -13.183) 18.931 9.203 ( -4.917 -23.541 0.530) 24.055 9.271 ( -6.840 -19.050 -7.518) 21.592 10.102 ( -11.580 -18.809 24.834) 33.236 10.330 ( 4.910 -2.646 26.796) 27.370 10.520 ( -9.027 -8.103 -7.635) 14.333 11.030 ( 2.413 -10.313 -22.944) 25.271 11.271 ( -20.208 14.252 1.375) 24.766 11.349 ( -16.435 2.733 -8.612) 18.755 12.156 ( 1.502 -7.660 10.022) 12.703 12.342 ( 1.426 -1.758 -6.720) 7.091 12.767 ( 3.501 2.263 13.404) 14.037 13.059 ( 6.019 -9.263 -9.600) 14.635 13.637 ( 1.316 -1.923 7.905) 8.241 13.817 ( -0.070 -3.087 -8.095) 8.664 14.192 ( 3.232 -14.082 7.880) 16.458 14.319 ( 2.891 -20.743 -5.816) 21.736 15.174 ( 3.780 -3.519 15.871) 16.690 15.432 ( 5.193 -12.869 -5.303) 14.856 15.905 ( 24.672 11.350 25.745) 37.421 16.365 ( 25.290 9.591 -16.168) 31.511 16.872 ( 21.970 23.525 4.983) 32.572 16.946 ( 22.016 20.842 -2.366) 30.409 17.508 ( 2.561 3.955 6.138) 7.738 17.667 ( 2.804 2.337 -8.700) 9.435 19.354 ( -25.305 -15.258 6.847) 30.333 19.606 ( -19.607 -18.230 -17.530) 32.002 20.611 ( -13.224 -0.316 7.350) 15.133 20.780 ( -9.725 -0.509 -8.575) 12.976 22.934 ( 4.429 -0.353 4.096) 6.043 22.997 ( 5.973 -2.025 -0.505) 6.328 23.566 ( -8.611 -24.385 49.317) 55.686 24.589 ( -2.913 -19.341 -47.366) 51.246 26.694 ( 2.934 14.467 12.116) 19.097 26.969 ( 6.390 18.205 -15.144) 24.527 ======================= Grid point 505 (162/192) ======================= q-point: (-0.13 0.13 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 0.000 17.692 49.104) 52.194 2.869 ( 0.000 34.522 38.247) 51.523 3.567 ( 0.000 29.679 -19.187) 35.341 3.691 ( 0.000 11.766 -47.095) 48.543 4.546 ( 0.000 38.956 42.385) 57.568 5.699 ( 0.000 22.856 -56.359) 60.817 6.254 ( -0.000 -4.650 12.614) 13.444 6.450 ( -0.000 -2.926 -6.158) 6.817 6.993 ( -0.000 -8.045 34.605) 35.528 7.582 ( -0.000 -0.469 11.707) 11.716 7.696 ( -0.000 -13.638 -31.956) 34.744 7.831 ( 0.000 6.295 -11.374) 13.000 8.385 ( -0.000 -4.514 20.965) 21.445 8.825 ( -0.000 -4.711 -18.568) 19.156 9.359 ( -0.000 -27.993 2.017) 28.066 9.400 ( -0.000 -28.541 -1.804) 28.598 9.989 ( -0.000 -0.973 20.261) 20.285 10.434 ( -0.000 -4.828 -18.921) 19.527 10.609 ( -0.000 -25.298 37.873) 45.545 10.932 ( 0.000 17.843 0.507) 17.850 10.942 ( 0.000 18.656 -0.420) 18.661 11.337 ( -0.000 -23.359 -28.889) 37.151 12.203 ( -0.000 -2.892 6.582) 7.190 12.360 ( 0.000 0.010 -7.678) 7.678 12.799 ( 0.000 0.182 19.892) 19.892 13.191 ( -0.000 -9.195 -13.872) 16.643 13.667 ( -0.000 -2.166 7.269) 7.584 13.847 ( -0.000 -4.775 -8.641) 9.873 14.328 ( -0.000 -14.330 9.941) 17.440 14.494 ( -0.000 -19.384 -7.148) 20.660 15.214 ( 0.000 0.411 17.533) 17.538 15.513 ( -0.000 -0.586 -9.432) 9.451 16.165 ( -0.000 -3.383 24.140) 24.376 16.494 ( 0.000 14.118 -7.385) 15.932 17.242 ( -0.000 -0.578 4.157) 4.197 17.279 ( 0.000 16.165 8.150) 18.104 17.336 ( -0.000 -0.417 -4.624) 4.643 17.540 ( 0.000 12.467 -15.909) 20.212 19.096 ( -0.000 -10.018 17.326) 20.014 19.505 ( -0.000 -15.928 -21.818) 27.014 20.474 ( -0.000 -0.407 9.735) 9.743 20.682 ( -0.000 -0.412 -9.781) 9.790 22.974 ( 0.000 0.246 4.333) 4.340 23.061 ( 0.000 0.212 -3.808) 3.813 23.671 ( -0.000 -31.338 53.141) 61.693 24.693 ( -0.000 -19.102 -46.195) 49.988 26.608 ( 0.000 17.167 10.889) 20.329 26.879 ( 0.000 24.613 -16.781) 29.789 ======================= Grid point 510 (163/192) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.873 ( 12.255 -0.000 11.775) 16.995 4.998 ( 18.364 -0.000 -1.093) 18.397 5.213 ( 24.234 -0.000 21.940) 32.691 5.726 ( 16.404 -0.000 -25.869) 30.631 5.916 ( 16.853 -0.000 4.585) 17.466 6.007 ( 8.748 -0.000 -4.943) 10.048 6.719 ( 4.703 -0.000 7.339) 8.717 6.932 ( 3.978 -0.000 -12.862) 13.463 7.302 ( -5.203 0.000 9.525) 10.854 7.515 ( -7.412 0.000 -9.536) 12.078 8.561 ( 2.011 -0.000 6.259) 6.574 8.646 ( 12.749 -0.000 -0.561) 12.761 9.883 ( -0.092 0.000 -1.181) 1.185 9.902 ( 18.099 -0.000 3.825) 18.498 10.162 ( 5.999 -0.000 11.564) 13.027 10.478 ( 6.467 -0.000 -14.054) 15.471 10.741 ( -25.969 0.000 11.050) 28.222 10.770 ( -1.191 0.000 14.873) 14.921 11.036 ( -2.310 0.000 -9.200) 9.486 11.324 ( 2.947 -0.000 -28.645) 28.796 12.357 ( 1.366 -0.000 9.823) 9.917 12.485 ( -18.871 0.000 -4.404) 19.378 12.510 ( 0.250 -0.000 7.640) 7.644 12.771 ( 22.509 -0.000 -14.666) 26.865 13.167 ( 6.627 -0.000 11.555) 13.320 13.178 ( 1.571 -0.000 3.915) 4.219 13.470 ( -5.946 0.000 13.838) 15.061 13.801 ( -2.168 0.000 -7.092) 7.416 14.189 ( -14.292 0.000 -3.681) 14.758 14.292 ( -2.170 0.000 -17.513) 17.647 14.920 ( 12.440 -0.000 7.253) 14.400 15.025 ( 8.102 -0.000 -0.880) 8.149 15.874 ( 21.485 -0.000 24.685) 32.726 16.337 ( 22.214 -0.000 -17.608) 28.346 16.539 ( 27.962 -0.000 12.397) 30.587 16.844 ( 22.887 -0.000 -16.265) 28.078 17.046 ( 6.798 -0.000 11.599) 13.444 17.245 ( 7.378 -0.000 -7.453) 10.487 20.135 ( -12.844 0.000 4.416) 13.582 20.249 ( -9.462 0.000 -6.507) 11.483 21.014 ( -3.520 0.000 10.597) 11.166 21.236 ( -4.090 0.000 -10.784) 11.533 22.164 ( -4.762 0.000 1.220) 4.916 22.164 ( -5.708 0.000 1.463) 5.893 23.776 ( -28.042 0.000 10.735) 30.026 24.052 ( -19.179 0.000 -15.519) 24.671 25.702 ( -0.721 0.000 7.880) 7.913 25.832 ( 2.014 -0.000 -4.672) 5.088 ======================= Grid point 511 (164/192) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.035 ( 6.176 0.007 15.564) 16.745 5.292 ( 14.434 -1.381 -8.352) 16.734 5.603 ( 17.625 5.206 10.806) 21.319 5.863 ( 3.786 -0.115 -12.282) 12.853 6.138 ( 13.731 18.087 2.511) 22.847 6.249 ( 14.767 15.690 -8.089) 23.015 6.834 ( 0.764 -21.642 11.270) 24.413 7.075 ( 3.057 -19.626 -11.449) 22.926 7.265 ( -0.255 -6.169 6.229) 8.771 7.427 ( -2.632 -3.561 -7.619) 8.812 8.562 ( -1.565 0.272 14.456) 14.543 8.844 ( 7.014 0.212 -11.716) 13.657 9.979 ( -5.408 1.070 13.086) 14.200 10.002 ( -16.207 -0.656 10.448) 19.294 10.103 ( -16.426 1.231 7.856) 18.250 10.284 ( 18.429 1.623 -3.709) 18.868 10.567 ( -0.508 2.929 -1.881) 3.518 10.708 ( -9.691 -0.568 -14.245) 17.238 11.109 ( 13.512 -0.398 3.607) 13.991 11.379 ( -4.823 -0.627 -17.007) 17.688 12.037 ( -16.282 2.610 1.629) 16.570 12.162 ( -8.857 1.879 -11.305) 14.484 12.789 ( 13.088 0.984 15.471) 20.288 12.941 ( -5.341 0.570 -0.068) 5.371 13.106 ( -10.822 8.848 1.815) 14.096 13.256 ( 5.400 5.073 -10.003) 12.449 13.622 ( 22.624 4.950 21.861) 31.847 13.732 ( 0.045 4.213 0.906) 4.310 13.942 ( -13.267 -6.991 4.051) 15.534 14.416 ( 10.263 -7.626 -29.124) 31.807 15.060 ( 0.494 -3.513 4.807) 5.975 15.137 ( 1.301 -5.667 -1.234) 5.944 16.143 ( 5.752 -3.351 24.028) 24.933 16.597 ( 6.066 0.893 -16.873) 17.952 16.910 ( 11.178 -1.234 9.336) 14.616 17.120 ( 8.028 0.098 -10.172) 12.958 17.256 ( 13.956 0.506 10.916) 17.725 17.473 ( 15.175 3.864 -9.400) 18.264 19.904 ( -11.391 0.060 7.564) 13.674 20.085 ( -7.793 0.181 -9.618) 12.380 20.963 ( -1.461 -0.208 9.723) 9.834 21.163 ( -2.906 0.022 -9.821) 10.242 22.073 ( -4.007 1.183 4.083) 5.842 22.119 ( -0.772 0.105 -0.347) 0.853 23.303 ( -19.789 2.702 17.245) 26.387 23.757 ( -11.653 -0.114 -25.705) 28.223 25.740 ( 4.240 -1.446 11.124) 11.992 25.907 ( 5.630 -1.092 -5.343) 7.838 ======================= Grid point 512 (165/192) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.114 ( 3.211 2.671 19.855) 20.290 5.509 ( 7.222 3.280 -16.144) 17.987 5.770 ( 6.956 10.511 6.532) 14.197 5.925 ( 2.980 0.887 -6.613) 7.308 6.189 ( 9.513 21.492 2.527) 23.638 6.295 ( 8.006 25.286 -6.720) 27.362 7.017 ( 0.329 -22.143 11.408) 24.911 7.223 ( -1.681 -14.767 -6.111) 16.070 7.393 ( 2.515 -18.751 3.552) 19.249 7.533 ( 4.871 -22.570 -7.776) 24.364 8.513 ( -3.515 0.082 18.970) 19.293 8.887 ( -2.250 0.969 -16.788) 16.966 9.410 ( -31.450 -4.364 6.658) 32.442 9.560 ( -26.965 -3.163 -7.350) 28.127 10.321 ( -0.861 7.702 8.696) 11.649 10.452 ( 2.654 0.483 -1.438) 3.057 10.487 ( -1.120 5.043 8.061) 9.574 10.632 ( 2.345 -1.804 0.337) 2.978 11.194 ( -4.577 -1.816 5.116) 7.101 11.404 ( 18.462 0.240 -13.928) 23.127 11.903 ( 2.917 2.089 1.918) 4.068 12.130 ( 1.212 1.683 -16.752) 16.880 12.688 ( -15.575 11.675 1.127) 19.497 12.724 ( -12.405 8.763 -1.783) 15.292 12.998 ( 2.522 4.556 15.150) 16.020 13.175 ( -9.189 4.305 -1.928) 10.329 13.680 ( -10.473 -3.964 -1.096) 11.252 13.793 ( 8.665 2.328 -10.300) 13.660 14.121 ( 21.278 1.976 26.404) 33.968 14.645 ( 3.839 -9.571 -21.729) 24.051 14.997 ( -10.763 -7.910 6.080) 14.676 15.168 ( -0.853 -5.612 -9.207) 10.816 16.156 ( -6.272 -5.771 23.292) 24.802 16.570 ( -7.350 0.023 -13.581) 15.442 17.034 ( 2.714 -0.322 8.475) 8.905 17.206 ( 2.471 1.373 -7.566) 8.077 17.413 ( 2.300 2.686 8.532) 9.235 17.613 ( 3.192 8.446 -9.826) 13.344 19.726 ( -8.563 -2.005 10.160) 13.437 19.963 ( -5.895 -1.142 -12.243) 13.636 20.975 ( 2.547 -0.332 9.117) 9.472 21.153 ( 2.082 -0.069 -8.552) 8.802 22.002 ( -2.354 0.806 6.497) 6.957 22.113 ( 0.336 0.682 -4.178) 4.246 23.063 ( -4.502 0.770 23.247) 23.691 23.646 ( -0.791 -0.754 -31.962) 31.981 25.878 ( 9.626 -0.806 12.146) 15.519 26.052 ( 9.489 -0.112 -5.209) 10.826 ======================= Grid point 513 (166/192) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.099 ( -1.376 6.853 19.478) 20.694 5.482 ( -3.605 9.899 -14.883) 18.235 5.711 ( -4.207 14.452 6.146) 16.258 5.873 ( -6.168 12.730 -6.079) 15.396 6.202 ( 7.812 21.002 4.620) 22.879 6.322 ( 11.724 13.288 -6.053) 18.726 7.152 ( 0.658 -13.512 6.161) 14.865 7.280 ( -0.767 -12.448 -3.669) 13.001 7.566 ( -1.553 -22.794 9.845) 24.877 7.801 ( 1.284 -28.813 -10.988) 30.864 8.389 ( -11.548 0.336 16.957) 20.519 8.668 ( -19.303 -0.773 -9.822) 21.672 9.096 ( -8.779 -7.886 0.879) 11.834 9.236 ( -8.970 -12.170 -10.612) 18.471 9.951 ( -21.590 9.274 4.257) 23.880 10.079 ( -24.395 8.117 -8.301) 27.016 10.655 ( 5.419 -2.420 7.251) 9.370 10.739 ( 5.488 -2.462 0.230) 6.019 11.434 ( 21.069 1.108 17.818) 27.616 11.703 ( 6.217 -0.755 -4.045) 7.455 11.972 ( -5.552 9.761 -0.660) 11.249 12.026 ( 3.297 6.371 -3.670) 8.058 12.358 ( -8.297 7.800 -5.894) 12.823 12.454 ( -8.663 6.519 -9.113) 14.163 12.851 ( -13.166 1.957 3.412) 13.741 12.953 ( -14.080 -1.478 -3.715) 14.637 13.614 ( 2.157 -1.165 13.512) 13.733 13.946 ( 9.086 4.414 -14.973) 18.062 14.342 ( 0.876 -0.241 14.327) 14.356 14.638 ( -13.823 -18.155 -13.988) 26.764 14.833 ( -10.551 -6.103 14.653) 19.060 15.171 ( -2.437 3.743 -14.309) 14.990 16.064 ( -6.483 -5.603 19.611) 21.401 16.398 ( -9.314 -1.246 -9.296) 13.218 17.012 ( -5.625 2.682 7.354) 9.639 17.179 ( -3.602 6.373 -5.340) 9.061 17.342 ( -3.945 3.205 3.744) 6.313 17.490 ( -5.955 11.519 -7.957) 15.214 19.612 ( -7.049 -6.098 11.312) 14.657 19.877 ( -5.543 -4.173 -13.776) 15.424 21.047 ( 4.399 0.048 10.019) 10.942 21.231 ( 5.456 -0.266 -8.387) 10.010 22.002 ( 3.082 -0.221 7.373) 7.994 22.142 ( 3.930 0.734 -6.236) 7.407 23.087 ( 4.934 -1.778 25.505) 26.038 23.713 ( 5.623 -3.187 -33.763) 34.376 26.095 ( 13.421 0.727 11.206) 17.499 26.251 ( 12.272 1.661 -4.298) 13.108 ======================= Grid point 514 (167/192) ======================= q-point: (-0.53 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.965 ( -6.803 10.152 16.473) 20.511 5.274 ( -8.671 18.102 -5.588) 20.835 5.416 ( -15.491 12.192 -5.390) 20.437 5.532 ( -15.504 21.943 -8.193) 28.089 6.212 ( 7.666 17.951 13.565) 23.770 6.440 ( 8.057 8.453 -6.624) 13.426 7.235 ( -0.283 -9.990 8.778) 13.302 7.389 ( 1.750 -12.494 -1.926) 12.762 7.627 ( -7.688 -19.235 10.237) 23.106 7.878 ( -12.611 -13.489 -10.045) 21.021 8.191 ( -8.666 -12.448 6.958) 16.687 8.347 ( -15.287 -2.206 -7.407) 17.130 9.056 ( -6.720 -5.120 3.768) 9.250 9.216 ( -9.324 -5.043 -8.555) 13.622 9.553 ( -11.341 1.613 5.601) 12.751 9.748 ( -1.629 -2.360 -13.059) 13.370 10.619 ( -15.422 2.718 8.444) 17.792 10.768 ( -8.646 -2.730 -5.847) 10.788 11.368 ( -18.377 12.309 17.300) 28.081 11.536 ( -5.629 6.203 1.385) 8.490 11.998 ( -2.401 6.440 2.807) 7.424 12.141 ( 13.580 2.612 -2.431) 14.041 12.160 ( -13.178 -0.200 -7.614) 15.221 12.352 ( -4.206 -5.471 -8.664) 11.077 12.736 ( -3.777 -3.511 -3.356) 6.153 12.752 ( 5.839 -0.904 -4.557) 7.462 13.698 ( 4.705 1.920 17.038) 17.780 14.011 ( -2.716 0.836 -11.193) 11.548 14.205 ( -14.227 -6.444 7.597) 17.368 14.447 ( -19.460 -18.709 -14.479) 30.633 14.683 ( -9.750 -0.238 16.945) 19.551 14.976 ( -13.809 5.567 -9.225) 17.515 15.997 ( -3.241 0.846 17.592) 17.908 16.291 ( -4.850 -1.920 -9.597) 10.922 16.799 ( -6.010 13.452 7.434) 16.503 16.999 ( -5.288 15.363 -8.420) 18.300 17.285 ( 1.236 4.761 2.913) 5.717 17.386 ( 1.790 5.687 -4.763) 7.631 19.546 ( -7.252 -11.906 10.957) 17.731 19.813 ( -6.483 -8.817 -14.424) 18.105 21.112 ( 2.472 1.003 11.500) 11.806 21.323 ( 3.386 -0.018 -9.399) 9.991 22.119 ( 8.412 -1.832 7.155) 11.194 22.251 ( 7.858 -0.106 -5.749) 9.737 23.216 ( 5.800 -3.935 26.805) 27.706 23.869 ( 6.764 -6.642 -34.774) 36.043 26.345 ( 14.249 2.360 9.549) 17.314 26.472 ( 13.405 3.320 -3.221) 14.181 ======================= Grid point 515 (168/192) ======================= q-point: (-0.47 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.657 ( -19.256 14.951 11.947) 27.149 4.880 ( -14.727 25.675 1.152) 29.621 4.971 ( -20.585 18.925 -8.760) 29.303 5.152 ( -8.581 15.465 -16.034) 23.872 6.221 ( 5.142 12.446 18.855) 23.169 6.495 ( 3.578 5.416 -6.334) 9.070 7.279 ( -2.475 -6.509 14.974) 16.514 7.417 ( -10.583 -7.142 6.754) 14.444 7.585 ( -9.244 -17.757 -0.517) 20.026 7.738 ( -2.919 -5.345 -9.614) 11.381 8.022 ( -12.419 4.734 9.661) 16.432 8.227 ( -5.764 -7.180 -8.254) 12.365 8.877 ( -16.407 -6.868 0.173) 17.787 8.925 ( -17.597 -1.765 -5.885) 18.639 9.577 ( 3.425 -4.130 11.697) 12.869 9.901 ( 5.787 -5.283 -16.602) 18.358 10.022 ( -34.393 7.656 13.481) 37.726 10.371 ( -28.210 3.126 -17.394) 33.289 11.198 ( -2.410 -4.026 15.165) 15.874 11.367 ( -12.546 -4.628 -1.144) 13.422 11.666 ( -22.875 3.899 -0.923) 23.224 11.832 ( -15.834 -0.480 -11.625) 19.649 12.333 ( 3.730 -8.363 4.271) 10.104 12.462 ( 11.029 -2.913 -6.223) 12.995 12.863 ( 11.734 -0.933 3.738) 12.350 12.998 ( 14.014 2.313 -8.222) 16.412 13.659 ( -10.555 5.107 8.647) 14.569 13.723 ( -26.341 -3.654 3.335) 26.802 14.026 ( -9.039 -9.104 6.712) 14.479 14.274 ( -10.843 -8.979 -10.820) 17.756 14.503 ( -9.724 -7.901 8.400) 15.085 14.665 ( -15.752 -4.476 -4.478) 16.977 15.951 ( 4.142 11.974 14.271) 19.084 16.193 ( -1.893 7.627 -8.080) 11.271 16.741 ( 11.428 19.249 4.464) 22.826 16.876 ( 7.078 20.793 -6.531) 22.915 17.313 ( 4.908 5.282 4.185) 8.337 17.414 ( 3.961 3.032 -5.013) 7.072 19.503 ( -9.263 -17.826 9.521) 22.231 19.756 ( -8.726 -13.983 -14.649) 22.051 21.114 ( -1.250 1.734 11.486) 11.684 21.333 ( -2.269 0.836 -10.119) 10.404 22.315 ( 10.113 -3.530 7.109) 12.856 22.419 ( 9.177 -2.114 -3.224) 9.954 23.334 ( 2.947 -5.738 28.578) 29.297 24.037 ( 4.638 -9.963 -37.045) 38.641 26.571 ( 12.347 3.947 8.828) 15.683 26.694 ( 13.319 4.303 -3.277) 14.376 ======================= Grid point 516 (169/192) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.070 ( -26.445 23.860 7.545) 36.409 4.340 ( -20.695 21.346 -16.798) 34.149 4.579 ( -8.376 26.012 11.055) 29.478 4.909 ( -6.087 16.613 -19.108) 26.042 6.226 ( 2.014 6.070 20.125) 21.116 6.499 ( -0.037 3.483 -5.721) 6.698 7.170 ( -11.114 3.287 10.253) 15.474 7.187 ( -15.067 -5.635 7.667) 17.820 7.538 ( -6.499 -7.426 11.098) 14.851 7.772 ( -5.208 -2.136 4.743) 7.361 7.872 ( 2.994 -2.264 -4.540) 5.891 8.034 ( -15.507 24.616 -6.567) 29.826 8.421 ( -27.752 -14.185 7.859) 32.142 8.662 ( -22.133 -8.433 -12.671) 26.862 9.491 ( -16.962 -5.676 -0.215) 17.888 9.586 ( -13.782 -4.707 13.941) 20.160 9.700 ( -17.314 2.392 -6.592) 18.681 10.162 ( -0.847 -9.501 -25.966) 27.663 11.016 ( -23.703 -5.241 5.699) 24.935 11.139 ( -17.298 -3.891 -6.217) 18.788 11.390 ( 1.746 -7.624 19.415) 20.932 11.755 ( 2.536 -10.208 -12.549) 16.374 12.514 ( 7.711 -5.839 4.078) 10.496 12.643 ( 3.964 2.798 -8.525) 9.809 12.792 ( -22.313 10.450 6.418) 25.461 12.974 ( -19.168 6.155 -8.184) 21.732 13.402 ( -0.860 -11.612 8.201) 14.242 13.488 ( 4.171 -1.206 -0.387) 4.359 14.005 ( -7.162 -11.666 4.286) 14.345 14.076 ( -12.913 -4.473 -0.565) 13.677 14.444 ( -2.401 -14.951 10.344) 18.338 14.662 ( 5.947 -14.337 -7.120) 17.076 15.982 ( 11.534 21.474 9.811) 26.276 16.171 ( 9.863 19.601 -7.531) 23.199 16.878 ( 17.938 20.990 3.626) 27.848 16.947 ( 15.497 21.336 -2.399) 26.479 17.372 ( 5.146 4.782 4.610) 8.403 17.480 ( 4.912 1.649 -5.632) 7.653 19.444 ( -12.528 -21.433 7.786) 26.019 19.682 ( -11.651 -17.551 -15.091) 25.914 21.037 ( -5.945 1.677 9.124) 11.019 21.222 ( -8.734 1.517 -9.261) 12.820 22.526 ( 9.030 -5.419 9.196) 13.981 22.612 ( 9.335 -3.464 -0.526) 9.970 23.397 ( -1.235 -7.098 30.319) 31.164 24.172 ( 1.138 -12.772 -40.683) 42.656 26.738 ( 9.295 5.519 9.907) 14.663 26.897 ( 11.949 4.890 -5.466) 14.020 ======================= Grid point 517 (170/192) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -19.139 28.053 16.358) 37.694 3.923 ( -6.342 21.795 -28.954) 36.791 4.218 ( -10.081 29.265 20.029) 36.867 4.675 ( -5.490 20.742 -23.552) 31.860 6.171 ( -5.082 5.041 21.601) 22.756 6.440 ( -3.501 1.919 -4.849) 6.281 6.814 ( -25.060 28.357 21.505) 43.527 6.960 ( -12.328 -7.201 11.165) 18.125 7.260 ( -16.189 3.836 6.212) 17.759 7.416 ( -21.091 23.554 -11.966) 33.806 7.737 ( -3.183 -9.515 6.186) 11.787 8.023 ( 6.804 -2.638 -14.922) 16.610 8.246 ( -10.699 -14.201 0.180) 17.781 8.334 ( -11.496 -13.983 -7.810) 19.715 9.156 ( -22.648 -6.450 -3.697) 23.836 9.289 ( -18.990 -6.655 -15.487) 25.393 9.620 ( -1.263 -15.441 34.454) 37.777 10.235 ( -6.026 -25.250 -21.461) 33.681 10.639 ( -16.378 2.402 12.436) 20.704 10.913 ( -3.645 4.976 -14.775) 16.011 11.593 ( 5.660 -13.008 17.033) 22.167 11.886 ( -4.979 -4.115 -10.074) 11.968 12.161 ( -27.558 5.834 4.680) 28.555 12.257 ( -19.930 1.919 -3.416) 20.312 12.724 ( 6.742 -2.125 4.730) 8.506 12.885 ( 5.829 4.115 -6.931) 9.947 13.553 ( 3.838 -5.827 8.355) 10.885 13.676 ( 8.900 -6.927 -3.057) 11.685 13.905 ( -8.743 -16.441 -0.380) 18.625 13.958 ( -3.872 -5.022 -3.474) 7.231 14.665 ( 9.418 -20.704 17.978) 28.993 14.942 ( 11.031 -15.118 -4.778) 19.315 16.059 ( 14.806 25.454 8.489) 30.646 16.272 ( 17.488 21.617 -10.972) 29.892 17.066 ( 16.850 22.240 3.169) 28.082 17.091 ( 15.448 21.362 0.646) 26.370 17.449 ( 6.583 1.825 5.815) 8.971 17.578 ( 6.517 0.134 -6.494) 9.201 19.336 ( -15.384 -20.366 6.120) 26.247 19.564 ( -14.588 -16.640 -16.124) 27.381 20.865 ( -11.736 0.928 6.147) 13.281 21.004 ( -12.917 1.176 -7.536) 15.000 22.729 ( 8.366 -6.768 12.595) 16.567 22.801 ( 8.306 -2.707 1.479) 8.860 23.386 ( -5.861 -8.388 32.594) 34.163 24.262 ( -1.920 -15.106 -45.257) 47.750 26.836 ( 6.091 7.163 11.984) 15.233 27.057 ( 9.317 5.810 -9.388) 14.447 ======================= Grid point 518 (171/192) ======================= q-point: (-0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 0.636 27.477 32.731) 42.740 3.760 ( -8.399 33.199 14.283) 37.104 3.834 ( 4.145 17.454 -23.713) 29.734 4.378 ( -9.516 25.454 -27.895) 38.944 5.794 ( -21.269 41.961 37.918) 60.422 6.228 ( -7.723 7.083 11.958) 15.900 6.395 ( -2.346 -1.641 -9.359) 9.787 6.629 ( -28.942 25.537 -31.282) 49.682 6.868 ( -5.637 -6.899 22.773) 24.453 7.288 ( 4.986 -5.004 -11.859) 13.803 7.718 ( -8.620 -8.169 7.300) 13.940 8.016 ( -6.407 1.733 -15.082) 16.478 8.239 ( 1.804 -7.671 13.093) 15.282 8.483 ( 11.246 -16.758 -5.907) 21.028 8.893 ( -12.531 -18.740 0.630) 22.553 9.040 ( -15.141 -12.483 -13.924) 24.061 9.738 ( -3.974 -25.971 32.529) 41.814 10.257 ( -9.009 -22.394 -17.052) 29.554 10.415 ( -4.132 5.256 22.836) 23.794 10.934 ( 5.746 -0.958 -23.475) 24.187 11.456 ( -17.041 11.150 1.539) 20.423 11.489 ( -18.343 12.678 -1.610) 22.356 11.991 ( 1.371 -15.530 15.940) 22.296 12.272 ( 3.470 -8.771 -8.500) 12.697 12.813 ( 3.328 3.006 5.188) 6.858 12.969 ( 4.563 -1.345 -5.353) 7.162 13.602 ( -0.010 -3.250 8.293) 8.907 13.777 ( -0.538 -3.229 -7.872) 8.526 14.006 ( 3.001 -14.090 0.120) 14.406 14.023 ( 2.077 -18.053 -2.324) 18.320 14.991 ( 7.271 -21.084 18.967) 29.277 15.222 ( 7.457 -12.838 0.869) 14.872 16.175 ( 16.032 22.310 14.266) 30.956 16.528 ( 21.867 13.315 -16.803) 30.623 17.156 ( 9.464 15.680 3.785) 18.701 17.194 ( 10.257 14.021 -0.251) 17.374 17.571 ( 6.125 4.761 5.444) 9.477 17.695 ( 5.058 1.310 -6.338) 8.214 19.169 ( -14.622 -11.938 3.982) 19.292 19.381 ( -14.918 -11.154 -17.286) 25.412 20.610 ( -13.493 0.144 7.277) 15.331 20.776 ( -10.128 -0.109 -8.335) 13.117 22.921 ( 6.748 -2.519 7.811) 10.625 22.951 ( 6.724 -3.703 6.555) 10.095 23.312 ( -8.985 -11.556 39.336) 41.971 24.330 ( -2.545 -16.826 -49.534) 52.375 26.861 ( 2.952 9.205 13.860) 16.898 27.149 ( 5.483 7.744 -14.066) 16.967 ======================= Grid point 519 (172/192) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 0.000 22.590 43.566) 49.075 3.343 ( 0.000 31.803 35.062) 47.336 3.892 ( 0.000 16.112 -43.634) 46.513 4.006 ( 0.000 30.134 -25.970) 39.781 5.205 ( 0.000 52.080 36.403) 63.541 6.094 ( 0.000 31.821 -42.454) 53.056 6.191 ( -0.000 -4.014 11.827) 12.489 6.400 ( -0.000 -3.731 -8.270) 9.072 6.872 ( -0.000 -8.224 28.086) 29.265 7.477 ( -0.000 -15.880 -28.552) 32.671 7.583 ( 0.000 0.382 16.651) 16.655 7.911 ( 0.000 4.566 -14.210) 14.926 8.322 ( -0.000 -4.178 21.186) 21.594 8.768 ( -0.000 -3.073 -17.944) 18.205 8.947 ( -0.000 -29.385 2.018) 29.454 8.984 ( -0.000 -29.484 -1.455) 29.520 9.843 ( -0.000 -20.175 24.101) 31.431 10.295 ( -0.000 -14.852 -15.714) 21.622 10.394 ( -0.000 -4.318 30.902) 31.202 11.070 ( -0.000 -12.000 -27.198) 29.728 11.170 ( 0.000 15.474 1.000) 15.507 11.191 ( 0.000 16.146 -0.928) 16.172 12.111 ( -0.000 -10.922 13.262) 17.181 12.346 ( -0.000 -3.206 -7.433) 8.095 12.820 ( 0.000 3.123 10.079) 10.551 13.055 ( -0.000 -8.059 -7.617) 11.089 13.629 ( -0.000 -3.513 7.022) 7.852 13.793 ( -0.000 -3.231 -7.861) 8.499 14.123 ( -0.000 -13.406 3.674) 13.900 14.202 ( -0.000 -20.904 -5.119) 21.521 15.168 ( -0.000 -10.198 16.959) 19.789 15.388 ( -0.000 -14.060 -0.127) 14.061 16.238 ( 0.000 13.951 23.636) 27.446 16.678 ( 0.000 12.149 -14.633) 19.019 17.233 ( -0.000 -0.745 4.276) 4.341 17.329 ( -0.000 -0.539 -4.752) 4.783 17.508 ( 0.000 15.016 7.122) 16.620 17.695 ( 0.000 8.106 -9.686) 12.631 19.031 ( -0.000 -0.694 5.741) 5.783 19.286 ( -0.000 -12.316 -19.215) 22.823 20.467 ( -0.000 -0.517 9.740) 9.753 20.676 ( -0.000 -0.524 -9.769) 9.783 22.978 ( 0.000 0.312 4.302) 4.313 23.065 ( 0.000 0.269 -3.785) 3.795 23.309 ( -0.000 -20.313 56.323) 59.874 24.427 ( -0.000 -17.911 -50.779) 53.846 26.814 ( 0.000 11.730 14.276) 18.477 27.134 ( 0.000 11.770 -17.232) 20.868 ======================= Grid point 526 (173/192) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.135 ( 4.374 -0.000 19.927) 20.402 5.531 ( 9.321 -0.000 -17.117) 19.490 5.850 ( 8.893 -0.000 1.473) 9.014 5.924 ( 2.782 -0.000 -4.857) 5.597 6.494 ( 14.318 -0.000 4.305) 14.951 6.564 ( 9.524 -0.000 -2.029) 9.737 6.704 ( -2.088 0.000 14.466) 14.616 7.008 ( -0.668 0.000 -14.002) 14.018 7.258 ( 1.675 -0.000 4.705) 4.994 7.395 ( 0.640 -0.000 -6.954) 6.983 8.514 ( -3.360 0.000 19.412) 19.701 8.894 ( -1.511 0.000 -17.049) 17.116 9.378 ( -33.147 0.000 6.689) 33.815 9.536 ( -29.510 0.000 -8.056) 30.590 10.401 ( 16.149 -0.000 14.015) 21.383 10.418 ( -11.778 0.000 -0.625) 11.794 10.545 ( -5.479 0.000 -2.574) 6.054 10.610 ( 5.136 -0.000 4.639) 6.921 11.181 ( -5.031 0.000 6.863) 8.509 11.404 ( 17.185 -0.000 -13.452) 21.824 11.921 ( 3.754 -0.000 1.254) 3.958 12.143 ( 1.557 -0.000 -16.633) 16.706 12.749 ( -13.937 0.000 0.965) 13.970 12.807 ( -13.216 0.000 -2.669) 13.483 13.043 ( 1.840 -0.000 16.725) 16.826 13.226 ( -11.799 0.000 -2.169) 11.997 13.634 ( -11.035 0.000 2.498) 11.314 13.813 ( 9.361 -0.000 -12.413) 15.547 14.141 ( 23.095 -0.000 22.923) 32.540 14.554 ( 0.289 -0.000 -15.887) 15.890 14.938 ( -10.880 0.000 4.713) 11.857 15.132 ( 3.730 -0.000 -13.278) 13.792 16.116 ( -5.808 0.000 24.861) 25.530 16.569 ( -7.963 0.000 -16.853) 18.639 17.032 ( 3.370 -0.000 9.127) 9.730 17.215 ( 2.942 -0.000 -8.532) 9.025 17.434 ( 2.937 -0.000 12.263) 12.610 17.675 ( 3.320 -0.000 -10.746) 11.247 19.712 ( -9.420 0.000 10.469) 14.083 19.954 ( -6.527 0.000 -12.519) 14.119 20.973 ( 2.608 -0.000 9.206) 9.569 21.153 ( 2.015 -0.000 -8.662) 8.893 22.008 ( -2.757 0.000 6.527) 7.086 22.118 ( 0.377 -0.000 -4.005) 4.023 23.069 ( -5.630 0.000 22.543) 23.235 23.640 ( -1.231 0.000 -31.533) 31.557 25.871 ( 10.219 -0.000 12.406) 16.074 26.051 ( 10.080 -0.000 -5.437) 11.453 ======================= Grid point 527 (174/192) ======================= q-point: (-0.67 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.172 ( 0.110 2.813 19.834) 20.033 5.565 ( -3.787 2.503 -17.900) 18.467 5.905 ( -0.899 10.060 3.157) 10.582 5.989 ( 2.532 2.761 -4.111) 5.562 6.531 ( 7.725 23.812 5.906) 25.721 6.577 ( 4.066 20.952 2.668) 21.509 6.891 ( 4.049 -23.488 7.418) 24.962 7.059 ( -2.806 -17.600 -7.432) 19.310 7.317 ( 0.054 -9.830 3.865) 10.563 7.470 ( 2.626 -13.057 -8.808) 15.968 8.402 ( -11.595 0.875 17.391) 20.920 8.650 ( -23.755 -1.111 -7.466) 24.925 9.039 ( -12.275 -0.320 -5.568) 13.483 9.100 ( -4.529 -6.517 -9.673) 12.512 10.056 ( -22.754 4.505 3.096) 23.402 10.153 ( -27.014 2.325 -7.040) 28.013 10.629 ( 6.010 -1.038 8.069) 10.115 10.706 ( 3.774 -1.566 1.446) 4.334 11.446 ( 25.299 0.562 19.319) 31.836 11.682 ( 8.897 -1.122 -1.435) 9.081 12.082 ( -0.472 4.407 -5.569) 7.118 12.093 ( 4.416 2.547 -5.949) 7.834 12.459 ( -14.689 4.133 -5.029) 16.067 12.533 ( -10.155 3.766 -6.357) 12.559 12.897 ( -18.413 3.507 0.859) 18.763 12.935 ( -16.325 -1.086 -1.243) 16.409 13.581 ( 3.996 -2.163 18.226) 18.784 14.001 ( 9.530 2.598 -17.024) 19.683 14.324 ( -8.187 -0.341 2.712) 8.631 14.405 ( -15.947 -11.868 -6.961) 21.062 14.795 ( -1.505 -0.432 19.380) 19.444 15.223 ( 1.713 2.359 -17.529) 17.770 16.010 ( -4.197 -1.987 19.742) 20.281 16.375 ( -11.044 -1.213 -12.577) 16.781 17.038 ( -2.801 0.926 9.101) 9.567 17.233 ( -0.765 1.618 -9.056) 9.231 17.380 ( -5.191 1.708 11.301) 12.553 17.607 ( -6.646 4.413 -10.213) 12.959 19.551 ( -8.961 -2.262 12.273) 15.363 19.836 ( -7.030 -1.511 -14.650) 16.319 21.047 ( 4.761 -0.023 10.063) 11.132 21.229 ( 5.408 -0.113 -8.162) 9.792 22.001 ( 2.465 0.004 7.820) 8.199 22.149 ( 3.712 0.307 -6.617) 7.594 23.072 ( 4.149 -0.483 24.542) 24.895 23.682 ( 4.509 -1.076 -33.285) 33.606 26.100 ( 14.049 0.130 11.697) 18.281 26.265 ( 12.836 0.474 -4.682) 13.672 ======================= Grid point 528 (175/192) ======================= q-point: (-0.60 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( -5.713 6.531 15.465) 17.733 5.412 ( -9.450 4.284 -16.055) 19.116 5.681 ( -11.032 19.735 5.002) 23.156 5.827 ( -11.733 17.574 -7.939) 22.573 6.489 ( 4.622 20.433 9.214) 22.886 6.573 ( 6.081 10.705 1.889) 12.455 7.067 ( 0.650 -14.790 5.470) 15.783 7.146 ( -1.700 -19.273 4.025) 19.762 7.365 ( -4.988 -15.463 5.799) 17.252 7.629 ( 0.071 -18.565 -12.837) 22.571 8.076 ( -18.736 -3.553 9.302) 21.218 8.287 ( -16.141 -4.422 -13.419) 21.452 8.985 ( 1.139 -4.651 6.470) 8.049 9.210 ( 4.650 2.538 -10.663) 11.906 9.591 ( -20.130 3.334 4.201) 20.832 9.706 ( -15.298 -3.691 -7.004) 17.225 10.649 ( -8.242 1.688 4.829) 9.701 10.720 ( -6.070 -3.584 -1.829) 7.283 11.566 ( -16.647 13.280 13.961) 25.463 11.641 ( -7.610 7.160 3.843) 11.134 12.037 ( 1.146 1.059 7.743) 7.898 12.163 ( -2.184 3.106 2.861) 4.754 12.189 ( -4.202 -3.375 -10.361) 11.679 12.362 ( -15.945 8.595 -10.055) 20.718 12.659 ( -9.600 -7.485 -3.259) 12.601 12.730 ( 12.053 -1.865 -8.453) 14.839 13.702 ( 5.661 -0.775 19.118) 19.953 14.021 ( -10.623 0.834 -7.510) 13.036 14.068 ( -17.842 -10.753 0.141) 20.832 14.220 ( -9.508 -11.183 -15.832) 21.590 14.725 ( -8.609 4.063 19.454) 21.659 15.064 ( -15.697 5.359 -11.281) 20.059 16.005 ( 2.274 0.400 13.980) 14.169 16.251 ( -3.625 -2.986 -7.948) 9.232 16.942 ( -1.545 6.509 8.888) 11.125 17.158 ( -2.366 7.166 -9.194) 11.895 17.327 ( 1.055 1.551 6.194) 6.471 17.484 ( -0.427 6.679 -7.033) 9.709 19.408 ( -10.182 -7.061 12.789) 17.808 19.713 ( -8.725 -4.966 -16.169) 19.032 21.123 ( 3.065 0.567 11.588) 12.000 21.321 ( 3.562 -0.201 -8.204) 8.946 22.101 ( 7.697 -0.814 7.752) 10.954 22.250 ( 6.861 -0.036 -6.743) 9.620 23.178 ( 5.614 -1.556 24.703) 25.381 23.797 ( 5.605 -3.413 -33.624) 34.258 26.367 ( 14.647 0.909 10.056) 17.791 26.504 ( 13.385 1.328 -3.603) 13.925 ======================= Grid point 529 (176/192) ======================= q-point: (-0.53 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.845 ( -14.827 11.051 10.687) 21.358 5.124 ( -19.120 8.505 -15.812) 26.228 5.293 ( -11.338 26.054 2.911) 28.562 5.431 ( -11.016 21.012 -10.615) 25.991 6.404 ( -0.601 12.763 14.129) 19.049 6.582 ( 1.517 7.250 -1.874) 7.641 7.154 ( -1.674 -10.776 13.431) 17.300 7.229 ( -5.011 -17.205 6.737) 19.145 7.337 ( -9.649 -15.468 7.272) 19.627 7.680 ( -0.669 -5.158 -11.338) 12.474 7.922 ( -8.838 -18.223 4.110) 20.666 8.096 ( -9.150 -4.385 -12.834) 16.361 8.866 ( -13.972 3.935 5.595) 15.556 8.997 ( -14.376 8.918 -5.963) 17.937 9.510 ( 4.883 -4.720 8.719) 11.052 9.763 ( 5.208 -11.965 -12.640) 18.168 10.201 ( -30.557 13.240 8.082) 34.268 10.417 ( -26.067 2.229 -10.971) 28.369 11.217 ( -9.622 8.118 16.898) 21.072 11.350 ( -18.594 2.027 1.796) 18.791 11.722 ( -24.712 3.680 -3.522) 25.232 11.848 ( -17.500 2.806 -10.338) 20.518 12.167 ( -2.491 -15.455 5.923) 16.737 12.398 ( 8.620 -6.359 -13.871) 17.526 12.841 ( 17.977 -1.501 10.262) 20.755 13.036 ( 15.922 2.370 -7.553) 17.781 13.678 ( -24.047 -2.656 2.244) 24.297 13.717 ( -12.437 1.165 1.299) 12.559 13.843 ( -9.019 -11.001 9.971) 17.372 14.182 ( -3.174 -5.118 -15.550) 16.675 14.448 ( -16.026 -0.517 11.773) 19.892 14.635 ( -24.416 -0.767 -5.017) 24.937 16.094 ( 10.590 7.953 11.519) 17.552 16.270 ( 6.062 3.460 -4.534) 8.324 16.963 ( 10.070 11.480 5.368) 16.186 17.118 ( 6.318 12.514 -7.243) 15.779 17.378 ( 5.655 3.119 3.705) 7.445 17.480 ( 4.087 6.824 -4.496) 9.137 19.274 ( -12.257 -13.702 12.072) 21.994 19.584 ( -10.926 -9.823 -17.339) 22.728 21.138 ( -0.832 1.519 11.956) 12.081 21.340 ( -1.925 0.114 -8.130) 8.356 22.277 ( 9.679 -1.845 6.930) 12.046 22.389 ( 7.258 -2.033 -3.895) 8.484 23.279 ( 3.455 -2.380 24.950) 25.300 23.922 ( 3.910 -6.137 -35.030) 35.778 26.612 ( 12.633 1.950 8.884) 15.567 26.734 ( 12.415 1.602 -3.137) 12.905 ======================= Grid point 530 (177/192) ======================= q-point: (-0.47 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.384 ( -21.996 19.622 5.222) 29.935 4.610 ( -22.325 15.823 -15.186) 31.295 4.947 ( -7.031 25.032 6.003) 26.685 5.167 ( -4.055 19.446 -14.310) 24.482 6.313 ( -1.783 6.200 16.169) 17.408 6.542 ( -1.574 2.823 -4.894) 5.865 7.065 ( -16.202 -10.742 8.612) 21.261 7.152 ( -9.606 -4.285 7.551) 12.948 7.357 ( -0.802 -13.669 13.636) 19.324 7.756 ( 2.383 -8.145 -10.855) 13.778 7.837 ( -8.973 -3.270 9.331) 13.352 8.001 ( -8.172 -15.073 -4.087) 17.626 8.572 ( -17.016 14.288 0.203) 22.220 8.617 ( -18.541 10.732 -5.744) 22.180 9.404 ( -21.188 -3.787 4.667) 22.024 9.567 ( -25.362 1.638 -2.865) 25.576 9.769 ( -9.813 6.206 3.215) 12.048 10.075 ( -9.455 -4.276 -16.966) 19.888 10.947 ( -19.674 -3.170 7.089) 21.151 11.050 ( -9.958 -6.147 2.340) 11.934 11.360 ( -9.385 2.163 6.296) 11.507 11.635 ( -4.176 -6.629 -12.594) 14.832 12.350 ( 6.725 -17.621 9.376) 21.062 12.620 ( 7.161 -6.712 -14.380) 17.410 12.930 ( -21.303 8.579 4.871) 23.476 13.067 ( -18.882 6.238 -8.033) 21.447 13.295 ( -1.960 -2.746 11.760) 12.234 13.478 ( 1.959 -1.960 -5.707) 6.344 13.824 ( -6.381 -7.585 12.386) 15.864 14.049 ( -11.050 -1.037 -5.619) 12.440 14.288 ( -4.204 -8.246 6.483) 11.300 14.461 ( 2.281 -13.779 -7.419) 15.814 16.256 ( 15.434 16.749 9.352) 24.621 16.411 ( 14.507 13.967 -4.786) 20.699 17.115 ( 14.874 11.309 4.165) 19.143 17.205 ( 12.819 13.901 -3.154) 19.170 17.462 ( 6.230 7.542 1.707) 9.930 17.510 ( 3.371 4.368 -2.274) 5.967 19.154 ( -13.270 -18.994 10.530) 25.451 19.458 ( -11.319 -13.556 -18.457) 25.546 21.064 ( -5.949 2.065 9.853) 11.693 21.239 ( -8.594 0.828 -7.632) 11.524 22.460 ( 7.788 -3.509 9.920) 13.091 22.558 ( 8.893 -4.115 -0.654) 9.821 23.331 ( -0.032 -2.774 24.641) 24.797 24.019 ( 0.769 -8.685 -38.098) 39.083 26.798 ( 9.385 3.137 9.220) 13.525 26.937 ( 10.574 1.209 -4.309) 11.482 ======================= Grid point 531 (178/192) ======================= q-point: (-0.40 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.826 ( -17.885 25.922 11.822) 33.639 4.202 ( -7.942 16.962 -21.937) 28.845 4.625 ( -8.906 27.350 12.495) 31.361 4.962 ( -3.781 19.740 -18.567) 27.363 6.230 ( -4.031 3.957 16.225) 17.180 6.467 ( -5.642 1.428 -5.738) 8.173 6.824 ( -16.451 -9.901 9.617) 21.474 6.951 ( -13.030 -3.369 0.078) 13.459 7.405 ( -5.736 0.200 21.339) 22.098 7.627 ( -11.542 11.726 6.734) 17.778 7.800 ( -11.359 -5.259 5.467) 13.660 7.981 ( -7.692 9.167 -9.890) 15.525 8.031 ( -1.032 -4.901 2.854) 5.765 8.270 ( -15.147 6.812 -17.822) 24.361 9.060 ( -23.920 -7.025 -2.609) 25.066 9.173 ( -16.968 -9.318 -10.781) 22.158 9.513 ( -13.275 0.119 19.828) 23.862 9.929 ( -11.711 -17.039 -15.137) 25.624 10.671 ( -10.307 2.213 13.873) 17.424 10.979 ( -1.328 3.524 -14.721) 15.195 11.378 ( 4.812 -15.048 19.115) 24.798 11.750 ( 5.055 -12.801 -13.985) 19.621 12.262 ( -31.631 6.876 1.425) 32.401 12.317 ( -30.507 3.982 -3.679) 30.985 12.643 ( 7.148 -9.149 10.904) 15.927 12.936 ( 7.166 -0.776 -14.621) 16.301 13.426 ( 5.076 -7.759 12.554) 15.607 13.623 ( 7.000 -3.439 -6.532) 10.173 13.708 ( -8.733 -7.312 10.042) 15.185 13.916 ( -4.101 -1.164 -7.878) 8.958 14.428 ( 8.379 -12.873 14.219) 20.931 14.713 ( 10.580 -16.785 -10.045) 22.239 16.398 ( 14.678 22.052 8.133) 27.711 16.568 ( 15.500 19.714 -7.856) 26.279 17.334 ( 15.395 13.798 3.112) 20.906 17.353 ( 11.590 14.917 1.237) 18.931 17.470 ( 1.928 2.662 4.696) 5.732 17.567 ( 4.166 -1.439 -5.003) 6.667 19.058 ( -11.259 -18.272 9.623) 23.521 19.368 ( -7.802 -10.830 -19.850) 23.920 20.884 ( -12.076 1.682 6.656) 13.891 21.021 ( -13.468 1.121 -6.883) 15.166 22.632 ( 7.566 -6.342 18.188) 20.694 22.760 ( 9.468 -3.103 0.604) 9.982 23.311 ( -4.405 -2.961 23.612) 24.201 24.075 ( -2.217 -11.194 -42.809) 44.304 26.915 ( 6.050 4.225 10.872) 13.140 27.102 ( 7.902 0.951 -7.146) 10.697 ======================= Grid point 532 (179/192) ======================= q-point: (-0.33 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( -1.704 26.742 27.294) 38.249 4.083 ( 5.803 17.061 -23.899) 29.932 4.207 ( -12.290 29.526 14.446) 35.093 4.708 ( -9.064 20.761 -24.866) 33.638 6.118 ( -2.429 7.158 15.894) 17.600 6.337 ( -7.182 -0.139 -1.840) 7.415 6.516 ( -18.052 13.221 9.760) 24.411 6.766 ( -9.230 -3.235 -2.558) 10.110 6.997 ( -13.641 25.576 11.703) 31.260 7.364 ( -4.131 19.063 -17.645) 26.302 7.635 ( -5.055 -4.090 17.020) 18.220 7.974 ( -5.572 -11.859 -12.111) 17.843 8.120 ( 3.372 -7.413 4.060) 9.100 8.231 ( 10.019 -12.879 -2.040) 16.444 8.688 ( -20.310 -10.349 1.580) 22.849 8.919 ( -15.457 -5.420 -18.308) 24.566 9.419 ( -4.968 -17.844 29.171) 34.554 9.905 ( -7.556 -23.948 -16.761) 30.192 10.515 ( -3.071 7.489 21.258) 22.747 10.962 ( 2.502 3.721 -19.713) 20.216 11.561 ( -3.535 -1.928 9.467) 10.288 11.650 ( -16.325 8.701 -1.707) 18.578 11.765 ( -11.798 -9.296 11.819) 19.113 12.094 ( 2.491 -15.443 -13.636) 20.752 12.810 ( 4.338 -4.099 6.907) 9.128 13.026 ( 4.084 6.096 -10.776) 13.037 13.535 ( -0.282 -6.777 9.273) 11.489 13.656 ( -3.811 -16.402 1.653) 16.919 13.778 ( 5.147 -6.150 0.984) 8.080 13.915 ( 1.742 -2.994 -7.123) 7.921 14.697 ( 7.533 -17.898 19.242) 27.337 15.024 ( 8.703 -15.778 -7.847) 19.653 16.493 ( 12.663 21.852 9.829) 27.101 16.736 ( 16.721 15.582 -12.687) 26.141 17.301 ( -4.630 5.823 4.344) 8.614 17.367 ( 0.167 9.869 -1.041) 9.925 17.632 ( 10.250 3.114 3.259) 11.198 17.695 ( 6.580 -1.569 -3.494) 7.613 19.000 ( -6.382 -10.962 8.934) 15.514 19.312 ( -2.965 0.195 -20.851) 21.062 20.615 ( -14.282 0.604 7.114) 15.967 20.776 ( -10.919 0.166 -8.043) 13.563 22.837 ( 9.246 -7.333 25.624) 28.211 22.926 ( 6.190 -1.029 3.096) 6.998 23.213 ( -8.398 -3.551 22.122) 23.927 24.112 ( -2.762 -13.731 -48.341) 50.329 26.963 ( 2.924 5.446 12.884) 14.290 27.209 ( 4.459 1.419 -10.808) 11.778 ======================= Grid point 533 (180/192) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 0.000 24.149 38.524) 45.467 3.778 ( 0.000 29.432 30.221) 42.185 4.141 ( 0.000 18.467 -40.074) 44.124 4.391 ( 0.000 23.527 -27.956) 36.538 5.946 ( 0.000 47.086 27.391) 54.474 6.148 ( -0.000 -1.724 10.500) 10.640 6.353 ( -0.000 -2.647 -9.096) 9.474 6.543 ( 0.000 26.236 -25.941) 36.895 6.795 ( 0.000 1.215 23.012) 23.044 7.312 ( -0.000 -3.067 -25.349) 25.533 7.581 ( -0.000 -1.344 19.082) 19.129 7.940 ( -0.000 -1.909 -15.099) 15.219 8.271 ( -0.000 -2.618 21.026) 21.189 8.539 ( -0.000 -27.348 2.505) 27.463 8.584 ( -0.000 -25.007 -1.838) 25.074 8.740 ( -0.000 -0.889 -19.801) 19.821 9.520 ( -0.000 -22.313 26.443) 34.599 9.996 ( -0.000 -23.907 -18.749) 30.383 10.440 ( 0.000 7.119 27.236) 28.151 10.990 ( -0.000 -0.823 -22.631) 22.646 11.369 ( 0.000 12.383 1.411) 12.463 11.398 ( 0.000 12.933 -1.328) 13.001 11.883 ( -0.000 -20.665 19.242) 28.237 12.236 ( -0.000 -12.673 -11.802) 17.317 12.860 ( 0.000 0.572 4.857) 4.891 13.022 ( 0.000 4.274 -6.979) 8.184 13.564 ( -0.000 -5.419 8.235) 9.859 13.723 ( -0.000 -9.369 -6.638) 11.482 13.914 ( -0.000 -17.001 1.686) 17.085 13.974 ( -0.000 -6.813 -3.384) 7.607 14.914 ( -0.000 -20.932 21.513) 30.016 15.209 ( -0.000 -12.674 -2.931) 13.009 16.494 ( 0.000 20.044 15.122) 25.109 16.852 ( 0.000 12.482 -16.126) 20.393 17.222 ( -0.000 -0.785 4.414) 4.483 17.321 ( -0.000 -0.569 -4.899) 4.932 17.683 ( 0.000 8.840 4.135) 9.760 17.762 ( 0.000 1.495 -3.611) 3.909 18.988 ( -0.000 -5.754 5.414) 7.900 19.245 ( 0.000 6.479 -19.895) 20.923 20.459 ( -0.000 -0.537 9.744) 9.759 20.668 ( -0.000 -0.545 -9.754) 9.769 22.983 ( 0.000 0.323 4.267) 4.279 23.069 ( 0.000 0.278 -3.760) 3.770 23.074 ( -0.000 -13.243 54.824) 56.401 24.188 ( -0.000 -15.541 -51.270) 53.574 26.946 ( 0.000 7.077 14.240) 15.902 27.237 ( 0.000 3.385 -13.863) 14.270 ======================= Grid point 542 (181/192) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.137 ( -5.360 0.000 14.805) 15.745 5.441 ( -9.755 0.000 -14.944) 17.846 5.844 ( -9.375 0.000 3.104) 9.876 5.966 ( -9.254 0.000 -7.044) 11.629 6.699 ( 3.723 -0.000 10.082) 10.748 6.741 ( -4.716 0.000 6.603) 8.115 6.852 ( 7.213 -0.000 8.688) 11.292 6.948 ( -0.329 0.000 -4.707) 4.718 7.245 ( -4.264 0.000 5.956) 7.324 7.475 ( 3.134 -0.000 -9.909) 10.393 8.055 ( -21.739 0.000 6.497) 22.689 8.253 ( -16.144 0.000 -15.594) 22.445 8.949 ( 3.968 -0.000 9.036) 9.869 9.234 ( 13.338 -0.000 -14.091) 19.402 9.640 ( -26.563 0.000 -0.017) 26.563 9.653 ( -20.547 0.000 0.755) 20.561 10.671 ( -3.162 0.000 1.996) 3.740 10.681 ( -8.122 0.000 1.426) 8.246 11.677 ( -8.068 0.000 11.933) 14.404 11.694 ( -7.285 0.000 5.236) 8.971 12.092 ( -10.214 0.000 -1.720) 10.358 12.099 ( 2.723 -0.000 5.460) 6.101 12.194 ( -12.366 0.000 0.064) 12.366 12.497 ( -17.491 0.000 -16.165) 23.817 12.544 ( -10.336 0.000 2.685) 10.679 12.713 ( 14.252 -0.000 -11.056) 18.038 13.693 ( 6.397 -0.000 20.019) 21.016 13.977 ( -18.386 0.000 -0.142) 18.386 14.030 ( -19.345 0.000 -5.375) 20.077 14.139 ( 1.090 -0.000 -19.446) 19.477 14.759 ( -8.888 0.000 19.795) 21.699 15.105 ( -16.611 0.000 -11.684) 20.309 16.008 ( 4.318 -0.000 12.051) 12.801 16.226 ( -2.774 0.000 -6.641) 7.198 16.988 ( -0.165 0.000 8.908) 8.910 17.208 ( -1.376 0.000 -11.655) 11.736 17.338 ( 0.847 -0.000 10.519) 10.553 17.537 ( -0.886 0.000 -8.597) 8.642 19.356 ( -11.380 0.000 13.600) 17.733 19.677 ( -9.545 0.000 -16.854) 19.369 21.127 ( 3.325 -0.000 11.620) 12.086 21.319 ( 3.576 -0.000 -7.708) 8.497 22.095 ( 7.461 -0.000 7.853) 10.833 22.250 ( 6.446 -0.000 -7.099) 9.589 23.168 ( 5.590 -0.000 23.908) 24.553 23.773 ( 5.213 -0.000 -33.124) 33.531 26.373 ( 14.791 -0.000 10.209) 17.972 26.513 ( 13.337 -0.000 -3.718) 13.845 ======================= Grid point 544 (182/192) ======================= q-point: (-0.60 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( -12.916 4.204 8.931) 16.256 5.200 ( -16.404 2.605 -14.090) 21.780 5.602 ( -10.775 14.260 -1.321) 17.922 5.664 ( -15.008 9.010 -7.130) 18.901 6.563 ( -6.866 8.503 10.856) 15.405 6.700 ( -2.042 7.291 0.249) 7.575 6.970 ( -0.369 -10.629 4.975) 11.741 7.014 ( -0.539 -11.924 2.632) 12.223 7.189 ( -2.158 -4.396 24.067) 24.561 7.544 ( -0.993 -10.514 -4.935) 11.657 7.747 ( -12.541 -4.465 0.859) 13.340 8.059 ( -6.121 -1.226 -27.108) 27.817 8.926 ( -11.284 2.846 14.302) 18.439 9.127 ( -18.711 7.076 -2.580) 20.170 9.464 ( 4.734 -1.004 3.461) 5.950 9.597 ( 10.904 -9.450 -8.972) 16.991 10.338 ( -26.449 5.309 1.680) 27.028 10.424 ( -24.006 -0.722 -6.819) 24.966 11.390 ( -22.525 2.403 6.729) 23.631 11.422 ( -12.325 16.700 15.334) 25.806 11.761 ( -24.324 1.870 -2.839) 24.561 11.892 ( -23.160 -8.270 -1.291) 24.626 11.921 ( -7.233 -6.099 2.310) 9.739 12.298 ( 1.803 -5.860 -23.353) 24.145 12.828 ( 24.203 -0.343 14.133) 28.030 13.057 ( 17.084 0.606 -6.722) 18.369 13.649 ( -21.210 -1.221 -1.235) 21.281 13.658 ( -18.830 -4.279 -2.549) 19.478 13.805 ( 3.667 0.918 11.754) 12.347 14.129 ( -2.033 -2.016 -14.961) 15.233 14.456 ( -19.962 0.688 11.234) 22.916 14.630 ( -31.141 -0.124 -4.936) 31.530 16.174 ( 14.444 3.050 9.318) 17.458 16.298 ( 10.429 0.709 -1.724) 10.594 17.067 ( 8.604 3.445 5.306) 10.679 17.230 ( 5.031 3.580 -9.319) 11.179 17.406 ( 6.623 1.076 8.294) 10.668 17.575 ( 5.947 4.470 -7.359) 10.464 19.132 ( -14.623 -5.482 14.374) 21.225 19.486 ( -12.196 -3.585 -19.212) 23.037 21.154 ( -0.447 0.629 12.198) 12.222 21.339 ( -1.792 -0.099 -6.540) 6.782 22.262 ( 9.946 -0.414 5.836) 11.540 22.366 ( 5.564 -0.936 -4.074) 6.960 23.259 ( 3.769 -0.614 22.905) 23.221 23.864 ( 3.578 -2.070 -33.541) 33.795 26.630 ( 12.861 0.584 8.689) 15.532 26.746 ( 11.779 0.346 -2.870) 12.128 ======================= Grid point 545 (183/192) ======================= q-point: (-0.53 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.610 ( -17.665 11.529 2.132) 21.202 4.777 ( -23.299 7.568 -13.117) 27.788 5.266 ( -9.438 18.355 3.533) 20.939 5.427 ( -4.275 15.023 -11.857) 19.610 6.404 ( -4.261 6.695 11.074) 13.624 6.581 ( -5.202 2.159 -4.520) 7.222 6.907 ( -14.508 -10.399 11.057) 20.997 7.060 ( -4.479 -7.789 -0.832) 9.024 7.222 ( 1.977 -4.062 31.983) 32.301 7.585 ( -6.666 -20.270 2.922) 21.537 7.609 ( -8.868 -10.762 -8.240) 16.198 7.994 ( -0.866 4.500 -23.146) 23.595 8.629 ( -13.561 3.723 12.901) 19.083 8.817 ( -11.396 5.022 -5.162) 13.481 9.448 ( -18.772 9.300 7.907) 22.392 9.616 ( -18.627 4.456 -5.811) 20.015 9.838 ( -13.684 2.260 1.325) 13.933 10.003 ( -16.820 -6.240 -11.620) 21.374 10.947 ( -19.503 1.184 8.930) 21.483 11.045 ( -12.579 8.706 5.970) 16.421 11.410 ( -10.932 3.649 -2.237) 11.740 11.551 ( -14.223 -6.502 -10.904) 19.065 12.041 ( 4.288 -22.506 17.968) 29.116 12.484 ( 8.344 -10.045 -19.813) 23.729 13.033 ( -23.150 5.698 4.029) 24.179 13.143 ( -16.991 4.048 -5.404) 18.283 13.291 ( 0.552 0.584 7.465) 7.508 13.412 ( 2.703 -5.559 -2.077) 6.521 13.844 ( -0.094 7.959 7.944) 11.246 14.046 ( -10.162 0.612 -6.823) 12.256 14.189 ( -6.751 -5.812 2.549) 9.266 14.273 ( -2.963 -12.313 -4.520) 13.447 16.450 ( 18.939 10.117 8.442) 23.072 16.562 ( 19.118 6.948 -1.530) 20.399 17.206 ( 8.750 2.799 3.882) 9.973 17.322 ( 7.401 3.075 -6.459) 10.293 17.539 ( 8.463 4.732 5.621) 11.208 17.647 ( 5.940 10.770 -4.077) 12.957 18.921 ( -14.213 -12.828 14.534) 24.038 19.305 ( -10.439 -7.574 -21.835) 25.359 21.091 ( -5.822 1.544 10.237) 11.877 21.246 ( -8.368 0.125 -5.567) 10.052 22.432 ( 6.657 -0.378 7.299) 9.886 22.499 ( 8.761 -3.922 0.309) 9.603 23.307 ( 0.636 -0.854 21.121) 21.148 23.926 ( 0.568 -4.381 -35.478) 35.752 26.832 ( 9.648 1.582 7.986) 12.624 26.942 ( 9.416 -0.242 -2.877) 9.849 ======================= Grid point 546 (184/192) ======================= q-point: (-0.47 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( -17.244 19.766 6.180) 26.949 4.394 ( -9.077 9.700 -15.128) 20.133 4.976 ( -8.765 20.983 7.347) 23.898 5.232 ( -4.962 17.660 -16.085) 24.398 6.296 ( -3.514 5.650 12.279) 13.965 6.474 ( -7.733 -0.403 -1.241) 7.842 6.669 ( -15.105 -10.993 8.194) 20.400 6.905 ( -14.121 -2.143 -7.210) 15.999 7.322 ( 3.543 -7.250 24.277) 25.582 7.530 ( -9.256 -20.848 -1.321) 22.848 7.625 ( -4.281 -13.911 6.406) 15.902 7.950 ( 0.025 8.181 -7.089) 10.825 8.389 ( -10.590 6.014 -0.192) 12.180 8.473 ( -14.936 29.460 -3.960) 33.266 8.968 ( -21.978 -3.683 1.051) 22.309 9.108 ( -22.511 2.973 -8.690) 24.312 9.567 ( -18.380 5.333 6.254) 20.134 9.742 ( -16.321 -10.128 -7.970) 20.796 10.720 ( -4.915 5.459 15.890) 17.506 10.970 ( 2.531 -5.360 0.512) 5.949 11.241 ( -5.260 -2.728 2.845) 6.572 11.552 ( 3.566 -15.031 -18.719) 24.271 12.243 ( -9.725 -15.018 10.203) 20.597 12.355 ( -31.196 4.029 -1.605) 31.497 12.541 ( -13.785 -0.938 7.739) 15.837 12.829 ( 3.067 -11.485 -12.865) 17.517 13.410 ( 5.785 3.478 7.979) 10.451 13.545 ( 1.979 -4.747 -2.156) 5.577 13.729 ( -0.981 6.757 7.595) 10.213 13.928 ( -2.117 2.913 -8.000) 8.774 14.279 ( 7.384 -8.636 6.538) 13.109 14.474 ( 9.424 -16.384 -10.697) 21.718 16.679 ( 15.529 17.126 8.336) 24.575 16.823 ( 16.288 15.677 -5.200) 23.197 17.384 ( 10.771 -3.001 3.893) 11.840 17.468 ( 9.092 -1.098 -3.903) 9.955 17.566 ( -3.291 7.021 3.304) 8.429 17.612 ( -0.108 10.268 -0.863) 10.305 18.828 ( -5.644 -13.650 15.692) 21.550 19.251 ( -0.132 -5.729 -24.091) 24.763 20.910 ( -12.538 1.723 6.809) 14.371 21.034 ( -13.629 0.653 -5.665) 14.774 22.558 ( 6.682 -3.776 18.894) 20.394 22.716 ( 10.848 -2.959 -0.096) 11.245 23.287 ( -3.665 -0.850 18.277) 18.660 23.946 ( -2.635 -6.882 -39.423) 40.106 26.962 ( 6.159 2.634 8.666) 10.953 27.097 ( 6.750 -1.228 -4.386) 8.143 ======================= Grid point 547 (185/192) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -4.045 22.026 22.544) 31.777 4.302 ( 6.673 13.261 -19.649) 24.626 4.595 ( -13.599 24.631 8.958) 29.528 4.968 ( -11.376 15.719 -21.330) 28.835 6.194 ( -2.137 5.300 10.205) 11.696 6.317 ( -6.826 -2.498 2.237) 7.605 6.528 ( -9.993 -5.045 1.292) 11.269 6.699 ( -8.203 -3.546 -9.707) 13.194 7.353 ( -2.427 9.665 23.009) 25.075 7.558 ( -7.882 -9.762 13.587) 18.494 7.611 ( 2.135 -0.810 -2.044) 3.065 7.808 ( -8.871 4.691 -5.325) 11.360 8.063 ( -2.904 12.176 1.034) 12.560 8.243 ( 1.603 7.311 -10.546) 12.932 8.587 ( -20.870 -3.366 3.109) 21.367 8.845 ( -11.688 -5.749 -18.164) 22.352 9.265 ( -9.541 -2.889 20.884) 23.141 9.614 ( -7.678 -16.304 -11.652) 21.460 10.620 ( -1.436 7.286 19.754) 21.104 11.017 ( 1.198 2.787 -16.208) 16.490 11.334 ( 3.715 -20.475 19.533) 28.540 11.717 ( -4.982 -2.237 -9.066) 10.584 11.811 ( -19.845 6.789 -0.449) 20.979 11.878 ( -11.202 -10.561 -12.324) 19.721 12.668 ( 4.817 -16.020 16.929) 23.800 13.009 ( 4.327 -10.835 -11.571) 16.432 13.450 ( 1.308 1.307 9.874) 10.045 13.532 ( -3.035 -1.994 5.145) 6.297 13.752 ( 3.672 0.989 0.087) 3.804 13.911 ( 1.637 1.967 -9.374) 9.717 14.492 ( 6.729 -11.352 11.663) 17.612 14.781 ( 9.014 -17.673 -13.234) 23.848 16.786 ( 10.712 19.011 8.129) 23.287 16.960 ( 12.347 15.483 -8.516) 21.557 17.352 ( -11.001 1.997 5.730) 12.563 17.469 ( -8.921 4.593 -4.299) 10.916 17.644 ( 9.134 -2.010 0.226) 9.355 17.650 ( 8.124 -4.224 -0.977) 9.208 18.879 ( 2.076 -5.768 18.411) 19.404 19.346 ( 7.438 3.543 -25.367) 26.671 20.626 ( -15.342 0.863 6.758) 16.787 20.780 ( -11.764 0.261 -7.659) 14.039 22.742 ( 9.130 -5.629 31.296) 33.083 22.911 ( 7.757 -1.084 2.191) 8.134 23.185 ( -7.594 -0.903 13.042) 15.119 23.943 ( -3.448 -9.925 -45.419) 46.619 27.024 ( 2.942 3.419 10.317) 11.260 27.205 ( 3.669 -1.639 -7.003) 8.074 ======================= Grid point 548 (186/192) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 0.000 21.990 34.664) 41.051 4.178 ( 0.000 26.547 22.424) 34.750 4.403 ( 0.000 17.784 -37.075) 41.120 4.669 ( 0.000 15.401 -24.280) 28.753 6.149 ( 0.000 2.172 8.865) 9.127 6.335 ( 0.000 0.523 -8.863) 8.878 6.341 ( 0.000 6.326 15.614) 16.847 6.646 ( -0.000 -2.769 -10.740) 11.092 7.116 ( 0.000 35.393 19.196) 40.263 7.500 ( 0.000 27.433 -16.341) 31.931 7.520 ( -0.000 -8.385 16.975) 18.933 7.800 ( -0.000 -18.326 -9.876) 20.818 8.193 ( -0.000 -19.905 6.226) 20.856 8.271 ( 0.000 3.824 16.056) 16.505 8.342 ( -0.000 -8.071 -7.734) 11.178 8.733 ( -0.000 -0.822 -23.662) 23.676 9.253 ( -0.000 -13.889 25.275) 28.840 9.674 ( -0.000 -20.227 -14.690) 24.999 10.553 ( 0.000 8.196 22.798) 24.227 11.011 ( 0.000 2.952 -19.039) 19.267 11.521 ( 0.000 8.991 1.746) 9.159 11.551 ( -0.000 -24.780 21.368) 32.721 11.558 ( 0.000 9.417 -1.644) 9.560 12.001 ( -0.000 -19.407 -19.449) 27.475 12.806 ( -0.000 -9.381 11.189) 14.601 13.093 ( -0.000 -0.052 -13.718) 13.718 13.482 ( -0.000 -7.224 10.511) 12.754 13.525 ( -0.000 -7.451 7.509) 10.578 13.796 ( -0.000 -2.530 -0.223) 2.540 13.928 ( -0.000 -0.317 -8.030) 8.036 14.654 ( -0.000 -14.924 16.812) 22.481 14.998 ( -0.000 -16.807 -11.751) 20.507 16.779 ( 0.000 19.382 10.714) 22.146 17.035 ( 0.000 13.169 -12.900) 18.434 17.211 ( -0.000 -0.689 4.546) 4.598 17.314 ( -0.000 -0.500 -5.041) 5.065 17.740 ( -0.000 -2.229 0.307) 2.250 17.759 ( -0.000 -0.034 -0.894) 0.895 18.928 ( -0.000 -1.964 16.872) 16.986 19.380 ( 0.000 10.450 -25.757) 27.796 20.452 ( -0.000 -0.464 9.748) 9.759 20.661 ( -0.000 -0.472 -9.739) 9.750 22.921 ( -0.000 -8.408 51.604) 52.284 22.987 ( 0.000 0.278 4.233) 4.242 23.072 ( 0.000 0.239 -3.736) 3.743 23.987 ( -0.000 -12.542 -49.537) 51.100 27.024 ( 0.000 4.255 12.040) 12.770 27.250 ( -0.000 -0.976 -9.616) 9.665 ======================= Grid point 559 (187/192) ======================= q-point: (-0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( -15.485 0.000 0.499) 15.493 4.830 ( -23.901 0.000 -11.730) 26.624 5.410 ( -12.313 0.000 2.112) 12.493 5.541 ( -3.973 0.000 -10.660) 11.376 6.475 ( -3.804 0.000 6.734) 7.734 6.589 ( -9.252 0.000 -3.453) 9.876 6.817 ( -12.482 0.000 14.770) 19.338 6.994 ( -0.097 0.000 -2.929) 2.930 7.220 ( 2.509 -0.000 41.482) 41.558 7.393 ( -8.803 0.000 0.586) 8.823 7.534 ( -9.233 0.000 -11.780) 14.967 8.030 ( 1.967 -0.000 -33.317) 33.375 8.664 ( -15.123 0.000 17.561) 23.175 8.828 ( -13.835 0.000 0.814) 13.859 9.548 ( -5.065 0.000 7.210) 8.812 9.657 ( -10.838 0.000 -2.949) 11.232 9.845 ( -22.406 0.000 -2.845) 22.585 9.937 ( -22.616 0.000 -11.736) 25.480 10.953 ( -19.983 0.000 11.464) 23.038 11.213 ( -12.671 0.000 -8.605) 15.317 11.413 ( -20.700 0.000 2.889) 20.901 11.460 ( -13.685 0.000 -0.338) 13.689 11.856 ( 5.044 -0.000 19.499) 20.141 12.400 ( 9.493 -0.000 -23.423) 25.274 13.079 ( -28.774 0.000 3.093) 28.940 13.171 ( -11.647 0.000 -2.942) 12.013 13.296 ( 0.572 -0.000 3.818) 3.861 13.366 ( 5.461 -0.000 0.285) 5.469 13.944 ( 9.780 -0.000 2.036) 9.990 14.050 ( -13.708 0.000 -1.046) 13.748 14.145 ( -11.015 0.000 -0.342) 11.021 14.151 ( -5.878 0.000 -4.181) 7.213 16.527 ( 20.580 -0.000 7.686) 21.968 16.609 ( 21.152 -0.000 0.406) 21.156 17.223 ( 6.308 -0.000 3.140) 7.046 17.336 ( 4.510 -0.000 -7.315) 8.594 17.580 ( 9.772 -0.000 8.142) 12.720 17.734 ( 7.012 -0.000 -6.667) 9.675 18.822 ( -14.908 0.000 17.135) 22.712 19.250 ( -10.003 0.000 -23.385) 25.435 21.103 ( -5.736 0.000 10.348) 11.831 21.246 ( -8.270 0.000 -4.602) 9.464 22.441 ( 3.554 -0.000 4.535) 5.761 22.459 ( 11.384 -0.000 2.025) 11.562 23.302 ( 0.836 -0.000 19.970) 19.987 23.895 ( 0.506 -0.000 -34.395) 34.398 26.843 ( 9.867 -0.000 7.334) 12.294 26.939 ( 8.885 -0.000 -2.180) 9.149 ======================= Grid point 561 (188/192) ======================= q-point: (-0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.369 ( -18.420 9.149 0.549) 20.574 4.472 ( -8.093 1.464 -9.694) 12.713 5.190 ( -9.639 8.039 5.613) 13.749 5.430 ( -6.472 8.337 -16.690) 19.747 6.393 ( -3.251 7.543 6.139) 10.255 6.456 ( -11.734 -1.794 9.417) 15.152 6.535 ( -11.117 -7.577 7.817) 15.560 6.888 ( -12.504 -0.355 -10.789) 16.519 7.240 ( 2.287 -3.249 21.034) 21.406 7.285 ( -8.179 -11.106 0.901) 13.822 7.462 ( -1.512 -6.376 6.452) 9.196 8.070 ( 3.242 6.012 -25.689) 26.581 8.412 ( -12.367 -1.021 18.234) 22.056 8.635 ( -9.201 -1.098 -1.267) 9.352 9.092 ( -25.935 15.258 2.788) 30.220 9.192 ( -27.018 3.589 -6.145) 27.940 9.616 ( -13.350 -1.078 -3.092) 13.746 9.629 ( -16.229 -3.022 -3.579) 16.892 10.796 ( 1.825 0.952 19.441) 19.550 10.962 ( -8.201 11.643 5.259) 15.181 11.197 ( -12.627 -11.628 -4.685) 17.793 11.349 ( 3.524 -7.733 -20.283) 21.991 12.022 ( 4.687 -9.995 25.495) 27.782 12.394 ( -27.428 1.349 -4.960) 27.905 12.578 ( -23.415 4.469 -2.227) 23.942 12.677 ( -4.132 -8.623 -9.223) 13.285 13.460 ( 6.186 2.834 2.836) 7.372 13.497 ( 4.678 -2.454 0.072) 5.283 13.846 ( -2.241 7.246 7.365) 10.572 13.986 ( -1.697 3.886 -5.512) 6.954 14.187 ( 8.830 -2.765 -2.040) 9.475 14.263 ( 8.831 -12.160 -8.431) 17.231 16.865 ( 17.323 7.771 9.055) 21.035 16.996 ( 20.323 7.465 -2.946) 21.850 17.327 ( 5.188 -3.485 2.852) 6.870 17.418 ( 4.042 -3.282 -5.706) 7.725 17.645 ( -3.779 3.017 4.603) 6.676 17.730 ( -6.047 4.734 -3.581) 8.474 18.687 ( 0.006 -5.422 21.480) 22.154 19.199 ( 4.764 -1.763 -26.795) 27.273 20.929 ( -12.926 0.771 6.747) 14.602 21.040 ( -13.520 0.159 -4.612) 14.286 22.524 ( 5.876 -1.121 17.765) 18.745 22.683 ( 11.985 -1.315 -0.340) 12.061 23.280 ( -3.402 -0.156 15.962) 16.321 23.880 ( -2.925 -2.316 -37.063) 37.250 26.991 ( 6.485 1.226 6.553) 9.300 27.078 ( 5.907 -1.044 -2.082) 6.349 ======================= Grid point 562 (189/192) ======================= q-point: (-0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 563 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( -6.290 12.815 18.971) 23.742 4.448 ( 8.485 7.029 -17.371) 20.571 4.884 ( -14.353 14.879 4.622) 21.184 5.151 ( -16.192 9.670 -19.341) 27.014 6.238 ( -5.609 -4.685 16.940) 18.450 6.299 ( -3.487 5.980 6.569) 9.542 6.481 ( -4.604 -0.579 -5.567) 7.248 6.684 ( -6.449 0.219 -17.943) 19.068 7.251 ( -4.315 -14.336 7.602) 16.791 7.361 ( 0.941 -15.463 -0.583) 15.503 7.502 ( 1.897 -3.605 27.700) 27.998 8.003 ( -3.215 12.324 4.639) 13.555 8.244 ( -7.049 -1.167 -9.751) 12.089 8.400 ( -10.647 15.088 -5.266) 19.202 8.614 ( -14.768 6.326 6.280) 17.249 8.800 ( -11.946 1.540 -10.246) 15.813 9.327 ( -10.070 9.632 5.173) 14.864 9.444 ( -8.369 -7.846 -5.660) 12.792 10.733 ( -2.138 9.270 16.633) 19.162 10.966 ( 2.718 -10.308 5.475) 11.984 11.123 ( -2.169 -9.385 1.196) 9.706 11.538 ( 5.347 -14.372 -24.394) 28.814 11.864 ( -19.883 2.383 1.760) 20.102 11.889 ( -19.655 3.922 -1.080) 20.072 12.425 ( 3.500 -14.318 25.359) 29.332 12.824 ( 3.950 -11.650 -6.291) 13.816 13.510 ( 1.607 2.746 2.095) 3.809 13.542 ( 0.956 2.671 0.379) 2.862 13.805 ( 1.849 6.197 2.493) 6.931 13.958 ( 1.171 3.811 -8.878) 9.732 14.366 ( 6.471 -6.200 3.548) 9.639 14.542 ( 8.941 -14.971 -13.327) 21.947 17.025 ( 9.117 13.877 8.185) 18.512 17.166 ( 8.431 13.117 -5.368) 16.491 17.364 ( -10.380 -0.469 4.871) 11.475 17.495 ( -9.693 -1.543 -7.287) 12.224 17.577 ( 2.861 -4.593 0.339) 5.422 17.597 ( 6.930 -3.947 -0.724) 8.008 18.829 ( 8.759 -1.800 25.312) 26.846 19.392 ( 13.342 2.578 -27.878) 31.013 20.638 ( -16.273 0.657 6.315) 17.468 20.783 ( -12.367 0.180 -7.278) 14.351 22.682 ( 9.059 -2.812 31.679) 33.069 22.896 ( 9.206 -0.816 1.474) 9.359 23.179 ( -7.286 -0.181 9.497) 11.971 23.834 ( -4.220 -5.242 -42.506) 43.036 27.065 ( 3.079 2.416 7.171) 8.169 27.174 ( 3.102 -2.358 -3.346) 5.136 ======================= Grid point 563 (190/192) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 0.000 15.689 32.134) 35.760 4.521 ( 0.000 21.139 12.193) 24.403 4.627 ( 0.000 13.046 -34.902) 37.261 4.828 ( 0.000 6.967 -17.322) 18.671 6.214 ( 0.000 6.781 7.042) 9.776 6.286 ( -0.000 -8.720 14.811) 17.188 6.372 ( 0.000 4.588 -8.004) 9.225 6.630 ( 0.000 0.933 -16.893) 16.919 7.330 ( -0.000 -17.042 10.162) 19.842 7.488 ( -0.000 -22.580 -5.418) 23.220 7.494 ( 0.000 13.997 31.012) 34.025 7.958 ( 0.000 32.032 -11.880) 34.164 8.001 ( -0.000 -7.445 14.485) 16.286 8.298 ( -0.000 -0.333 -13.086) 13.090 8.401 ( 0.000 12.452 8.329) 14.981 8.702 ( -0.000 -2.784 -19.692) 19.888 9.176 ( 0.000 4.358 16.008) 16.591 9.440 ( -0.000 -12.275 -8.696) 15.044 10.662 ( 0.000 7.006 19.261) 20.496 11.035 ( -0.000 -2.307 -13.753) 13.945 11.225 ( -0.000 -18.523 18.133) 25.921 11.624 ( 0.000 5.446 1.989) 5.798 11.666 ( 0.000 5.720 -1.870) 6.018 11.713 ( -0.000 -19.382 -24.878) 31.537 12.592 ( -0.000 -18.113 24.137) 30.178 12.954 ( -0.000 -13.977 -5.129) 14.888 13.497 ( 0.000 5.169 2.577) 5.776 13.516 ( 0.000 3.783 4.306) 5.732 13.797 ( 0.000 2.643 0.504) 2.691 13.950 ( 0.000 2.984 -9.467) 9.926 14.485 ( -0.000 -9.091 8.163) 12.218 14.750 ( -0.000 -17.109 -15.680) 23.207 17.034 ( 0.000 16.036 8.801) 18.293 17.203 ( -0.000 -0.471 4.650) 4.674 17.221 ( 0.000 12.706 -9.072) 15.612 17.308 ( -0.000 -0.342 -5.151) 5.163 17.671 ( -0.000 -6.513 0.932) 6.579 17.726 ( -0.000 -4.660 -3.161) 5.631 18.925 ( 0.000 0.991 25.938) 25.957 19.513 ( 0.000 7.713 -29.753) 30.737 20.447 ( -0.000 -0.313 9.751) 9.756 20.655 ( -0.000 -0.319 -9.727) 9.732 22.829 ( -0.000 -4.644 48.231) 48.454 22.991 ( 0.000 0.187 4.208) 4.212 23.075 ( 0.000 0.161 -3.717) 3.720 23.837 ( -0.000 -8.397 -47.151) 47.892 27.074 ( 0.000 2.960 8.774) 9.260 27.222 ( -0.000 -2.635 -5.400) 6.009 ======================= Grid point 576 (191/192) ======================= q-point: (-0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.145 ( -7.407 0.000 17.583) 19.080 4.499 ( 9.471 -0.000 -16.649) 19.154 4.993 ( -14.218 0.000 2.684) 14.469 5.225 ( -19.425 0.000 -19.424) 27.471 6.188 ( -6.510 0.000 23.027) 23.929 6.369 ( -2.816 0.000 4.072) 4.951 6.480 ( -0.460 0.000 -5.063) 5.084 6.685 ( -5.771 0.000 -20.887) 21.669 7.129 ( -5.141 0.000 5.134) 7.266 7.235 ( -2.442 0.000 -4.095) 4.768 7.480 ( 6.126 -0.000 33.146) 33.707 8.131 ( -15.414 0.000 23.153) 27.815 8.175 ( 5.022 -0.000 -28.655) 29.092 8.476 ( -8.350 0.000 -3.414) 9.021 8.706 ( -19.373 0.000 1.726) 19.449 8.827 ( -11.896 0.000 -0.158) 11.897 9.388 ( -8.397 0.000 -2.635) 8.800 9.426 ( -7.221 0.000 -3.802) 8.161 10.844 ( -6.401 0.000 4.060) 7.580 10.909 ( 4.458 -0.000 25.847) 26.228 10.963 ( -4.276 0.000 -6.139) 7.481 11.437 ( 6.269 -0.000 -22.075) 22.948 11.883 ( -16.892 0.000 2.858) 17.132 11.918 ( -19.905 0.000 -1.111) 19.936 12.321 ( 1.151 -0.000 24.271) 24.298 12.733 ( 4.391 -0.000 -5.948) 7.393 13.525 ( 0.977 -0.000 2.701) 2.872 13.565 ( 3.114 -0.000 -3.070) 4.373 13.870 ( 0.785 -0.000 3.141) 3.238 13.991 ( 0.624 -0.000 -8.077) 8.101 14.327 ( 5.960 -0.000 -1.474) 6.140 14.410 ( 9.958 -0.000 -11.504) 15.215 17.139 ( 8.065 -0.000 9.624) 12.557 17.314 ( 6.125 -0.000 -7.041) 9.332 17.320 ( -5.025 0.000 5.420) 7.391 17.460 ( -1.216 0.000 -7.784) 7.879 17.533 ( -2.810 0.000 1.367) 3.125 17.573 ( -2.146 0.000 -1.586) 2.668 18.817 ( 11.136 -0.000 27.577) 29.740 19.411 ( 15.210 -0.000 -28.607) 32.399 20.643 ( -16.649 0.000 6.105) 17.733 20.784 ( -12.576 0.000 -7.112) 14.448 22.662 ( 9.033 -0.000 31.347) 32.622 22.890 ( 9.815 -0.000 1.175) 9.885 23.178 ( -7.223 0.000 8.549) 11.192 23.796 ( -4.561 0.000 -41.283) 41.534 27.087 ( 3.299 -0.000 5.254) 6.203 27.152 ( 2.748 -0.000 -1.302) 3.041 ======================= Grid point 578 (192/192) ======================= q-point: (-0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( 0.000 5.727 30.865) 31.392 4.757 ( 0.000 4.758 -33.626) 33.961 4.762 ( 0.000 12.122 0.908) 12.156 4.865 ( -0.000 -1.868 -9.429) 9.613 6.180 ( -0.000 -4.546 20.167) 20.673 6.319 ( 0.000 5.985 5.137) 7.887 6.444 ( 0.000 3.864 -6.773) 7.797 6.651 ( 0.000 1.272 -23.918) 23.952 7.113 ( -0.000 -10.079 6.615) 12.055 7.227 ( -0.000 -11.485 -4.275) 12.255 7.583 ( 0.000 1.622 37.206) 37.241 7.945 ( -0.000 -1.465 18.871) 18.928 8.271 ( 0.000 9.675 -25.120) 26.919 8.301 ( 0.000 0.264 -14.748) 14.751 8.520 ( 0.000 3.843 14.137) 14.650 8.707 ( 0.000 2.723 -3.248) 4.239 9.321 ( 0.000 10.159 -1.198) 10.229 9.325 ( -0.000 -3.932 -3.006) 4.949 10.754 ( 0.000 5.440 9.940) 11.331 10.933 ( -0.000 -4.904 3.753) 6.176 11.031 ( -0.000 -12.598 9.330) 15.676 11.526 ( -0.000 -5.429 -23.753) 24.365 11.676 ( 0.000 1.824 2.118) 2.795 11.720 ( 0.000 1.918 -1.989) 2.763 12.389 ( -0.000 -8.059 29.331) 30.418 12.797 ( -0.000 -6.462 -3.053) 7.147 13.529 ( 0.000 1.061 3.318) 3.484 13.585 ( 0.000 2.598 -3.581) 4.424 13.861 ( 0.000 4.581 1.338) 4.773 13.993 ( 0.000 2.110 -9.178) 9.418 14.397 ( -0.000 -2.957 1.306) 3.232 14.547 ( -0.000 -9.403 -14.887) 17.608 17.198 ( -0.000 -0.167 4.708) 4.711 17.215 ( 0.000 8.094 8.835) 11.982 17.304 ( -0.000 -0.121 -5.212) 5.213 17.384 ( 0.000 9.149 -7.496) 11.828 17.568 ( -0.000 -6.962 1.629) 7.150 17.650 ( -0.000 -4.536 -4.528) 6.409 18.940 ( 0.000 0.724 30.040) 30.048 19.590 ( 0.000 2.778 -31.621) 31.743 20.444 ( -0.000 -0.110 9.752) 9.753 20.652 ( -0.000 -0.113 -9.721) 9.721 22.786 ( -0.000 -1.473 46.068) 46.091 22.992 ( 0.000 0.066 4.194) 4.194 23.077 ( 0.000 0.057 -3.707) 3.707 23.754 ( -0.000 -2.988 -45.497) 45.595 27.110 ( 0.000 1.853 5.561) 5.862 27.185 ( -0.000 -2.014 -1.857) 2.739 =================== 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 3/54000 10.0 2729.849 40490.321 1076.852 0.000 0.000 0.000 3/54000 20.0 4129.353 10717.690 3401.595 0.000 0.000 0.000 3/54000 30.0 1816.973 3031.363 1672.314 0.000 0.000 0.000 3/54000 40.0 782.213 1050.633 681.197 0.000 0.000 0.000 3/54000 50.0 389.298 476.509 337.726 0.000 0.000 0.000 3/54000 60.0 226.098 265.132 199.382 0.000 0.000 0.000 3/54000 70.0 147.011 169.252 132.545 0.000 0.000 0.000 3/54000 80.0 103.707 118.644 95.523 0.000 0.000 0.000 3/54000 90.0 77.767 88.859 72.919 0.000 0.000 0.000 3/54000 100.0 61.123 69.862 58.103 0.000 0.000 0.000 3/54000 110.0 49.842 56.979 47.851 0.000 0.000 0.000 3/54000 120.0 41.842 47.814 40.448 0.000 0.000 0.000 3/54000 130.0 35.952 41.036 34.914 0.000 0.000 0.000 3/54000 140.0 31.473 35.865 30.654 0.000 0.000 0.000 3/54000 150.0 27.974 31.813 27.296 0.000 0.000 0.000 3/54000 160.0 25.177 28.568 24.593 0.000 0.000 0.000 3/54000 170.0 22.894 25.920 22.377 0.000 0.000 0.000 3/54000 180.0 21.000 23.722 20.534 0.000 0.000 0.000 3/54000 190.0 19.405 21.873 18.978 0.000 0.000 0.000 3/54000 200.0 18.043 20.298 17.650 0.000 0.000 0.000 3/54000 210.0 16.868 18.941 16.503 0.000 0.000 0.000 3/54000 220.0 15.843 17.760 15.505 0.000 0.000 0.000 3/54000 230.0 14.942 16.724 14.627 0.000 0.000 0.000 3/54000 240.0 14.142 15.808 13.850 0.000 0.000 0.000 3/54000 250.0 13.429 14.992 13.157 0.000 0.000 0.000 3/54000 260.0 12.788 14.260 12.535 0.000 0.000 0.000 3/54000 270.0 12.208 13.600 11.974 0.000 0.000 0.000 3/54000 280.0 11.682 13.002 11.465 0.000 0.000 0.000 3/54000 290.0 11.202 12.458 11.000 0.000 0.000 0.000 3/54000 300.0 10.762 11.960 10.575 0.000 0.000 0.000 3/54000 310.0 10.356 11.502 10.184 0.000 0.000 0.000 3/54000 320.0 9.982 11.081 9.824 0.000 0.000 0.000 3/54000 330.0 9.636 10.690 9.489 0.000 0.000 0.000 3/54000 340.0 9.314 10.328 9.179 0.000 0.000 0.000 3/54000 350.0 9.013 9.991 8.890 0.000 0.000 0.000 3/54000 360.0 8.733 9.677 8.619 0.000 0.000 0.000 3/54000 370.0 8.470 9.383 8.366 0.000 0.000 0.000 3/54000 380.0 8.223 9.107 8.128 0.000 0.000 0.000 3/54000 390.0 7.991 8.847 7.904 0.000 0.000 0.000 3/54000 400.0 7.772 8.603 7.693 0.000 0.000 0.000 3/54000 410.0 7.566 8.373 7.494 0.000 0.000 0.000 3/54000 420.0 7.370 8.155 7.305 0.000 0.000 0.000 3/54000 430.0 7.185 7.948 7.126 0.000 0.000 0.000 3/54000 440.0 7.009 7.753 6.956 0.000 0.000 0.000 3/54000 450.0 6.842 7.567 6.794 0.000 0.000 0.000 3/54000 460.0 6.683 7.390 6.640 0.000 0.000 0.000 3/54000 470.0 6.531 7.221 6.493 0.000 0.000 0.000 3/54000 480.0 6.386 7.061 6.353 0.000 0.000 0.000 3/54000 490.0 6.248 6.907 6.219 0.000 0.000 0.000 3/54000 500.0 6.116 6.761 6.091 0.000 0.000 0.000 3/54000 510.0 5.990 6.620 5.968 0.000 0.000 0.000 3/54000 520.0 5.868 6.486 5.850 0.000 0.000 0.000 3/54000 530.0 5.752 6.357 5.737 0.000 0.000 0.000 3/54000 540.0 5.640 6.233 5.628 0.000 0.000 0.000 3/54000 550.0 5.533 6.114 5.523 0.000 0.000 0.000 3/54000 560.0 5.430 6.000 5.423 0.000 0.000 0.000 3/54000 570.0 5.330 5.890 5.326 0.000 0.000 0.000 3/54000 580.0 5.235 5.784 5.232 0.000 0.000 0.000 3/54000 590.0 5.142 5.682 5.142 0.000 0.000 0.000 3/54000 600.0 5.053 5.583 5.055 0.000 0.000 0.000 3/54000 610.0 4.968 5.488 4.971 0.000 0.000 0.000 3/54000 620.0 4.885 5.397 4.889 0.000 0.000 0.000 3/54000 630.0 4.804 5.308 4.811 0.000 0.000 0.000 3/54000 640.0 4.727 5.222 4.735 0.000 0.000 0.000 3/54000 650.0 4.652 5.139 4.661 0.000 0.000 0.000 3/54000 660.0 4.579 5.059 4.590 0.000 0.000 0.000 3/54000 670.0 4.509 4.981 4.521 0.000 0.000 0.000 3/54000 680.0 4.441 4.906 4.453 0.000 0.000 0.000 3/54000 690.0 4.375 4.832 4.388 0.000 0.000 0.000 3/54000 700.0 4.310 4.761 4.325 0.000 0.000 0.000 3/54000 710.0 4.248 4.693 4.264 0.000 0.000 0.000 3/54000 720.0 4.188 4.626 4.204 0.000 0.000 0.000 3/54000 730.0 4.129 4.561 4.146 0.000 0.000 0.000 3/54000 740.0 4.072 4.498 4.090 0.000 0.000 0.000 3/54000 750.0 4.016 4.436 4.035 0.000 0.000 0.000 3/54000 760.0 3.962 4.377 3.981 0.000 0.000 0.000 3/54000 770.0 3.910 4.319 3.929 0.000 0.000 0.000 3/54000 780.0 3.858 4.262 3.879 0.000 0.000 0.000 3/54000 790.0 3.808 4.207 3.829 0.000 0.000 0.000 3/54000 800.0 3.760 4.153 3.781 0.000 0.000 0.000 3/54000 810.0 3.713 4.101 3.735 0.000 0.000 0.000 3/54000 820.0 3.666 4.050 3.689 0.000 0.000 0.000 3/54000 830.0 3.621 4.000 3.644 0.000 0.000 0.000 3/54000 840.0 3.578 3.952 3.601 0.000 0.000 0.000 3/54000 850.0 3.535 3.904 3.558 0.000 0.000 0.000 3/54000 860.0 3.493 3.858 3.517 0.000 0.000 0.000 3/54000 870.0 3.452 3.813 3.476 0.000 0.000 0.000 3/54000 880.0 3.412 3.769 3.437 0.000 0.000 0.000 3/54000 890.0 3.373 3.726 3.398 0.000 0.000 0.000 3/54000 900.0 3.335 3.684 3.360 0.000 0.000 0.000 3/54000 910.0 3.298 3.643 3.323 0.000 0.000 0.000 3/54000 920.0 3.262 3.603 3.287 0.000 0.000 0.000 3/54000 930.0 3.226 3.564 3.251 0.000 0.000 0.000 3/54000 940.0 3.191 3.525 3.217 0.000 0.000 0.000 3/54000 950.0 3.157 3.488 3.183 0.000 0.000 0.000 3/54000 960.0 3.124 3.451 3.150 0.000 0.000 0.000 3/54000 970.0 3.091 3.415 3.117 0.000 0.000 0.000 3/54000 980.0 3.059 3.379 3.085 0.000 0.000 0.000 3/54000 990.0 3.028 3.345 3.054 0.000 0.000 0.000 3/54000 1000.0 2.997 3.311 3.023 0.000 0.000 0.000 3/54000 Thermal conductivity related properties were written into "kappa-m15155.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:36:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|